----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:44:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.496568980004445 -5.418164024999999 0.000000000000000 b 3.496568980004445 5.418164024999999 0.000000000000000 c -3.367048721125919 0.000000000000000 3.782642661514514 Atomic positions (fractional): *1 O 0.28044407874988 0.21909953735912 0.21303999180097 15.999 2 O 0.78090046264088 0.71955592125012 0.28696000819903 15.999 3 O 0.71955592125012 0.78090046264088 0.78696000819903 15.999 4 O 0.21909953735912 0.28044407874988 0.71303999180097 15.999 *5 O 0.04979804641528 0.62336535278032 0.83870888962449 15.999 6 O 0.37663464721968 0.95020195358472 0.66129111037551 15.999 7 O 0.95020195358472 0.37663464721968 0.16129111037551 15.999 8 O 0.62336535278032 0.04979804641528 0.33870888962449 15.999 *9 Nb 0.10686325856619 0.89313674143381 0.75000000000000 92.906 10 Nb 0.89313674143381 0.10686325856619 0.25000000000000 92.906 *11 Er 0.62887530981930 0.37112469018070 0.75000000000000 167.259 12 Er 0.37112469018070 0.62887530981930 0.25000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.993137960008889 0.000000000000000 0.000000000000000 b 0.000000000000000 10.836328049999999 0.000000000000000 c -3.367048721125919 0.000000000000000 3.782642661514514 Atomic positions (fractional): *1 O 0.24977180805450 0.96932772930462 0.21303999180097 15.999 > 1 2 O 0.75022819194550 0.96932772930462 0.28696000819903 15.999 > 2 3 O 0.25022819194550 0.53067227069538 0.78696000819903 15.999 > 3 4 O 0.74977180805450 0.53067227069538 0.71303999180097 15.999 > 4 *5 O 0.83658169959780 0.78678365318252 0.83870888962449 15.999 > 5 6 O 0.16341830040220 0.78678365318252 0.66129111037551 15.999 > 6 7 O 0.66341830040220 0.71321634681748 0.16129111037551 15.999 > 7 8 O 0.33658169959780 0.71321634681748 0.33870888962449 15.999 > 8 9 O 0.74977180805450 0.46932772930462 0.21303999180097 15.999 > 1 10 O 0.25022819194550 0.46932772930462 0.28696000819903 15.999 > 2 11 O 0.75022819194550 0.03067227069538 0.78696000819903 15.999 > 3 12 O 0.24977180805450 0.03067227069538 0.71303999180097 15.999 > 4 13 O 0.33658169959780 0.28678365318252 0.83870888962449 15.999 > 5 14 O 0.66341830040220 0.28678365318252 0.66129111037551 15.999 > 6 15 O 0.16341830040220 0.21321634681748 0.16129111037551 15.999 > 7 16 O 0.83658169959780 0.21321634681748 0.33870888962449 15.999 > 8 *17 Nb 0.00000000000000 0.89313674143381 0.75000000000000 92.906 > 9 18 Nb 0.50000000000000 0.60686325856619 0.25000000000000 92.906 > 10 19 Nb 0.50000000000000 0.39313674143381 0.75000000000000 92.906 > 9 20 Nb 0.00000000000000 0.10686325856619 0.25000000000000 92.906 > 10 *21 Er 0.50000000000000 0.87112469018070 0.75000000000000 167.259 > 11 22 Er 0.00000000000000 0.62887530981930 0.25000000000000 167.259 > 12 23 Er 0.00000000000000 0.37112469018069 0.75000000000000 167.259 > 11 24 Er 0.50000000000000 0.12887530981931 0.25000000000000 167.259 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.986275920017778 0.000000000000000 0.000000000000000 b 0.000000000000000 10.836328049999999 0.000000000000000 c -10.101146163377758 0.000000000000000 11.347927984543542 Atomic positions (fractional): *1 O 0.12488590402725 0.96932772930462 0.07101333060032 15.999 > 1 2 O 0.62488590402725 0.96932772930462 0.07101333060032 15.999 > 1 3 O 0.12488590402725 0.96932772930462 0.40434666393366 15.999 > 1 4 O 0.62488590402725 0.96932772930462 0.40434666393366 15.999 > 1 5 O 0.12488590402725 0.96932772930462 0.73767999726699 15.999 > 1 6 O 0.62488590402725 0.96932772930462 0.73767999726699 15.999 > 1 7 O 0.37511409597275 0.96932772930462 0.09565333606634 15.999 > 2 8 O 0.87511409597275 0.96932772930462 0.09565333606634 15.999 > 2 9 O 0.37511409597275 0.96932772930462 0.42898666939968 15.999 > 2 10 O 0.87511409597275 0.96932772930462 0.42898666939968 15.999 > 2 11 O 0.37511409597275 0.96932772930462 0.76232000273301 15.999 > 2 12 O 0.87511409597275 0.96932772930462 0.76232000273301 15.999 > 2 13 O 0.12511409597275 0.53067227069538 0.26232000273301 15.999 > 3 14 O 0.62511409597275 0.53067227069538 0.26232000273301 15.999 > 3 15 O 0.12511409597275 0.53067227069538 0.59565333606634 15.999 > 3 16 O 0.62511409597275 0.53067227069538 0.59565333606634 15.999 > 3 17 O 0.12511409597275 0.53067227069538 0.92898666939968 15.999 > 3 18 O 0.62511409597275 0.53067227069538 0.92898666939968 15.999 > 3 19 O 0.37488590402725 0.53067227069538 0.23767999726699 15.999 > 4 20 O 0.87488590402725 0.53067227069538 0.23767999726699 15.999 > 4 21 O 0.37488590402725 0.53067227069538 0.57101333060032 15.999 > 4 22 O 0.87488590402725 0.53067227069538 0.57101333060032 15.999 > 4 23 O 0.37488590402725 0.53067227069538 0.90434666393366 15.999 > 4 24 O 0.87488590402725 0.53067227069538 0.90434666393366 15.999 > 4 *25 O 0.41829084979890 0.78678365318252 0.27956962987483 15.999 > 5 26 O 0.91829084979890 0.78678365318252 0.27956962987483 15.999 > 5 27 O 0.41829084979890 0.78678365318252 0.61290296320816 15.999 > 5 28 O 0.91829084979890 0.78678365318252 0.61290296320816 15.999 > 5 29 O 0.41829084979890 0.78678365318252 0.94623629654150 15.999 > 5 30 O 0.91829084979890 0.78678365318252 0.94623629654150 15.999 > 5 31 O 0.08170915020110 0.78678365318252 0.22043037012517 15.999 > 6 32 O 0.58170915020110 0.78678365318252 0.22043037012517 15.999 > 6 33 O 0.08170915020110 0.78678365318252 0.55376370345850 15.999 > 6 34 O 0.58170915020110 0.78678365318252 0.55376370345850 15.999 > 6 35 O 0.08170915020110 0.78678365318252 0.88709703679184 15.999 > 6 36 O 0.58170915020110 0.78678365318252 0.88709703679184 15.999 > 6 37 O 0.33170915020110 0.71321634681748 0.05376370345850 15.999 > 7 38 O 0.83170915020110 0.71321634681748 0.05376370345850 15.999 > 7 39 O 0.33170915020110 0.71321634681748 0.38709703679184 15.999 > 7 40 O 0.83170915020110 0.71321634681748 0.38709703679184 15.999 > 7 41 O 0.33170915020110 0.71321634681748 0.72043037012517 15.999 > 7 42 O 0.83170915020110 0.71321634681748 0.72043037012517 15.999 > 7 43 O 0.16829084979890 0.71321634681748 0.11290296320816 15.999 > 8 44 O 0.66829084979890 0.71321634681748 0.11290296320816 15.999 > 8 45 O 0.16829084979890 0.71321634681748 0.44623629654150 15.999 > 8 46 O 0.66829084979890 0.71321634681748 0.44623629654150 15.999 > 8 47 O 0.16829084979890 0.71321634681748 0.77956962987483 15.999 > 8 48 O 0.66829084979890 0.71321634681748 0.77956962987483 15.999 > 8 49 O 0.37488590402725 0.46932772930462 0.07101333060032 15.999 > 1 50 O 0.87488590402725 0.46932772930462 0.07101333060032 15.999 > 1 51 O 0.37488590402725 0.46932772930462 0.40434666393366 15.999 > 1 52 O 0.87488590402725 0.46932772930462 0.40434666393366 15.999 > 1 53 O 0.37488590402725 0.46932772930462 0.73767999726699 15.999 > 1 54 O 0.87488590402725 0.46932772930462 0.73767999726699 15.999 > 1 55 O 0.12511409597275 0.46932772930462 0.09565333606634 15.999 > 2 56 O 0.62511409597275 0.46932772930462 0.09565333606634 15.999 > 2 57 O 0.12511409597275 0.46932772930462 0.42898666939968 15.999 > 2 58 O 0.62511409597275 0.46932772930462 0.42898666939968 15.999 > 2 59 O 0.12511409597275 0.46932772930462 0.76232000273301 15.999 > 2 60 O 0.62511409597275 0.46932772930462 0.76232000273301 15.999 > 2 61 O 0.37511409597275 0.03067227069538 0.26232000273301 15.999 > 3 62 O 0.87511409597275 0.03067227069538 0.26232000273301 15.999 > 3 63 O 0.37511409597275 0.03067227069538 0.59565333606634 15.999 > 3 64 O 0.87511409597275 0.03067227069538 0.59565333606634 15.999 > 3 65 O 0.37511409597275 0.03067227069538 0.92898666939968 15.999 > 3 66 O 0.87511409597275 0.03067227069538 0.92898666939968 15.999 > 3 67 O 0.12488590402725 0.03067227069538 0.23767999726699 15.999 > 4 68 O 0.62488590402725 0.03067227069538 0.23767999726699 15.999 > 4 69 O 0.12488590402725 0.03067227069538 0.57101333060032 15.999 > 4 70 O 0.62488590402725 0.03067227069538 0.57101333060032 15.999 > 4 71 O 0.12488590402725 0.03067227069538 0.90434666393366 15.999 > 4 72 O 0.62488590402725 0.03067227069538 0.90434666393366 15.999 > 4 73 O 0.16829084979890 0.28678365318252 0.27956962987483 15.999 > 5 74 O 0.66829084979890 0.28678365318252 0.27956962987483 15.999 > 5 75 O 0.16829084979890 0.28678365318252 0.61290296320816 15.999 > 5 76 O 0.66829084979890 0.28678365318252 0.61290296320816 15.999 > 5 77 O 0.16829084979890 0.28678365318252 0.94623629654150 15.999 > 5 78 O 0.66829084979890 0.28678365318252 0.94623629654150 15.999 > 5 79 O 0.33170915020110 0.28678365318252 0.22043037012517 15.999 > 6 80 O 0.83170915020110 0.28678365318252 0.22043037012517 15.999 > 6 81 O 0.33170915020110 0.28678365318252 0.55376370345850 15.999 > 6 82 O 0.83170915020110 0.28678365318252 0.55376370345850 15.999 > 6 83 O 0.33170915020110 0.28678365318252 0.88709703679184 15.999 > 6 84 O 0.83170915020110 0.28678365318252 0.88709703679184 15.999 > 6 85 O 0.08170915020110 0.21321634681748 0.05376370345850 15.999 > 7 86 O 0.58170915020110 0.21321634681748 0.05376370345850 15.999 > 7 87 O 0.08170915020110 0.21321634681748 0.38709703679184 15.999 > 7 88 O 0.58170915020110 0.21321634681748 0.38709703679184 15.999 > 7 89 O 0.08170915020110 0.21321634681748 0.72043037012517 15.999 > 7 90 O 0.58170915020110 0.21321634681748 0.72043037012517 15.999 > 7 91 O 0.41829084979890 0.21321634681748 0.11290296320816 15.999 > 8 92 O 0.91829084979890 0.21321634681748 0.11290296320816 15.999 > 8 93 O 0.41829084979890 0.21321634681748 0.44623629654150 15.999 > 8 94 O 0.91829084979890 0.21321634681748 0.44623629654150 15.999 > 8 95 O 0.41829084979890 0.21321634681748 0.77956962987483 15.999 > 8 96 O 0.91829084979890 0.21321634681748 0.77956962987483 15.999 > 8 *97 Nb 0.00000000000000 0.89313674143381 0.25000000000000 92.906 > 9 98 Nb 0.50000000000000 0.89313674143381 0.25000000000000 92.906 > 9 99 Nb 0.00000000000000 0.89313674143381 0.58333333333333 92.906 > 9 100 Nb 0.50000000000000 0.89313674143381 0.58333333333333 92.906 > 9 101 Nb 0.00000000000000 0.89313674143381 0.91666666666667 92.906 > 9 102 Nb 0.50000000000000 0.89313674143381 0.91666666666667 92.906 > 9 103 Nb 0.25000000000000 0.60686325856619 0.08333333333333 92.906 > 10 104 Nb 0.75000000000000 0.60686325856619 0.08333333333333 92.906 > 10 105 Nb 0.25000000000000 0.60686325856619 0.41666666666667 92.906 > 10 106 Nb 0.75000000000000 0.60686325856619 0.41666666666667 92.906 > 10 107 Nb 0.25000000000000 0.60686325856619 0.75000000000000 92.906 > 10 108 Nb 0.75000000000000 0.60686325856619 0.75000000000000 92.906 > 10 109 Nb 0.25000000000000 0.39313674143381 0.25000000000000 92.906 > 9 110 Nb 0.75000000000000 0.39313674143381 0.25000000000000 92.906 > 9 111 Nb 0.25000000000000 0.39313674143381 0.58333333333333 92.906 > 9 112 Nb 0.75000000000000 0.39313674143381 0.58333333333333 92.906 > 9 113 Nb 0.25000000000000 0.39313674143381 0.91666666666667 92.906 > 9 114 Nb 0.75000000000000 0.39313674143381 0.91666666666667 92.906 > 9 115 Nb 0.00000000000000 0.10686325856619 0.08333333333333 92.906 > 10 116 Nb 0.50000000000000 0.10686325856619 0.08333333333333 92.906 > 10 117 Nb 0.00000000000000 0.10686325856619 0.41666666666667 92.906 > 10 118 Nb 0.50000000000000 0.10686325856619 0.41666666666667 92.906 > 10 119 Nb 0.00000000000000 0.10686325856619 0.75000000000000 92.906 > 10 120 Nb 0.50000000000000 0.10686325856619 0.75000000000000 92.906 > 10 *121 Er 0.25000000000000 0.87112469018070 0.25000000000000 167.259 > 11 122 Er 0.75000000000000 0.87112469018070 0.25000000000000 167.259 > 11 123 Er 0.25000000000000 0.87112469018070 0.58333333333333 167.259 > 11 124 Er 0.75000000000000 0.87112469018070 0.58333333333333 167.259 > 11 125 Er 0.25000000000000 0.87112469018070 0.91666666666667 167.259 > 11 126 Er 0.75000000000000 0.87112469018070 0.91666666666667 167.259 > 11 127 Er 0.00000000000000 0.62887530981930 0.08333333333333 167.259 > 12 128 Er 0.50000000000000 0.62887530981930 0.08333333333333 167.259 > 12 129 Er 0.00000000000000 0.62887530981930 0.41666666666667 167.259 > 12 130 Er 0.50000000000000 0.62887530981930 0.41666666666667 167.259 > 12 131 Er 0.00000000000000 0.62887530981930 0.75000000000000 167.259 > 12 132 Er 0.50000000000000 0.62887530981930 0.75000000000000 167.259 > 12 133 Er 0.00000000000000 0.37112469018069 0.25000000000000 167.259 > 11 134 Er 0.50000000000000 0.37112469018069 0.25000000000000 167.259 > 11 135 Er 0.00000000000000 0.37112469018069 0.58333333333333 167.259 > 11 136 Er 0.50000000000000 0.37112469018069 0.58333333333333 167.259 > 11 137 Er 0.00000000000000 0.37112469018069 0.91666666666667 167.259 > 11 138 Er 0.50000000000000 0.37112469018069 0.91666666666667 167.259 > 11 139 Er 0.25000000000000 0.12887530981931 0.08333333333333 167.259 > 12 140 Er 0.75000000000000 0.12887530981931 0.08333333333333 167.259 > 12 141 Er 0.25000000000000 0.12887530981931 0.41666666666667 167.259 > 12 142 Er 0.75000000000000 0.12887530981931 0.41666666666667 167.259 > 12 143 Er 0.25000000000000 0.12887530981931 0.75000000000000 167.259 > 12 144 Er 0.75000000000000 0.12887530981931 0.75000000000000 167.259 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2293301 0.0000000 -0.3180421 0.0000000 4.8899357 0.0000000 -0.3180420 0.0000000 5.1447024 -------------------------- Born effective charges -------------------------- 1 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 2 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 3 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 4 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 5 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 6 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 7 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 8 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 9 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 10 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 11 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 12 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.792 Solver_block: 200 / 400 - Time: 0.755 Solver_block: 300 / 400 - Time: 0.766 Solver_block: 400 / 400 - Time: 0.750 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:44:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:45:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.496568980004445 -5.418164024999999 0.000000000000000 b 3.496568980004445 5.418164024999999 0.000000000000000 c -3.367048721125919 0.000000000000000 3.782642661514514 Atomic positions (fractional): 1 O 0.28044407874988 0.21909953735912 0.21303999180097 15.999 2 O 0.78090046264088 0.71955592125012 0.28696000819903 15.999 3 O 0.71955592125012 0.78090046264088 0.78696000819903 15.999 4 O 0.21909953735912 0.28044407874988 0.71303999180097 15.999 5 O 0.04979804641528 0.62336535278032 0.83870888962449 15.999 6 O 0.37663464721968 0.95020195358472 0.66129111037551 15.999 7 O 0.95020195358472 0.37663464721968 0.16129111037551 15.999 8 O 0.62336535278032 0.04979804641528 0.33870888962449 15.999 9 Nb 0.10686325856619 0.89313674143381 0.75000000000000 92.906 10 Nb 0.89313674143381 0.10686325856619 0.25000000000000 92.906 11 Er 0.62887530981930 0.37112469018070 0.75000000000000 167.259 12 Er 0.37112469018070 0.62887530981930 0.25000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.986275920017778 0.000000000000000 0.000000000000000 b 0.000000000000000 10.836328049999999 0.000000000000000 c -10.101146163377758 0.000000000000000 11.347927984543542 Atomic positions (fractional): 1 O 0.12488590402725 0.96932772930462 0.07101333060032 15.999 > 1 2 O 0.62488590402725 0.96932772930462 0.07101333060032 15.999 > 1 3 O 0.12488590402725 0.96932772930462 0.40434666393366 15.999 > 1 4 O 0.62488590402725 0.96932772930462 0.40434666393366 15.999 > 1 5 O 0.12488590402725 0.96932772930462 0.73767999726699 15.999 > 1 6 O 0.62488590402725 0.96932772930462 0.73767999726699 15.999 > 1 7 O 0.37511409597275 0.96932772930462 0.09565333606634 15.999 > 7 8 O 0.87511409597275 0.96932772930462 0.09565333606634 15.999 > 7 9 O 0.37511409597275 0.96932772930462 0.42898666939968 15.999 > 7 10 O 0.87511409597275 0.96932772930462 0.42898666939968 15.999 > 7 11 O 0.37511409597275 0.96932772930462 0.76232000273301 15.999 > 7 12 O 0.87511409597275 0.96932772930462 0.76232000273301 15.999 > 7 13 O 0.12511409597275 0.53067227069538 0.26232000273301 15.999 > 13 14 O 0.62511409597275 0.53067227069538 0.26232000273301 15.999 > 13 15 O 0.12511409597275 0.53067227069538 0.59565333606634 15.999 > 13 16 O 0.62511409597275 0.53067227069538 0.59565333606634 15.999 > 13 17 O 0.12511409597275 0.53067227069538 0.92898666939968 15.999 > 13 18 O 0.62511409597275 0.53067227069538 0.92898666939968 15.999 > 13 19 O 0.37488590402725 0.53067227069538 0.23767999726699 15.999 > 19 20 O 0.87488590402725 0.53067227069538 0.23767999726699 15.999 > 19 21 O 0.37488590402725 0.53067227069538 0.57101333060032 15.999 > 19 22 O 0.87488590402725 0.53067227069538 0.57101333060032 15.999 > 19 23 O 0.37488590402725 0.53067227069538 0.90434666393366 15.999 > 19 24 O 0.87488590402725 0.53067227069538 0.90434666393366 15.999 > 19 25 O 0.41829084979890 0.78678365318252 0.27956962987483 15.999 > 25 26 O 0.91829084979890 0.78678365318252 0.27956962987483 15.999 > 25 27 O 0.41829084979890 0.78678365318252 0.61290296320816 15.999 > 25 28 O 0.91829084979890 0.78678365318252 0.61290296320816 15.999 > 25 29 O 0.41829084979890 0.78678365318252 0.94623629654150 15.999 > 25 30 O 0.91829084979890 0.78678365318252 0.94623629654150 15.999 > 25 31 O 0.08170915020110 0.78678365318252 0.22043037012517 15.999 > 31 32 O 0.58170915020110 0.78678365318252 0.22043037012517 15.999 > 31 33 O 0.08170915020110 0.78678365318252 0.55376370345850 15.999 > 31 34 O 0.58170915020110 0.78678365318252 0.55376370345850 15.999 > 31 35 O 0.08170915020110 0.78678365318252 0.88709703679184 15.999 > 31 36 O 0.58170915020110 0.78678365318252 0.88709703679184 15.999 > 31 37 O 0.33170915020110 0.71321634681748 0.05376370345850 15.999 > 37 38 O 0.83170915020110 0.71321634681748 0.05376370345850 15.999 > 37 39 O 0.33170915020110 0.71321634681748 0.38709703679184 15.999 > 37 40 O 0.83170915020110 0.71321634681748 0.38709703679184 15.999 > 37 41 O 0.33170915020110 0.71321634681748 0.72043037012517 15.999 > 37 42 O 0.83170915020110 0.71321634681748 0.72043037012517 15.999 > 37 43 O 0.16829084979890 0.71321634681748 0.11290296320816 15.999 > 43 44 O 0.66829084979890 0.71321634681748 0.11290296320816 15.999 > 43 45 O 0.16829084979890 0.71321634681748 0.44623629654150 15.999 > 43 46 O 0.66829084979890 0.71321634681748 0.44623629654150 15.999 > 43 47 O 0.16829084979890 0.71321634681748 0.77956962987483 15.999 > 43 48 O 0.66829084979890 0.71321634681748 0.77956962987483 15.999 > 43 49 O 0.37488590402725 0.46932772930462 0.07101333060032 15.999 > 1 50 O 0.87488590402725 0.46932772930462 0.07101333060032 15.999 > 1 51 O 0.37488590402725 0.46932772930462 0.40434666393366 15.999 > 1 52 O 0.87488590402725 0.46932772930462 0.40434666393366 15.999 > 1 53 O 0.37488590402725 0.46932772930462 0.73767999726699 15.999 > 1 54 O 0.87488590402725 0.46932772930462 0.73767999726699 15.999 > 1 55 O 0.12511409597275 0.46932772930462 0.09565333606634 15.999 > 7 56 O 0.62511409597275 0.46932772930462 0.09565333606634 15.999 > 7 57 O 0.12511409597275 0.46932772930462 0.42898666939968 15.999 > 7 58 O 0.62511409597275 0.46932772930462 0.42898666939968 15.999 > 7 59 O 0.12511409597275 0.46932772930462 0.76232000273301 15.999 > 7 60 O 0.62511409597275 0.46932772930462 0.76232000273301 15.999 > 7 61 O 0.37511409597275 0.03067227069538 0.26232000273301 15.999 > 13 62 O 0.87511409597275 0.03067227069538 0.26232000273301 15.999 > 13 63 O 0.37511409597275 0.03067227069538 0.59565333606634 15.999 > 13 64 O 0.87511409597275 0.03067227069538 0.59565333606634 15.999 > 13 65 O 0.37511409597275 0.03067227069538 0.92898666939968 15.999 > 13 66 O 0.87511409597275 0.03067227069538 0.92898666939968 15.999 > 13 67 O 0.12488590402725 0.03067227069538 0.23767999726699 15.999 > 19 68 O 0.62488590402725 0.03067227069538 0.23767999726699 15.999 > 19 69 O 0.12488590402725 0.03067227069538 0.57101333060032 15.999 > 19 70 O 0.62488590402725 0.03067227069538 0.57101333060032 15.999 > 19 71 O 0.12488590402725 0.03067227069538 0.90434666393366 15.999 > 19 72 O 0.62488590402725 0.03067227069538 0.90434666393366 15.999 > 19 73 O 0.16829084979890 0.28678365318252 0.27956962987483 15.999 > 25 74 O 0.66829084979890 0.28678365318252 0.27956962987483 15.999 > 25 75 O 0.16829084979890 0.28678365318252 0.61290296320816 15.999 > 25 76 O 0.66829084979890 0.28678365318252 0.61290296320816 15.999 > 25 77 O 0.16829084979890 0.28678365318252 0.94623629654150 15.999 > 25 78 O 0.66829084979890 0.28678365318252 0.94623629654150 15.999 > 25 79 O 0.33170915020110 0.28678365318252 0.22043037012517 15.999 > 31 80 O 0.83170915020110 0.28678365318252 0.22043037012517 15.999 > 31 81 O 0.33170915020110 0.28678365318252 0.55376370345850 15.999 > 31 82 O 0.83170915020110 0.28678365318252 0.55376370345850 15.999 > 31 83 O 0.33170915020110 0.28678365318252 0.88709703679184 15.999 > 31 84 O 0.83170915020110 0.28678365318252 0.88709703679184 15.999 > 31 85 O 0.08170915020110 0.21321634681748 0.05376370345850 15.999 > 37 86 O 0.58170915020110 0.21321634681748 0.05376370345850 15.999 > 37 87 O 0.08170915020110 0.21321634681748 0.38709703679184 15.999 > 37 88 O 0.58170915020110 0.21321634681748 0.38709703679184 15.999 > 37 89 O 0.08170915020110 0.21321634681748 0.72043037012517 15.999 > 37 90 O 0.58170915020110 0.21321634681748 0.72043037012517 15.999 > 37 91 O 0.41829084979890 0.21321634681748 0.11290296320816 15.999 > 43 92 O 0.91829084979890 0.21321634681748 0.11290296320816 15.999 > 43 93 O 0.41829084979890 0.21321634681748 0.44623629654150 15.999 > 43 94 O 0.91829084979890 0.21321634681748 0.44623629654150 15.999 > 43 95 O 0.41829084979890 0.21321634681748 0.77956962987483 15.999 > 43 96 O 0.91829084979890 0.21321634681748 0.77956962987483 15.999 > 43 97 Nb 0.00000000000000 0.89313674143381 0.25000000000000 92.906 > 97 98 Nb 0.50000000000000 0.89313674143381 0.25000000000000 92.906 > 97 99 Nb 0.00000000000000 0.89313674143381 0.58333333333333 92.906 > 97 100 Nb 0.50000000000000 0.89313674143381 0.58333333333333 92.906 > 97 101 Nb 0.00000000000000 0.89313674143381 0.91666666666667 92.906 > 97 102 Nb 0.50000000000000 0.89313674143381 0.91666666666667 92.906 > 97 103 Nb 0.25000000000000 0.60686325856619 0.08333333333333 92.906 > 103 104 Nb 0.75000000000000 0.60686325856619 0.08333333333333 92.906 > 103 105 Nb 0.25000000000000 0.60686325856619 0.41666666666667 92.906 > 103 106 Nb 0.75000000000000 0.60686325856619 0.41666666666667 92.906 > 103 107 Nb 0.25000000000000 0.60686325856619 0.75000000000000 92.906 > 103 108 Nb 0.75000000000000 0.60686325856619 0.75000000000000 92.906 > 103 109 Nb 0.25000000000000 0.39313674143381 0.25000000000000 92.906 > 97 110 Nb 0.75000000000000 0.39313674143381 0.25000000000000 92.906 > 97 111 Nb 0.25000000000000 0.39313674143381 0.58333333333333 92.906 > 97 112 Nb 0.75000000000000 0.39313674143381 0.58333333333333 92.906 > 97 113 Nb 0.25000000000000 0.39313674143381 0.91666666666667 92.906 > 97 114 Nb 0.75000000000000 0.39313674143381 0.91666666666667 92.906 > 97 115 Nb 0.00000000000000 0.10686325856619 0.08333333333333 92.906 > 103 116 Nb 0.50000000000000 0.10686325856619 0.08333333333333 92.906 > 103 117 Nb 0.00000000000000 0.10686325856619 0.41666666666667 92.906 > 103 118 Nb 0.50000000000000 0.10686325856619 0.41666666666667 92.906 > 103 119 Nb 0.00000000000000 0.10686325856619 0.75000000000000 92.906 > 103 120 Nb 0.50000000000000 0.10686325856619 0.75000000000000 92.906 > 103 121 Er 0.25000000000000 0.87112469018070 0.25000000000000 167.259 > 121 122 Er 0.75000000000000 0.87112469018070 0.25000000000000 167.259 > 121 123 Er 0.25000000000000 0.87112469018070 0.58333333333333 167.259 > 121 124 Er 0.75000000000000 0.87112469018070 0.58333333333333 167.259 > 121 125 Er 0.25000000000000 0.87112469018070 0.91666666666667 167.259 > 121 126 Er 0.75000000000000 0.87112469018070 0.91666666666667 167.259 > 121 127 Er 0.00000000000000 0.62887530981930 0.08333333333333 167.259 > 127 128 Er 0.50000000000000 0.62887530981930 0.08333333333333 167.259 > 127 129 Er 0.00000000000000 0.62887530981930 0.41666666666667 167.259 > 127 130 Er 0.50000000000000 0.62887530981930 0.41666666666667 167.259 > 127 131 Er 0.00000000000000 0.62887530981930 0.75000000000000 167.259 > 127 132 Er 0.50000000000000 0.62887530981930 0.75000000000000 167.259 > 127 133 Er 0.00000000000000 0.37112469018069 0.25000000000000 167.259 > 121 134 Er 0.50000000000000 0.37112469018069 0.25000000000000 167.259 > 121 135 Er 0.00000000000000 0.37112469018069 0.58333333333333 167.259 > 121 136 Er 0.50000000000000 0.37112469018069 0.58333333333333 167.259 > 121 137 Er 0.00000000000000 0.37112469018069 0.91666666666667 167.259 > 121 138 Er 0.50000000000000 0.37112469018069 0.91666666666667 167.259 > 121 139 Er 0.25000000000000 0.12887530981931 0.08333333333333 167.259 > 127 140 Er 0.75000000000000 0.12887530981931 0.08333333333333 167.259 > 127 141 Er 0.25000000000000 0.12887530981931 0.41666666666667 167.259 > 127 142 Er 0.75000000000000 0.12887530981931 0.41666666666667 167.259 > 127 143 Er 0.25000000000000 0.12887530981931 0.75000000000000 167.259 > 127 144 Er 0.75000000000000 0.12887530981931 0.75000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2293301 0.0000000 -0.3180421 0.0000000 4.8899357 0.0000000 -0.3180420 0.0000000 5.1447024 -------------------------- Born effective charges -------------------------- 1 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 2 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 3 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 4 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 5 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 6 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 7 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 8 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 9 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 10 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 11 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 12 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:45:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:45:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.496568980004445 -5.418164024999999 0.000000000000000 b 3.496568980004445 5.418164024999999 0.000000000000000 c -3.367048721125919 0.000000000000000 3.782642661514514 Atomic positions (fractional): 1 O 0.28044407874988 0.21909953735912 0.21303999180097 15.999 2 O 0.78090046264088 0.71955592125012 0.28696000819903 15.999 3 O 0.71955592125012 0.78090046264088 0.78696000819903 15.999 4 O 0.21909953735912 0.28044407874988 0.71303999180097 15.999 5 O 0.04979804641528 0.62336535278032 0.83870888962449 15.999 6 O 0.37663464721968 0.95020195358472 0.66129111037551 15.999 7 O 0.95020195358472 0.37663464721968 0.16129111037551 15.999 8 O 0.62336535278032 0.04979804641528 0.33870888962449 15.999 9 Nb 0.10686325856619 0.89313674143381 0.75000000000000 92.906 10 Nb 0.89313674143381 0.10686325856619 0.25000000000000 92.906 11 Er 0.62887530981930 0.37112469018070 0.75000000000000 167.259 12 Er 0.37112469018070 0.62887530981930 0.25000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.986275920017778 0.000000000000000 0.000000000000000 b 0.000000000000000 10.836328049999999 0.000000000000000 c -10.101146163377758 0.000000000000000 11.347927984543542 Atomic positions (fractional): 1 O 0.12488590402725 0.96932772930462 0.07101333060032 15.999 > 1 2 O 0.62488590402725 0.96932772930462 0.07101333060032 15.999 > 1 3 O 0.12488590402725 0.96932772930462 0.40434666393366 15.999 > 1 4 O 0.62488590402725 0.96932772930462 0.40434666393366 15.999 > 1 5 O 0.12488590402725 0.96932772930462 0.73767999726699 15.999 > 1 6 O 0.62488590402725 0.96932772930462 0.73767999726699 15.999 > 1 7 O 0.37511409597275 0.96932772930462 0.09565333606634 15.999 > 7 8 O 0.87511409597275 0.96932772930462 0.09565333606634 15.999 > 7 9 O 0.37511409597275 0.96932772930462 0.42898666939968 15.999 > 7 10 O 0.87511409597275 0.96932772930462 0.42898666939968 15.999 > 7 11 O 0.37511409597275 0.96932772930462 0.76232000273301 15.999 > 7 12 O 0.87511409597275 0.96932772930462 0.76232000273301 15.999 > 7 13 O 0.12511409597275 0.53067227069538 0.26232000273301 15.999 > 13 14 O 0.62511409597275 0.53067227069538 0.26232000273301 15.999 > 13 15 O 0.12511409597275 0.53067227069538 0.59565333606634 15.999 > 13 16 O 0.62511409597275 0.53067227069538 0.59565333606634 15.999 > 13 17 O 0.12511409597275 0.53067227069538 0.92898666939968 15.999 > 13 18 O 0.62511409597275 0.53067227069538 0.92898666939968 15.999 > 13 19 O 0.37488590402725 0.53067227069538 0.23767999726699 15.999 > 19 20 O 0.87488590402725 0.53067227069538 0.23767999726699 15.999 > 19 21 O 0.37488590402725 0.53067227069538 0.57101333060032 15.999 > 19 22 O 0.87488590402725 0.53067227069538 0.57101333060032 15.999 > 19 23 O 0.37488590402725 0.53067227069538 0.90434666393366 15.999 > 19 24 O 0.87488590402725 0.53067227069538 0.90434666393366 15.999 > 19 25 O 0.41829084979890 0.78678365318252 0.27956962987483 15.999 > 25 26 O 0.91829084979890 0.78678365318252 0.27956962987483 15.999 > 25 27 O 0.41829084979890 0.78678365318252 0.61290296320816 15.999 > 25 28 O 0.91829084979890 0.78678365318252 0.61290296320816 15.999 > 25 29 O 0.41829084979890 0.78678365318252 0.94623629654150 15.999 > 25 30 O 0.91829084979890 0.78678365318252 0.94623629654150 15.999 > 25 31 O 0.08170915020110 0.78678365318252 0.22043037012517 15.999 > 31 32 O 0.58170915020110 0.78678365318252 0.22043037012517 15.999 > 31 33 O 0.08170915020110 0.78678365318252 0.55376370345850 15.999 > 31 34 O 0.58170915020110 0.78678365318252 0.55376370345850 15.999 > 31 35 O 0.08170915020110 0.78678365318252 0.88709703679184 15.999 > 31 36 O 0.58170915020110 0.78678365318252 0.88709703679184 15.999 > 31 37 O 0.33170915020110 0.71321634681748 0.05376370345850 15.999 > 37 38 O 0.83170915020110 0.71321634681748 0.05376370345850 15.999 > 37 39 O 0.33170915020110 0.71321634681748 0.38709703679184 15.999 > 37 40 O 0.83170915020110 0.71321634681748 0.38709703679184 15.999 > 37 41 O 0.33170915020110 0.71321634681748 0.72043037012517 15.999 > 37 42 O 0.83170915020110 0.71321634681748 0.72043037012517 15.999 > 37 43 O 0.16829084979890 0.71321634681748 0.11290296320816 15.999 > 43 44 O 0.66829084979890 0.71321634681748 0.11290296320816 15.999 > 43 45 O 0.16829084979890 0.71321634681748 0.44623629654150 15.999 > 43 46 O 0.66829084979890 0.71321634681748 0.44623629654150 15.999 > 43 47 O 0.16829084979890 0.71321634681748 0.77956962987483 15.999 > 43 48 O 0.66829084979890 0.71321634681748 0.77956962987483 15.999 > 43 49 O 0.37488590402725 0.46932772930462 0.07101333060032 15.999 > 1 50 O 0.87488590402725 0.46932772930462 0.07101333060032 15.999 > 1 51 O 0.37488590402725 0.46932772930462 0.40434666393366 15.999 > 1 52 O 0.87488590402725 0.46932772930462 0.40434666393366 15.999 > 1 53 O 0.37488590402725 0.46932772930462 0.73767999726699 15.999 > 1 54 O 0.87488590402725 0.46932772930462 0.73767999726699 15.999 > 1 55 O 0.12511409597275 0.46932772930462 0.09565333606634 15.999 > 7 56 O 0.62511409597275 0.46932772930462 0.09565333606634 15.999 > 7 57 O 0.12511409597275 0.46932772930462 0.42898666939968 15.999 > 7 58 O 0.62511409597275 0.46932772930462 0.42898666939968 15.999 > 7 59 O 0.12511409597275 0.46932772930462 0.76232000273301 15.999 > 7 60 O 0.62511409597275 0.46932772930462 0.76232000273301 15.999 > 7 61 O 0.37511409597275 0.03067227069538 0.26232000273301 15.999 > 13 62 O 0.87511409597275 0.03067227069538 0.26232000273301 15.999 > 13 63 O 0.37511409597275 0.03067227069538 0.59565333606634 15.999 > 13 64 O 0.87511409597275 0.03067227069538 0.59565333606634 15.999 > 13 65 O 0.37511409597275 0.03067227069538 0.92898666939968 15.999 > 13 66 O 0.87511409597275 0.03067227069538 0.92898666939968 15.999 > 13 67 O 0.12488590402725 0.03067227069538 0.23767999726699 15.999 > 19 68 O 0.62488590402725 0.03067227069538 0.23767999726699 15.999 > 19 69 O 0.12488590402725 0.03067227069538 0.57101333060032 15.999 > 19 70 O 0.62488590402725 0.03067227069538 0.57101333060032 15.999 > 19 71 O 0.12488590402725 0.03067227069538 0.90434666393366 15.999 > 19 72 O 0.62488590402725 0.03067227069538 0.90434666393366 15.999 > 19 73 O 0.16829084979890 0.28678365318252 0.27956962987483 15.999 > 25 74 O 0.66829084979890 0.28678365318252 0.27956962987483 15.999 > 25 75 O 0.16829084979890 0.28678365318252 0.61290296320816 15.999 > 25 76 O 0.66829084979890 0.28678365318252 0.61290296320816 15.999 > 25 77 O 0.16829084979890 0.28678365318252 0.94623629654150 15.999 > 25 78 O 0.66829084979890 0.28678365318252 0.94623629654150 15.999 > 25 79 O 0.33170915020110 0.28678365318252 0.22043037012517 15.999 > 31 80 O 0.83170915020110 0.28678365318252 0.22043037012517 15.999 > 31 81 O 0.33170915020110 0.28678365318252 0.55376370345850 15.999 > 31 82 O 0.83170915020110 0.28678365318252 0.55376370345850 15.999 > 31 83 O 0.33170915020110 0.28678365318252 0.88709703679184 15.999 > 31 84 O 0.83170915020110 0.28678365318252 0.88709703679184 15.999 > 31 85 O 0.08170915020110 0.21321634681748 0.05376370345850 15.999 > 37 86 O 0.58170915020110 0.21321634681748 0.05376370345850 15.999 > 37 87 O 0.08170915020110 0.21321634681748 0.38709703679184 15.999 > 37 88 O 0.58170915020110 0.21321634681748 0.38709703679184 15.999 > 37 89 O 0.08170915020110 0.21321634681748 0.72043037012517 15.999 > 37 90 O 0.58170915020110 0.21321634681748 0.72043037012517 15.999 > 37 91 O 0.41829084979890 0.21321634681748 0.11290296320816 15.999 > 43 92 O 0.91829084979890 0.21321634681748 0.11290296320816 15.999 > 43 93 O 0.41829084979890 0.21321634681748 0.44623629654150 15.999 > 43 94 O 0.91829084979890 0.21321634681748 0.44623629654150 15.999 > 43 95 O 0.41829084979890 0.21321634681748 0.77956962987483 15.999 > 43 96 O 0.91829084979890 0.21321634681748 0.77956962987483 15.999 > 43 97 Nb 0.00000000000000 0.89313674143381 0.25000000000000 92.906 > 97 98 Nb 0.50000000000000 0.89313674143381 0.25000000000000 92.906 > 97 99 Nb 0.00000000000000 0.89313674143381 0.58333333333333 92.906 > 97 100 Nb 0.50000000000000 0.89313674143381 0.58333333333333 92.906 > 97 101 Nb 0.00000000000000 0.89313674143381 0.91666666666667 92.906 > 97 102 Nb 0.50000000000000 0.89313674143381 0.91666666666667 92.906 > 97 103 Nb 0.25000000000000 0.60686325856619 0.08333333333333 92.906 > 103 104 Nb 0.75000000000000 0.60686325856619 0.08333333333333 92.906 > 103 105 Nb 0.25000000000000 0.60686325856619 0.41666666666667 92.906 > 103 106 Nb 0.75000000000000 0.60686325856619 0.41666666666667 92.906 > 103 107 Nb 0.25000000000000 0.60686325856619 0.75000000000000 92.906 > 103 108 Nb 0.75000000000000 0.60686325856619 0.75000000000000 92.906 > 103 109 Nb 0.25000000000000 0.39313674143381 0.25000000000000 92.906 > 97 110 Nb 0.75000000000000 0.39313674143381 0.25000000000000 92.906 > 97 111 Nb 0.25000000000000 0.39313674143381 0.58333333333333 92.906 > 97 112 Nb 0.75000000000000 0.39313674143381 0.58333333333333 92.906 > 97 113 Nb 0.25000000000000 0.39313674143381 0.91666666666667 92.906 > 97 114 Nb 0.75000000000000 0.39313674143381 0.91666666666667 92.906 > 97 115 Nb 0.00000000000000 0.10686325856619 0.08333333333333 92.906 > 103 116 Nb 0.50000000000000 0.10686325856619 0.08333333333333 92.906 > 103 117 Nb 0.00000000000000 0.10686325856619 0.41666666666667 92.906 > 103 118 Nb 0.50000000000000 0.10686325856619 0.41666666666667 92.906 > 103 119 Nb 0.00000000000000 0.10686325856619 0.75000000000000 92.906 > 103 120 Nb 0.50000000000000 0.10686325856619 0.75000000000000 92.906 > 103 121 Er 0.25000000000000 0.87112469018070 0.25000000000000 167.259 > 121 122 Er 0.75000000000000 0.87112469018070 0.25000000000000 167.259 > 121 123 Er 0.25000000000000 0.87112469018070 0.58333333333333 167.259 > 121 124 Er 0.75000000000000 0.87112469018070 0.58333333333333 167.259 > 121 125 Er 0.25000000000000 0.87112469018070 0.91666666666667 167.259 > 121 126 Er 0.75000000000000 0.87112469018070 0.91666666666667 167.259 > 121 127 Er 0.00000000000000 0.62887530981930 0.08333333333333 167.259 > 127 128 Er 0.50000000000000 0.62887530981930 0.08333333333333 167.259 > 127 129 Er 0.00000000000000 0.62887530981930 0.41666666666667 167.259 > 127 130 Er 0.50000000000000 0.62887530981930 0.41666666666667 167.259 > 127 131 Er 0.00000000000000 0.62887530981930 0.75000000000000 167.259 > 127 132 Er 0.50000000000000 0.62887530981930 0.75000000000000 167.259 > 127 133 Er 0.00000000000000 0.37112469018069 0.25000000000000 167.259 > 121 134 Er 0.50000000000000 0.37112469018069 0.25000000000000 167.259 > 121 135 Er 0.00000000000000 0.37112469018069 0.58333333333333 167.259 > 121 136 Er 0.50000000000000 0.37112469018069 0.58333333333333 167.259 > 121 137 Er 0.00000000000000 0.37112469018069 0.91666666666667 167.259 > 121 138 Er 0.50000000000000 0.37112469018069 0.91666666666667 167.259 > 121 139 Er 0.25000000000000 0.12887530981931 0.08333333333333 167.259 > 127 140 Er 0.75000000000000 0.12887530981931 0.08333333333333 167.259 > 127 141 Er 0.25000000000000 0.12887530981931 0.41666666666667 167.259 > 127 142 Er 0.75000000000000 0.12887530981931 0.41666666666667 167.259 > 127 143 Er 0.25000000000000 0.12887530981931 0.75000000000000 167.259 > 127 144 Er 0.75000000000000 0.12887530981931 0.75000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2293301 0.0000000 -0.3180421 0.0000000 4.8899357 0.0000000 -0.3180420 0.0000000 5.1447024 -------------------------- Born effective charges -------------------------- 1 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 2 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 3 O -1.8325448 0.1784714 0.0524096 0.0472226 -2.1349775 -0.6364361 0.0188824 -0.6716295 -3.4498129 4 O -1.8325448 -0.1784714 0.0524096 -0.0472226 -2.1349775 0.6364361 0.0188824 0.6716295 -3.4498129 5 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 6 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 7 O -3.3185556 -0.9668737 0.3555328 -0.9904138 -2.5261383 0.5533439 0.4091364 0.4148775 -1.5498268 8 O -3.3185556 0.9668737 0.3555328 0.9904138 -2.5261383 -0.5533439 0.4091364 -0.4148775 -1.5498268 9 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 10 Nb 5.7218429 0.0000000 -0.6739057 0.0000000 5.4063529 0.0000000 -1.2790143 0.0000000 5.5328230 11 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 12 Er 4.5803580 0.0000000 -0.1419791 0.0000000 3.9158786 0.0000000 0.4229766 0.0000000 4.4664565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 13 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/432) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 11.310 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 12.423 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 18.771 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 0.000) 0.000 19.788 ( 0.000 0.000 0.000) 0.000 20.107 ( 0.000 0.000 0.000) 0.000 21.118 ( 0.000 0.000 0.000) 0.000 23.063 ( 0.000 0.000 0.000) 0.000 23.860 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/432) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -0.096 -16.768 27.209) 31.961 0.578 ( 16.734 -34.293 6.367) 38.686 1.161 ( 46.985 -11.457 37.700) 61.320 3.488 ( 4.715 2.476 -0.386) 5.339 3.560 ( -1.287 -0.835 0.470) 1.604 3.750 ( -3.324 3.940 1.545) 5.381 4.525 ( 3.257 1.265 -0.489) 3.528 4.663 ( -17.996 3.184 27.519) 33.035 5.188 ( 1.634 0.561 -11.577) 11.706 5.540 ( 19.566 4.434 -11.171) 22.962 5.706 ( 4.212 3.900 0.345) 5.751 5.802 ( -1.862 0.881 -5.663) 6.026 6.362 ( 28.711 56.064 4.288) 63.134 6.720 ( -4.100 0.527 0.597) 4.177 7.141 ( 8.990 -0.516 3.237) 9.569 7.581 ( -12.357 -48.887 -25.117) 56.333 8.574 ( -8.656 -19.932 -2.377) 21.860 9.507 ( -2.352 -6.698 -6.220) 9.439 9.755 ( 1.228 9.540 4.742) 10.724 9.829 ( -1.533 2.303 -1.891) 3.351 10.906 ( 51.891 41.887 -32.763) 74.301 11.402 ( 9.498 -16.846 -8.857) 21.271 11.599 ( -10.992 12.903 31.728) 35.972 12.397 ( -1.250 -1.298 -3.347) 3.801 13.030 ( 1.243 -4.564 -3.738) 6.029 13.350 ( -11.411 -50.027 -21.867) 55.777 13.815 ( -2.492 -0.022 -1.825) 3.089 15.959 ( -6.429 -0.217 -9.384) 11.377 18.081 ( -47.195 49.140 91.307) 113.926 19.050 ( -38.171 -34.475 15.222) 53.640 19.717 ( -8.533 -0.880 -3.262) 9.178 20.105 ( -2.600 -2.654 0.007) 3.715 21.150 ( 4.095 1.580 2.540) 5.071 22.598 ( 55.653 53.405 -18.628) 79.350 23.605 ( 6.673 -44.483 -42.910) 62.166 23.878 ( 2.266 -0.733 -0.491) 2.432 ======================= Grid point 2 (3/432) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.356 -17.584 27.367) 32.558 1.157 ( 17.551 -30.983 7.745) 36.442 2.266 ( 43.796 -10.295 34.367) 56.614 3.498 ( 2.680 5.074 -1.342) 5.893 3.567 ( 0.059 0.949 -0.448) 1.051 3.714 ( -0.483 4.905 6.009) 7.772 4.539 ( 4.988 4.615 -2.251) 7.158 4.697 ( -11.999 1.762 16.942) 20.835 5.172 ( 8.224 -0.461 -4.250) 9.269 5.584 ( 9.305 2.922 -6.595) 11.773 5.668 ( -0.941 2.390 -8.468) 8.849 5.743 ( 0.345 1.952 1.321) 2.382 6.316 ( 13.332 25.262 1.134) 28.587 6.654 ( -6.649 0.307 1.289) 6.779 7.290 ( 7.860 1.219 -1.516) 8.097 7.549 ( -2.538 -23.362 -12.628) 26.678 8.621 ( -7.786 -14.349 4.006) 16.810 9.462 ( -3.487 -9.663 -6.569) 12.194 9.732 ( 0.528 13.345 6.554) 14.877 9.764 ( 0.236 4.000 -2.027) 4.491 10.850 ( 19.298 24.915 -8.282) 32.584 11.595 ( 10.423 -19.065 -7.663) 23.040 11.726 ( -7.004 3.514 20.351) 21.807 12.356 ( 0.247 -1.791 -3.947) 4.341 13.052 ( 2.313 -11.363 -8.049) 14.116 13.380 ( -4.260 -13.185 -0.492) 13.865 13.733 ( -5.028 0.928 -3.407) 6.144 15.695 ( -10.287 3.504 -14.147) 17.839 18.117 ( -21.085 21.523 42.392) 52.008 19.013 ( -8.185 -8.776 -0.618) 12.016 19.525 ( -15.444 -3.257 -4.460) 16.402 20.059 ( -5.694 -1.689 -2.629) 6.496 21.264 ( 6.797 0.927 6.438) 9.408 22.673 ( 29.062 22.340 -9.365) 37.834 23.568 ( 1.066 -21.192 -19.062) 28.524 23.907 ( 1.203 0.404 0.859) 1.533 ======================= Grid point 3 (4/432) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.587 -17.687 25.158) 30.962 1.729 ( 17.626 -25.817 10.382) 32.939 3.218 ( 32.855 -5.761 22.129) 40.029 3.448 ( 5.202 5.980 0.499) 7.942 3.547 ( -2.749 3.745 5.845) 7.466 3.771 ( 3.778 4.608 3.021) 6.681 4.527 ( 7.580 5.666 -5.898) 11.151 4.772 ( -4.346 -2.736 14.798) 15.664 5.212 ( 8.143 -0.644 -10.746) 13.498 5.490 ( -3.547 2.858 -7.888) 9.109 5.686 ( 4.995 8.867 4.611) 11.173 5.700 ( -5.595 -2.235 5.094) 7.889 6.339 ( 12.328 10.106 -0.672) 15.955 6.583 ( -6.362 0.171 1.800) 6.614 7.223 ( -1.588 1.185 -12.130) 12.290 7.656 ( 8.746 -12.361 -4.377) 15.762 8.684 ( -10.139 -12.426 6.000) 17.123 9.394 ( -5.157 -0.357 -3.864) 6.454 9.695 ( -2.174 8.627 2.840) 9.339 9.806 ( 9.954 -0.392 5.235) 11.253 10.797 ( 7.741 12.854 -3.772) 15.472 11.727 ( -2.566 1.711 1.863) 3.603 11.853 ( 2.998 -13.019 4.347) 14.050 12.353 ( 2.824 -1.576 -2.635) 4.172 13.087 ( 0.659 -16.121 -9.780) 18.867 13.480 ( 1.618 -2.039 10.865) 11.172 13.586 ( -7.546 3.551 -4.541) 9.496 15.330 ( -11.849 4.775 -16.936) 21.214 18.138 ( -12.095 11.346 21.771) 27.368 18.973 ( 5.948 5.952 -5.604) 10.109 19.310 ( -19.296 -9.333 -0.824) 21.451 19.924 ( -7.405 0.825 -5.851) 9.473 21.433 ( 5.995 0.464 7.852) 9.890 22.752 ( 18.540 10.510 -6.812) 22.374 23.559 ( 1.889 -13.916 -10.968) 17.819 23.916 ( -1.348 1.998 2.347) 3.364 ======================= Grid point 4 (5/432) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 4.271 -14.894 18.076) 23.808 2.284 ( 16.061 -19.912 14.115) 29.218 3.297 ( -0.173 6.755 -2.257) 7.124 3.482 ( -2.304 4.435 -0.992) 5.095 3.735 ( -0.009 9.041 -4.149) 9.948 4.048 ( 24.697 -3.860 22.039) 33.325 4.546 ( 11.614 2.216 -5.101) 12.877 4.949 ( 0.113 -4.050 13.537) 14.130 5.158 ( 5.586 -3.340 -14.508) 15.901 5.332 ( -4.426 3.517 -5.521) 7.901 5.568 ( -11.783 6.465 5.876) 14.669 5.882 ( 7.064 2.173 11.753) 13.883 6.418 ( 4.892 -2.654 -1.467) 5.755 6.532 ( -1.639 3.246 0.896) 3.745 7.010 ( -3.927 2.996 -13.523) 14.396 7.857 ( 14.200 -9.414 -2.250) 17.185 8.660 ( -16.119 -7.389 3.362) 18.048 9.283 ( -1.789 5.541 -1.377) 5.983 9.621 ( -2.657 5.279 0.560) 5.936 10.106 ( 15.600 -3.964 10.981) 19.485 10.762 ( 2.265 0.439 -2.449) 3.364 11.572 ( -11.586 10.735 -1.873) 15.905 12.073 ( 8.132 -13.389 0.271) 15.668 12.384 ( 3.340 -0.990 -1.339) 3.732 13.107 ( -3.109 -12.713 -4.884) 13.969 13.380 ( -7.219 7.204 -5.501) 11.588 13.713 ( 6.492 -3.702 14.843) 16.618 14.936 ( -11.244 5.133 -17.194) 21.176 18.111 ( -6.543 6.169 7.513) 11.718 18.945 ( 8.311 11.273 -2.359) 14.203 19.184 ( -14.706 -11.376 2.051) 18.705 19.742 ( -6.606 1.359 -6.897) 9.646 21.566 ( 3.026 1.128 5.548) 6.420 22.818 ( 10.928 4.133 -4.376) 12.476 23.599 ( 4.260 -10.250 -6.771) 13.002 23.891 ( -3.765 3.512 3.155) 6.039 ======================= Grid point 5 (6/432) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.020 -6.283 6.671) 9.384 2.781 ( 11.235 -13.152 13.918) 22.202 3.199 ( -2.786 5.156 -5.835) 8.270 3.369 ( -3.461 4.270 -2.833) 6.184 3.590 ( -0.954 5.871 -3.507) 6.905 4.442 ( 6.527 0.254 7.152) 9.686 4.666 ( 9.771 -0.958 -1.082) 9.877 5.094 ( 0.290 -2.305 3.938) 4.572 5.150 ( 6.771 -4.705 -4.701) 9.491 5.200 ( -4.051 3.716 -1.436) 5.682 5.429 ( -9.210 3.539 2.603) 10.204 6.077 ( 4.909 2.438 9.173) 10.686 6.430 ( -5.269 -7.874 -3.598) 10.134 6.521 ( 4.699 5.520 -0.163) 7.251 6.815 ( -2.545 1.880 -6.303) 7.053 8.122 ( 16.739 -6.466 -0.277) 17.946 8.470 ( -18.007 0.837 0.239) 18.028 9.239 ( 0.336 2.212 0.162) 2.243 9.566 ( -1.171 1.832 -0.081) 2.176 10.403 ( 8.099 1.272 5.468) 9.854 10.871 ( 7.549 -14.042 4.397) 16.538 11.235 ( -13.757 14.745 -7.443) 21.495 12.258 ( 4.989 -6.104 0.311) 7.890 12.412 ( 1.316 -0.349 -0.398) 1.418 13.101 ( -5.531 -5.453 0.115) 7.768 13.203 ( -0.597 5.316 -3.831) 6.580 14.006 ( 6.370 -4.031 11.498) 13.749 14.585 ( -7.562 4.055 -12.234) 14.943 18.062 ( -2.016 2.177 1.019) 3.137 18.946 ( 2.895 4.529 0.804) 5.435 19.146 ( -4.582 -4.139 0.918) 6.242 19.605 ( -2.853 0.346 -3.506) 4.533 21.622 ( 0.717 0.729 1.832) 2.098 22.860 ( 3.682 0.957 -1.437) 4.067 23.668 ( 3.783 -5.502 -3.266) 7.433 23.841 ( -3.485 3.224 2.321) 5.285 ======================= Grid point 12 (7/432) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 2.549 0.000 30.541) 30.647 0.827 ( 23.204 0.000 13.188) 26.690 2.185 ( 46.520 0.000 36.684) 59.244 3.551 ( -1.310 -0.000 2.634) 2.942 3.562 ( 6.701 0.000 -3.979) 7.793 3.760 ( -2.719 -0.000 5.802) 6.407 4.581 ( 5.083 0.000 -1.452) 5.287 4.711 ( -15.996 -0.000 16.999) 23.342 5.169 ( 8.530 0.000 -3.551) 9.239 5.603 ( 7.408 0.000 -7.215) 10.341 5.679 ( -3.151 -0.000 -9.686) 10.185 5.775 ( 4.582 0.000 -0.421) 4.602 6.567 ( -10.381 -0.000 -1.255) 10.457 6.864 ( 9.975 0.000 -11.600) 15.299 7.093 ( 0.797 0.000 -2.901) 3.009 7.309 ( 10.312 0.000 1.519) 10.424 8.484 ( -6.019 -0.000 7.521) 9.633 9.363 ( -3.408 -0.000 -5.715) 6.654 9.795 ( 0.419 0.000 -3.349) 3.375 9.869 ( 1.232 0.000 4.268) 4.442 11.222 ( -4.416 -0.000 -3.540) 5.660 11.290 ( 34.649 0.000 -22.834) 41.497 11.829 ( -8.502 -0.000 21.012) 22.667 12.329 ( 0.244 0.000 -3.586) 3.595 12.860 ( 1.519 0.000 -10.259) 10.371 13.270 ( 2.501 0.000 11.020) 11.300 13.747 ( -4.171 -0.000 -3.111) 5.204 15.722 ( -10.857 -0.000 -13.325) 17.188 18.367 ( -48.231 -0.000 50.516) 69.844 18.876 ( 9.654 0.000 -1.953) 9.849 19.505 ( -13.323 -0.000 -7.650) 15.363 20.044 ( -4.723 -0.000 -1.055) 4.840 21.277 ( 4.302 0.000 8.794) 9.790 23.085 ( 29.218 0.000 -40.032) 49.561 23.167 ( 4.738 0.000 2.040) 5.159 23.911 ( 1.703 0.000 1.335) 2.164 ======================= Grid point 13 (8/432) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 3.611 -7.426 30.464) 31.563 1.363 ( 23.306 -13.932 14.260) 30.669 3.154 ( 40.938 -1.733 27.373) 49.277 3.543 ( 1.644 4.163 -2.654) 5.203 3.585 ( -0.777 0.544 4.852) 4.943 3.822 ( 1.896 1.448 4.977) 5.520 4.605 ( 5.284 2.889 -4.135) 7.305 4.724 ( -6.159 -2.012 11.679) 13.356 5.204 ( 8.428 -0.243 -13.571) 15.977 5.515 ( -3.537 0.509 -9.895) 10.521 5.656 ( 0.622 -1.464 5.815) 6.029 5.808 ( 1.830 3.873 3.750) 5.693 6.412 ( -9.568 -0.158 -0.802) 9.603 6.762 ( 6.657 18.818 -1.423) 20.011 7.155 ( 0.529 -12.766 -10.312) 16.419 7.446 ( 7.050 -7.488 -1.140) 10.348 8.516 ( -9.061 -5.753 9.144) 14.100 9.300 ( -3.945 -4.846 -1.486) 6.423 9.804 ( 7.770 1.663 -1.286) 8.049 9.885 ( 0.070 6.469 3.369) 7.294 11.039 ( -2.107 11.521 -6.138) 13.223 11.555 ( 21.221 -11.217 -7.919) 25.276 11.919 ( -7.939 9.637 19.038) 22.768 12.328 ( 3.264 -1.320 -2.090) 4.094 12.799 ( -0.308 -13.969 -12.203) 18.551 13.448 ( 3.005 -1.128 12.263) 12.676 13.634 ( -5.775 1.572 -4.090) 7.249 15.380 ( -12.975 1.374 -16.991) 21.423 18.296 ( -23.303 6.018 24.282) 34.189 19.003 ( 10.053 -1.720 -1.765) 10.350 19.223 ( -14.115 -0.929 -9.089) 16.813 19.939 ( -6.772 0.639 -4.062) 7.922 21.455 ( 3.956 1.296 12.621) 13.289 22.938 ( 17.086 10.400 -20.629) 28.734 23.319 ( 5.054 -12.574 -4.373) 14.240 23.941 ( -0.297 0.855 2.612) 2.764 ======================= Grid point 14 (9/432) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 5.770 -9.000 25.578) 27.722 1.960 ( 20.782 -16.624 16.149) 31.129 3.423 ( -0.476 7.528 -3.336) 8.248 3.539 ( -0.399 1.998 -2.209) 3.006 3.844 ( -0.251 3.708 -1.303) 3.938 4.014 ( 27.728 -0.641 25.146) 37.437 4.592 ( 8.216 3.045 -6.935) 11.174 4.868 ( 2.427 -4.698 10.932) 12.144 5.099 ( 4.699 -3.206 -19.180) 20.006 5.360 ( -3.726 0.431 -7.883) 8.730 5.642 ( -12.810 2.267 6.623) 14.598 5.943 ( 7.095 4.233 13.020) 15.420 6.319 ( -7.610 -5.715 -0.761) 9.547 6.701 ( 4.851 13.884 0.960) 14.738 7.053 ( -2.401 1.038 -11.603) 11.894 7.624 ( 8.118 -16.676 -1.941) 18.649 8.522 ( -12.892 -6.898 6.244) 15.899 9.266 ( -5.683 -3.836 -0.580) 6.881 9.798 ( 0.620 11.731 0.719) 11.770 10.046 ( 17.073 -2.820 8.012) 19.069 10.850 ( -4.022 6.430 -6.068) 9.713 11.790 ( 9.692 7.698 -3.003) 12.736 11.904 ( -1.286 1.425 10.102) 10.283 12.369 ( 3.431 -0.748 -0.586) 3.560 12.819 ( -1.510 -20.411 -7.305) 21.731 13.476 ( -6.885 4.098 -4.531) 9.205 13.664 ( 5.191 -2.125 13.882) 14.972 14.993 ( -12.582 1.902 -17.895) 21.958 18.219 ( -10.889 6.116 9.125) 15.468 18.959 ( -16.911 -9.034 -4.501) 19.694 19.143 ( 15.394 6.352 -2.473) 16.836 19.772 ( -7.071 1.692 -6.515) 9.763 21.620 ( 1.562 4.252 12.374) 13.178 22.867 ( 11.147 1.771 -15.125) 18.872 23.430 ( 5.511 -8.713 -2.914) 10.714 23.944 ( -2.902 2.448 3.809) 5.378 ======================= Grid point 15 (10/432) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 6.132 -5.022 16.866) 18.635 2.531 ( 16.212 -15.106 16.677) 27.734 3.290 ( -4.062 5.880 -5.138) 8.802 3.440 ( -4.600 3.819 -3.806) 7.087 3.712 ( -4.651 6.946 -6.258) 10.443 4.452 ( 9.178 1.487 3.326) 9.875 4.677 ( 15.782 1.260 -0.958) 15.861 4.994 ( 4.657 -8.908 -14.901) 17.975 5.070 ( 2.251 -3.346 10.056) 10.834 5.227 ( -3.541 0.108 -6.265) 7.198 5.506 ( -14.517 4.231 7.179) 16.738 6.117 ( 1.838 2.121 5.823) 6.464 6.296 ( -2.523 -6.628 2.239) 7.437 6.662 ( 1.797 10.244 1.665) 10.533 6.872 ( -3.169 4.382 -6.254) 8.268 7.891 ( 9.440 -19.667 0.735) 21.828 8.433 ( -13.781 -3.588 1.565) 14.326 9.214 ( -5.198 -2.861 -0.607) 5.964 9.711 ( 0.400 11.500 0.612) 11.523 10.417 ( 15.408 -0.117 7.005) 16.926 10.732 ( 1.087 -3.535 -1.299) 3.920 11.565 ( -7.463 24.506 -2.400) 25.729 12.146 ( 12.712 -6.480 3.332) 14.652 12.405 ( 1.260 -0.519 0.347) 1.407 12.910 ( -2.757 -16.821 -0.192) 17.047 13.299 ( -4.987 5.322 -4.326) 8.480 13.936 ( 7.336 -3.957 13.052) 15.487 14.629 ( -10.538 1.328 -15.187) 18.533 18.125 ( -4.274 5.024 0.455) 6.611 18.817 ( -14.000 -12.473 -1.189) 18.788 19.252 ( 15.207 9.566 -2.810) 18.185 19.616 ( -3.358 0.658 -4.581) 5.718 21.695 ( -1.218 7.174 8.583) 11.252 22.837 ( 5.214 -3.532 -10.401) 12.159 23.547 ( 6.380 -7.100 -1.736) 9.702 23.914 ( -4.633 4.202 4.577) 7.751 ======================= Grid point 16 (11/432) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.416 4.852 4.052) 7.185 2.915 ( -0.346 0.391 0.331) 0.619 3.117 ( -1.469 -2.363 0.867) 2.914 3.330 ( -1.871 0.139 -1.521) 2.415 3.548 ( -4.156 0.752 -3.134) 5.259 4.433 ( -2.138 -0.727 -9.662) 9.922 4.727 ( -4.840 6.230 -1.329) 8.000 5.044 ( 7.484 -11.054 -8.235) 15.684 5.129 ( -0.229 -1.384 -6.882) 7.023 5.172 ( -5.534 -1.509 6.781) 8.882 5.430 ( -1.354 2.762 5.152) 6.000 6.045 ( -5.034 -1.210 -9.024) 10.403 6.400 ( -2.065 -5.118 4.370) 7.040 6.619 ( 0.656 10.458 4.704) 11.486 6.818 ( 1.384 2.110 5.116) 5.704 8.087 ( -12.195 -11.146 2.542) 16.716 8.390 ( 9.808 -6.457 -0.286) 11.746 9.166 ( -4.998 -3.578 -0.942) 6.218 9.642 ( 0.677 7.017 0.086) 7.050 10.404 ( -5.664 2.028 -7.909) 9.937 11.043 ( 18.123 -8.195 10.104) 22.309 11.221 ( -5.094 26.341 -2.726) 26.967 12.333 ( 5.071 2.576 3.087) 6.472 12.416 ( -0.921 0.158 0.990) 1.361 13.027 ( 0.135 -11.540 4.550) 12.405 13.199 ( 1.195 2.403 -1.860) 3.265 14.062 ( -2.714 2.438 -8.393) 9.151 14.495 ( 2.469 -6.295 7.730) 10.270 18.054 ( -0.303 1.198 -2.565) 2.848 18.753 ( -11.181 -13.548 -1.161) 17.605 19.302 ( 13.619 9.748 -5.367) 17.587 19.609 ( 4.476 0.691 2.550) 5.198 21.678 ( -2.802 7.187 4.063) 8.718 22.803 ( -1.792 -5.741 -6.587) 8.920 23.663 ( 4.764 -4.462 0.068) 6.527 23.869 ( -3.630 5.048 4.274) 7.545 ======================= Grid point 17 (12/432) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -1.176 15.687 -11.125) 19.268 2.580 ( -14.170 14.565 -11.101) 23.155 3.209 ( -1.173 -3.714 1.641) 4.226 3.396 ( 2.625 -5.697 0.666) 6.308 3.565 ( -0.661 -10.352 3.640) 10.993 4.149 ( -17.634 7.642 -16.139) 25.097 4.524 ( -13.021 0.141 -0.699) 13.041 4.982 ( 0.149 -0.457 -15.317) 15.325 5.183 ( -6.741 -2.067 8.906) 11.359 5.213 ( 7.157 -10.032 -0.200) 12.324 5.485 ( 3.797 -1.436 -0.567) 4.099 5.875 ( -3.435 0.990 -9.080) 9.758 6.355 ( -13.140 -5.422 -0.615) 14.228 6.618 ( 3.267 7.876 2.845) 8.988 6.978 ( 5.416 -0.408 13.041) 14.127 7.936 ( -15.524 0.607 2.731) 15.774 8.672 ( 16.320 -8.392 0.294) 18.353 9.127 ( -4.976 -7.111 -1.229) 8.765 9.618 ( 0.770 0.956 -0.108) 1.233 10.156 ( -10.203 2.654 -12.322) 16.216 10.947 ( -2.488 22.735 1.367) 22.911 11.441 ( 16.843 -5.680 5.629) 18.645 12.297 ( -3.196 12.646 1.749) 13.160 12.400 ( -3.297 0.794 2.181) 4.031 13.199 ( -0.071 -6.788 4.286) 8.028 13.270 ( 11.545 -0.526 5.825) 12.942 13.783 ( -7.413 4.447 -15.932) 18.126 14.817 ( 9.487 -8.899 16.322) 20.871 18.023 ( 2.105 -4.080 -8.385) 9.559 18.739 ( -7.293 -12.104 2.435) 14.339 19.361 ( 16.951 8.683 -4.860) 19.656 19.740 ( 7.702 1.137 6.398) 10.077 21.601 ( -4.528 5.522 -0.089) 7.142 22.725 ( -9.414 -7.082 -3.863) 12.398 23.728 ( -0.870 3.093 5.757) 6.593 23.856 ( 1.968 1.310 0.407) 2.399 ======================= Grid point 18 (13/432) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.174 20.778 -20.342) 29.251 2.133 ( -15.158 20.692 -7.592) 26.750 3.253 ( -2.549 -4.535 0.425) 5.220 3.428 ( -14.165 -1.182 -5.012) 15.072 3.497 ( -9.782 4.419 -19.782) 22.506 3.684 ( -5.080 -3.669 -0.351) 6.276 4.432 ( -9.491 -5.407 5.055) 12.036 4.789 ( 1.594 -1.006 -18.736) 18.831 5.215 ( -8.500 -1.434 9.171) 12.587 5.394 ( 4.663 -9.663 2.278) 10.968 5.521 ( -0.878 -7.004 -2.184) 7.389 5.760 ( 2.343 3.660 -4.964) 6.597 6.181 ( -18.331 -7.391 -1.933) 19.859 6.634 ( 3.844 3.984 0.914) 5.611 7.194 ( 3.446 -1.321 10.402) 11.037 7.801 ( -8.343 5.356 6.373) 11.786 8.852 ( 8.245 5.114 -0.893) 9.743 9.186 ( 1.448 -18.706 -2.143) 18.884 9.635 ( -0.164 -3.468 0.286) 3.484 9.866 ( -8.120 4.859 -8.990) 13.052 10.774 ( -4.616 13.594 1.427) 14.427 11.684 ( 11.663 -1.479 -1.456) 11.846 12.130 ( -4.896 16.596 0.983) 17.331 12.380 ( -2.968 1.695 3.667) 5.013 13.271 ( -1.630 4.047 6.729) 8.019 13.469 ( -2.160 -2.225 -4.689) 5.621 13.566 ( 11.081 1.210 0.107) 11.148 15.214 ( 10.214 -9.060 16.282) 21.249 17.951 ( 2.322 -10.333 -20.290) 22.888 18.850 ( 0.836 -7.623 9.496) 12.206 19.477 ( 19.795 9.306 -3.715) 22.186 19.921 ( 8.574 0.634 7.260) 11.253 21.461 ( -7.650 4.118 -3.446) 9.347 22.586 ( -17.396 -9.538 -2.088) 19.949 23.756 ( -0.809 8.904 11.249) 14.369 23.884 ( 2.859 -1.063 -1.895) 3.591 ======================= Grid point 19 (14/432) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -1.903 23.209 -20.927) 31.308 1.652 ( -15.838 24.832 -8.414) 30.631 2.563 ( -34.083 25.418 -24.610) 49.126 3.382 ( -2.148 -8.599 2.843) 9.308 3.501 ( 4.035 -7.593 -4.078) 9.516 3.639 ( -3.522 -2.889 -3.445) 5.711 4.441 ( -5.841 -6.630 3.620) 9.549 4.651 ( 5.966 -3.620 -16.415) 17.837 5.179 ( -8.734 -0.395 4.248) 9.720 5.483 ( -9.707 -8.969 2.824) 13.515 5.573 ( -1.494 -7.870 4.454) 9.165 5.758 ( 4.787 2.761 -1.421) 5.706 5.995 ( -15.399 -12.882 -5.011) 20.693 6.675 ( 4.311 1.397 0.543) 4.565 7.269 ( -5.159 -0.691 1.833) 5.518 7.808 ( 3.085 9.528 12.045) 15.664 8.854 ( 4.570 10.593 2.073) 11.721 9.354 ( 3.513 -21.461 -6.649) 22.741 9.681 ( -0.231 -3.304 2.943) 4.431 9.698 ( -3.368 2.465 -0.961) 4.283 10.604 ( -12.415 2.263 -1.086) 12.666 11.727 ( 5.737 3.938 -8.624) 11.081 11.931 ( -4.566 18.418 1.050) 19.005 12.385 ( -1.011 1.729 4.087) 4.551 13.163 ( -5.809 4.376 -3.728) 8.173 13.512 ( 4.508 -1.862 7.494) 8.941 13.780 ( 12.059 6.926 9.906) 17.074 15.595 ( 8.900 -8.596 14.596) 19.134 17.785 ( 2.815 -16.649 -33.903) 37.875 19.082 ( 12.884 0.260 8.748) 15.575 19.627 ( 18.607 8.109 -1.447) 20.349 20.096 ( 8.016 2.539 5.326) 9.953 21.270 ( -10.183 2.076 -3.578) 10.991 22.378 ( -26.945 -13.677 -1.477) 30.254 23.836 ( 3.390 11.446 14.232) 18.575 23.897 ( -0.023 -0.714 0.225) 0.749 ======================= Grid point 20 (15/432) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.359 25.734 -16.064) 30.339 1.080 ( -21.528 21.483 -17.213) 34.946 1.634 ( -24.289 42.989 -15.186) 51.659 3.413 ( -3.595 -6.361 -0.202) 7.310 3.574 ( 0.582 0.167 0.285) 0.669 3.627 ( 2.323 -9.883 -2.390) 10.430 4.471 ( -0.544 -5.218 0.126) 5.248 4.595 ( 6.962 -3.989 -15.077) 17.079 5.158 ( -5.972 -3.706 6.998) 9.918 5.416 ( -21.865 -7.792 9.796) 25.194 5.596 ( -7.234 -8.520 -5.992) 12.682 5.777 ( -0.360 -2.487 1.838) 3.113 5.900 ( -3.889 -8.927 -7.639) 12.377 6.725 ( 3.319 0.253 0.238) 3.337 7.160 ( -7.325 1.955 -2.128) 7.875 7.964 ( 9.306 9.514 12.417) 18.201 8.915 ( 11.699 13.407 11.634) 21.259 9.472 ( 0.719 -20.955 -7.045) 22.120 9.668 ( -0.290 5.494 4.418) 7.056 9.766 ( 0.645 -6.179 2.428) 6.670 10.362 ( -27.101 -10.815 -4.913) 29.590 11.594 ( 1.494 8.928 -11.254) 14.443 11.732 ( -3.142 18.959 0.779) 19.233 12.411 ( 0.145 0.789 2.707) 2.824 13.052 ( -2.277 0.770 -2.432) 3.420 13.699 ( 3.747 -4.359 7.668) 9.584 14.035 ( 16.070 17.680 25.955) 35.277 15.919 ( 6.335 -6.316 13.773) 16.424 17.489 ( 2.652 -21.291 -53.938) 58.049 19.377 ( 29.456 7.726 1.089) 30.472 19.771 ( 13.106 5.815 -0.455) 14.346 20.182 ( 4.364 6.102 1.284) 7.611 21.124 ( -7.781 -0.897 1.149) 7.917 22.059 ( -40.881 -17.285 -1.513) 44.411 23.879 ( 0.996 1.135 -1.351) 2.026 24.017 ( 4.048 10.153 22.062) 24.621 ======================= Grid point 21 (16/432) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 26.152 -0.000) 26.152 0.499 ( -0.000 29.360 -0.000) 29.360 0.965 ( -0.000 56.626 -0.000) 56.626 3.427 ( 0.000 -4.309 0.000) 4.309 3.573 ( -0.000 0.525 -0.000) 0.525 3.714 ( 0.000 -8.053 0.000) 8.053 4.517 ( 0.000 -3.985 0.000) 3.985 4.549 ( 0.000 -0.677 0.000) 0.677 5.134 ( 0.000 -3.129 0.000) 3.129 5.417 ( 0.000 -2.195 0.000) 2.195 5.446 ( 0.000 -4.684 0.000) 4.684 5.805 ( 0.000 -3.499 0.000) 3.499 5.859 ( -0.000 0.555 -0.000) 0.555 6.749 ( -0.000 0.169 -0.000) 0.169 7.070 ( -0.000 2.201 -0.000) 2.201 8.089 ( -0.000 2.763 -0.000) 2.763 9.239 ( 0.000 -2.955 0.000) 2.955 9.593 ( 0.000 -17.853 0.000) 17.853 9.655 ( -0.000 8.350 -0.000) 8.350 9.897 ( 0.000 -17.351 0.000) 17.351 9.907 ( -0.000 9.717 -0.000) 9.717 11.423 ( -0.000 11.715 -0.000) 11.715 11.565 ( -0.000 16.443 -0.000) 16.443 12.425 ( -0.000 0.279 -0.000) 0.279 13.024 ( 0.000 -0.141 0.000) 0.141 13.804 ( 0.000 -4.506 0.000) 4.506 14.469 ( 0.000 -2.192 0.000) 2.192 16.206 ( 0.000 -9.142 0.000) 9.142 16.994 ( -0.000 1.275 -0.000) 1.275 19.672 ( 0.000 -1.723 0.000) 1.723 19.832 ( -0.000 4.467 -0.000) 4.467 20.156 ( -0.000 5.707 -0.000) 5.707 21.111 ( 0.000 -0.793 0.000) 0.793 21.665 ( 0.000 -1.988 0.000) 1.988 23.867 ( -0.000 0.730 -0.000) 0.730 24.227 ( 0.000 -0.374 0.000) 0.374 ======================= Grid point 24 (17/432) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 5.077 0.000 30.609) 31.028 1.805 ( 24.798 0.000 15.698) 29.349 3.513 ( -2.463 -0.000 -3.862) 4.581 3.539 ( 3.254 0.000 -3.080) 4.481 3.871 ( -0.876 -0.000 0.169) 0.893 4.011 ( 28.880 0.000 25.997) 38.858 4.625 ( 4.853 0.000 -5.514) 7.345 4.823 ( 3.404 0.000 10.006) 10.569 5.068 ( 6.005 0.000 -23.038) 23.808 5.361 ( -4.023 -0.000 -8.135) 9.076 5.658 ( -11.486 -0.000 7.216) 13.565 5.986 ( 6.441 0.000 12.570) 14.124 6.265 ( -10.027 -0.000 0.027) 10.027 6.898 ( 2.876 0.000 -4.047) 4.964 7.021 ( 0.605 0.000 -4.025) 4.070 7.438 ( 3.770 0.000 -3.205) 4.948 8.462 ( -10.561 -0.000 6.666) 12.489 9.228 ( -5.241 -0.000 1.425) 5.431 9.921 ( -1.426 -0.000 0.846) 1.658 10.009 ( 19.282 0.000 5.134) 19.954 10.910 ( -8.651 -0.000 -7.556) 11.486 11.758 ( 22.035 0.000 -1.124) 22.063 12.097 ( -7.797 -0.000 19.287) 20.803 12.362 ( 4.018 0.000 -0.417) 4.039 12.559 ( -0.828 -0.000 -15.295) 15.318 13.512 ( -6.551 -0.000 -4.326) 7.851 13.645 ( 4.539 0.000 13.718) 14.449 15.008 ( -13.069 -0.000 -18.176) 22.387 18.280 ( -13.425 -0.000 11.409) 17.618 18.867 ( -14.609 -0.000 -8.061) 16.685 19.203 ( 15.905 0.000 -3.233) 16.231 19.788 ( -7.361 -0.000 -6.591) 9.881 21.664 ( 0.805 0.000 16.077) 16.097 22.881 ( 10.834 0.000 -22.472) 24.947 23.349 ( 6.504 0.000 0.958) 6.574 23.965 ( -2.558 -0.000 3.950) 4.706 ======================= Grid point 25 (18/432) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 6.474 -1.453 24.964) 25.831 2.329 ( 21.610 -7.292 15.921) 27.814 3.379 ( -6.391 3.736 -5.995) 9.526 3.487 ( -3.132 1.401 -4.544) 5.694 3.786 ( -6.695 1.791 -5.022) 8.558 4.509 ( 13.254 4.935 2.484) 14.359 4.658 ( 12.243 -4.264 -1.871) 13.099 4.883 ( 8.427 -2.791 -19.442) 21.372 5.028 ( 2.764 -1.486 11.097) 11.532 5.220 ( -5.125 -0.553 -6.647) 8.412 5.554 ( -15.496 1.479 7.930) 17.470 6.144 ( -4.218 0.983 -0.208) 4.336 6.218 ( 2.757 -2.548 8.388) 9.190 6.828 ( -2.111 6.859 0.904) 7.233 6.952 ( -2.775 5.116 -2.859) 6.485 7.560 ( 6.236 -15.302 1.321) 16.576 8.384 ( -9.757 -1.655 1.726) 10.045 9.180 ( -5.735 -0.974 1.912) 6.124 9.863 ( -3.430 5.313 -1.083) 6.416 10.405 ( 24.221 -0.770 9.847) 26.157 10.708 ( -6.573 -0.334 -7.833) 10.231 12.016 ( 4.713 22.661 0.577) 23.153 12.072 ( 8.034 2.625 8.843) 12.232 12.388 ( -1.407 -2.859 1.761) 3.641 12.560 ( 2.253 -22.037 -4.698) 22.645 13.367 ( -6.382 2.313 -3.991) 7.874 13.885 ( 6.589 -1.759 13.779) 15.375 14.639 ( -11.627 0.162 -16.795) 20.427 18.211 ( -6.274 4.089 1.453) 7.629 18.638 ( -12.363 -7.051 -4.820) 15.027 19.376 ( 17.067 4.306 -2.488) 17.777 19.619 ( -4.974 -0.273 -6.782) 8.415 21.816 ( -2.913 5.236 15.094) 16.239 22.766 ( 6.815 -3.462 -18.940) 20.424 23.461 ( 7.079 -2.729 0.780) 7.627 23.965 ( -4.460 1.585 5.035) 6.911 ======================= Grid point 26 (19/432) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 6.226 2.681 13.680) 15.268 2.816 ( 14.363 -7.843 13.701) 21.343 3.147 ( -10.285 3.396 -8.836) 13.978 3.354 ( -5.286 2.004 -4.669) 7.332 3.581 ( -9.295 1.866 -7.112) 11.852 4.440 ( 1.269 2.419 -13.227) 13.506 4.815 ( 6.775 -11.176 -7.844) 15.242 4.860 ( 1.173 5.647 -4.078) 7.063 5.093 ( -0.009 -3.065 -9.067) 9.571 5.141 ( -8.476 -1.805 8.904) 12.425 5.476 ( -4.579 2.168 6.380) 8.147 6.036 ( -3.644 0.043 -7.347) 8.201 6.328 ( -3.367 -3.192 4.036) 6.149 6.792 ( -1.734 9.407 6.900) 11.794 6.870 ( -0.744 3.484 3.823) 5.225 7.812 ( 1.608 -17.633 4.787) 18.342 8.309 ( -2.348 -3.166 -1.252) 4.135 9.138 ( -5.404 -0.398 2.063) 5.798 9.733 ( -6.022 3.405 -3.499) 7.753 10.466 ( -4.292 4.516 -9.655) 11.490 10.925 ( 22.917 -5.587 10.669) 25.889 11.730 ( -3.164 32.419 0.771) 32.582 12.351 ( 13.382 0.051 5.158) 14.342 12.413 ( -1.249 -0.824 2.816) 3.189 12.755 ( 0.470 -20.571 2.921) 20.782 13.242 ( -2.276 2.488 -2.207) 4.030 14.084 ( 2.007 0.313 -2.827) 3.481 14.397 ( -3.475 -4.601 1.120) 5.873 18.096 ( -2.800 3.341 -4.718) 6.424 18.547 ( -8.453 -10.205 -1.223) 13.307 19.439 ( 7.742 6.509 -5.522) 11.524 19.613 ( 9.697 -0.646 0.076) 9.719 21.839 ( -5.293 10.505 9.826) 15.327 22.677 ( 1.177 -8.393 -14.569) 16.855 23.591 ( 6.789 -3.368 1.224) 7.676 23.944 ( -4.777 3.328 5.735) 8.172 ======================= Grid point 27 (20/432) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 2.132 12.381 -3.862) 13.143 2.768 ( -14.008 8.026 -8.683) 18.331 3.163 ( -0.516 -2.245 3.146) 3.899 3.295 ( 2.795 -6.062 1.366) 6.813 3.417 ( -5.720 -6.595 -3.655) 9.464 4.259 ( -6.666 4.332 -9.169) 12.136 4.584 ( -15.887 7.550 -7.881) 19.275 4.907 ( 3.098 -9.369 -13.640) 16.835 5.026 ( -1.566 -7.682 -2.526) 8.237 5.135 ( -4.921 -4.501 3.593) 7.575 5.505 ( 1.087 2.412 2.241) 3.468 5.902 ( -0.799 1.884 -8.083) 8.338 6.275 ( -12.917 -4.053 0.501) 13.547 6.736 ( -3.761 5.861 3.061) 7.607 6.999 ( 6.372 2.576 11.846) 13.695 7.903 ( -8.649 -3.622 4.786) 10.527 8.437 ( 10.385 -15.482 -0.654) 18.654 9.087 ( -5.857 0.526 1.757) 6.137 9.598 ( -6.976 -2.914 -3.740) 8.434 10.226 ( -5.217 5.339 -13.381) 15.322 11.354 ( 17.597 -0.646 8.165) 19.409 11.457 ( 2.100 31.135 2.804) 31.331 12.410 ( -3.203 0.449 3.151) 4.515 12.480 ( 2.630 8.641 2.793) 9.455 12.978 ( 1.075 -17.384 5.267) 18.196 13.277 ( 9.096 -0.275 3.931) 9.913 13.851 ( -7.316 3.322 -16.842) 18.661 14.655 ( 7.947 -9.611 15.619) 19.987 17.974 ( -2.078 -1.843 -10.727) 11.081 18.563 ( -2.914 -8.468 4.488) 10.017 19.469 ( 12.291 4.503 -2.640) 13.354 19.769 ( 11.527 1.740 2.522) 11.927 21.746 ( -6.359 11.180 3.516) 13.334 22.580 ( -6.438 -10.084 -10.606) 15.988 23.713 ( 4.805 -2.454 2.336) 5.880 23.926 ( -2.738 4.634 5.660) 7.811 ======================= Grid point 28 (21/432) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -2.958 19.292 -16.455) 25.528 2.409 ( -14.510 12.437 -7.189) 20.418 3.155 ( -2.363 -5.774 -0.311) 6.246 3.308 ( -5.315 -9.458 -4.360) 11.692 3.507 ( 2.636 -5.384 -0.525) 6.018 3.851 ( -19.571 20.211 -11.372) 30.345 4.349 ( -10.315 -4.412 0.968) 11.260 4.743 ( -0.448 -3.865 -19.550) 19.933 5.099 ( -9.547 -12.473 6.169) 16.875 5.214 ( 4.572 -9.875 -0.664) 10.902 5.484 ( -2.743 1.177 -1.017) 3.153 5.818 ( 3.118 3.109 -5.148) 6.774 6.090 ( -17.991 -3.731 -2.123) 18.496 6.688 ( -2.463 2.129 1.804) 3.722 7.195 ( 5.440 1.556 9.312) 10.896 7.865 ( -5.350 3.227 7.327) 9.629 8.718 ( 10.777 -19.609 -3.114) 22.591 9.022 ( -6.629 -0.121 1.926) 6.904 9.522 ( -7.556 -8.909 -1.824) 11.824 9.958 ( -3.601 6.336 -12.851) 14.773 11.203 ( 0.082 33.477 3.218) 33.632 11.670 ( 14.569 -0.495 2.240) 14.748 12.363 ( -4.284 7.798 0.263) 8.901 12.426 ( -2.231 6.822 4.517) 8.481 13.177 ( 0.563 -13.013 5.779) 14.249 13.494 ( -0.556 3.243 -1.905) 3.802 13.578 ( 8.749 0.073 -3.710) 9.503 15.035 ( 8.827 -11.632 14.877) 20.845 17.806 ( -3.397 -6.723 -18.615) 20.082 18.738 ( 5.721 -5.439 12.361) 14.666 19.605 ( 17.623 5.873 -1.459) 18.633 19.941 ( 10.332 1.260 5.057) 11.572 21.574 ( -8.510 9.201 -1.683) 12.646 22.422 ( -14.385 -10.264 -8.254) 19.504 23.811 ( 2.519 -0.988 4.243) 5.032 23.931 ( 0.475 5.418 5.016) 7.399 ======================= Grid point 29 (22/432) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -2.743 22.651 -16.613) 28.224 1.980 ( -17.079 15.622 -12.302) 26.212 3.051 ( -22.713 26.644 -9.183) 36.196 3.217 ( -1.196 -10.666 1.453) 10.831 3.355 ( 0.595 -5.374 -10.127) 11.480 3.607 ( -1.670 -1.325 -0.642) 2.226 4.326 ( -6.486 -7.073 3.193) 10.114 4.585 ( 2.793 -3.778 -14.441) 15.186 5.106 ( -13.639 -10.004 4.404) 17.478 5.327 ( 0.613 -9.197 -2.798) 9.632 5.433 ( -7.022 -6.754 1.782) 9.905 5.811 ( 5.604 3.188 -2.139) 6.793 5.857 ( -14.683 -4.506 -4.807) 16.093 6.683 ( -0.275 -0.551 1.528) 1.647 7.281 ( -1.373 2.510 3.104) 4.221 7.920 ( 2.837 4.720 10.897) 12.210 8.931 ( 6.079 -8.465 -2.294) 10.671 8.992 ( -3.350 -12.409 -1.537) 12.945 9.504 ( -8.966 -13.455 0.822) 16.190 9.763 ( -0.488 4.368 -7.583) 8.764 10.939 ( -1.965 32.315 0.586) 32.380 11.798 ( 8.208 3.904 -3.165) 9.625 12.209 ( -3.915 14.069 0.071) 14.604 12.417 ( -1.775 2.366 4.017) 4.989 13.230 ( -6.309 3.543 -7.271) 10.258 13.388 ( 2.137 -11.112 3.763) 11.925 13.869 ( 15.000 2.598 12.199) 19.508 15.408 ( 7.442 -13.201 12.845) 19.866 17.571 ( -3.956 -9.044 -25.080) 26.953 19.062 ( 14.101 -1.897 14.389) 20.236 19.766 ( 18.049 8.006 -1.579) 19.808 20.133 ( 10.139 1.528 6.629) 12.209 21.340 ( -11.528 6.305 -3.912) 13.710 22.182 ( -21.798 -10.396 -7.686) 25.343 23.884 ( 1.227 -0.835 1.424) 2.057 23.979 ( 3.021 6.209 9.340) 11.615 ======================= Grid point 30 (23/432) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.432 25.089 -12.282) 27.970 1.407 ( -20.170 19.159 -17.330) 32.775 2.405 ( -13.000 45.600 -3.912) 47.578 3.277 ( -3.593 -9.719 -0.795) 10.392 3.406 ( 2.608 -14.503 -2.893) 15.017 3.591 ( 0.044 0.492 -0.731) 0.883 4.364 ( 1.240 -7.011 -0.601) 7.145 4.533 ( 1.598 -3.406 -6.390) 7.415 5.045 ( -12.082 -9.868 1.953) 15.721 5.314 ( -11.583 -4.783 6.171) 13.968 5.425 ( -5.278 -11.597 -6.602) 14.350 5.709 ( -2.967 -4.442 -4.031) 6.692 5.859 ( 4.148 1.104 -0.274) 4.301 6.716 ( 0.959 -1.622 1.045) 2.155 7.214 ( -4.545 4.776 -0.452) 6.609 8.073 ( 6.605 4.426 8.686) 11.775 9.014 ( 0.017 -0.194 11.111) 11.112 9.098 ( 4.392 -21.893 -10.847) 24.825 9.524 ( -9.462 -17.856 -0.025) 20.208 9.693 ( 0.019 0.162 -1.928) 1.935 10.619 ( -3.965 32.121 -2.149) 32.436 11.758 ( 2.851 9.370 -5.136) 11.059 12.039 ( -2.509 16.758 0.157) 16.945 12.426 ( -0.664 0.914 2.341) 2.600 13.073 ( -2.821 1.782 -4.206) 5.369 13.567 ( 2.041 -10.630 4.224) 11.619 14.184 ( 12.201 2.692 15.540) 19.940 15.740 ( 4.861 -14.332 10.559) 18.454 17.274 ( -3.841 -6.643 -28.492) 29.507 19.429 ( 18.269 0.627 9.628) 20.660 19.889 ( 13.332 7.563 -1.706) 15.423 20.293 ( 7.946 6.500 3.806) 10.948 21.127 ( -9.812 1.454 0.020) 9.919 21.858 ( -25.811 -8.943 -7.689) 28.378 23.894 ( 0.398 0.816 -0.496) 1.035 24.113 ( 3.913 2.976 10.859) 11.919 ======================= Grid point 31 (24/432) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.000 25.625 -0.000) 25.625 0.979 ( -0.000 27.645 -0.000) 27.645 1.885 ( -0.000 52.498 -0.000) 52.498 3.320 ( 0.000 -8.404 0.000) 8.404 3.529 ( 0.000 -13.580 0.000) 13.580 3.584 ( -0.000 0.688 -0.000) 0.688 4.432 ( 0.000 -5.715 0.000) 5.715 4.525 ( 0.000 -2.269 0.000) 2.269 5.038 ( 0.000 -8.569 0.000) 8.569 5.346 ( 0.000 -6.754 0.000) 6.754 5.360 ( 0.000 -4.693 0.000) 4.693 5.724 ( 0.000 -5.670 0.000) 5.670 5.875 ( -0.000 1.328 -0.000) 1.328 6.743 ( 0.000 -1.152 0.000) 1.152 7.129 ( -0.000 4.953 -0.000) 4.953 8.148 ( -0.000 3.801 -0.000) 3.801 9.179 ( 0.000 -4.706 0.000) 4.706 9.236 ( 0.000 -22.730 0.000) 22.730 9.573 ( 0.000 -19.425 0.000) 19.425 9.689 ( 0.000 -1.202 0.000) 1.202 10.286 ( -0.000 32.169 -0.000) 32.169 11.641 ( -0.000 12.932 -0.000) 12.932 11.873 ( -0.000 18.600 -0.000) 18.600 12.431 ( -0.000 0.406 -0.000) 0.406 13.025 ( -0.000 0.430 -0.000) 0.430 13.691 ( 0.000 -9.007 0.000) 9.007 14.418 ( 0.000 -3.721 0.000) 3.721 15.991 ( 0.000 -15.970 0.000) 15.970 17.024 ( -0.000 2.136 -0.000) 2.136 19.647 ( 0.000 -1.176 0.000) 1.176 19.922 ( -0.000 5.970 -0.000) 5.970 20.288 ( -0.000 9.556 -0.000) 9.556 21.091 ( 0.000 -1.524 0.000) 1.524 21.617 ( 0.000 -3.632 0.000) 3.632 23.883 ( -0.000 1.167 -0.000) 1.167 24.218 ( 0.000 -0.657 0.000) 0.657 ======================= Grid point 36 (25/432) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 6.063 0.000 18.223) 19.205 2.740 ( 18.453 0.000 14.036) 23.184 3.181 ( -11.640 -0.000 -9.406) 14.966 3.376 ( -5.489 -0.000 -6.221) 8.296 3.594 ( -11.729 -0.000 -7.629) 13.992 4.493 ( 1.373 0.000 -18.898) 18.947 4.668 ( 7.355 0.000 -3.906) 8.328 4.945 ( 10.395 0.000 -5.795) 11.901 5.051 ( -8.263 -0.000 -7.322) 11.040 5.122 ( -8.577 -0.000 9.060) 12.476 5.495 ( -5.089 -0.000 6.418) 8.191 6.038 ( -2.844 -0.000 -6.518) 7.111 6.300 ( -3.861 -0.000 3.664) 5.323 6.877 ( 0.699 0.000 8.573) 8.602 6.917 ( -8.044 -0.000 1.972) 8.282 7.633 ( 8.580 0.000 5.862) 10.391 8.282 ( -5.127 -0.000 -1.381) 5.310 9.137 ( -5.479 -0.000 3.387) 6.441 9.760 ( -9.224 -0.000 -5.291) 10.633 10.514 ( -5.232 -0.000 -10.572) 11.796 10.872 ( 26.138 0.000 11.310) 28.480 12.198 ( -3.150 -0.000 -3.425) 4.654 12.304 ( -3.360 -0.000 12.522) 12.965 12.353 ( 14.053 0.000 9.049) 16.715 12.490 ( 6.235 0.000 -4.396) 7.629 13.267 ( -3.819 -0.000 -2.338) 4.478 14.083 ( 4.172 0.000 0.991) 4.288 14.357 ( -6.248 -0.000 -3.057) 6.956 18.135 ( -4.528 -0.000 -6.465) 7.893 18.449 ( -6.369 -0.000 -0.241) 6.374 19.504 ( -0.209 -0.000 -4.460) 4.465 19.597 ( 16.983 0.000 -1.812) 17.079 21.950 ( -7.549 -0.000 14.677) 16.505 22.586 ( 3.832 0.000 -20.411) 20.768 23.562 ( 7.168 0.000 1.937) 7.425 23.973 ( -4.918 -0.000 5.977) 7.740 ======================= Grid point 37 (26/432) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 4.471 5.104 3.559) 7.662 2.855 ( -14.867 2.502 -8.344) 17.231 3.128 ( 10.616 -1.586 8.761) 13.855 3.222 ( -4.867 -1.966 -4.962) 7.223 3.343 ( -11.944 -2.451 -8.928) 15.112 4.301 ( -2.558 1.153 -9.713) 10.111 4.720 ( -3.264 1.978 -7.565) 8.473 4.780 ( -4.799 2.135 -6.297) 8.200 4.914 ( -8.554 -7.113 -7.111) 13.203 5.069 ( -5.928 -2.491 0.262) 6.436 5.538 ( 1.434 1.116 2.086) 2.766 5.928 ( 0.404 0.951 -8.338) 8.401 6.225 ( -12.731 -1.662 1.817) 12.967 6.808 ( -9.617 2.400 2.522) 10.228 7.041 ( 6.312 1.638 11.140) 12.908 7.845 ( 6.138 -2.355 7.654) 10.089 8.241 ( -0.148 -6.497 -2.012) 6.803 9.105 ( -5.609 0.877 3.590) 6.717 9.551 ( -11.365 -1.895 -6.749) 13.353 10.302 ( -4.201 2.763 -13.616) 14.515 11.318 ( 22.218 -1.347 8.900) 23.972 12.014 ( 0.245 30.024 4.266) 30.327 12.411 ( -3.718 -0.880 5.787) 6.934 12.573 ( 7.395 0.455 2.452) 7.804 12.635 ( 1.969 -19.532 4.072) 20.049 13.272 ( 6.815 -0.147 3.189) 7.526 13.889 ( -7.083 1.126 -17.541) 18.951 14.530 ( 7.137 -4.298 15.399) 17.508 17.957 ( -4.992 -0.417 -12.916) 13.853 18.465 ( 0.560 -3.016 6.775) 7.437 19.521 ( 7.808 1.614 0.483) 7.988 19.786 ( 14.731 0.389 -1.057) 14.774 21.936 ( -9.974 9.089 8.833) 16.127 22.410 ( -1.655 -8.202 -18.322) 20.142 23.681 ( 6.047 -1.061 2.618) 6.674 23.981 ( -3.580 1.700 6.440) 7.562 ======================= Grid point 38 (27/432) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -3.283 14.975 -12.594) 19.840 2.559 ( -12.000 5.210 -7.381) 15.020 3.074 ( -5.674 -3.723 -3.588) 7.677 3.147 ( -8.909 -8.740 -7.947) 14.796 3.420 ( 7.711 -4.261 6.045) 10.685 4.163 ( -9.163 10.309 -0.934) 13.824 4.320 ( -15.792 6.269 -9.893) 19.661 4.688 ( -0.723 -2.189 -15.597) 15.767 4.871 ( -9.964 -13.504 3.578) 17.159 5.056 ( -0.022 -8.537 -2.561) 8.913 5.516 ( -2.929 1.855 -2.405) 4.220 5.859 ( 3.631 1.762 -5.719) 6.999 6.047 ( -16.902 -1.654 -1.175) 17.024 6.707 ( -7.441 0.349 1.777) 7.658 7.238 ( 7.250 2.949 9.504) 12.311 7.937 ( -0.273 6.096 6.802) 9.138 8.380 ( 6.509 -18.778 -2.128) 19.988 9.048 ( -6.804 2.276 2.866) 7.725 9.379 ( -10.399 -7.258 -4.416) 13.428 10.057 ( -2.974 4.668 -14.170) 15.213 11.653 ( 15.968 0.915 4.425) 16.595 11.809 ( 1.862 34.269 4.727) 34.643 12.406 ( -3.885 1.101 3.240) 5.178 12.582 ( -1.713 7.628 0.874) 7.867 12.882 ( 0.536 -21.924 5.051) 22.504 13.519 ( 13.222 -0.290 8.347) 15.639 13.586 ( -4.140 1.068 -14.745) 15.353 14.856 ( 8.047 -8.587 13.496) 17.906 17.725 ( -5.920 -3.004 -17.010) 18.259 18.670 ( 8.457 -2.672 14.150) 16.700 19.680 ( 14.751 3.182 3.863) 15.577 19.953 ( 11.867 0.148 0.834) 11.897 21.757 ( -10.099 12.031 -0.750) 15.725 22.239 ( -10.263 -11.371 -13.137) 20.179 23.790 ( 4.107 -1.105 3.028) 5.221 24.005 ( -0.885 3.061 6.298) 7.058 ======================= Grid point 39 (28/432) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -3.846 19.094 -13.117) 23.482 2.208 ( -13.731 11.725 -12.958) 22.225 3.036 ( -2.208 -10.684 -3.785) 11.548 3.068 ( -7.063 -11.333 -3.367) 13.772 3.554 ( 4.172 2.010 1.208) 4.786 3.698 ( -16.706 25.538 -7.733) 31.481 4.206 ( -5.377 -6.921 0.432) 8.775 4.544 ( 2.229 -0.775 -11.405) 11.647 4.875 ( -16.367 -15.458 5.518) 23.179 5.134 ( 3.064 -12.974 -4.874) 14.194 5.389 ( -9.367 -0.042 -2.853) 9.792 5.814 ( -13.528 -1.178 -4.280) 14.237 5.858 ( 5.271 2.173 -2.825) 6.363 6.659 ( -4.034 -2.057 1.675) 4.828 7.357 ( 2.898 6.214 4.836) 8.390 7.983 ( 1.379 3.148 8.695) 9.350 8.597 ( 7.564 -19.997 -6.049) 22.219 8.976 ( -7.008 0.830 3.869) 8.048 9.293 ( -10.058 -10.890 -1.373) 14.888 9.844 ( -0.600 4.606 -11.037) 11.975 11.551 ( 0.916 38.192 2.790) 38.304 11.850 ( 9.729 2.245 0.047) 9.984 12.366 ( -3.766 4.115 1.607) 5.805 12.491 ( -2.702 6.731 1.107) 7.337 13.124 ( 0.959 -18.230 5.469) 19.056 13.303 ( -5.766 2.521 -12.102) 13.640 13.878 ( 15.618 -0.789 11.336) 19.314 15.181 ( 6.488 -12.797 10.337) 17.684 17.468 ( -5.994 -3.750 -18.618) 19.915 19.032 ( 14.934 -1.458 17.383) 22.963 19.891 ( 16.416 6.851 2.124) 17.915 20.137 ( 10.975 -1.191 6.050) 12.589 21.476 ( -11.687 9.658 -6.650) 16.555 22.013 ( -17.351 -10.097 -10.764) 22.779 23.871 ( 2.182 -0.687 2.286) 3.234 24.057 ( 1.755 3.264 6.523) 7.502 ======================= Grid point 40 (29/432) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -2.872 21.863 -12.294) 25.246 1.731 ( -13.471 19.196 -11.293) 26.028 3.032 ( -6.381 6.718 3.620) 9.947 3.104 ( -2.483 -9.856 0.349) 10.170 3.216 ( -3.730 13.166 -9.981) 16.937 3.597 ( 1.020 0.331 -0.452) 1.164 4.246 ( 2.799 -6.900 -0.439) 7.459 4.487 ( -0.275 -1.738 -3.966) 4.339 4.837 ( -14.275 -14.318 2.046) 20.322 5.210 ( 2.330 -12.189 -6.785) 14.143 5.250 ( -13.004 -4.513 2.475) 13.985 5.652 ( -4.226 -2.301 -4.668) 6.704 5.889 ( 4.062 1.935 -0.473) 4.524 6.670 ( -1.149 -3.608 1.393) 4.035 7.327 ( -1.453 8.760 0.993) 8.935 8.112 ( 4.025 -0.057 7.565) 8.569 8.756 ( 5.042 -17.903 -8.064) 20.272 8.974 ( -3.337 -3.523 6.532) 8.137 9.256 ( -9.308 -13.270 -0.854) 16.231 9.719 ( 0.833 2.524 -5.729) 6.316 11.245 ( -0.225 40.063 0.658) 40.069 11.889 ( 3.920 5.995 -2.041) 7.448 12.273 ( -2.055 10.467 0.157) 10.668 12.446 ( -1.463 1.875 1.464) 2.793 13.110 ( -3.189 2.514 -5.658) 6.964 13.343 ( 1.328 -16.193 3.241) 16.567 14.184 ( 10.188 -1.609 9.779) 14.213 15.471 ( 3.769 -16.513 6.784) 18.246 17.214 ( -4.509 -1.384 -16.003) 16.683 19.429 ( 15.150 -0.277 13.010) 19.971 20.013 ( 10.366 6.964 -0.754) 12.511 20.382 ( 12.161 3.747 8.395) 15.244 21.176 ( -11.589 4.434 -5.702) 13.656 21.723 ( -18.810 -7.547 -9.560) 22.409 23.906 ( 0.697 0.544 0.577) 1.056 24.144 ( 2.614 1.110 5.951) 6.594 ======================= Grid point 41 (30/432) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 24.435 -0.000) 24.435 1.421 ( -0.000 24.815 -0.000) 24.815 2.709 ( -0.000 45.156 -0.000) 45.156 3.148 ( 0.000 -11.930 0.000) 11.930 3.272 ( 0.000 -16.582 0.000) 16.582 3.595 ( -0.000 0.654 -0.000) 0.654 4.337 ( 0.000 -5.407 0.000) 5.407 4.474 ( 0.000 -3.747 0.000) 3.747 4.853 ( 0.000 -12.763 0.000) 12.763 5.223 ( 0.000 -8.033 0.000) 8.033 5.260 ( 0.000 -7.189 0.000) 7.189 5.634 ( 0.000 -4.584 0.000) 4.584 5.901 ( -0.000 1.669 -0.000) 1.669 6.704 ( 0.000 -3.467 0.000) 3.467 7.241 ( -0.000 8.481 -0.000) 8.481 8.195 ( -0.000 0.979 -0.000) 0.979 8.880 ( 0.000 -18.632 0.000) 18.632 9.072 ( 0.000 -7.694 0.000) 7.694 9.282 ( 0.000 -14.770 0.000) 14.770 9.681 ( -0.000 0.639 -0.000) 0.639 10.904 ( -0.000 40.096 -0.000) 40.096 11.830 ( -0.000 9.312 -0.000) 9.312 12.155 ( -0.000 14.339 -0.000) 14.339 12.438 ( -0.000 0.477 -0.000) 0.477 13.042 ( -0.000 1.582 -0.000) 1.582 13.500 ( 0.000 -13.847 0.000) 13.847 14.350 ( 0.000 -4.094 0.000) 4.094 15.693 ( 0.000 -18.747 0.000) 18.747 17.062 ( -0.000 2.312 -0.000) 2.312 19.633 ( 0.000 -0.596 0.000) 0.596 20.026 ( -0.000 6.150 -0.000) 6.150 20.462 ( -0.000 10.743 -0.000) 10.743 21.061 ( 0.000 -2.011 0.000) 2.011 21.546 ( 0.000 -4.653 0.000) 4.653 23.904 ( -0.000 1.185 -0.000) 1.185 24.206 ( 0.000 -0.756 0.000) 0.756 ======================= Grid point 48 (31/432) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.205 0.000 -10.224) 10.459 2.563 ( -15.147 -0.000 -7.305) 16.817 3.041 ( -7.206 -0.000 -6.087) 9.433 3.061 ( -11.385 -0.000 -9.580) 14.879 3.381 ( 9.034 0.000 8.200) 12.201 4.188 ( -5.278 -0.000 -2.154) 5.701 4.517 ( -14.849 -0.000 -10.548) 18.214 4.626 ( -15.626 -0.000 -1.510) 15.699 4.725 ( 3.487 0.000 -7.288) 8.079 4.972 ( -3.506 -0.000 -3.500) 4.954 5.533 ( -2.780 -0.000 -3.102) 4.165 5.874 ( 3.848 0.000 -6.138) 7.244 6.033 ( -16.482 -0.000 -0.509) 16.489 6.708 ( -9.364 -0.000 1.678) 9.513 7.268 ( 8.144 0.000 10.099) 12.973 8.057 ( 9.863 0.000 7.885) 12.627 8.148 ( -3.201 -0.000 -3.085) 4.445 9.075 ( -6.236 -0.000 3.200) 7.009 9.310 ( -11.440 -0.000 -5.859) 12.854 10.098 ( -3.349 -0.000 -14.399) 14.784 11.653 ( 17.193 0.000 4.886) 17.874 12.248 ( 0.819 0.000 6.334) 6.387 12.477 ( -4.534 -0.000 12.054) 12.879 12.495 ( 2.527 0.000 -4.659) 5.300 12.650 ( -2.049 -0.000 0.259) 2.065 13.512 ( 16.647 0.000 9.875) 19.355 13.597 ( -7.200 -0.000 -16.517) 18.019 14.779 ( 7.815 0.000 12.950) 15.126 17.701 ( -6.586 -0.000 -16.365) 17.640 18.648 ( 9.310 0.000 14.745) 17.439 19.708 ( 13.411 0.000 6.721) 15.001 19.952 ( 12.562 0.000 -1.436) 12.644 21.911 ( -14.980 -0.000 6.701) 16.410 22.093 ( -4.330 -0.000 -22.215) 22.633 23.780 ( 4.503 0.000 3.065) 5.447 24.031 ( -1.257 -0.000 6.332) 6.456 ======================= Grid point 50 (32/432) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -7.376 10.710 -7.789) 15.158 2.358 ( -5.746 5.031 -14.974) 16.809 2.867 ( -6.780 -7.729 -7.815) 12.914 2.912 ( -5.964 -5.565 -4.605) 9.367 3.543 ( 3.834 -0.787 4.100) 5.668 4.102 ( -8.626 5.823 -6.910) 12.492 4.129 ( -9.514 10.663 -0.891) 14.318 4.523 ( -6.869 -5.929 0.795) 9.109 4.660 ( -7.570 -5.549 -3.720) 10.096 4.938 ( 0.772 -8.391 -4.666) 9.632 5.395 ( -9.646 0.310 -5.529) 11.122 5.805 ( -13.221 -0.181 -4.218) 13.879 5.882 ( 5.231 0.712 -2.852) 6.000 6.629 ( -6.022 -1.126 1.538) 6.317 7.459 ( 6.787 4.421 7.442) 10.999 8.039 ( -2.402 3.441 0.399) 4.216 8.317 ( 8.252 -11.554 1.964) 14.333 9.005 ( -7.129 2.220 1.917) 7.709 9.150 ( -9.134 -5.601 -2.512) 11.005 9.901 ( -1.739 1.851 -11.867) 12.136 11.869 ( 11.094 0.731 1.169) 11.179 12.166 ( 1.030 31.728 4.647) 32.083 12.404 ( -3.215 2.698 1.878) 4.598 12.584 ( -3.837 2.917 -0.975) 4.918 12.746 ( 0.694 -25.817 5.013) 26.308 13.336 ( -5.649 1.053 -12.838) 14.065 13.862 ( 15.923 -0.699 10.992) 19.362 15.019 ( 6.083 -5.381 8.776) 11.957 17.431 ( -6.482 -0.937 -15.511) 16.837 19.015 ( 15.331 -0.511 18.756) 24.230 19.993 ( 16.020 4.982 7.964) 18.571 20.097 ( 10.491 -3.197 2.437) 11.235 21.653 ( -12.285 11.055 -9.645) 19.135 21.838 ( -14.141 -10.800 -11.307) 21.082 23.863 ( 2.680 -0.269 2.741) 3.843 24.092 ( 0.925 1.040 5.311) 5.490 ======================= Grid point 51 (33/432) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -3.308 16.511 -13.604) 21.647 2.032 ( -7.805 15.584 -5.098) 18.160 2.843 ( -2.231 -13.967 -3.377) 14.541 2.883 ( -3.036 -12.269 -2.303) 12.847 3.575 ( -2.741 1.985 -1.278) 3.617 3.738 ( -4.865 25.579 -0.134) 26.038 4.142 ( 4.286 -5.155 -0.537) 6.726 4.486 ( -0.416 1.646 -6.142) 6.372 4.589 ( -15.439 -14.383 6.748) 22.154 5.002 ( 4.247 -11.339 -5.459) 13.282 5.195 ( -12.711 -2.333 -2.442) 13.152 5.629 ( -5.390 -0.664 -4.720) 7.195 5.915 ( 3.718 1.104 -0.907) 3.983 6.609 ( -2.521 -3.118 1.347) 4.230 7.502 ( 1.639 11.405 2.337) 11.757 8.058 ( 0.003 -6.414 2.938) 7.055 8.513 ( 7.043 -10.274 -1.679) 12.568 8.936 ( -4.994 -0.610 2.494) 5.615 9.083 ( -7.151 -7.409 -0.848) 10.332 9.761 ( -0.197 2.127 -6.757) 7.087 11.912 ( 1.374 37.699 1.151) 37.742 11.961 ( 3.968 3.337 0.135) 5.187 12.372 ( -2.092 2.118 1.293) 3.246 12.503 ( -2.170 4.118 -0.499) 4.682 13.013 ( 0.690 -23.197 3.203) 23.427 13.150 ( -3.020 1.729 -6.951) 7.774 14.153 ( 9.582 -1.647 7.690) 12.396 15.229 ( 3.304 -11.179 4.727) 12.579 17.206 ( -4.418 0.022 -10.806) 11.675 19.425 ( 14.218 -0.212 14.620) 20.395 20.114 ( 7.130 4.802 -0.509) 8.612 20.416 ( 15.854 0.528 13.610) 20.901 21.270 ( -12.573 6.264 -13.765) 19.667 21.600 ( -15.430 -6.966 -7.943) 18.701 23.912 ( 1.075 0.235 1.408) 1.787 24.156 ( 1.596 0.432 3.645) 4.002 ======================= Grid point 52 (34/432) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.000 21.664 -0.000) 21.664 1.804 ( -0.000 20.649 -0.000) 20.649 2.926 ( 0.000 -14.210 0.000) 14.210 2.987 ( 0.000 -16.833 0.000) 16.833 3.367 ( -0.000 30.521 -0.000) 30.521 3.621 ( -0.000 4.569 -0.000) 4.569 4.251 ( 0.000 -5.058 0.000) 5.058 4.410 ( 0.000 -3.262 0.000) 3.262 4.640 ( 0.000 -11.873 0.000) 11.873 5.087 ( 0.000 -7.500 0.000) 7.500 5.124 ( 0.000 -8.586 0.000) 8.586 5.579 ( 0.000 -2.034 0.000) 2.034 5.927 ( -0.000 1.281 -0.000) 1.281 6.635 ( 0.000 -4.321 0.000) 4.321 7.415 ( -0.000 12.196 -0.000) 12.196 8.150 ( 0.000 -6.881 0.000) 6.881 8.631 ( 0.000 -10.869 0.000) 10.869 8.954 ( 0.000 -5.384 0.000) 5.384 9.086 ( 0.000 -8.633 0.000) 8.633 9.705 ( -0.000 1.870 -0.000) 1.870 11.592 ( -0.000 40.808 -0.000) 40.808 11.951 ( -0.000 5.169 -0.000) 5.169 12.333 ( -0.000 6.184 -0.000) 6.184 12.458 ( -0.000 2.515 -0.000) 2.515 13.074 ( -0.000 2.026 -0.000) 2.026 13.219 ( 0.000 -19.934 0.000) 19.934 14.288 ( 0.000 -3.152 0.000) 3.152 15.394 ( 0.000 -15.780 0.000) 15.780 17.097 ( -0.000 1.757 -0.000) 1.757 19.626 ( 0.000 -0.240 0.000) 0.240 20.120 ( -0.000 4.820 -0.000) 4.820 20.632 ( -0.000 9.026 -0.000) 9.026 21.027 ( 0.000 -1.884 0.000) 1.884 21.467 ( 0.000 -4.561 0.000) 4.561 23.921 ( -0.000 0.846 -0.000) 0.846 24.194 ( 0.000 -0.606 0.000) 0.606 ======================= Grid point 61 (35/432) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -2.130 -0.000 -14.526) 14.681 2.186 ( -5.674 -0.000 -1.846) 5.966 2.695 ( -3.171 -0.000 -3.733) 4.898 2.758 ( -4.287 -0.000 -4.249) 6.036 3.580 ( -0.718 -0.000 -0.143) 0.732 4.049 ( -5.879 -0.000 -0.182) 5.882 4.060 ( 3.456 0.000 -3.267) 4.755 4.424 ( -15.370 -0.000 13.443) 20.419 4.514 ( -0.800 -0.000 -9.884) 9.917 4.887 ( 6.126 0.000 -3.951) 7.290 5.175 ( -13.565 -0.000 -4.396) 14.260 5.624 ( -5.784 -0.000 -4.732) 7.473 5.924 ( 3.583 0.000 -1.001) 3.721 6.581 ( -2.983 -0.000 1.251) 3.235 7.636 ( 4.572 0.000 4.675) 6.539 7.964 ( -3.217 -0.000 -2.895) 4.328 8.428 ( 7.145 0.000 3.131) 7.801 8.940 ( -6.173 -0.000 0.584) 6.201 9.014 ( -5.024 -0.000 -0.565) 5.056 9.780 ( -0.724 -0.000 -6.924) 6.962 11.983 ( 5.172 0.000 -0.086) 5.173 12.369 ( -2.466 -0.000 4.772) 5.371 12.445 ( 2.408 0.000 -4.090) 4.746 12.535 ( -3.313 -0.000 1.265) 3.546 12.636 ( -0.059 -0.000 3.663) 3.663 13.166 ( -2.971 -0.000 -7.143) 7.736 14.138 ( 9.472 0.000 7.209) 11.903 15.130 ( 3.184 0.000 4.094) 5.187 17.207 ( -4.352 -0.000 -9.419) 10.376 19.423 ( 13.996 0.000 15.127) 20.608 20.158 ( 5.167 0.000 -1.066) 5.275 20.416 ( 17.842 0.000 16.250) 24.133 21.344 ( -12.930 -0.000 -21.678) 25.241 21.522 ( -14.230 -0.000 -2.437) 14.437 23.914 ( 1.237 0.000 1.718) 2.117 24.160 ( 1.210 0.000 2.943) 3.182 ======================= Grid point 63 (36/432) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.000 12.223 -0.000) 12.223 2.087 ( -0.000 11.197 -0.000) 11.197 2.702 ( 0.000 -10.159 0.000) 10.159 2.746 ( 0.000 -9.862 0.000) 9.862 3.559 ( -0.000 1.157 -0.000) 1.157 3.903 ( -0.000 19.752 -0.000) 19.752 4.146 ( 0.000 -8.506 0.000) 8.506 4.386 ( -0.000 0.719 -0.000) 0.719 4.476 ( 0.000 -6.933 0.000) 6.933 4.994 ( 0.000 -2.990 0.000) 2.990 4.999 ( 0.000 -4.940 0.000) 4.940 5.559 ( 0.000 -0.483 0.000) 0.483 5.942 ( -0.000 0.461 -0.000) 0.461 6.578 ( 0.000 -1.981 0.000) 1.981 7.632 ( -0.000 11.978 -0.000) 11.978 7.982 ( 0.000 -10.985 0.000) 10.985 8.513 ( 0.000 -3.379 0.000) 3.379 8.901 ( 0.000 -1.223 0.000) 1.223 8.990 ( 0.000 -2.789 0.000) 2.789 9.731 ( -0.000 0.898 -0.000) 0.898 12.007 ( -0.000 1.638 -0.000) 1.638 12.236 ( -0.000 34.166 -0.000) 34.166 12.376 ( -0.000 0.529 -0.000) 0.529 12.510 ( -0.000 2.240 -0.000) 2.240 12.826 ( 0.000 -26.100 0.000) 26.100 13.101 ( -0.000 0.924 -0.000) 0.924 14.250 ( 0.000 -1.177 0.000) 1.177 15.201 ( 0.000 -6.311 0.000) 6.311 17.118 ( -0.000 0.653 -0.000) 0.653 19.624 ( 0.000 -0.059 0.000) 0.059 20.178 ( -0.000 1.871 -0.000) 1.871 20.745 ( -0.000 3.804 -0.000) 3.804 21.003 ( 0.000 -0.809 0.000) 0.809 21.406 ( 0.000 -2.172 0.000) 2.172 23.931 ( -0.000 0.302 -0.000) 0.302 24.187 ( 0.000 -0.232 0.000) 0.232 ======================= Grid point 125 (37/432) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -9.003 -0.000 26.014) 27.528 0.723 ( 15.043 0.000 34.322) 37.474 1.223 ( -11.373 -0.000 57.723) 58.832 3.448 ( 0.626 0.000 -1.595) 1.714 3.616 ( -0.355 -0.000 4.484) 4.498 3.837 ( -2.953 -0.000 4.910) 5.730 4.470 ( 3.276 0.000 -3.189) 4.572 5.032 ( 6.539 0.000 3.198) 7.279 5.177 ( 6.899 0.000 -5.967) 9.122 5.606 ( -15.046 -0.000 9.870) 17.994 5.769 ( -1.910 -0.000 -7.931) 8.158 5.915 ( -16.874 -0.000 10.570) 19.912 6.737 ( -0.990 -0.000 -0.013) 0.990 7.086 ( -0.196 -0.000 -2.542) 2.549 7.093 ( -35.937 -0.000 3.604) 36.117 7.192 ( -29.318 -0.000 4.160) 29.612 8.529 ( 1.867 0.000 4.491) 4.864 9.437 ( -0.959 -0.000 -8.001) 8.058 9.821 ( 0.897 0.000 5.317) 5.392 9.824 ( -3.350 -0.000 -3.494) 4.840 10.210 ( 26.932 0.000 6.144) 27.624 11.289 ( -0.339 -0.000 -2.134) 2.160 12.114 ( -16.577 -0.000 9.216) 18.966 12.370 ( -1.476 -0.000 -5.274) 5.476 12.837 ( 1.784 0.000 -8.155) 8.348 13.189 ( 1.088 0.000 7.892) 7.966 13.817 ( -0.525 -0.000 -2.374) 2.431 15.926 ( -1.524 -0.000 -11.068) 11.172 18.722 ( 2.654 0.000 -4.510) 5.234 19.537 ( 58.240 0.000 -0.096) 58.241 19.789 ( -6.402 -0.000 -0.568) 6.427 20.049 ( 0.750 0.000 -5.711) 5.760 21.072 ( 10.129 0.000 -3.536) 10.729 23.089 (-105.401 -0.000 -2.973) 105.443 23.126 ( -2.886 -0.000 5.611) 6.309 23.862 ( 2.263 0.000 0.009) 2.263 ======================= Grid point 126 (38/432) ======================= q-point: ( 0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 6.104 -15.699 22.080) 27.771 1.189 ( -3.865 -8.930 34.325) 35.678 2.032 ( 28.031 -6.518 44.650) 53.121 3.446 ( 4.073 2.060 -3.370) 5.674 3.649 ( -3.931 0.052 6.635) 7.713 3.841 ( -3.565 3.383 6.116) 7.846 4.479 ( 5.187 3.111 -3.514) 6.995 5.037 ( 0.874 -1.085 -6.726) 6.869 5.350 ( -36.289 6.100 19.868) 41.819 5.356 ( 13.344 0.875 6.098) 14.697 5.629 ( -3.623 -0.312 -9.931) 10.576 5.830 ( -6.803 2.199 11.125) 13.224 6.552 ( -2.425 30.287 9.395) 31.804 6.761 ( -3.304 4.576 4.103) 6.978 7.215 ( -2.498 -11.145 -4.795) 12.387 7.310 ( -2.754 -21.341 2.610) 21.676 8.643 ( -1.608 -6.758 7.928) 10.541 9.359 ( -0.700 -6.371 -6.693) 9.267 9.733 ( -0.328 1.280 -6.407) 6.542 9.872 ( 0.220 5.884 5.482) 8.045 10.611 ( 31.643 13.751 -1.779) 34.547 11.317 ( 0.131 -16.941 -3.504) 17.300 12.078 ( -7.911 10.412 18.301) 22.493 12.288 ( 0.123 -1.752 -7.018) 7.235 12.828 ( 0.502 -13.712 -10.068) 17.019 13.341 ( 2.957 -5.310 7.055) 9.312 13.759 ( -2.679 0.568 -3.636) 4.552 15.695 ( -6.653 2.842 -16.771) 18.265 18.662 ( 5.207 17.203 1.357) 18.025 19.328 ( -36.940 4.063 0.491) 37.166 19.653 ( -14.986 -7.779 -3.905) 17.330 20.094 ( 0.214 -1.569 -3.395) 3.746 21.196 ( 13.179 5.554 3.511) 14.727 22.474 ( 4.590 17.666 2.036) 18.366 23.290 ( -4.878 -23.724 -1.586) 24.272 23.902 ( 2.432 -0.106 1.084) 2.664 ======================= Grid point 127 (39/432) ======================= q-point: ( 0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 11.296 -15.445 18.475) 26.598 1.639 ( -0.826 -15.378 31.763) 35.299 2.928 ( 31.698 -6.853 28.901) 43.440 3.424 ( 4.080 5.016 -4.388) 7.814 3.687 ( -3.372 0.582 9.595) 10.187 3.830 ( -1.448 5.819 3.645) 7.018 4.452 ( 4.722 6.714 -5.047) 9.636 4.944 ( -4.433 -5.690 -5.048) 8.804 5.177 ( -15.534 2.043 11.243) 19.284 5.472 ( -3.246 0.652 -8.297) 8.933 5.630 ( 11.514 1.318 13.589) 17.860 5.881 ( -5.605 2.064 11.597) 13.045 6.433 ( -2.201 16.076 7.688) 17.955 6.726 ( -5.506 4.534 6.023) 9.335 7.145 ( -3.767 -4.729 -10.839) 12.411 7.481 ( 1.487 -10.777 4.797) 11.890 8.761 ( -4.879 -7.139 8.664) 12.241 9.371 ( -1.619 -7.781 -2.054) 8.209 9.680 ( 5.376 -0.134 -4.190) 6.817 9.855 ( -0.831 8.756 4.112) 9.709 10.747 ( 15.355 17.560 -2.237) 23.433 11.494 ( 5.511 -22.498 -3.129) 23.374 12.073 ( -7.261 10.338 10.321) 16.313 12.260 ( 3.693 -0.622 -4.018) 5.493 12.859 ( 0.123 -17.874 -6.769) 19.113 13.506 ( 4.462 -1.819 8.187) 9.500 13.654 ( -5.147 1.334 -3.949) 6.623 15.343 ( -9.343 4.391 -19.806) 22.335 18.580 ( -6.550 18.845 8.500) 21.686 18.932 ( -9.506 2.263 -8.095) 12.689 19.468 ( -20.189 -13.698 -2.738) 24.550 19.992 ( -7.801 1.433 -4.340) 9.042 21.391 ( 13.665 6.437 7.028) 16.660 22.515 ( 15.459 5.002 -5.904) 17.287 23.372 ( -1.717 -13.758 -2.966) 14.178 23.944 ( 1.744 0.766 1.584) 2.477 ======================= Grid point 128 (40/432) ======================= q-point: ( 0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 8.942 -10.898 16.192) 21.469 2.157 ( 6.188 -17.862 26.526) 32.572 3.314 ( 2.781 6.738 -3.257) 7.984 3.498 ( 5.319 -1.073 2.720) 6.070 3.759 ( 0.575 8.597 -5.155) 10.040 3.915 ( 17.002 -1.387 21.161) 27.180 4.403 ( 5.828 3.793 -6.081) 9.238 4.929 ( 1.247 -9.790 -7.487) 12.387 5.141 ( -10.025 -2.082 12.019) 15.789 5.350 ( -3.637 1.397 -3.758) 5.413 5.847 ( -8.123 0.443 8.312) 11.631 5.949 ( 3.954 7.698 20.898) 22.618 6.404 ( -0.937 3.008 4.087) 5.160 6.680 ( -6.815 6.416 7.790) 12.178 6.973 ( -3.597 2.241 -10.766) 11.570 7.654 ( 4.996 -8.912 4.700) 11.246 8.809 ( -10.636 -6.956 5.537) 13.862 9.332 ( -3.562 0.985 -1.875) 4.144 9.703 ( -0.505 6.147 -1.134) 6.271 9.956 ( 13.065 -5.088 8.678) 16.489 10.728 ( 5.322 8.808 -2.949) 10.705 11.675 ( 1.713 -6.487 -3.264) 7.461 11.977 ( -3.289 2.544 1.933) 4.585 12.290 ( 6.315 -0.382 -3.017) 7.009 12.970 ( -0.960 -17.814 -0.452) 17.845 13.482 ( -6.612 5.444 -4.837) 9.837 13.719 ( 6.183 -3.042 10.688) 12.717 14.947 ( -9.470 4.716 -19.692) 22.354 18.356 ( -13.551 11.106 1.611) 17.594 18.853 ( 11.614 8.200 -5.497) 15.243 19.316 ( -19.757 -17.340 -0.658) 26.295 19.795 ( -8.736 3.114 -6.325) 11.226 21.564 ( 10.007 8.292 5.555) 14.133 22.623 ( 12.502 -2.874 -5.423) 13.927 23.430 ( 1.715 -9.091 -2.904) 9.697 23.963 ( 0.139 2.532 1.758) 3.086 ======================= Grid point 129 (41/432) ======================= q-point: ( 0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 3.863 -4.383 10.465) 11.985 2.673 ( 9.305 -14.579 19.091) 25.761 3.223 ( -0.210 6.079 -4.481) 7.555 3.460 ( -6.741 3.305 -0.596) 7.531 3.598 ( 0.685 8.506 -8.053) 11.733 4.396 ( 6.696 -3.759 7.699) 10.874 4.413 ( 20.042 -1.387 -4.320) 20.549 4.940 ( 1.102 -10.032 -6.605) 12.061 5.197 ( -4.955 -2.518 4.344) 7.054 5.271 ( -5.888 0.833 5.940) 8.405 5.751 ( -15.521 6.207 9.874) 19.415 6.155 ( -0.608 3.516 11.005) 11.569 6.434 ( -3.321 -6.227 5.563) 8.987 6.623 ( -4.011 10.919 8.010) 14.124 6.821 ( -1.148 3.904 -3.268) 5.219 7.888 ( 11.461 -7.657 5.383) 14.798 8.704 ( -17.936 -3.436 1.084) 18.294 9.272 ( -2.316 1.643 0.570) 2.896 9.612 ( -0.296 7.709 -1.350) 7.832 10.316 ( 13.342 -4.290 8.676) 16.483 10.728 ( 4.194 -4.951 -0.193) 6.492 11.456 ( -11.016 15.029 -9.007) 20.697 12.115 ( 8.220 -9.722 3.140) 13.113 12.350 ( 6.090 -0.491 -1.816) 6.373 13.091 ( -3.095 -12.766 2.874) 13.446 13.276 ( -6.467 8.404 -4.405) 11.483 13.966 ( 7.459 -4.602 8.089) 11.926 14.594 ( -6.697 3.885 -14.220) 16.190 18.146 ( -6.828 5.335 -2.178) 8.934 18.880 ( 10.157 7.629 -5.075) 13.680 19.232 ( -15.225 -15.231 1.581) 21.593 19.609 ( -4.424 1.751 -5.313) 7.132 21.630 ( 6.028 9.283 0.913) 11.106 22.754 ( 6.855 -6.972 -1.665) 9.918 23.511 ( 5.339 -6.906 -2.592) 9.106 23.943 ( -1.712 4.860 1.880) 5.485 ======================= Grid point 130 (42/432) ======================= q-point: (-0.55 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.235 6.597 -0.233) 7.352 2.897 ( -4.713 5.678 -4.205) 8.493 3.185 ( 1.323 -2.725 5.369) 6.165 3.368 ( -3.313 -1.319 3.211) 4.798 3.528 ( 4.173 -1.740 -2.494) 5.164 4.373 ( 3.017 -1.958 -14.097) 14.549 4.696 ( 5.336 -3.710 4.616) 7.971 4.996 ( 2.004 -7.863 -2.174) 8.400 5.120 ( -3.956 -2.939 -4.230) 6.494 5.311 ( -4.949 -0.338 8.044) 9.451 5.604 ( -15.691 6.680 11.398) 20.512 6.068 ( -8.327 -1.809 -8.740) 12.206 6.539 ( -3.373 5.651 11.550) 13.293 6.610 ( -3.604 3.206 8.819) 10.052 6.844 ( 2.648 0.436 10.603) 10.938 8.185 ( 16.792 -4.080 4.206) 17.785 8.458 ( -20.800 1.732 0.288) 20.874 9.247 ( -3.316 -1.912 0.748) 3.900 9.555 ( 2.205 5.222 -0.968) 5.750 10.426 ( -4.014 -2.450 -3.071) 5.616 10.989 ( 13.055 -8.888 5.248) 16.642 11.070 ( -7.106 14.909 -6.637) 17.800 12.304 ( 4.262 -1.788 3.733) 5.941 12.404 ( 2.893 -0.110 0.020) 2.895 13.099 ( -1.151 4.942 -0.967) 5.166 13.198 ( -0.824 -5.477 3.567) 6.588 13.998 ( -4.267 2.004 -11.931) 12.829 14.543 ( 7.313 -3.892 7.918) 11.459 18.036 ( -2.200 0.339 -3.775) 4.382 18.861 ( 5.927 2.079 -7.556) 9.826 19.196 ( -10.387 -8.272 3.200) 13.658 19.568 ( 3.776 -0.892 -0.279) 3.889 21.603 ( 4.156 7.902 -3.884) 9.736 22.863 ( -0.606 -8.405 1.845) 8.626 23.621 ( 7.330 -5.242 -1.668) 9.164 23.884 ( -2.767 7.301 2.241) 8.123 ======================= Grid point 131 (43/432) ======================= q-point: (-0.45 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -9.781 15.559 -8.801) 20.376 2.577 ( -16.257 15.835 -5.035) 23.246 3.248 ( 1.003 -4.410 -0.159) 4.525 3.433 ( 0.391 -4.827 1.782) 5.160 3.664 ( 3.611 -9.564 2.696) 10.572 4.129 ( -9.422 4.693 -20.523) 23.065 4.717 ( -11.461 -4.279 3.131) 12.628 4.913 ( -5.752 0.518 -8.706) 10.448 5.213 ( 6.251 -10.775 1.752) 12.579 5.357 ( -0.873 -2.155 7.654) 7.999 5.526 ( -9.659 3.346 9.671) 14.072 5.866 ( -7.224 -1.376 -9.009) 11.629 6.541 ( 1.173 11.350 6.479) 13.122 6.608 ( -12.198 -4.305 7.408) 14.907 7.082 ( 1.676 -2.930 19.574) 19.863 8.177 ( -19.289 5.294 2.710) 20.185 8.451 ( 18.524 3.384 -0.184) 18.832 9.243 ( -3.143 -6.466 0.810) 7.234 9.557 ( 3.966 1.731 -0.928) 4.426 10.221 ( -15.173 -1.150 -11.256) 18.927 10.827 ( 0.163 11.000 -0.540) 11.014 11.344 ( 13.291 -9.088 3.316) 16.439 12.300 ( -6.858 8.772 4.327) 11.946 12.416 ( 0.453 1.915 0.206) 1.978 13.138 ( 9.756 5.152 3.623) 11.612 13.305 ( 1.848 -6.668 5.587) 8.893 13.708 ( -8.015 4.541 -15.111) 17.698 14.862 ( 12.729 -6.671 12.558) 19.085 17.952 ( -0.452 -2.812 -11.448) 11.797 18.882 ( 5.829 -4.440 -1.900) 7.570 19.172 ( -4.782 -1.662 2.791) 5.781 19.686 ( 8.104 -1.804 3.703) 9.091 21.521 ( 3.222 6.070 -8.399) 10.852 22.917 ( -8.023 -9.892 3.960) 13.338 23.744 ( 6.539 -3.667 0.707) 7.531 23.812 ( -2.213 9.294 3.453) 10.159 ======================= Grid point 132 (44/432) ======================= q-point: (-0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -14.871 18.591 -8.181) 25.173 2.137 ( -19.850 21.955 -2.474) 29.701 3.305 ( -2.438 -5.156 -4.934) 7.541 3.444 ( -4.683 -2.854 -9.400) 10.883 3.585 ( -16.128 1.415 -9.995) 19.027 3.784 ( -5.571 -2.886 0.107) 6.275 4.647 ( -9.445 -4.324 4.099) 11.167 4.708 ( -6.983 0.649 -9.648) 11.927 5.392 ( -0.717 -5.062 3.933) 6.450 5.470 ( -3.615 -4.541 7.970) 9.859 5.524 ( 5.478 -4.569 0.649) 7.163 5.730 ( -4.888 -1.297 -1.509) 5.278 6.542 ( -7.774 5.245 10.015) 13.720 6.553 ( -7.706 -5.273 2.453) 9.654 7.331 ( -2.855 -3.963 18.169) 18.814 7.950 ( -14.157 8.501 5.928) 17.545 8.579 ( 15.602 12.465 -4.258) 20.419 9.314 ( 0.552 -11.504 1.425) 11.605 9.594 ( 4.514 0.066 -1.789) 4.856 9.904 ( -11.904 2.143 -8.108) 14.561 10.804 ( -1.757 -4.056 1.084) 4.551 11.543 ( 9.161 -2.555 -3.374) 10.092 12.140 ( -11.540 13.021 6.807) 18.683 12.400 ( -0.002 2.735 0.448) 2.771 13.278 ( 6.514 9.941 10.958) 16.166 13.398 ( -3.104 2.126 -13.620) 14.130 13.500 ( 5.341 -5.140 4.472) 8.657 15.238 ( 14.415 -6.705 11.545) 19.648 17.784 ( 1.113 -4.474 -23.824) 24.266 19.019 ( -2.024 -10.524 5.240) 11.929 19.192 ( 9.295 6.820 3.174) 11.958 19.864 ( 8.693 -1.446 4.790) 10.031 21.389 ( 1.884 5.003 -12.079) 13.209 22.916 ( -14.509 -13.072 4.713) 20.090 23.762 ( 1.954 8.569 1.746) 8.961 23.873 ( 1.505 -0.794 9.294) 9.449 ======================= Grid point 133 (45/432) ======================= q-point: (-0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -19.155 17.711 0.196) 26.089 1.645 ( -22.184 25.700 -0.476) 33.953 2.642 ( -36.915 15.162 -25.605) 47.415 3.496 ( -1.133 -7.623 4.162) 8.759 3.538 ( -0.264 -6.941 0.695) 6.981 3.718 ( -7.620 -1.767 -0.450) 7.835 4.540 ( -5.144 -2.672 -5.083) 7.710 4.631 ( -4.483 -2.124 2.278) 5.459 5.324 ( -9.530 0.446 2.879) 9.965 5.604 ( 2.422 -5.886 2.049) 6.686 5.673 ( 7.028 -3.431 2.514) 8.215 5.722 ( -4.596 -6.982 2.731) 8.793 6.475 ( -24.976 -17.961 10.452) 32.491 6.585 ( 5.765 5.454 2.041) 8.195 7.446 ( -11.820 -3.365 9.976) 15.828 7.825 ( -4.655 13.082 11.766) 18.200 8.589 ( 13.392 16.669 -3.167) 21.616 9.461 ( 3.368 -12.314 0.978) 12.803 9.611 ( 3.526 4.187 -1.721) 5.738 9.744 ( -3.242 -2.526 -2.523) 4.822 10.852 ( -7.152 -19.262 0.136) 20.548 11.543 ( 4.136 5.560 -8.343) 10.845 11.970 ( -14.473 9.988 10.446) 20.453 12.394 ( 0.889 2.781 1.833) 3.447 13.166 ( -5.662 2.093 -6.780) 9.078 13.449 ( 11.366 13.378 11.876) 21.194 13.675 ( 7.486 -0.722 4.107) 8.569 15.599 ( 14.482 -5.716 8.552) 17.763 17.502 ( 2.143 -4.713 -35.559) 35.934 19.049 ( -3.233 0.544 1.564) 3.632 19.406 ( 14.584 1.979 8.137) 16.818 20.024 ( 6.869 0.704 3.906) 7.933 21.222 ( 1.302 3.428 -13.099) 13.602 22.878 ( -20.215 -18.800 5.368) 28.123 23.760 ( 5.562 6.617 0.284) 8.649 24.027 ( -3.499 0.945 20.766) 21.080 ======================= Grid point 134 (46/432) ======================= q-point: (-0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -23.017 13.852 12.471) 29.618 1.119 ( -27.083 21.753 -1.674) 34.778 1.716 ( -44.548 23.919 -9.450) 51.439 3.512 ( -4.987 -5.669 0.087) 7.551 3.633 ( -5.328 0.722 1.208) 5.511 3.672 ( 1.953 -6.865 4.381) 8.374 4.500 ( -2.656 -5.274 -1.063) 6.000 4.621 ( -2.678 0.758 5.312) 5.997 5.310 ( -2.849 -1.024 11.122) 11.527 5.623 ( -6.197 -5.344 -4.772) 9.473 5.744 ( -0.236 -4.983 -1.712) 5.274 5.802 ( 3.398 -1.356 3.313) 4.935 6.475 ( -30.408 -36.728 13.779) 49.633 6.649 ( 6.507 2.850 1.000) 7.174 7.325 ( -16.813 0.882 4.343) 17.387 7.894 ( 4.057 12.228 16.699) 21.092 8.609 ( 15.587 20.160 1.182) 25.510 9.592 ( 3.933 11.378 1.783) 12.170 9.611 ( 1.509 -14.512 -0.539) 14.600 9.746 ( 2.653 -4.788 -4.337) 6.984 10.914 ( -13.846 -34.357 -10.030) 38.376 11.415 ( 1.157 11.077 -4.414) 11.981 11.865 ( -20.708 -5.076 17.784) 27.764 12.414 ( 0.944 1.381 1.824) 2.475 13.049 ( -1.901 -0.097 -3.760) 4.215 13.640 ( 19.374 25.480 13.060) 34.571 13.790 ( 7.693 5.870 2.184) 9.921 15.886 ( 13.252 -2.664 2.561) 13.757 17.110 ( -2.024 -0.610 -30.863) 30.935 18.997 ( 3.836 11.593 -2.163) 12.401 19.650 ( 9.773 0.703 6.967) 12.023 20.110 ( 3.225 3.076 2.518) 5.119 21.088 ( 3.211 0.806 -11.356) 11.829 22.853 ( -24.928 -28.447 8.016) 38.664 23.791 ( 6.603 3.393 -1.855) 7.652 24.283 ( -5.611 -3.243 33.891) 34.505 ======================= Grid point 135 (47/432) ======================= q-point: (-0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -32.623 11.496 -2.504) 34.680 0.556 ( -21.037 13.684 18.951) 31.447 1.094 ( -39.290 23.671 40.365) 61.101 3.476 ( -3.888 -2.571 -1.226) 4.820 3.594 ( -2.434 0.531 1.524) 2.921 3.787 ( 0.044 -3.954 4.639) 6.096 4.481 ( -0.589 -2.517 -3.520) 4.367 4.759 ( 5.240 -0.985 16.874) 17.696 5.395 ( -8.283 -2.018 -16.677) 18.730 5.536 ( 2.517 -2.146 14.112) 14.494 5.802 ( 3.912 -2.397 5.522) 7.179 5.844 ( 0.751 0.177 -1.160) 1.393 6.657 ( -28.844 -60.644 12.312) 68.274 6.728 ( -1.013 -9.043 5.567) 10.667 7.180 ( -12.514 1.622 7.285) 14.571 8.037 ( 2.466 3.938 0.872) 4.728 8.644 ( 20.064 31.137 -7.739) 37.841 9.537 ( 1.011 6.014 -4.423) 7.534 9.744 ( 2.487 -4.999 5.110) 7.569 9.768 ( 5.919 -1.447 -5.246) 8.040 10.541 ( -45.891 -20.526 -36.157) 61.925 11.338 ( 1.621 8.849 0.066) 8.997 12.038 ( -23.235 -46.509 19.794) 55.630 12.416 ( -0.178 0.224 -1.617) 1.642 13.012 ( 0.790 1.555 -2.920) 3.402 13.515 ( 16.714 64.197 -34.290) 74.676 13.825 ( 1.796 -0.365 -0.727) 1.971 15.993 ( 5.919 -0.348 -7.220) 9.343 17.455 ( 45.173 -20.452 83.994) 97.539 18.917 ( 16.137 28.330 -2.905) 32.732 19.789 ( 2.231 -0.474 3.504) 4.181 20.122 ( -0.133 3.111 0.372) 3.136 21.033 ( 6.263 -0.767 -8.743) 10.782 22.924 ( -25.191 -41.488 10.854) 49.735 23.824 ( 4.855 1.251 -2.019) 5.405 24.581 ( -21.689 -22.197 -7.493) 31.926 ======================= Grid point 137 (48/432) ======================= q-point: ( 0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 13.443 0.000 23.961) 27.474 1.501 ( -4.095 -0.000 35.136) 35.374 2.872 ( 34.335 0.000 29.617) 45.344 3.470 ( 5.162 0.000 -4.904) 7.120 3.689 ( -3.049 -0.000 9.645) 10.116 3.881 ( -2.143 -0.000 4.155) 4.675 4.521 ( 4.774 0.000 -3.895) 6.161 4.888 ( -4.785 -0.000 -8.718) 9.945 5.193 ( -19.244 -0.000 10.037) 21.704 5.473 ( -2.811 -0.000 -8.708) 9.150 5.637 ( 9.986 0.000 13.915) 17.127 5.903 ( -4.299 -0.000 12.284) 13.015 6.575 ( -12.215 -0.000 1.230) 12.277 6.903 ( -4.650 -0.000 9.789) 10.837 6.974 ( 3.002 0.000 -7.581) 8.153 7.377 ( 1.251 0.000 6.441) 6.562 8.688 ( -6.588 -0.000 11.519) 13.270 9.291 ( 0.762 0.000 -0.547) 0.938 9.683 ( 5.278 0.000 -6.535) 8.400 9.937 ( -0.427 -0.000 1.866) 1.914 11.080 ( 29.832 0.000 -1.111) 29.853 11.126 ( -5.722 -0.000 -5.918) 8.232 12.221 ( 4.821 0.000 -7.087) 8.572 12.258 ( -7.372 -0.000 19.849) 21.174 12.642 ( -1.479 -0.000 -10.934) 11.034 13.486 ( 5.281 0.000 9.750) 11.089 13.670 ( -4.304 -0.000 -4.275) 6.066 15.380 ( -10.471 -0.000 -19.578) 22.202 18.822 ( 11.775 0.000 -3.244) 12.214 18.896 ( -35.402 -0.000 7.188) 36.125 19.327 ( -16.245 -0.000 -9.366) 18.751 20.004 ( -6.756 -0.000 -3.893) 7.798 21.461 ( 11.894 0.000 9.567) 15.264 22.574 ( 13.225 0.000 -14.264) 19.451 23.228 ( 1.704 0.000 3.475) 3.871 23.950 ( 2.403 0.000 1.646) 2.913 ======================= Grid point 138 (49/432) ======================= q-point: ( 0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 14.921 -2.569 22.031) 26.732 1.900 ( 0.641 -10.238 31.198) 32.842 3.411 ( 8.987 4.037 0.947) 9.898 3.475 ( 6.926 -1.426 -1.358) 7.201 3.861 ( -0.459 3.221 -2.228) 3.943 3.902 ( 14.870 -0.577 18.610) 23.828 4.492 ( 3.903 5.508 -6.645) 9.472 4.778 ( 2.054 -6.996 -12.528) 14.495 5.107 ( -12.572 -1.414 11.814) 17.309 5.362 ( -3.820 0.182 -3.290) 5.045 5.842 ( -3.384 -0.264 9.800) 10.371 6.044 ( 1.226 2.926 19.659) 19.913 6.414 ( -11.249 -0.490 -0.927) 11.298 6.858 ( -1.575 12.023 6.833) 13.918 6.987 ( -0.788 -2.174 -4.960) 5.472 7.485 ( -1.398 -8.418 8.372) 11.954 8.698 ( -12.415 -4.365 7.422) 15.109 9.305 ( -3.301 -1.830 1.565) 4.086 9.782 ( 15.127 2.016 0.219) 15.263 9.934 ( 1.877 1.106 1.704) 2.766 10.911 ( -4.153 9.217 -6.748) 12.155 11.489 ( 20.891 -9.877 0.980) 23.129 12.177 ( 0.726 13.700 -2.395) 13.927 12.306 ( -0.113 5.345 3.563) 6.425 12.622 ( -3.328 -22.074 -1.036) 22.347 13.547 ( -5.735 2.011 -4.246) 7.414 13.683 ( 6.473 -1.135 10.081) 12.034 14.998 ( -11.428 1.413 -19.636) 22.763 18.540 ( -20.109 8.860 1.645) 22.036 18.953 ( 14.295 3.079 -5.501) 15.623 19.055 ( -17.207 -11.279 -4.890) 21.147 19.832 ( -9.161 1.119 -6.403) 11.233 21.704 ( 8.957 6.122 11.981) 16.163 22.566 ( 11.413 -2.859 -14.805) 18.910 23.311 ( 3.347 -4.087 1.220) 5.422 23.993 ( 1.306 0.960 1.914) 2.508 ======================= Grid point 139 (50/432) ======================= q-point: ( 0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 7.740 1.119 18.828) 20.388 2.407 ( 9.286 -15.814 23.564) 29.859 3.333 ( -1.271 6.523 -5.569) 8.670 3.492 ( -3.579 0.461 -2.390) 4.328 3.735 ( -1.470 6.455 -9.168) 11.308 4.351 ( 14.459 -1.593 8.865) 17.035 4.424 ( 12.503 3.131 -8.864) 15.642 4.751 ( 2.634 -11.812 -10.928) 16.306 5.159 ( -4.630 -1.490 10.663) 11.720 5.280 ( -7.128 0.142 2.107) 7.435 5.819 ( -13.185 2.335 8.496) 15.858 6.206 ( -6.163 2.335 3.756) 7.585 6.346 ( -3.288 -3.955 12.845) 13.837 6.824 ( -2.534 11.885 8.858) 15.038 6.899 ( -1.379 4.782 -2.663) 5.645 7.696 ( 2.840 -13.783 10.267) 17.419 8.602 ( -16.554 -6.312 1.026) 17.746 9.271 ( -4.883 -0.351 1.220) 5.045 9.799 ( 1.662 11.631 -0.539) 11.762 10.221 ( 20.120 -6.354 9.205) 23.020 10.719 ( -4.953 1.571 -6.749) 8.518 11.735 ( 8.458 13.116 -2.986) 15.890 12.023 ( 4.102 3.606 1.470) 5.656 12.345 ( 5.891 -0.085 -1.498) 6.079 12.800 ( -3.813 -21.236 5.377) 22.236 13.389 ( -6.653 4.839 -3.665) 9.006 13.904 ( 7.965 -2.656 8.076) 11.650 14.634 ( -9.841 1.132 -15.743) 18.600 18.260 ( -10.152 7.754 -3.506) 13.247 18.853 ( -11.188 -10.985 -7.232) 17.267 19.116 ( 11.213 2.191 0.339) 11.430 19.631 ( -6.997 0.683 -6.816) 9.792 21.830 ( 4.627 13.207 7.693) 15.969 22.601 ( 7.434 -10.520 -9.986) 16.299 23.412 ( 5.638 -4.333 0.280) 7.116 24.008 ( -0.461 2.730 2.249) 3.567 ======================= Grid point 140 (51/432) ======================= q-point: ( 0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.906 6.470 8.841) 11.120 2.870 ( 8.149 -8.898 12.470) 17.352 3.175 ( -6.173 2.567 -3.335) 7.471 3.376 ( -5.915 1.462 -2.728) 6.676 3.551 ( -1.589 3.693 -8.639) 9.528 4.344 ( 2.513 -0.867 -9.079) 9.460 4.655 ( 12.155 -1.853 -2.447) 12.536 4.806 ( 4.188 -12.747 -4.702) 14.218 5.110 ( -7.936 1.114 -3.011) 8.561 5.295 ( -4.361 -1.535 8.276) 9.480 5.692 ( -16.056 3.762 8.647) 18.620 6.047 ( -8.093 -0.661 -8.362) 11.656 6.517 ( -7.355 -2.449 16.249) 18.004 6.792 ( -2.534 12.349 8.704) 15.319 6.879 ( 1.025 3.470 8.278) 9.034 8.010 ( 7.265 -15.894 9.623) 19.950 8.415 ( -16.581 -4.283 -2.569) 17.316 9.225 ( -5.036 0.348 2.018) 5.436 9.703 ( -0.262 9.271 -1.406) 9.380 10.418 ( -3.510 1.664 -6.421) 7.505 10.808 ( 17.138 -9.945 7.970) 21.357 11.475 ( -1.629 28.901 -5.275) 29.424 12.255 ( 12.192 -3.603 6.967) 14.498 12.401 ( 4.085 -0.126 -0.548) 4.124 12.978 ( -3.033 -15.905 5.902) 17.233 13.232 ( -3.980 5.581 -2.121) 7.175 14.012 ( 0.260 -0.046 -8.781) 8.785 14.471 ( 1.259 -4.312 2.802) 5.295 18.067 ( -4.430 3.253 -6.093) 8.205 18.745 ( -8.642 -12.173 -5.682) 15.974 19.209 ( 8.007 6.675 -0.481) 10.435 19.544 ( 2.892 -2.266 -2.665) 4.539 21.796 ( 2.059 14.618 0.397) 14.767 22.681 ( 0.686 -13.191 -3.899) 13.772 23.539 ( 7.476 -4.172 0.480) 8.574 23.989 ( -1.898 4.898 2.876) 5.989 ======================= Grid point 141 (52/432) ======================= q-point: (-0.55 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -5.092 15.167 -4.466) 16.610 2.801 ( -12.272 10.653 -4.449) 16.849 3.204 ( -0.621 -1.552 0.032) 1.672 3.345 ( -0.286 -5.984 2.221) 6.390 3.498 ( 0.385 -8.900 -1.104) 8.976 4.219 ( -2.932 5.328 -12.242) 13.670 4.654 ( -8.301 -2.665 -2.794) 9.155 4.882 ( -5.139 -5.207 -6.987) 10.116 5.018 ( 4.532 -9.971 -2.378) 11.208 5.320 ( -4.325 -2.197 4.972) 6.947 5.581 ( -11.008 2.955 7.638) 13.721 5.861 ( -5.330 0.482 -7.621) 9.312 6.534 ( -13.543 -2.607 8.210) 16.050 6.751 ( -3.376 10.917 7.605) 13.727 7.051 ( 1.654 -0.327 17.497) 17.578 8.186 ( -19.608 -4.172 3.837) 20.411 8.365 ( 15.497 -11.396 0.015) 19.236 9.178 ( -5.659 0.325 2.394) 6.153 9.627 ( -0.070 3.535 -1.329) 3.777 10.190 ( -10.861 -0.564 -12.493) 16.563 11.182 ( 2.224 26.271 -0.470) 26.369 11.223 ( 16.708 -2.997 6.951) 18.342 12.408 ( 2.485 3.277 0.633) 4.161 12.459 ( 0.433 3.460 6.747) 7.595 13.144 ( 1.897 -11.006 6.479) 12.911 13.199 ( 4.950 0.953 1.575) 5.281 13.773 ( -7.369 3.050 -15.736) 17.642 14.725 ( 10.925 -9.140 10.671) 17.798 17.917 ( -2.776 -1.342 -12.221) 12.604 18.725 ( -3.656 -11.080 0.509) 11.679 19.238 ( 8.160 6.867 -0.427) 10.674 19.654 ( 9.951 -2.253 1.387) 10.297 21.673 ( 1.048 11.876 -5.335) 13.061 22.725 ( -7.242 -12.995 -0.623) 14.890 23.680 ( 7.312 -3.521 1.326) 8.223 23.951 ( -2.177 6.905 4.303) 8.422 ======================= Grid point 142 (53/432) ======================= q-point: (-0.45 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -10.337 20.407 -8.614) 24.444 2.451 ( -17.076 14.870 -4.156) 23.021 3.210 ( 0.330 -5.419 -0.467) 5.449 3.381 ( -0.950 -4.789 -2.364) 5.424 3.555 ( -5.915 -6.744 -6.296) 10.959 3.855 ( -15.351 12.793 -9.092) 21.954 4.557 ( -10.229 -6.126 3.531) 12.435 4.691 ( -8.264 -2.622 -11.557) 14.448 5.219 ( 7.003 -13.859 0.888) 15.553 5.371 ( -4.383 -6.787 6.113) 10.131 5.505 ( -5.809 1.475 1.508) 6.180 5.742 ( -1.565 1.755 -3.250) 4.012 6.425 ( -20.415 -4.881 6.149) 21.873 6.704 ( -2.876 8.118 5.790) 10.378 7.273 ( -1.313 -2.368 16.579) 16.799 8.027 ( -12.366 1.861 4.957) 13.451 8.638 ( 14.550 -8.940 -3.843) 17.504 9.137 ( -6.011 -3.018 2.606) 7.214 9.614 ( 0.783 -1.079 -0.224) 1.351 9.912 ( -9.980 -0.866 -10.610) 14.591 10.971 ( 0.181 23.909 0.319) 23.912 11.515 ( 13.262 -1.094 2.601) 13.559 12.349 ( -5.273 9.943 2.089) 11.447 12.459 ( -2.307 5.151 4.805) 7.413 13.304 ( 2.072 -7.749 5.096) 9.503 13.406 ( 12.848 -0.230 -0.458) 12.858 13.481 ( -5.449 3.055 -4.897) 7.938 15.089 ( 13.406 -10.821 9.325) 19.590 17.711 ( -2.704 -3.891 -21.084) 21.610 18.850 ( 0.782 -8.962 8.410) 12.315 19.317 ( 13.443 7.740 0.724) 15.529 19.839 ( 11.171 -1.724 3.209) 11.750 21.504 ( -0.155 8.746 -9.878) 13.194 22.693 ( -14.969 -13.556 0.674) 20.207 23.802 ( 5.670 -1.610 -0.122) 5.895 23.940 ( -1.401 6.784 9.789) 11.992 ======================= Grid point 143 (54/432) ======================= q-point: (-0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -12.559 22.698 -3.665) 26.198 2.006 ( -20.989 16.922 -7.554) 27.999 3.001 ( -23.019 26.250 -15.712) 38.286 3.334 ( 0.580 -10.978 3.082) 11.417 3.413 ( -5.398 -8.436 -1.017) 10.067 3.679 ( -6.577 -2.100 0.551) 6.926 4.477 ( -9.075 -5.014 -5.555) 11.762 4.578 ( -3.318 -3.862 2.436) 5.644 5.323 ( -8.176 -1.437 1.942) 8.525 5.432 ( -1.423 -14.312 0.475) 14.390 5.531 ( 2.176 -8.056 0.934) 8.397 5.720 ( 2.786 2.141 1.347) 3.763 6.241 ( -27.964 -9.522 6.685) 30.287 6.685 ( -0.185 4.874 3.791) 6.178 7.396 ( -8.278 -1.966 10.628) 13.614 7.967 ( -3.492 5.346 8.197) 10.391 8.785 ( 13.445 1.060 -7.258) 15.316 9.160 ( -4.529 -12.700 2.658) 13.742 9.644 ( 1.266 -3.160 -1.305) 3.646 9.754 ( -4.957 -2.473 -0.735) 5.588 10.771 ( -5.128 14.445 -2.306) 15.500 11.638 ( 7.333 5.223 -1.321) 9.099 12.187 ( -8.620 13.521 3.760) 16.470 12.447 ( -1.220 3.562 3.344) 5.035 13.200 ( -5.201 2.281 -10.764) 12.170 13.471 ( 3.896 -7.384 5.524) 10.011 13.739 ( 16.064 4.851 12.079) 20.676 15.454 ( 13.956 -11.544 6.141) 19.124 17.428 ( -2.635 -3.639 -26.953) 27.324 19.038 ( 5.315 -1.560 7.706) 9.490 19.478 ( 15.759 6.393 4.175) 17.511 20.032 ( 10.595 0.025 3.596) 11.188 21.300 ( -1.279 5.798 -12.600) 13.929 22.583 ( -22.865 -16.154 1.673) 28.045 23.837 ( 4.525 2.779 -2.484) 5.862 24.052 ( -1.246 2.005 17.109) 17.272 ======================= Grid point 144 (55/432) ======================= q-point: (-0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -13.111 23.350 5.705) 27.380 1.430 ( -27.096 16.629 -13.472) 34.529 2.276 ( -26.656 39.208 -0.710) 47.416 3.400 ( -5.016 -7.935 -0.562) 9.404 3.505 ( 1.433 -12.326 3.950) 13.023 3.631 ( -4.805 -1.005 1.531) 5.142 4.404 ( -3.065 -6.071 -1.703) 7.011 4.610 ( -2.759 -1.984 6.062) 6.949 5.272 ( -7.050 -3.951 7.107) 10.762 5.472 ( -5.206 -12.039 -6.964) 14.850 5.634 ( 0.144 -8.377 1.391) 8.493 5.794 ( 4.175 0.722 3.361) 5.408 6.034 ( -34.305 -16.562 9.616) 39.289 6.701 ( 2.118 2.401 1.690) 3.620 7.335 ( -14.382 1.025 5.761) 15.527 8.027 ( 4.025 5.589 7.733) 10.355 8.850 ( 14.968 5.294 -6.742) 17.249 9.291 ( -2.516 -17.268 5.846) 18.404 9.656 ( 0.937 -5.134 -3.974) 6.560 9.782 ( -0.908 -1.069 5.543) 5.718 10.527 ( -14.792 1.215 -6.839) 16.342 11.612 ( 2.584 11.429 -0.354) 11.723 11.998 ( -9.657 13.957 4.459) 17.548 12.442 ( -0.758 1.911 1.675) 2.652 13.051 ( -1.786 0.522 -5.006) 5.341 13.638 ( 3.679 -7.821 2.620) 9.031 14.045 ( 19.710 9.664 10.350) 24.269 15.770 ( 13.631 -11.295 -0.243) 17.704 17.109 ( -3.277 0.618 -19.486) 19.769 19.184 ( 14.750 9.413 1.608) 17.571 19.680 ( 10.970 3.169 5.137) 12.521 20.175 ( 7.477 4.270 3.129) 9.162 21.109 ( 0.579 1.804 -12.574) 12.716 22.419 ( -32.350 -21.553 5.413) 39.247 23.842 ( 4.296 2.791 -2.268) 5.602 24.239 ( -3.407 -2.054 19.181) 19.589 ======================= Grid point 145 (56/432) ======================= q-point: (-0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -18.762 21.584 0.512) 28.603 0.886 ( -11.046 23.415 15.069) 29.956 1.699 ( -24.136 42.899 19.278) 52.864 3.399 ( -3.040 -6.429 -0.669) 7.143 3.603 ( -2.442 0.377 1.607) 2.947 3.662 ( -0.587 -10.538 5.329) 11.824 4.412 ( 0.506 -5.205 -3.405) 6.241 4.726 ( 0.869 -2.820 14.686) 14.980 5.333 ( -6.916 -5.143 -13.588) 16.091 5.436 ( -0.277 -11.759 17.378) 20.984 5.685 ( -15.855 -13.291 8.373) 22.319 5.850 ( -3.513 -1.366 3.807) 5.357 5.877 ( -27.050 -15.858 11.004) 33.230 6.730 ( 2.466 0.422 0.085) 2.503 7.207 ( -12.360 2.273 7.058) 14.413 8.096 ( 2.466 3.762 0.052) 4.498 8.927 ( 17.630 3.411 -14.637) 23.167 9.509 ( 0.931 -13.460 8.850) 16.135 9.657 ( 0.823 -3.626 -5.421) 6.574 9.825 ( -0.263 -0.217 4.584) 4.596 10.181 ( -25.551 -3.148 -9.102) 27.306 11.554 ( 1.958 14.211 4.684) 15.091 11.834 ( -10.769 8.836 9.569) 16.900 12.425 ( -0.610 0.798 -1.250) 1.604 13.014 ( 0.677 -0.153 -0.966) 1.190 13.735 ( 1.632 -6.357 -3.066) 7.244 14.171 ( 15.495 16.133 -23.329) 32.321 15.929 ( 8.691 -8.329 -14.040) 18.494 17.184 ( 9.762 -9.543 38.366) 40.722 19.341 ( 30.565 18.112 -2.714) 35.632 19.783 ( 2.425 0.198 -0.873) 2.585 20.217 ( 1.567 7.848 2.842) 8.493 21.011 ( 5.004 -1.651 -10.959) 12.160 22.251 ( -44.007 -29.045 16.242) 55.173 23.851 ( 3.321 1.842 -1.406) 4.049 24.353 ( -13.485 -6.490 4.531) 15.637 ======================= Grid point 146 (57/432) ======================= q-point: (-0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -2.273 23.131 18.907) 29.961 0.873 ( 16.277 16.249 27.846) 36.116 1.473 ( -12.129 28.915 44.714) 54.613 3.415 ( 0.708 -3.861 -1.335) 4.146 3.616 ( -0.836 0.064 4.322) 4.403 3.776 ( -3.123 -7.132 5.570) 9.573 4.433 ( 3.711 -4.070 -4.127) 6.882 4.994 ( 6.926 -4.860 8.043) 11.674 5.171 ( 5.139 -0.592 -6.405) 8.233 5.548 ( -31.173 -9.638 14.377) 35.656 5.775 ( -3.066 -2.277 1.162) 3.992 5.779 ( -26.382 -19.140 13.826) 35.405 6.046 ( 5.356 -24.290 21.271) 32.728 6.753 ( 0.069 -0.775 0.380) 0.866 7.172 ( -4.766 1.147 8.911) 10.170 7.870 ( -13.901 18.481 -17.685) 29.112 8.751 ( 0.456 15.232 -13.403) 20.294 9.529 ( -0.557 8.994 -7.056) 11.445 9.707 ( 0.528 -11.941 2.903) 12.300 9.844 ( -12.834 -4.136 -1.026) 13.523 10.103 ( 25.179 -3.440 8.568) 26.818 11.477 ( 2.254 18.330 -0.529) 18.476 11.877 ( -9.849 -8.345 20.273) 24.035 12.378 ( -0.660 0.601 -4.839) 4.920 13.009 ( 1.840 3.687 -4.021) 5.757 13.533 ( -2.092 25.386 -23.739) 34.819 13.827 ( -0.561 4.972 -5.085) 7.134 15.878 ( -0.323 -5.802 -13.235) 14.454 18.183 ( 11.652 -43.237 31.216) 54.586 19.606 ( 9.366 0.595 -4.509) 10.412 19.759 ( 11.382 1.935 -6.077) 13.047 20.154 ( -0.948 8.686 -1.329) 8.838 21.005 ( 5.276 -5.241 -3.850) 8.374 22.222 ( -33.853 -31.174 27.638) 53.682 23.862 ( -2.860 6.985 -5.084) 9.100 23.889 ( -23.666 18.251 -12.861) 32.536 ======================= Grid point 149 (58/432) ======================= q-point: ( 0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.077 0.000 26.054) 26.054 2.187 ( 18.453 0.000 21.238) 28.135 3.406 ( -2.493 -0.000 -6.572) 7.028 3.483 ( -1.072 -0.000 -2.872) 3.066 3.790 ( -2.495 -0.000 -8.445) 8.806 4.337 ( 19.496 0.000 8.449) 21.248 4.503 ( 5.119 0.000 -6.041) 7.918 4.596 ( 5.298 0.000 -17.380) 18.170 5.148 ( -4.382 -0.000 14.027) 14.695 5.280 ( -7.586 -0.000 0.577) 7.608 5.838 ( -12.028 -0.000 8.131) 14.518 6.228 ( -10.066 -0.000 -4.826) 11.163 6.310 ( -1.084 -0.000 21.447) 21.475 6.925 ( -4.237 -0.000 2.685) 5.016 6.976 ( 2.602 0.000 0.848) 2.736 7.539 ( -3.973 -0.000 15.355) 15.861 8.544 ( -14.539 -0.000 0.518) 14.548 9.268 ( -4.908 -0.000 2.633) 5.570 9.923 ( -2.479 -0.000 -0.790) 2.602 10.145 ( 26.050 0.000 8.863) 27.517 10.736 ( -9.121 -0.000 -9.510) 13.177 11.797 ( 22.617 0.000 5.117) 23.188 12.218 ( 6.439 0.000 -15.401) 16.693 12.363 ( 0.818 0.000 -1.680) 1.868 12.486 ( -8.921 -0.000 17.570) 19.706 13.431 ( -6.518 -0.000 -3.373) 7.339 13.881 ( 7.918 0.000 8.015) 11.266 14.642 ( -11.018 -0.000 -16.261) 19.643 18.351 ( -12.629 -0.000 -3.922) 13.224 18.721 ( -12.980 -0.000 -6.351) 14.450 19.149 ( 16.616 0.000 -1.572) 16.690 19.635 ( -8.218 -0.000 -7.729) 11.281 21.977 ( 3.387 0.000 14.809) 15.192 22.479 ( 8.065 0.000 -17.716) 19.466 23.375 ( 5.908 0.000 1.451) 6.083 24.031 ( -0.001 -0.000 2.274) 2.274 ======================= Grid point 150 (59/432) ======================= q-point: ( 0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.879 5.842 15.416) 16.593 2.694 ( 14.446 -8.938 18.585) 25.179 3.230 ( -8.686 2.601 -8.070) 12.138 3.392 ( -5.137 0.355 -4.989) 7.170 3.609 ( -5.150 2.093 -11.570) 12.836 4.372 ( -0.245 4.081 -6.341) 7.545 4.573 ( 6.849 -8.635 -4.497) 11.904 4.658 ( 16.519 -2.488 -9.657) 19.296 5.146 ( -11.225 2.348 -0.155) 11.469 5.263 ( -2.258 -1.890 7.977) 8.503 5.733 ( -15.728 1.204 7.192) 17.336 6.042 ( -7.330 -0.053 -7.657) 10.600 6.488 ( -9.101 -0.920 18.606) 20.733 6.934 ( -0.235 2.210 7.710) 8.024 6.975 ( -2.550 7.765 4.754) 9.455 7.745 ( -1.052 -11.599 15.905) 19.713 8.361 ( -10.701 -1.779 -3.988) 11.557 9.239 ( -5.224 0.726 4.065) 6.659 9.816 ( -6.592 3.635 -3.637) 8.361 10.478 ( -3.960 4.676 -8.766) 10.695 10.658 ( 22.357 -7.216 9.223) 25.238 11.965 ( 5.503 26.064 -5.349) 27.171 12.196 ( 16.007 -3.873 6.067) 17.550 12.400 ( 4.374 -0.029 -0.654) 4.422 12.660 ( -5.828 -18.610 11.349) 22.563 13.304 ( -5.938 2.483 -1.985) 6.735 14.007 ( 3.416 -0.303 -6.451) 7.306 14.414 ( -3.319 -1.960 -0.852) 3.948 18.128 ( -7.013 3.001 -9.368) 12.081 18.568 ( -8.397 -6.805 -1.817) 10.960 19.325 ( 14.486 5.663 -2.153) 15.702 19.491 ( -0.517 -3.404 -5.165) 6.207 22.064 ( -0.752 15.570 6.706) 16.969 22.435 ( 2.898 -14.728 -11.204) 18.731 23.490 ( 7.553 -1.511 1.917) 7.937 24.045 ( -1.355 1.688 2.905) 3.623 ======================= Grid point 151 (60/432) ======================= q-point: (-0.64 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -2.282 11.480 1.016) 11.749 2.935 ( -10.758 5.392 -4.457) 12.833 3.139 ( 6.067 -7.110 9.814) 13.553 3.263 ( -4.516 -2.152 -4.177) 6.517 3.401 ( -6.271 -2.822 -9.330) 11.590 4.294 ( -0.538 3.526 -1.949) 4.065 4.613 ( 0.178 -2.899 -12.584) 12.915 4.741 ( 5.988 -8.685 -4.922) 11.641 4.943 ( -10.986 -0.152 -4.958) 12.054 5.285 ( -6.508 -1.931 3.518) 7.646 5.620 ( -10.972 1.587 6.172) 12.688 5.873 ( -4.092 0.759 -7.236) 8.347 6.505 ( -16.527 -0.968 12.330) 20.643 6.903 ( -6.833 7.041 4.905) 10.969 7.069 ( 2.315 1.765 14.467) 14.757 8.009 ( -5.292 -13.383 13.021) 19.407 8.240 ( 1.054 -3.264 -5.377) 6.378 9.208 ( -5.992 2.043 4.858) 7.980 9.648 ( -8.327 -0.505 -4.533) 9.494 10.224 ( -7.086 3.590 -13.702) 15.838 11.131 ( 21.955 -4.121 9.697) 24.352 11.730 ( 3.924 32.884 -0.533) 33.122 12.435 ( 2.659 0.700 -0.455) 2.787 12.500 ( 9.297 0.505 9.410) 13.237 12.881 ( -2.145 -18.876 8.138) 20.667 13.232 ( 1.607 2.065 1.267) 2.907 13.810 ( -6.019 1.333 -16.850) 17.943 14.581 ( 8.923 -7.076 9.333) 14.724 17.905 ( -5.086 -0.187 -14.211) 15.095 18.568 ( -2.250 -6.840 4.329) 8.402 19.359 ( 8.783 6.957 -2.014) 11.385 19.604 ( 12.800 -3.770 -1.117) 13.390 21.911 ( -1.036 16.037 -5.251) 16.907 22.482 ( -6.004 -15.902 -2.381) 17.164 23.633 ( 7.464 -1.999 2.874) 8.244 24.039 ( -1.860 3.546 3.893) 5.585 ======================= Grid point 152 (61/432) ======================= q-point: (-0.55 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -7.687 18.128 -7.478) 21.063 2.637 ( -16.023 7.524 -6.078) 18.716 3.132 ( -3.755 -3.706 -3.893) 6.557 3.277 ( -6.041 -7.833 -3.279) 10.421 3.430 ( 4.113 -6.437 4.100) 8.670 4.129 ( -8.394 17.826 -9.429) 21.843 4.441 ( -10.764 -7.738 -1.735) 13.370 4.644 ( -9.130 -1.783 -9.468) 13.274 4.974 ( 6.134 -14.785 -1.946) 16.125 5.261 ( -7.835 -5.920 4.402) 10.762 5.536 ( -6.942 1.745 0.539) 7.179 5.772 ( 0.082 1.664 -3.693) 4.051 6.375 ( -22.868 -1.525 8.036) 24.287 6.807 ( -7.785 4.049 3.651) 9.504 7.260 ( 1.168 0.734 14.920) 14.983 8.039 ( -8.630 0.230 6.486) 10.798 8.391 ( 9.622 -15.878 -2.951) 18.799 9.158 ( -7.158 2.589 4.886) 9.045 9.535 ( -7.551 -7.145 -2.360) 10.660 9.943 ( -5.247 4.466 -13.627) 15.270 11.464 ( 9.908 15.803 2.088) 18.768 11.530 ( 9.666 18.392 5.098) 21.393 12.435 ( -0.275 2.078 -0.320) 2.120 12.588 ( -3.892 7.974 7.425) 11.570 13.091 ( -0.279 -16.696 5.145) 17.473 13.404 ( 15.395 -0.471 5.272) 16.279 13.522 ( -6.911 1.598 -11.817) 13.783 14.897 ( 12.108 -11.095 7.126) 17.902 17.659 ( -4.960 -2.243 -18.823) 19.594 18.729 ( 4.617 -5.376 11.386) 13.411 19.445 ( 14.629 7.265 0.354) 16.338 19.800 ( 13.601 -2.966 0.392) 13.926 21.678 ( -2.069 11.785 -10.810) 16.125 22.461 ( -14.076 -13.961 -0.666) 19.837 23.772 ( 5.543 -1.590 3.383) 6.685 24.038 ( -1.161 4.554 5.874) 7.522 ======================= Grid point 153 (62/432) ======================= q-point: (-0.45 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -9.512 21.476 -5.093) 24.034 2.235 ( -19.611 11.234 -10.271) 24.825 3.138 ( -1.165 -11.077 0.080) 11.138 3.246 ( -6.965 -11.168 -1.679) 13.268 3.433 ( -4.797 18.121 -5.224) 19.460 3.701 ( -12.787 9.163 -3.463) 16.108 4.366 ( -10.665 -8.050 -3.722) 13.871 4.518 ( -2.179 -2.888 0.362) 3.636 5.150 ( 1.929 -17.136 -1.972) 17.357 5.261 ( -11.186 -7.423 3.903) 13.981 5.443 ( -2.585 -2.125 -2.398) 4.117 5.761 ( 3.694 2.411 0.199) 4.415 6.137 ( -28.502 -3.435 6.032) 29.335 6.735 ( -4.975 1.195 2.607) 5.743 7.392 ( -3.897 1.580 10.963) 11.742 8.031 ( -1.729 2.650 6.796) 7.496 8.590 ( 8.324 -17.066 -7.086) 20.267 9.110 ( -6.762 0.893 5.926) 9.035 9.507 ( -7.646 -12.334 -0.310) 14.515 9.732 ( -1.616 2.846 -8.758) 9.350 11.234 ( 1.321 35.277 -0.384) 35.304 11.710 ( 9.868 3.473 2.836) 10.839 12.371 ( -3.778 7.233 0.091) 8.161 12.525 ( -5.584 6.328 5.503) 10.075 13.239 ( -3.696 1.454 -12.799) 13.401 13.288 ( 0.814 -13.377 4.171) 14.036 13.775 ( 16.868 -0.106 12.630) 21.072 15.229 ( 12.677 -14.403 3.274) 19.465 17.384 ( -4.538 -1.610 -20.216) 20.781 19.009 ( 10.492 -1.639 13.136) 16.891 19.604 ( 17.153 8.101 1.399) 19.021 20.017 ( 13.985 -1.918 2.521) 14.339 21.414 ( -3.604 7.717 -14.009) 16.395 22.335 ( -21.791 -13.486 -0.428) 25.630 23.863 ( 3.177 0.621 1.304) 3.490 24.090 ( -0.219 2.383 10.278) 10.553 ======================= Grid point 154 (63/432) ======================= q-point: (-0.36 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -9.547 22.940 1.524) 24.894 1.708 ( -21.872 16.780 -11.762) 29.972 2.942 ( -15.268 38.559 -2.138) 41.527 3.240 ( -5.954 -11.245 -0.859) 12.753 3.271 ( -0.479 -14.943 4.093) 15.501 3.612 ( -2.792 -1.070 0.725) 3.077 4.295 ( -3.592 -6.992 -1.505) 8.003 4.562 ( -2.128 -3.392 5.856) 7.094 5.155 ( -13.943 -10.935 0.134) 17.720 5.261 ( -1.492 -11.472 -3.417) 12.063 5.477 ( -2.669 -9.234 2.360) 9.897 5.819 ( 4.485 1.949 2.711) 5.592 5.864 ( -28.112 -5.372 6.267) 29.299 6.715 ( -1.667 -0.769 1.227) 2.208 7.374 ( -9.659 3.962 6.273) 12.180 8.099 ( 3.915 2.744 4.911) 6.854 8.738 ( 8.559 -14.625 -8.742) 19.068 9.129 ( -4.492 -4.238 8.578) 10.570 9.510 ( -10.026 -15.807 -0.766) 18.734 9.658 ( 0.645 -1.632 -2.560) 3.103 10.921 ( -1.031 35.751 -2.385) 35.846 11.777 ( 4.288 8.083 2.142) 9.397 12.232 ( -5.563 12.457 1.473) 13.722 12.478 ( -3.345 2.521 2.333) 4.794 13.069 ( -1.595 1.597 -6.517) 6.896 13.464 ( 2.327 -12.886 1.747) 13.211 14.116 ( 14.817 0.470 9.331) 17.516 15.528 ( 11.800 -16.601 -2.497) 20.520 17.128 ( -3.173 1.400 -13.076) 13.528 19.300 ( 16.461 4.553 8.154) 18.926 19.758 ( 13.153 5.882 -0.212) 14.410 20.241 ( 13.287 3.208 4.993) 14.552 21.150 ( -2.970 3.046 -15.041) 15.631 22.125 ( -29.026 -14.197 2.201) 32.387 23.886 ( 2.185 2.393 -0.304) 3.255 24.211 ( -1.747 -1.383 11.661) 11.872 ======================= Grid point 155 (64/432) ======================= q-point: (-0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -11.108 23.272 2.942) 25.954 1.295 ( -7.017 24.401 9.383) 27.068 2.431 ( -13.762 42.732 6.805) 45.407 3.263 ( -3.226 -9.699 0.225) 10.224 3.446 ( -1.438 -14.731 6.200) 16.047 3.605 ( -1.156 -0.093 1.503) 1.899 4.320 ( 1.475 -5.545 -3.188) 6.564 4.666 ( -2.147 -4.252 12.149) 13.049 5.154 ( -12.490 -18.415 9.358) 24.139 5.232 ( -6.143 -7.128 -6.466) 11.417 5.502 ( -14.370 -8.656 7.503) 18.377 5.728 ( -9.247 -5.117 7.017) 12.686 5.879 ( 2.030 1.805 2.016) 3.383 6.722 ( 0.251 -1.733 -0.678) 1.877 7.267 ( -9.621 5.052 5.550) 12.202 8.155 ( 2.531 2.586 -0.943) 3.739 8.860 ( 10.749 -9.048 -10.077) 17.290 9.258 ( -3.879 -14.160 7.785) 16.618 9.497 ( -10.438 -17.810 -0.381) 20.647 9.680 ( 0.062 -2.225 0.802) 2.366 10.575 ( -0.646 35.859 -1.667) 35.903 11.769 ( 1.004 10.986 5.823) 12.474 12.066 ( -4.798 15.373 2.277) 16.265 12.441 ( -1.751 1.075 -0.623) 2.147 13.018 ( 1.210 0.720 -1.060) 1.762 13.588 ( 1.173 -11.123 -2.324) 11.424 14.293 ( 7.632 1.606 -7.697) 10.957 15.721 ( 8.540 -15.700 -12.223) 21.653 17.099 ( 3.183 -1.926 14.912) 15.369 19.543 ( 18.494 7.100 2.191) 19.931 19.808 ( 7.616 3.054 -7.993) 11.455 20.371 ( 4.123 10.024 5.005) 11.938 20.981 ( 3.918 -1.850 -13.052) 13.752 21.915 ( -30.506 -13.765 11.331) 35.334 23.886 ( 1.627 2.263 -0.339) 2.808 24.282 ( -7.301 -2.981 4.502) 9.081 ======================= Grid point 156 (65/432) ======================= q-point: (-0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 10.815 21.051 18.752) 30.195 1.211 ( 2.927 22.671 19.725) 30.193 2.084 ( -7.555 40.199 22.597) 46.729 3.320 ( 0.663 -7.439 -0.488) 7.484 3.610 ( -3.155 -12.137 7.140) 14.430 3.620 ( -1.282 0.215 3.799) 4.015 4.346 ( 3.844 -5.837 -5.912) 9.155 4.873 ( 1.199 -8.734 14.801) 17.228 5.152 ( 1.208 -2.274 -2.573) 3.640 5.245 ( -29.845 -18.254 20.096) 40.346 5.544 ( 0.157 -8.326 5.178) 9.806 5.782 ( -2.176 -1.235 5.759) 6.279 5.908 ( 0.405 -2.032 4.677) 5.115 6.731 ( 0.140 -2.070 -1.042) 2.322 7.206 ( -4.548 3.263 6.859) 8.854 8.042 ( -7.129 5.743 -9.614) 13.275 8.867 ( 5.392 0.375 -13.689) 14.717 9.419 ( -3.565 -19.476 6.932) 20.978 9.601 ( 0.355 -17.984 0.257) 17.989 9.676 ( -0.351 4.956 -0.764) 5.027 10.333 ( 5.516 26.933 4.214) 27.813 11.767 ( 0.860 12.905 7.174) 14.790 11.926 ( -4.661 12.533 7.127) 15.152 12.391 ( -0.781 0.985 -4.047) 4.238 13.042 ( 3.119 1.593 0.980) 3.637 13.609 ( -0.932 -6.714 -8.677) 11.011 14.060 ( -3.385 13.107 -20.403) 24.485 15.732 ( 1.923 -11.501 -15.925) 19.737 17.617 ( 8.869 -23.432 33.781) 42.058 19.562 ( -11.276 -3.427 -8.725) 14.664 19.842 ( 17.339 5.729 -6.486) 19.378 20.296 ( -5.438 7.859 -0.998) 9.608 20.957 ( 6.581 -0.019 -4.694) 8.083 21.916 ( -10.217 -10.511 19.548) 24.433 23.888 ( 1.254 1.397 0.272) 1.896 24.102 ( -15.111 5.996 -9.021) 18.592 ======================= Grid point 157 (66/432) ======================= q-point: (-0.09 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.850 22.368 16.095) 28.170 1.449 ( 5.285 19.370 23.553) 30.950 2.262 ( 19.779 21.011 39.351) 48.797 3.379 ( 2.864 -5.752 -3.086) 7.128 3.647 ( -3.816 -0.347 6.330) 7.399 3.735 ( -3.139 -8.770 6.803) 11.535 4.389 ( 4.690 -6.928 -5.349) 9.930 5.059 ( 3.988 0.158 -2.420) 4.667 5.185 ( -31.449 -11.119 24.689) 41.499 5.319 ( 14.013 -3.736 5.933) 15.669 5.594 ( -3.461 -5.167 -6.283) 8.840 5.813 ( -2.362 1.553 8.444) 8.904 6.128 ( 2.253 -17.664 12.970) 22.030 6.731 ( -2.721 -1.561 1.094) 3.322 7.240 ( 0.155 0.291 3.422) 3.438 7.683 ( -9.683 15.070 -11.645) 21.366 8.783 ( 1.383 6.882 -0.425) 7.032 9.521 ( -3.309 7.072 -3.873) 8.716 9.646 ( 2.745 -8.148 -0.472) 8.611 9.723 ( -0.189 -9.742 3.080) 10.219 10.426 ( 16.809 -1.434 2.739) 17.091 11.668 ( 2.106 21.072 -1.242) 21.214 11.957 ( -6.788 -1.661 15.710) 17.195 12.312 ( 0.753 1.304 -7.134) 7.291 13.040 ( 3.390 8.868 -5.171) 10.811 13.474 ( -0.870 5.867 -4.920) 7.706 13.770 ( -4.653 3.976 -5.329) 8.115 15.603 ( -4.597 -8.095 -17.790) 20.078 18.246 ( 3.102 -27.120 19.078) 33.303 19.243 ( -21.541 -5.347 -11.182) 24.853 19.803 ( -11.259 8.236 -0.028) 13.950 20.133 ( -6.693 2.563 -4.061) 8.238 21.098 ( 15.389 -3.172 1.977) 15.837 22.225 ( 12.514 -10.318 10.058) 19.085 23.676 ( -11.100 18.182 -10.566) 23.779 23.905 ( 1.473 0.319 0.997) 1.807 ======================= Grid point 161 (67/432) ======================= q-point: ( 0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -1.962 -0.000 4.492) 4.902 2.981 ( -11.953 -0.000 -6.269) 13.497 3.056 ( 11.602 0.000 12.848) 17.312 3.250 ( -6.758 -0.000 -6.115) 9.115 3.381 ( -9.050 -0.000 -11.935) 14.978 4.328 ( -4.222 -0.000 2.312) 4.814 4.584 ( 8.224 0.000 -4.695) 9.470 4.655 ( 9.378 0.000 -18.913) 21.110 4.954 ( -16.456 -0.000 -2.995) 16.726 5.265 ( -6.891 -0.000 2.758) 7.422 5.633 ( -10.962 -0.000 5.764) 12.385 5.880 ( -3.663 -0.000 -7.321) 8.187 6.498 ( -17.902 -0.000 14.563) 23.078 6.970 ( -8.928 -0.000 2.341) 9.230 7.086 ( 2.611 0.000 12.957) 13.218 7.878 ( 0.405 0.000 16.111) 16.116 8.214 ( -3.174 -0.000 -5.080) 5.990 9.227 ( -6.066 -0.000 5.463) 8.163 9.639 ( -11.645 -0.000 -6.311) 13.245 10.262 ( -6.509 -0.000 -13.893) 15.342 11.093 ( 23.953 0.000 10.764) 26.260 12.124 ( 7.986 0.000 -4.073) 8.965 12.440 ( 2.777 0.000 -0.567) 2.834 12.455 ( 10.748 0.000 7.814) 13.288 12.657 ( -3.868 -0.000 14.828) 15.324 13.253 ( -0.607 -0.000 1.065) 1.226 13.820 ( -5.474 -0.000 -17.425) 18.264 14.517 ( 8.061 0.000 8.907) 12.013 17.904 ( -6.195 -0.000 -15.409) 16.607 18.509 ( -0.877 -0.000 6.177) 6.239 19.438 ( 5.142 0.000 -1.823) 5.455 19.553 ( 17.134 0.000 -2.643) 17.337 22.171 ( 2.105 0.000 -20.630) 20.737 22.224 ( -9.393 -0.000 12.261) 15.445 23.616 ( 7.527 0.000 3.437) 8.275 24.069 ( -1.764 -0.000 3.741) 4.136 ======================= Grid point 162 (68/432) ======================= q-point: (-0.64 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -5.910 10.216 -5.912) 13.200 2.703 ( -15.094 0.581 -6.604) 16.486 3.091 ( -7.228 -0.937 -6.006) 9.444 3.147 ( -9.929 -5.745 -7.992) 13.981 3.360 ( 8.326 -1.993 10.652) 13.666 4.307 ( -8.379 -3.155 3.414) 9.582 4.438 ( 0.884 14.696 -15.870) 21.647 4.638 ( -6.957 -0.587 -6.976) 9.870 4.730 ( -2.060 -13.320 -5.668) 14.621 5.186 ( -11.220 -2.640 4.306) 12.304 5.557 ( -6.834 0.651 -0.278) 6.871 5.792 ( 0.731 0.625 -3.859) 3.977 6.363 ( -24.996 -0.195 10.345) 27.053 6.847 ( -10.416 1.079 1.059) 10.525 7.280 ( 3.303 0.992 13.792) 14.217 8.055 ( -1.465 2.052 9.678) 10.001 8.177 ( 3.167 -8.693 -2.514) 9.588 9.196 ( -7.575 1.603 5.053) 9.246 9.430 ( -11.220 -4.068 -5.046) 12.958 10.013 ( -4.499 2.677 -14.019) 14.965 11.478 ( 17.992 -0.448 7.326) 19.431 12.066 ( 6.510 28.224 0.511) 28.970 12.455 ( 0.061 0.492 0.205) 0.537 12.651 ( 1.515 -5.341 5.189) 7.599 12.792 ( -6.208 -12.249 8.959) 16.396 13.396 ( 14.334 -0.312 8.505) 16.670 13.537 ( -6.508 0.376 -16.074) 17.346 14.755 ( 11.259 -4.798 5.822) 13.553 17.635 ( -5.822 -0.676 -17.571) 18.522 18.670 ( 6.780 -1.743 12.996) 14.761 19.549 ( 14.152 4.394 2.260) 14.990 19.745 ( 15.677 -2.898 -3.060) 16.233 21.878 ( -2.257 10.286 -17.481) 20.408 22.240 ( -14.129 -10.823 4.382) 18.330 23.753 ( 5.604 -0.595 4.663) 7.315 24.090 ( -1.264 1.560 4.584) 5.004 ======================= Grid point 163 (69/432) ======================= q-point: (-0.55 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -8.237 16.177 -6.294) 19.213 2.392 ( -15.973 7.204 -8.125) 19.314 2.970 ( -6.061 -8.211 -3.679) 10.848 3.051 ( -8.312 -10.999 -2.243) 13.967 3.536 ( 3.879 0.557 5.032) 6.378 4.017 ( -10.896 18.827 -14.235) 25.997 4.247 ( -11.184 -2.641 0.369) 11.497 4.491 ( -1.569 -0.199 -2.131) 2.653 4.851 ( 1.237 -18.320 -3.157) 18.631 5.136 ( -12.261 -6.213 6.166) 15.065 5.431 ( -5.900 -0.042 -5.131) 7.819 5.794 ( 3.965 1.444 -0.137) 4.222 6.106 ( -29.025 -0.728 6.541) 29.761 6.735 ( -7.674 -0.686 0.844) 7.751 7.443 ( 0.892 3.793 11.248) 11.903 8.056 ( -1.038 0.209 1.423) 1.774 8.343 ( 5.221 -10.991 1.743) 12.292 9.123 ( -8.898 1.134 4.060) 9.846 9.315 ( -9.161 -9.443 -2.535) 13.398 9.800 ( -1.576 3.906 -10.191) 11.027 11.720 ( 11.423 5.496 2.519) 12.925 11.880 ( 3.963 31.847 2.574) 32.196 12.436 ( -1.724 1.670 -0.081) 2.401 12.637 ( -7.584 5.518 4.616) 10.454 12.985 ( 0.003 -21.049 4.056) 21.437 13.277 ( -4.694 1.432 -13.024) 13.918 13.758 ( 17.213 -1.334 12.440) 21.279 15.011 ( 11.729 -10.261 1.281) 15.637 17.369 ( -4.965 -0.412 -16.522) 17.257 18.988 ( 12.954 -0.876 16.139) 20.713 19.741 ( 17.953 8.017 0.843) 19.679 19.963 ( 16.277 -4.558 1.207) 16.946 21.548 ( -4.847 7.591 -18.373) 20.461 22.134 ( -20.377 -10.009 1.339) 22.742 23.866 ( 2.682 -0.029 4.534) 5.268 24.124 ( -0.272 1.524 5.816) 6.019 ======================= Grid point 164 (70/432) ======================= q-point: (-0.45 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -8.819 18.579 -1.698) 20.636 1.991 ( -14.879 16.611 -6.480) 23.223 3.005 ( -3.654 -15.160 1.964) 15.718 3.042 ( -6.169 -12.854 0.150) 14.258 3.530 ( -6.434 30.036 -5.414) 31.191 3.600 ( -3.438 0.184 -0.306) 3.456 4.177 ( -3.339 -6.481 -0.717) 7.326 4.506 ( -1.178 -2.965 3.696) 4.882 4.927 ( -8.810 -14.694 -2.721) 17.347 5.093 ( -8.964 -8.894 1.715) 12.744 5.353 ( -4.554 -5.355 0.539) 7.050 5.813 ( -25.302 -1.452 4.876) 25.808 5.852 ( 4.394 1.723 2.162) 5.192 6.682 ( -3.996 -2.755 0.181) 4.857 7.472 ( -4.575 7.557 6.467) 10.948 8.096 ( 2.983 -3.845 -0.087) 4.867 8.516 ( 5.447 -9.822 1.549) 11.337 9.067 ( -7.744 -3.101 4.098) 9.294 9.260 ( -9.352 -12.292 -2.872) 15.710 9.687 ( 1.104 3.111 -3.417) 4.751 11.562 ( 2.548 38.163 -1.613) 38.282 11.886 ( 4.924 5.547 4.135) 8.492 12.379 ( -2.576 4.615 -0.433) 5.303 12.540 ( -6.907 5.041 3.687) 9.312 13.098 ( -0.970 1.232 -7.663) 7.822 13.201 ( 0.764 -18.368 1.701) 18.462 14.100 ( 12.629 -1.694 9.136) 15.679 15.252 ( 10.620 -15.017 -3.640) 18.749 17.151 ( -2.796 1.253 -10.328) 10.773 19.350 ( 15.598 1.769 13.049) 20.413 19.862 ( 14.260 6.026 -6.026) 16.613 20.275 ( 19.041 0.884 8.289) 20.786 21.209 ( -6.071 3.809 -18.761) 20.083 21.929 ( -25.217 -9.341 1.812) 26.952 23.920 ( 0.505 1.642 2.562) 3.084 24.192 ( -0.749 -0.842 6.705) 6.799 ======================= Grid point 165 (71/432) ======================= q-point: (-0.36 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -6.827 22.521 4.667) 23.991 1.687 ( -5.500 22.001 6.363) 23.554 3.046 ( -5.441 6.057 -3.405) 8.826 3.106 ( -5.011 5.832 0.610) 7.713 3.197 ( -2.760 -5.848 9.147) 11.202 3.604 ( 0.264 0.199 1.117) 1.164 4.228 ( 2.918 -5.427 -1.949) 6.462 4.588 ( -3.122 -4.864 9.850) 11.421 4.863 ( -14.054 -15.503 2.690) 21.097 5.100 ( -2.877 -8.383 -2.747) 9.279 5.362 ( -10.555 -7.955 7.035) 14.973 5.662 ( -8.884 -2.832 6.352) 11.283 5.910 ( 1.913 1.790 2.586) 3.682 6.671 ( -1.206 -4.012 -1.445) 4.432 7.382 ( -6.443 8.783 4.178) 11.666 8.154 ( 2.798 -3.460 -3.824) 5.867 8.696 ( 6.293 -8.900 2.774) 11.248 9.062 ( -6.385 -9.028 0.575) 11.073 9.218 ( -7.951 -13.953 -1.752) 16.155 9.691 ( 2.128 2.026 3.301) 4.419 11.230 ( 1.231 40.571 -1.931) 40.635 11.919 ( 0.768 7.049 5.010) 8.682 12.285 ( -2.517 9.407 0.403) 9.747 12.468 ( -3.655 2.744 1.234) 4.734 13.039 ( 1.836 1.744 -1.186) 2.796 13.359 ( 0.693 -16.308 -1.919) 16.435 14.284 ( 4.319 -1.793 -1.024) 4.787 15.436 ( 8.021 -17.153 -9.902) 21.369 17.091 ( 2.008 0.451 5.003) 5.410 19.612 ( 7.148 1.953 5.105) 8.998 19.878 ( 14.232 4.573 -13.306) 20.013 20.539 ( 7.367 9.507 6.820) 13.826 20.951 ( 2.747 -1.635 -14.131) 14.488 21.736 ( -22.149 -8.312 8.963) 25.299 23.924 ( -0.287 2.191 1.143) 2.488 24.240 ( -4.208 -2.148 3.225) 5.720 ======================= Grid point 166 (72/432) ======================= q-point: (-0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 9.259 21.132 14.759) 27.388 1.596 ( 0.354 22.542 16.898) 28.175 2.736 ( -2.328 35.154 7.299) 35.979 3.171 ( 0.383 -9.965 0.953) 10.018 3.385 ( -2.897 -13.442 10.078) 17.048 3.623 ( -0.830 0.033 2.731) 2.855 4.253 ( 2.852 -4.963 -6.748) 8.849 4.729 ( -3.155 -8.023 13.177) 15.746 4.941 ( -15.083 -17.261 16.424) 28.199 5.121 ( 6.945 -3.165 -3.703) 8.483 5.404 ( -4.596 -8.472 5.774) 11.236 5.729 ( -1.758 -3.860 9.511) 10.414 5.920 ( -1.698 2.186 1.903) 3.359 6.679 ( 0.329 -4.095 -2.208) 4.664 7.290 ( -4.302 6.908 4.384) 9.243 8.094 ( -4.257 0.368 -8.577) 9.583 8.837 ( 6.366 -2.558 -5.131) 8.567 9.095 ( -5.571 -18.023 5.218) 19.573 9.299 ( 1.745 -16.221 0.080) 16.315 9.751 ( 0.637 3.667 6.194) 7.226 10.896 ( 1.578 38.016 -0.644) 38.054 11.921 ( -2.458 6.900 7.611) 10.563 12.173 ( -1.195 13.326 1.325) 13.444 12.414 ( -1.374 2.150 -2.062) 3.281 13.077 ( 4.382 2.532 2.987) 5.877 13.440 ( -0.476 -12.925 -5.562) 14.079 14.188 ( -5.179 3.248 -12.670) 14.068 15.501 ( 3.514 -15.402 -15.473) 22.113 17.352 ( 7.177 -9.661 21.924) 25.010 19.512 ( -12.679 -2.469 -12.594) 18.040 19.932 ( 14.282 4.881 -6.431) 16.406 20.403 ( -9.142 4.670 -8.007) 13.019 21.005 ( 10.775 5.631 1.871) 12.301 21.779 ( -2.188 -6.932 15.737) 17.335 23.912 ( -0.565 1.455 0.699) 1.710 24.156 ( -8.947 1.346 -4.441) 10.079 ======================= Grid point 167 (73/432) ======================= q-point: (-0.18 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 4.601 21.453 15.939) 27.119 1.763 ( 12.550 17.674 16.128) 27.019 2.701 ( 12.293 28.903 25.761) 40.622 3.259 ( 1.709 -8.346 -2.029) 8.758 3.557 ( -4.181 -10.631 9.757) 15.024 3.643 ( -2.046 -1.057 3.743) 4.395 4.270 ( 4.393 -6.751 -6.036) 10.065 4.946 ( -6.364 -10.877 18.881) 22.700 5.078 ( -9.076 -6.229 12.297) 16.504 5.247 ( 13.917 -2.884 0.918) 14.242 5.477 ( -1.493 -8.243 -1.638) 8.536 5.861 ( -1.201 2.432 8.481) 8.904 5.920 ( -1.849 -7.266 7.641) 10.705 6.694 ( -0.364 -2.969 -0.669) 3.065 7.259 ( -1.810 2.428 2.518) 3.939 7.850 ( -8.452 6.197 -11.147) 15.300 8.843 ( 5.138 1.107 -4.205) 6.731 9.293 ( -3.863 -21.176 5.056) 22.112 9.505 ( 7.510 -15.079 0.790) 16.864 9.759 ( 0.029 9.688 4.495) 10.680 10.654 ( 3.690 26.437 1.324) 26.726 11.905 ( -5.544 5.662 6.350) 10.154 12.071 ( -0.504 14.542 3.654) 15.002 12.339 ( 0.460 2.241 -6.393) 6.790 13.151 ( 6.000 5.237 1.570) 8.118 13.448 ( -0.539 -7.174 -4.660) 8.572 13.887 ( -9.164 7.062 -10.604) 15.694 15.430 ( -1.983 -12.258 -18.531) 22.307 17.849 ( 5.971 -19.222 22.955) 30.530 19.158 ( -17.092 -4.609 -16.239) 24.022 19.915 ( -6.031 5.231 0.228) 7.987 20.164 ( -8.667 0.863 -8.529) 12.190 21.127 ( 13.096 6.357 2.705) 14.806 22.095 ( 13.804 -6.204 12.078) 19.363 23.879 ( -7.434 4.832 -5.949) 10.677 23.926 ( -2.501 4.228 -2.730) 5.620 ======================= Grid point 168 (74/432) ======================= q-point: (-0.09 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 7.618 19.852 13.812) 25.355 1.942 ( 6.461 18.254 22.137) 29.411 3.100 ( 23.045 12.570 23.322) 35.114 3.323 ( 4.335 -5.921 -1.308) 7.454 3.658 ( -5.513 -3.327 11.093) 12.827 3.706 ( 0.910 -7.744 0.783) 7.837 4.338 ( 5.935 -6.208 -4.155) 9.541 5.053 ( -3.289 6.506 0.494) 7.307 5.117 ( -9.567 -5.361 14.735) 18.368 5.437 ( -1.788 -3.655 -7.320) 8.375 5.566 ( 10.829 -7.003 14.283) 19.243 5.862 ( -7.431 0.320 7.824) 10.795 6.175 ( 4.887 -12.452 11.826) 17.855 6.692 ( -4.386 -1.104 2.412) 5.126 7.176 ( -5.926 0.664 -9.096) 10.876 7.643 ( 0.779 7.516 -1.556) 7.714 8.860 ( 0.620 3.539 2.638) 4.457 9.383 ( -5.384 -11.233 -3.475) 12.933 9.685 ( -0.246 -6.124 2.347) 6.563 9.772 ( 7.582 7.852 6.841) 12.881 10.607 ( 8.243 4.274 -0.322) 9.291 11.805 ( -4.075 10.045 -0.667) 10.861 12.005 ( -4.410 6.297 5.216) 9.290 12.275 ( 4.490 1.088 -6.316) 7.826 13.118 ( 2.783 11.683 -4.558) 12.846 13.502 ( 2.615 -2.882 3.401) 5.169 13.661 ( -7.090 2.530 -1.633) 7.703 15.233 ( -6.748 -8.609 -20.253) 23.018 18.264 ( -1.814 -17.830 13.829) 22.637 18.853 ( -7.363 -5.953 -12.729) 15.864 19.696 ( -18.969 11.821 2.556) 22.496 19.961 ( -8.679 -1.820 -7.248) 11.453 21.316 ( 14.318 -1.005 2.623) 14.591 22.439 ( 16.463 -4.027 3.198) 17.247 23.600 ( -4.367 12.057 -7.704) 14.959 23.927 ( 0.152 -1.082 1.236) 1.650 ======================= Grid point 173 (75/432) ======================= q-point: ( 0.36 -0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -7.728 -0.000 -8.929) 11.809 2.456 ( -13.305 -0.000 -3.680) 13.805 2.894 ( -10.075 -0.000 -5.277) 11.373 2.938 ( -7.751 -0.000 -3.648) 8.567 3.537 ( 3.698 0.000 6.556) 7.527 4.104 ( -5.732 -0.000 -11.621) 12.958 4.366 ( -17.201 -0.000 -4.496) 17.779 4.553 ( 0.831 0.000 -8.294) 8.336 4.564 ( 3.683 0.000 2.959) 4.725 5.080 ( -13.741 -0.000 7.577) 15.691 5.431 ( -6.613 -0.000 -6.048) 8.961 5.807 ( 3.998 0.000 -0.154) 4.001 6.102 ( -29.382 -0.000 6.918) 30.186 6.727 ( -8.455 -0.000 0.024) 8.455 7.483 ( 3.864 0.000 11.599) 12.226 8.050 ( -1.671 -0.000 -6.332) 6.549 8.250 ( 3.839 0.000 10.637) 11.308 9.148 ( -8.981 -0.000 3.628) 9.686 9.218 ( -9.602 -0.000 -3.688) 10.286 9.836 ( -2.088 -0.000 -10.531) 10.736 11.745 ( 12.425 0.000 4.700) 13.284 12.306 ( 7.971 0.000 -2.021) 8.223 12.450 ( -2.266 -0.000 1.213) 2.570 12.636 ( -1.350 -0.000 2.949) 3.243 12.726 ( -10.316 -0.000 7.559) 12.789 13.290 ( -4.581 -0.000 -13.349) 14.113 13.745 ( 17.443 0.000 12.402) 21.402 14.920 ( 11.415 0.000 0.585) 11.430 17.366 ( -5.006 -0.000 -15.409) 16.201 18.980 ( 13.675 0.000 17.081) 21.880 19.861 ( 20.425 0.000 8.244) 22.026 19.872 ( 14.816 0.000 -6.693) 16.258 21.626 ( -4.627 -0.000 -23.389) 23.843 22.037 ( -20.387 -0.000 5.369) 21.082 23.866 ( 2.587 0.000 5.573) 6.144 24.138 ( -0.410 -0.000 4.462) 4.481 ======================= Grid point 175 (76/432) ======================= q-point: (-0.55 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -7.337 9.096 -3.291) 12.141 2.232 ( -10.280 9.940 -2.056) 14.447 2.790 ( -6.576 -8.529 0.923) 10.809 2.848 ( -7.148 -8.453 -0.841) 11.102 3.595 ( -1.117 -0.001 0.999) 1.498 3.904 ( -0.258 10.241 -11.967) 15.753 4.129 ( -7.851 2.616 -0.004) 8.275 4.474 ( -1.005 -0.538 -0.631) 1.303 4.696 ( -2.020 -10.951 2.230) 11.357 4.983 ( -15.168 -3.566 5.429) 16.500 5.295 ( -6.198 -1.686 -2.012) 6.731 5.801 ( -24.734 -0.250 4.283) 25.104 5.872 ( 4.156 0.660 2.013) 4.664 6.642 ( -5.018 -1.474 -0.651) 5.271 7.606 ( 0.832 6.753 6.974) 9.743 7.987 ( -0.144 -6.607 -4.805) 8.171 8.421 ( 3.721 -2.239 8.301) 9.368 9.044 ( -8.838 0.758 1.411) 8.982 9.108 ( -7.601 -5.992 -2.620) 10.027 9.730 ( 0.164 1.510 -3.980) 4.260 11.906 ( 7.268 2.539 2.575) 8.118 12.204 ( 3.226 29.703 -0.501) 29.882 12.417 ( -2.506 1.431 -0.231) 2.895 12.612 ( -7.582 2.025 3.416) 8.559 12.830 ( -1.011 -22.951 2.496) 23.109 13.124 ( -1.280 0.653 -7.609) 7.743 14.076 ( 11.965 -0.852 9.260) 15.154 15.065 ( 10.204 -6.143 -4.174) 12.621 17.166 ( -2.549 0.488 -9.366) 9.719 19.367 ( 15.028 0.464 15.180) 21.365 19.941 ( 13.730 2.758 -10.748) 17.653 20.277 ( 23.063 -0.285 12.189) 26.087 21.263 ( -7.575 2.075 -22.703) 24.023 21.816 ( -23.260 -3.704 3.597) 23.826 23.939 ( -0.464 0.579 4.809) 4.866 24.182 ( -0.260 -0.281 3.735) 3.754 ======================= Grid point 176 (77/432) ======================= q-point: (-0.45 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -3.857 18.521 7.105) 20.208 2.017 ( -5.072 16.472 3.877) 17.666 2.855 ( -4.476 -12.684 3.686) 13.947 2.889 ( -3.222 -15.149 3.722) 15.929 3.540 ( -2.815 8.235 -2.164) 8.968 3.678 ( 2.241 15.592 -4.023) 16.257 4.132 ( 3.574 -6.284 -1.599) 7.404 4.516 ( -2.475 -3.178 8.539) 9.441 4.656 ( -14.949 -8.601 -0.839) 17.267 4.968 ( -0.139 -6.682 1.895) 6.947 5.246 ( -12.052 -5.422 7.631) 15.261 5.629 ( -9.289 -1.189 5.212) 10.718 5.935 ( 1.743 1.056 2.810) 3.471 6.604 ( -1.815 -3.462 -2.048) 4.413 7.557 ( -3.217 11.574 2.910) 12.360 8.037 ( 2.625 -9.765 -4.325) 10.998 8.579 ( 1.776 -5.057 7.972) 9.607 8.961 ( -6.898 -3.044 -0.555) 7.560 9.043 ( -4.443 -6.893 -3.036) 8.745 9.726 ( 1.515 1.748 3.453) 4.156 11.876 ( 3.703 30.684 -3.040) 31.056 12.028 ( -0.710 10.435 4.819) 11.516 12.366 ( -1.135 1.680 -1.946) 2.811 12.539 ( -5.639 4.399 4.083) 8.235 13.022 ( 0.788 -19.639 -2.350) 19.795 13.079 ( 1.438 -1.632 -0.053) 2.176 14.252 ( 3.027 -1.564 1.605) 3.766 15.185 ( 7.862 -11.488 -8.747) 16.441 17.102 ( 1.866 0.646 1.101) 2.261 19.629 ( 2.776 0.476 4.955) 5.699 19.944 ( 16.480 2.970 -15.513) 22.827 20.674 ( 11.112 6.082 8.750) 15.396 20.929 ( 1.091 -0.972 -14.880) 14.952 21.626 ( -18.884 -4.676 8.141) 21.089 23.955 ( -2.145 1.439 2.745) 3.770 24.210 ( -2.159 -1.331 1.703) 3.055 ======================= Grid point 177 (78/432) ======================= q-point: (-0.36 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 4.668 19.073 9.437) 21.786 1.954 ( 0.752 19.939 17.338) 26.433 2.965 ( -0.291 -10.116 3.616) 10.747 3.028 ( -2.820 -11.718 3.823) 12.644 3.397 ( 4.071 21.148 5.425) 22.209 3.626 ( -0.768 1.306 1.078) 1.859 4.181 ( 1.781 -4.050 -5.798) 7.293 4.594 ( -1.004 -10.791 0.835) 10.870 4.676 ( -10.049 -10.437 19.576) 24.354 5.064 ( 7.597 -3.288 -0.053) 8.278 5.266 ( -8.307 -7.691 9.327) 14.668 5.676 ( -0.823 -2.337 8.948) 9.285 5.955 ( -1.767 1.714 2.605) 3.584 6.603 ( 0.746 -4.523 -2.748) 5.345 7.439 ( -3.976 10.638 1.986) 11.529 8.055 ( -0.399 -4.683 -7.519) 8.867 8.744 ( -1.909 -11.544 8.758) 14.616 8.888 ( -2.767 -3.243 -4.699) 6.345 9.081 ( 3.158 -9.509 -0.105) 10.021 9.803 ( 1.266 2.487 8.599) 9.041 11.556 ( 1.187 39.277 -3.156) 39.422 12.013 ( -3.499 4.245 5.112) 7.510 12.313 ( 0.401 3.441 -2.674) 4.376 12.485 ( -2.927 6.019 3.300) 7.462 13.110 ( 4.172 -2.393 0.792) 4.874 13.185 ( 0.606 -14.120 -0.580) 14.145 14.205 ( -6.321 -0.347 -7.170) 9.564 15.245 ( 4.323 -14.005 -13.674) 20.045 17.251 ( 6.571 -3.281 13.332) 15.221 19.479 ( -12.644 -1.496 -15.366) 19.956 20.003 ( 13.479 3.461 -7.485) 15.802 20.453 ( -11.695 1.507 -14.984) 19.067 21.131 ( 14.499 8.631 10.358) 19.798 21.666 ( -0.568 -6.686 14.101) 15.616 23.934 ( -2.606 1.085 1.137) 3.043 24.165 ( -5.275 0.057 -2.765) 5.956 ======================= Grid point 178 (79/432) ======================= q-point: (-0.27 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 6.303 16.777 13.367) 22.358 2.062 ( 8.939 18.440 14.830) 25.295 3.073 ( 4.831 2.667 6.457) 8.494 3.121 ( 2.225 -3.812 4.689) 6.440 3.462 ( 4.083 7.051 12.970) 15.317 3.619 ( -3.514 -1.863 1.742) 4.342 4.175 ( 3.507 -4.443 -4.453) 7.202 4.766 ( 0.050 -11.285 11.190) 15.892 4.895 ( -5.051 -12.785 18.185) 22.796 5.232 ( 13.802 -1.441 -0.748) 13.897 5.335 ( -4.760 -7.168 4.936) 9.920 5.815 ( 1.304 -3.030 10.293) 10.809 5.929 ( -4.128 2.737 3.804) 6.245 6.633 ( 1.999 -4.099 -1.710) 4.870 7.331 ( -4.272 6.130 0.334) 7.479 7.918 ( -5.195 2.545 -9.728) 11.318 8.856 ( 4.104 0.291 -3.844) 5.630 8.925 ( -5.313 -20.942 6.074) 22.443 9.273 ( 9.274 -11.824 2.580) 15.246 9.891 ( 0.349 6.078 10.283) 11.949 11.207 ( 0.519 36.976 -2.859) 37.090 11.966 ( -8.161 2.585 4.251) 9.558 12.263 ( 2.684 5.782 -2.256) 6.762 12.419 ( -1.555 8.320 -0.248) 8.467 13.183 ( 2.733 -6.691 -4.200) 8.360 13.316 ( 4.227 -3.217 6.461) 8.364 13.963 ( -12.015 2.098 -10.180) 15.887 15.206 ( -0.105 -13.665 -17.972) 22.577 17.605 ( 7.744 -10.217 19.457) 23.301 19.092 ( -15.656 -3.268 -19.304) 25.069 19.987 ( -4.475 3.633 -2.059) 6.120 20.162 ( -6.333 -1.038 -12.770) 14.292 21.285 ( 9.481 11.568 6.377) 16.259 21.993 ( 13.626 -6.373 13.651) 20.314 23.898 ( -3.509 0.042 -0.417) 3.534 24.013 ( -5.536 4.135 -6.456) 9.457 ======================= Grid point 179 (80/432) ======================= q-point: (-0.18 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 5.476 19.747 12.594) 24.053 2.209 ( 11.096 13.641 13.590) 22.224 3.164 ( 2.330 -5.644 -2.086) 6.452 3.331 ( 10.047 1.150 12.546) 16.114 3.608 ( -2.244 -4.704 -1.368) 5.388 3.631 ( 5.719 7.265 17.451) 19.749 4.254 ( 7.597 -3.712 -1.170) 8.536 4.993 ( -1.582 -9.260 12.091) 15.311 5.112 ( -4.841 -2.159 14.291) 15.242 5.353 ( -1.924 -6.576 -3.402) 7.650 5.428 ( 8.513 -5.583 7.517) 12.655 5.885 ( -4.965 2.002 4.858) 7.229 6.035 ( 6.234 -4.622 11.803) 14.125 6.669 ( 0.132 -1.894 0.293) 1.921 7.194 ( -7.497 1.912 -7.336) 10.662 7.742 ( -0.430 4.979 -4.334) 6.615 8.880 ( 2.654 -1.297 -1.463) 3.296 9.084 ( -4.154 -20.021 1.532) 20.504 9.529 ( 7.039 -10.734 3.861) 13.404 9.954 ( 2.805 10.615 10.757) 15.371 10.904 ( 1.065 28.368 -2.650) 28.512 11.844 ( -12.932 -0.227 0.040) 12.935 12.232 ( 2.686 12.372 1.639) 12.765 12.306 ( 2.079 5.057 -6.710) 8.656 13.197 ( 1.615 -4.166 -5.317) 6.945 13.474 ( 3.643 2.013 5.869) 7.195 13.703 ( -9.366 1.545 -1.848) 9.670 15.060 ( -4.256 -11.696 -20.388) 23.887 18.002 ( 3.433 -13.044 16.148) 21.040 18.755 ( -8.570 -5.326 -14.774) 17.891 19.815 ( -15.680 1.750 2.202) 15.931 19.965 ( -6.331 3.005 -9.355) 11.689 21.373 ( 10.868 7.383 0.741) 13.159 22.371 ( 15.474 -4.383 9.205) 18.531 23.759 ( -4.417 6.680 -7.688) 11.101 23.914 ( -1.488 -0.205 -0.360) 1.545 ======================= Grid point 180 (81/432) ======================= q-point: (-0.09 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 4.809 15.256 9.243) 18.475 2.436 ( 10.206 14.201 20.148) 26.679 3.205 ( 2.027 -5.889 -3.757) 7.274 3.484 ( -2.067 -3.787 2.890) 5.193 3.601 ( -0.685 -9.175 -6.324) 11.165 3.981 ( 20.107 7.544 21.356) 30.287 4.368 ( 8.594 -0.721 -2.445) 8.964 5.064 ( 0.454 3.683 -4.320) 5.695 5.172 ( -7.787 2.998 16.128) 18.159 5.312 ( -2.978 -3.222 -3.992) 5.931 5.715 ( -7.927 -13.816 16.221) 22.733 5.904 ( 3.126 1.759 10.730) 11.314 6.313 ( 7.498 -6.274 9.804) 13.846 6.652 ( -6.766 1.116 2.470) 7.288 6.947 ( -7.017 -0.198 -12.981) 14.758 7.755 ( 8.005 3.440 2.107) 8.964 8.869 ( -7.348 -1.181 0.812) 7.486 9.199 ( -0.347 -13.471 0.228) 13.477 9.643 ( -2.714 -1.861 0.347) 3.309 10.082 ( 10.412 8.475 11.441) 17.639 10.736 ( 4.438 12.425 -1.839) 13.321 11.647 ( -14.920 -4.832 -5.554) 16.638 12.133 ( 2.777 15.122 0.187) 15.376 12.300 ( 6.788 0.707 -3.658) 7.743 13.175 ( 0.544 4.388 -1.418) 4.643 13.386 ( -9.839 -4.168 -5.497) 12.017 13.781 ( 6.722 4.308 12.321) 14.682 14.836 ( -6.804 -8.580 -19.778) 22.607 18.191 ( -7.295 -8.401 3.902) 11.791 18.698 ( 8.077 -9.670 -4.794) 13.481 19.581 ( -20.327 12.036 4.556) 24.058 19.746 ( -6.359 -1.204 -9.291) 11.323 21.479 ( 9.729 -1.042 -0.531) 9.799 22.649 ( 12.299 0.050 3.355) 12.748 23.585 ( 1.000 8.594 -6.112) 10.593 23.913 ( -1.599 -3.160 0.908) 3.656 ======================= Grid point 186 (82/432) ======================= q-point: ( 0.45 -0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -2.017 -0.000 10.287) 10.483 2.178 ( -5.061 -0.000 1.069) 5.173 2.710 ( -4.714 -0.000 5.025) 6.890 2.741 ( -4.216 -0.000 2.917) 5.126 3.571 ( -1.375 -0.000 -0.080) 1.378 3.894 ( 10.213 0.000 -11.470) 15.358 4.038 ( -4.148 -0.000 -1.908) 4.565 4.491 ( -1.044 -0.000 8.521) 8.585 4.582 ( -15.312 -0.000 -0.143) 15.313 4.905 ( 1.022 0.000 4.154) 4.278 5.197 ( -13.644 -0.000 7.991) 15.812 5.620 ( -9.367 -0.000 4.684) 10.473 5.944 ( 1.648 0.000 2.852) 3.294 6.572 ( -1.961 -0.000 -2.257) 2.990 7.706 ( -0.802 -0.000 2.159) 2.304 7.901 ( 1.267 0.000 -3.060) 3.312 8.534 ( -0.241 -0.000 7.492) 7.495 8.942 ( -7.373 -0.000 -0.442) 7.387 8.983 ( -2.440 -0.000 -2.679) 3.624 9.742 ( 1.245 0.000 3.279) 3.508 12.011 ( 2.525 0.000 2.685) 3.686 12.336 ( 1.824 0.000 -5.423) 5.721 12.459 ( -0.176 -0.000 2.915) 2.920 12.557 ( -4.261 -0.000 0.614) 4.305 12.684 ( -3.935 -0.000 1.366) 4.165 13.087 ( 2.385 0.000 -0.605) 2.461 14.239 ( 2.669 0.000 2.326) 3.540 15.084 ( 7.875 0.000 -8.446) 11.548 17.108 ( 1.876 0.000 0.070) 1.877 19.633 ( 1.769 0.000 4.675) 4.999 19.970 ( 16.915 0.000 -16.250) 23.456 20.727 ( 13.355 0.000 10.020) 16.696 20.921 ( -0.121 -0.000 -15.553) 15.554 21.586 ( -18.278 -0.000 7.946) 19.930 23.968 ( -3.023 -0.000 3.546) 4.660 24.199 ( -1.289 -0.000 0.927) 1.588 ======================= Grid point 188 (83/432) ======================= q-point: (-0.45 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.747 9.852 4.100) 10.697 2.244 ( 1.252 12.746 20.235) 23.948 2.788 ( -2.030 -10.465 7.578) 13.079 2.806 ( 0.174 -8.321 5.363) 9.901 3.575 ( 0.865 0.784 1.262) 1.719 3.819 ( 8.504 17.762 -5.408) 20.421 4.084 ( 4.204 -8.856 -2.284) 10.065 4.392 ( -11.246 -8.184 -1.198) 13.960 4.616 ( -1.552 -0.289 14.016) 14.105 5.022 ( 5.901 -1.461 2.284) 6.494 5.163 ( -9.711 -3.759 13.341) 16.924 5.651 ( 0.123 -0.679 8.410) 8.438 5.974 ( -1.718 0.550 2.801) 3.331 6.545 ( 1.099 -1.972 -2.783) 3.584 7.620 ( -4.240 9.027 -1.475) 10.082 7.953 ( 3.600 -6.206 -2.470) 7.588 8.567 ( -8.878 -6.454 4.317) 11.795 8.889 ( 0.304 0.902 -0.266) 0.989 8.976 ( 2.947 -3.220 -0.450) 4.388 9.832 ( 1.730 0.918 9.086) 9.294 12.033 ( -0.980 4.146 1.947) 4.684 12.192 ( -0.719 25.832 -3.881) 26.132 12.353 ( 0.340 5.830 -2.643) 6.410 12.562 ( -3.034 1.358 4.936) 5.951 12.783 ( -1.132 -24.825 -3.778) 25.136 13.167 ( 5.330 1.072 6.288) 8.313 14.195 ( -6.943 -0.463 -4.940) 8.533 15.071 ( 4.721 -5.777 -12.534) 14.586 17.221 ( 6.399 -0.710 9.478) 11.458 19.462 ( -12.474 -0.513 -16.883) 20.998 20.043 ( 13.790 1.290 -8.511) 16.256 20.465 ( -13.200 0.226 -17.787) 22.151 21.264 ( 19.984 5.783 16.113) 26.314 21.563 ( -4.150 -4.673 12.012) 13.540 23.947 ( -4.083 0.402 1.441) 4.349 24.164 ( -3.224 -0.091 -2.287) 3.954 ======================= Grid point 189 (84/432) ======================= q-point: (-0.36 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 6.807 10.622 8.004) 14.940 2.369 ( 3.220 17.253 16.970) 24.413 2.948 ( 2.654 -8.008 3.505) 9.135 2.991 ( 0.537 -12.178 10.185) 15.885 3.578 ( -2.775 -1.848 -0.758) 3.419 3.780 ( 12.930 21.393 4.850) 25.463 4.122 ( 1.073 -1.652 -0.115) 1.973 4.513 ( 5.656 -18.086 4.016) 19.370 4.762 ( -4.706 -2.860 16.844) 17.722 5.135 ( -0.254 -7.419 5.864) 9.460 5.296 ( 5.910 0.351 7.256) 9.365 5.786 ( 2.463 -0.788 9.916) 10.248 5.963 ( -3.777 1.247 3.593) 5.360 6.569 ( 3.458 -3.041 -1.936) 4.995 7.449 ( -6.771 6.970 -3.627) 10.372 7.960 ( 0.642 3.007 -5.146) 5.995 8.573 ( -9.646 -18.029 2.205) 20.566 8.902 ( 3.881 3.090 0.341) 4.972 9.114 ( 8.320 -7.185 3.314) 11.482 9.966 ( 1.699 2.981 12.423) 12.889 11.833 ( 0.388 35.800 -5.730) 36.258 11.998 ( -9.380 1.410 2.079) 9.711 12.308 ( 3.441 1.407 -5.342) 6.508 12.560 ( -1.659 6.548 4.896) 8.343 12.915 ( -0.483 -21.647 -5.698) 22.389 13.342 ( 7.575 2.501 11.442) 13.948 13.974 ( -13.737 -0.233 -8.985) 16.416 15.003 ( 0.866 -9.490 -16.850) 19.358 17.490 ( 8.450 -4.026 15.688) 18.268 19.050 ( -14.977 -1.710 -21.205) 26.017 20.042 ( -3.641 3.062 -5.833) 7.527 20.134 ( -5.281 -2.152 -13.438) 14.598 21.489 ( 7.198 11.976 8.967) 16.603 21.874 ( 13.656 -7.925 15.241) 21.945 23.897 ( -4.385 -0.120 -0.238) 4.393 24.061 ( -3.994 1.749 -5.662) 7.146 ======================= Grid point 190 (85/432) ======================= q-point: (-0.27 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.836 12.679 12.709) 19.588 2.428 ( 6.892 13.642 7.526) 17.037 3.063 ( 3.616 -5.525 -0.356) 6.613 3.223 ( 2.831 -9.823 8.576) 13.344 3.521 ( -7.062 -5.108 -1.979) 8.937 3.904 ( 16.132 19.490 12.750) 28.331 4.212 ( 7.594 -1.443 3.002) 8.293 4.804 ( 5.034 -13.531 8.474) 16.740 4.969 ( -3.827 -10.839 18.601) 21.867 5.234 ( -5.061 -6.507 5.717) 10.032 5.431 ( 8.440 3.149 1.610) 9.151 5.918 ( -0.440 1.792 5.614) 5.909 5.993 ( 2.412 -1.154 9.987) 10.339 6.630 ( 4.089 -2.550 -0.951) 4.912 7.241 ( -8.900 3.415 -7.825) 12.333 7.837 ( -1.321 7.253 -3.860) 8.322 8.658 ( -6.690 -21.866 -0.343) 22.869 8.946 ( 4.482 1.304 1.176) 4.814 9.359 ( 9.545 -9.003 5.472) 14.216 10.101 ( 1.997 6.744 13.601) 15.312 11.457 ( -0.498 35.042 -6.351) 35.616 11.842 ( -14.598 0.108 -1.738) 14.701 12.293 ( 5.745 0.861 -5.774) 8.191 12.504 ( -1.379 11.925 2.078) 12.183 13.009 ( -0.062 -16.596 -4.805) 17.278 13.546 ( 3.671 4.801 7.622) 9.727 13.704 ( -10.497 -1.276 -1.587) 10.693 14.861 ( -2.779 -11.071 -20.074) 23.092 17.832 ( 6.606 -7.284 16.038) 18.813 18.681 ( -9.611 -3.390 -16.097) 19.052 19.807 ( -12.572 -1.241 -6.061) 14.011 20.020 ( -3.764 2.475 -5.092) 6.799 21.537 ( 7.362 11.156 0.792) 13.389 22.287 ( 13.704 -5.654 13.952) 20.357 23.820 ( -4.481 1.042 -3.325) 5.676 23.931 ( -1.908 2.053 -5.354) 6.043 ======================= Grid point 191 (86/432) ======================= q-point: (-0.18 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.096 14.355 3.155) 14.698 2.621 ( 13.013 8.140 14.393) 21.042 3.127 ( 3.358 -3.092 -2.901) 5.409 3.385 ( 0.044 -6.580 2.577) 7.067 3.459 ( -4.730 -8.187 -3.283) 10.009 4.165 ( 17.825 13.233 17.054) 27.995 4.368 ( 10.706 0.618 0.602) 10.741 5.023 ( 0.715 -6.321 6.861) 9.356 5.193 ( -3.957 -10.065 8.056) 13.485 5.253 ( -7.562 1.060 9.302) 12.034 5.524 ( -0.666 -5.235 6.667) 8.503 5.948 ( -0.161 3.102 8.240) 8.806 6.221 ( 7.810 -4.613 9.979) 13.486 6.671 ( 0.394 0.668 0.304) 0.833 6.971 ( -9.256 2.682 -12.806) 16.027 7.795 ( 5.189 2.378 0.908) 5.780 8.712 ( -9.177 -17.419 -2.247) 19.816 9.032 ( 4.322 -3.893 2.324) 6.263 9.585 ( 5.017 -4.987 3.990) 8.122 10.225 ( 4.120 8.334 12.595) 15.654 11.116 ( 1.638 29.614 -5.053) 30.087 11.583 ( -18.375 -2.329 -6.677) 19.689 12.303 ( 6.171 0.792 -5.720) 8.451 12.394 ( 0.088 13.754 1.254) 13.812 13.081 ( -0.624 -12.626 -3.441) 13.101 13.379 ( -11.784 0.709 -4.446) 12.615 13.858 ( 7.908 4.490 14.537) 17.147 14.667 ( -4.756 -10.952 -19.969) 23.266 18.077 ( -1.252 -5.202 7.418) 9.146 18.548 ( 3.421 -7.834 -5.544) 10.189 19.631 ( -11.166 -2.151 -0.566) 11.385 19.834 ( -10.063 7.717 -4.210) 13.362 21.533 ( 7.826 6.949 -4.414) 11.359 22.625 ( 10.480 -2.772 10.480) 15.078 23.700 ( 0.025 4.763 -6.158) 7.785 23.867 ( -2.131 -1.907 -1.947) 3.460 ======================= Grid point 192 (87/432) ======================= q-point: (-0.09 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -2.342 5.123 0.712) 5.678 2.859 ( 8.100 6.962 10.266) 14.814 3.140 ( 0.141 -3.692 -1.993) 4.198 3.388 ( -6.458 -4.640 1.694) 8.131 3.493 ( 4.987 -3.385 -3.419) 6.929 4.448 ( 9.732 2.884 -8.430) 13.195 4.489 ( 14.709 6.835 14.062) 21.466 5.061 ( -1.112 3.695 -0.459) 3.886 5.209 ( -4.034 -1.691 -0.691) 4.429 5.277 ( -5.712 1.642 10.968) 12.475 5.607 ( -14.370 -10.176 10.897) 20.707 6.101 ( 2.153 -2.471 11.893) 12.336 6.452 ( 2.015 -6.937 7.922) 10.721 6.566 ( -7.966 6.649 -1.619) 10.502 6.784 ( -0.217 -0.374 -3.255) 3.283 7.945 ( 13.577 -0.516 3.466) 14.022 8.650 ( -15.322 -10.252 -1.175) 18.473 9.174 ( 3.972 -7.652 3.230) 9.207 9.609 ( -3.039 4.696 -1.247) 5.731 10.373 ( 6.731 3.702 8.238) 11.263 10.935 ( 7.420 19.069 0.208) 20.463 11.274 ( -18.278 -6.569 -10.252) 21.962 12.277 ( 3.648 7.755 -0.832) 8.610 12.368 ( 4.181 2.589 -0.352) 4.930 13.110 ( -3.774 -11.207 -4.545) 12.669 13.230 ( -4.805 4.079 1.778) 6.549 14.047 ( 5.121 4.594 6.633) 9.557 14.500 ( -2.127 -7.141 -11.037) 13.317 18.088 ( -3.816 -1.541 -0.275) 4.125 18.712 ( 10.560 -11.019 -1.461) 15.332 19.480 ( -18.302 10.600 5.368) 21.820 19.594 ( -2.103 2.073 -7.096) 7.686 21.544 ( 6.727 -0.684 -4.973) 8.393 22.830 ( 5.523 2.289 6.042) 8.500 23.623 ( 4.914 5.826 -4.687) 8.947 23.854 ( -2.817 -5.220 0.097) 5.933 ======================= Grid point 199 (88/432) ======================= q-point: (-0.45 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 5.963 0.000 4.925) 7.734 2.566 ( -1.125 -0.000 20.537) 20.568 2.829 ( 3.361 0.000 7.963) 8.643 2.875 ( 3.772 0.000 6.243) 7.294 3.560 ( -3.584 -0.000 -1.588) 3.920 4.011 ( 16.694 0.000 -8.071) 18.543 4.174 ( 7.754 0.000 12.955) 15.099 4.241 ( -3.283 -0.000 1.902) 3.794 4.750 ( -1.094 -0.000 10.926) 10.980 5.061 ( -6.293 -0.000 10.845) 12.539 5.301 ( 8.870 0.000 7.865) 11.855 5.781 ( 2.978 0.000 9.929) 10.366 5.973 ( -3.614 -0.000 3.384) 4.951 6.542 ( 3.893 0.000 -1.887) 4.327 7.517 ( -8.247 -0.000 -7.069) 10.862 8.003 ( 6.917 0.000 0.550) 6.939 8.392 ( -14.256 -0.000 -0.375) 14.261 8.942 ( 3.633 0.000 1.347) 3.875 9.043 ( 7.460 0.000 3.218) 8.124 9.991 ( 2.308 0.000 12.882) 13.087 12.006 ( -8.886 -0.000 1.651) 9.038 12.237 ( 2.154 0.000 -7.880) 8.169 12.405 ( 1.996 0.000 -12.049) 12.213 12.533 ( -0.810 -0.000 4.288) 4.364 12.635 ( -2.248 -0.000 4.165) 4.733 13.365 ( 7.638 0.000 11.940) 14.174 13.970 ( -14.364 -0.000 -8.640) 16.762 14.919 ( 1.172 0.000 -16.336) 16.378 17.458 ( 8.626 0.000 14.269) 16.674 19.035 ( -14.743 -0.000 -21.868) 26.373 20.086 ( 4.786 0.000 -5.800) 7.519 20.097 ( -13.259 -0.000 -14.952) 19.984 21.636 ( 2.641 0.000 6.747) 7.245 21.763 ( 17.573 0.000 18.968) 25.857 23.896 ( -4.772 -0.000 -0.243) 4.778 24.076 ( -3.378 -0.000 -5.382) 6.354 ======================= Grid point 201 (89/432) ======================= q-point: (-0.36 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 12.078 4.031 8.794) 15.475 2.642 ( -3.214 9.178 6.718) 11.819 2.998 ( 6.627 -1.300 4.079) 7.890 3.063 ( 5.707 -8.126 9.495) 13.739 3.454 ( -8.876 -2.316 -3.660) 9.876 4.172 ( 22.110 4.473 -3.766) 22.870 4.237 ( 1.533 10.992 14.398) 18.180 4.554 ( 9.236 -14.571 11.356) 20.654 4.843 ( -3.098 -3.684 9.084) 10.281 5.150 ( -5.964 -2.948 14.525) 15.976 5.476 ( 7.943 1.587 2.664) 8.527 5.941 ( 4.058 0.803 8.487) 9.442 5.981 ( -2.261 -0.353 6.948) 7.315 6.595 ( 6.101 -1.245 -1.568) 6.421 7.291 ( -9.665 1.815 -9.687) 13.804 8.006 ( -0.526 12.935 -1.300) 13.010 8.304 ( -8.383 -19.064 -0.015) 20.825 8.986 ( 3.568 2.247 0.228) 4.223 9.241 ( 10.272 -4.339 6.751) 13.036 10.177 ( 2.706 2.277 14.605) 15.027 11.829 ( -15.752 0.853 -4.369) 16.369 12.026 ( 0.688 26.866 -8.187) 28.094 12.301 ( 5.480 0.058 -8.444) 10.067 12.647 ( -1.304 4.483 4.516) 6.496 12.679 ( -1.150 -20.135 -0.527) 20.175 13.614 ( 2.409 3.335 8.543) 9.482 13.669 ( -10.725 -2.542 -1.917) 11.187 14.722 ( -2.208 -4.677 -19.756) 20.421 17.753 ( 7.962 -2.245 15.344) 17.432 18.643 ( -10.047 -1.148 -16.765) 19.578 19.792 ( -10.973 -0.491 -10.091) 14.915 20.044 ( -2.543 0.593 -3.651) 4.489 21.701 ( 6.163 6.543 -0.483) 9.002 22.196 ( 12.177 -4.015 18.404) 22.430 23.823 ( -5.052 -0.131 -1.375) 5.238 23.960 ( -1.433 1.013 -7.668) 7.866 ======================= Grid point 202 (90/432) ======================= q-point: (-0.27 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -5.686 8.483 -3.005) 10.645 2.718 ( 14.277 3.560 10.496) 18.074 3.115 ( 5.185 2.106 0.500) 5.619 3.289 ( 2.834 -4.550 3.864) 6.608 3.324 ( -4.917 -7.727 -1.127) 9.228 4.386 ( 25.302 8.599 -3.370) 26.935 4.391 ( 1.654 5.609 17.473) 18.425 4.888 ( 4.635 -10.402 11.748) 16.362 4.966 ( -4.455 -11.364 8.916) 15.116 5.254 ( -7.647 -0.927 14.667) 16.567 5.525 ( 0.783 2.280 -0.552) 2.473 6.000 ( -1.558 2.828 7.916) 8.549 6.157 ( 6.588 -3.014 9.421) 11.884 6.672 ( 6.526 -0.384 -1.300) 6.665 7.020 ( -9.205 2.610 -12.301) 15.584 7.866 ( -3.239 6.641 0.766) 7.429 8.389 ( -5.486 -18.776 -0.902) 19.582 9.017 ( 3.754 0.684 -0.172) 3.819 9.501 ( 9.667 -4.318 7.370) 12.900 10.344 ( 2.446 5.280 13.265) 14.485 11.501 ( -15.814 3.575 -11.442) 19.844 11.706 ( -2.822 27.477 -4.639) 28.008 12.300 ( 6.360 -1.492 -6.773) 9.410 12.590 ( -3.607 8.690 1.232) 9.490 12.814 ( -2.027 -18.058 -1.440) 18.229 13.374 ( -12.637 -0.907 -4.361) 13.399 13.920 ( 8.634 2.629 16.188) 18.534 14.497 ( -3.807 -8.279 -20.535) 22.466 18.014 ( 3.530 -2.338 10.639) 11.451 18.445 ( -0.787 -4.213 -7.282) 8.449 19.598 ( -7.088 -1.410 -4.322) 8.420 19.924 ( -8.883 3.094 -1.772) 9.572 21.676 ( 6.834 8.518 -6.969) 12.955 22.564 ( 7.674 -4.005 16.634) 18.751 23.737 ( -4.088 0.159 -2.532) 4.811 23.861 ( 1.196 0.836 -7.591) 7.730 ======================= Grid point 203 (91/432) ======================= q-point: (-0.18 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -8.853 2.276 -8.229) 12.299 2.906 ( -1.792 -0.795 -1.832) 2.683 3.109 ( 2.471 0.117 5.453) 5.988 3.331 ( 1.446 -1.319 4.295) 4.720 3.473 ( 10.323 -0.057 0.913) 10.364 4.498 ( 9.771 3.265 -6.635) 12.254 4.618 ( 12.533 7.749 10.560) 18.128 5.071 ( -3.130 -1.907 6.976) 7.880 5.120 ( -2.549 -9.338 10.180) 14.048 5.286 ( -9.166 -0.874 9.471) 13.209 5.486 ( -7.620 -2.366 3.113) 8.565 6.079 ( 0.623 -0.331 8.680) 8.709 6.354 ( 0.396 -4.499 6.670) 8.056 6.680 ( -1.775 6.280 -2.566) 7.012 6.800 ( 0.987 1.755 -4.323) 4.769 7.892 ( 4.750 -5.041 3.766) 7.883 8.421 ( -8.763 -14.100 -1.743) 16.693 9.082 ( 4.330 -3.190 0.966) 5.465 9.675 ( 3.572 2.363 3.506) 5.535 10.458 ( 2.953 5.891 8.895) 11.070 11.129 ( -16.759 -1.714 -14.051) 21.937 11.416 ( 0.591 27.157 -1.004) 27.182 12.327 ( 5.857 -0.328 -4.185) 7.206 12.458 ( -6.912 5.747 0.119) 8.990 12.893 ( -2.130 -14.694 -3.014) 15.151 13.259 ( -3.818 0.419 1.895) 4.283 14.101 ( -0.174 1.224 -0.664) 1.404 14.377 ( 4.515 -6.418 -2.649) 8.282 18.091 ( -1.042 1.711 1.885) 2.751 18.533 ( 7.888 -9.854 0.366) 12.627 19.527 ( -3.550 -0.221 1.934) 4.049 19.717 ( -12.606 7.516 -1.864) 14.794 21.597 ( 6.755 6.125 -10.108) 13.614 22.836 ( 3.207 -1.384 13.584) 14.026 23.675 ( -1.191 -0.554 -1.905) 2.314 23.800 ( 2.082 -0.164 -6.267) 6.606 ======================= Grid point 204 (92/432) ======================= q-point: (-0.09 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -9.696 -6.786 -8.532) 14.589 2.745 ( -14.574 -10.934 -8.211) 19.984 3.235 ( 4.093 3.657 4.324) 6.988 3.405 ( 1.752 2.627 5.399) 6.255 3.602 ( 9.675 5.625 2.502) 11.468 4.408 ( 1.955 2.383 -18.057) 18.318 4.771 ( 0.937 4.085 7.035) 8.189 5.048 ( -4.769 1.088 -1.546) 5.130 5.214 ( 2.079 5.822 2.746) 6.764 5.290 ( -6.451 -3.767 8.103) 11.021 5.485 ( -11.821 -6.289 12.760) 18.496 6.101 ( -6.445 1.860 -6.624) 9.428 6.368 ( -2.605 -9.598 3.818) 10.653 6.667 ( -3.210 5.732 8.874) 11.041 6.863 ( 4.605 2.335 11.155) 12.292 8.129 ( 9.256 -12.153 5.767) 16.329 8.356 ( -9.840 -6.650 -2.970) 12.242 9.202 ( 3.981 -5.939 2.372) 7.532 9.621 ( -2.091 10.388 -1.784) 10.745 10.489 ( -4.713 4.621 -0.714) 6.639 10.827 ( -9.587 -8.555 -9.365) 15.899 11.283 ( 8.463 20.376 2.700) 22.228 12.313 ( -5.499 -0.467 1.048) 5.617 12.394 ( 0.961 -1.607 -0.930) 2.091 12.973 ( 3.417 -9.532 -0.735) 10.153 13.270 ( 0.305 2.944 4.752) 5.598 13.940 ( -6.713 -4.727 -14.811) 16.934 14.595 ( 11.139 2.325 12.456) 16.871 18.056 ( -0.577 2.585 -2.764) 3.828 18.740 ( 11.148 -9.473 -1.739) 14.732 19.397 ( -17.212 12.194 2.709) 21.267 19.585 ( 4.322 1.318 0.942) 4.616 21.537 ( 5.680 -0.117 -9.516) 11.083 22.967 ( -1.935 4.109 8.919) 10.009 23.681 ( 1.719 -1.049 1.216) 2.352 23.775 ( 1.641 -2.711 -4.052) 5.144 ======================= Grid point 212 (93/432) ======================= q-point: (-0.36 0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -9.427 -0.000 -7.072) 11.785 2.746 ( 15.514 0.000 9.818) 18.360 3.192 ( 6.398 0.000 8.100) 10.322 3.199 ( 5.362 0.000 -0.912) 5.439 3.252 ( -6.267 -0.000 0.161) 6.269 4.409 ( 17.492 0.000 -0.599) 17.502 4.532 ( 7.562 0.000 15.165) 16.945 4.739 ( 5.442 0.000 6.555) 8.520 4.881 ( -1.452 -0.000 12.446) 12.530 5.243 ( -7.693 -0.000 15.770) 17.547 5.548 ( 0.320 0.000 -0.948) 1.001 6.028 ( -2.481 -0.000 8.076) 8.449 6.128 ( 6.393 0.000 9.214) 11.215 6.667 ( 9.005 0.000 -1.990) 9.222 7.044 ( -8.899 -0.000 -12.298) 15.180 7.976 ( -16.460 -0.000 1.292) 16.510 8.172 ( 5.364 0.000 -0.787) 5.421 9.027 ( 3.028 0.000 -1.400) 3.336 9.461 ( 11.227 0.000 8.890) 14.321 10.390 ( 2.522 0.000 13.497) 13.731 11.509 ( -20.109 -0.000 -10.382) 22.631 12.107 ( 3.668 0.000 -6.718) 7.654 12.209 ( 4.360 0.000 -13.118) 13.823 12.595 ( -2.747 -0.000 4.608) 5.365 12.670 ( -5.654 -0.000 1.740) 5.916 13.364 ( -12.694 -0.000 -4.291) 13.400 13.942 ( 8.943 0.000 16.792) 19.025 14.422 ( -3.637 -0.000 -20.970) 21.283 17.995 ( 5.411 0.000 11.966) 13.132 18.409 ( -2.524 -0.000 -8.195) 8.575 19.586 ( -5.803 -0.000 -5.380) 7.913 19.948 ( -8.181 -0.000 -1.410) 8.302 21.759 ( 7.153 0.000 -8.668) 11.238 22.522 ( 5.923 0.000 19.932) 20.794 23.735 ( -5.832 -0.000 -1.479) 6.017 23.871 ( 2.716 0.000 -9.409) 9.793 ======================= Grid point 214 (94/432) ======================= q-point: (-0.27 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -12.573 0.239 -13.138) 18.186 2.872 ( -12.392 -1.886 -7.456) 14.584 3.125 ( 7.052 0.958 9.399) 11.790 3.350 ( 6.215 2.494 6.604) 9.406 3.459 ( 14.676 -1.638 2.422) 14.965 4.557 ( 15.317 3.049 -11.110) 19.166 4.731 ( 4.195 5.815 6.880) 9.937 4.904 ( -2.760 -11.210 19.512) 22.671 5.077 ( 1.788 0.314 13.547) 13.668 5.265 ( -11.825 -1.130 9.237) 15.048 5.485 ( -5.557 0.619 -1.736) 5.855 6.081 ( -1.314 0.304 5.789) 5.944 6.302 ( 0.551 -1.633 7.738) 7.927 6.765 ( 6.953 3.345 -1.657) 7.892 6.821 ( -0.696 0.348 -7.247) 7.289 7.811 ( -12.868 -3.260 4.790) 14.112 8.247 ( 2.470 -5.604 -1.523) 6.311 9.053 ( 3.840 -0.676 -1.539) 4.192 9.694 ( 8.416 0.332 7.055) 10.987 10.540 ( 2.268 2.990 9.304) 10.032 11.091 ( -22.264 -1.498 -13.943) 26.312 11.905 ( 3.891 27.843 -6.432) 28.840 12.256 ( 6.772 -11.032 -6.754) 14.600 12.521 ( -14.285 1.938 -1.564) 14.500 12.652 ( -3.310 -10.734 2.954) 11.615 13.266 ( -1.572 0.421 2.320) 2.834 14.087 ( -4.781 -1.661 -12.692) 13.664 14.314 ( 10.009 -1.284 9.583) 13.916 18.131 ( 1.379 2.192 4.030) 4.790 18.401 ( 5.203 -4.955 0.324) 7.193 19.524 ( 0.221 -0.001 0.664) 0.700 19.796 ( -12.751 2.130 0.034) 12.928 21.699 ( 7.175 4.261 -13.903) 16.215 22.803 ( 0.662 -1.671 19.610) 19.692 23.644 ( -6.312 -1.489 -0.951) 6.555 23.818 ( 6.651 1.020 -9.611) 11.733 ======================= Grid point 215 (95/432) ======================= q-point: (-0.18 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -14.634 -4.582 -13.453) 20.400 2.571 ( -21.231 -8.690 -9.424) 24.801 3.307 ( 6.661 4.211 5.522) 9.622 3.460 ( 4.085 3.872 5.593) 7.935 3.671 ( 12.884 1.965 2.569) 13.284 4.458 ( 1.939 3.542 -21.362) 21.740 4.788 ( -1.515 -2.318 2.253) 3.569 5.087 ( -10.595 1.768 -0.152) 10.742 5.187 ( -3.328 -3.155 21.647) 22.128 5.286 ( -1.043 0.922 9.425) 9.527 5.420 ( -4.993 -1.842 5.353) 7.549 6.119 ( -1.666 0.064 -1.109) 2.002 6.252 ( -7.037 -3.944 -3.829) 8.929 6.781 ( 0.785 7.384 7.859) 10.812 6.904 ( 6.506 1.922 8.433) 10.823 7.840 ( -7.906 -17.745 7.123) 20.691 8.286 ( 3.478 -2.475 -3.516) 5.530 9.116 ( 5.046 -3.648 -0.294) 6.233 9.784 ( 1.739 7.396 1.665) 7.778 10.567 ( -11.113 4.367 -4.514) 12.765 10.732 ( -5.531 -3.816 -3.685) 7.664 11.673 ( 5.702 24.487 -5.178) 25.670 12.296 ( -16.799 -1.408 0.290) 16.860 12.351 ( 5.348 -3.352 -2.450) 6.771 12.770 ( 0.695 -14.068 3.420) 14.495 13.315 ( 3.327 2.535 4.688) 6.283 13.855 ( -5.905 -4.699 -16.720) 18.344 14.623 ( 12.084 1.033 15.209) 19.453 18.113 ( 0.411 3.707 -3.483) 5.103 18.589 ( 10.423 -7.692 3.288) 13.364 19.553 ( -10.881 5.969 4.445) 13.183 19.612 ( -0.406 1.683 0.827) 1.919 21.577 ( 6.410 3.796 -15.398) 17.105 23.006 ( -3.344 0.884 16.937) 17.286 23.590 ( -6.418 -5.757 1.574) 8.765 23.801 ( 8.685 2.418 -8.234) 12.209 ======================= Grid point 216 (96/432) ======================= q-point: (-0.09 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -15.176 -12.053 -10.901) 22.236 2.294 ( -22.064 -16.653 -6.648) 28.431 3.352 ( 3.039 7.440 1.375) 8.153 3.513 ( 1.367 4.619 2.631) 5.489 3.790 ( 4.862 5.013 1.764) 7.203 4.077 ( -13.940 -1.533 -26.629) 30.096 4.761 ( -10.111 0.156 4.039) 10.889 4.892 ( -9.264 -1.324 -7.360) 11.906 5.328 ( 1.933 2.862 7.904) 8.626 5.410 ( 2.671 4.496 11.076) 12.249 5.482 ( -4.473 -1.819 9.002) 10.215 5.909 ( -8.353 3.589 -9.911) 13.449 6.343 ( 2.779 -10.916 5.412) 12.496 6.733 ( -8.764 10.013 6.569) 14.840 7.131 ( 2.586 2.320 19.752) 20.056 7.967 ( -14.314 -19.336 7.176) 25.105 8.353 ( 13.519 -4.937 -5.721) 15.487 9.239 ( 5.747 -5.767 1.712) 8.320 9.682 ( -0.948 13.533 -2.044) 13.719 10.206 ( -17.903 -1.725 -12.342) 21.813 10.795 ( 4.465 3.644 3.544) 6.766 11.542 ( 8.132 14.478 -4.287) 17.150 12.151 ( -14.961 -7.736 4.587) 17.456 12.386 ( 1.262 -1.588 -1.588) 2.577 12.989 ( 5.923 -12.866 6.744) 15.687 13.396 ( 4.819 4.481 4.783) 8.135 13.632 ( -6.201 -4.213 -14.887) 16.668 14.945 ( 13.539 3.296 14.330) 19.988 18.005 ( 1.474 3.298 -12.579) 13.087 18.850 ( 14.272 -5.180 3.803) 15.652 19.296 ( -15.972 9.496 1.579) 18.648 19.719 ( 7.212 2.061 5.014) 9.022 21.466 ( 4.706 -0.802 -13.746) 14.551 23.062 ( -7.936 7.564 10.508) 15.186 23.632 ( -4.871 -10.799 6.528) 13.526 23.812 ( 7.854 3.301 -4.182) 9.490 ======================= Grid point 225 (97/432) ======================= q-point: (-0.27 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -16.512 -0.000 -14.862) 22.215 2.491 ( -23.669 -0.000 -10.120) 25.742 3.347 ( 8.145 0.000 6.141) 10.200 3.505 ( 3.294 0.000 6.554) 7.336 3.678 ( 14.593 0.000 1.587) 14.679 4.501 ( 3.707 0.000 -25.797) 26.062 4.748 ( -4.510 -0.000 3.762) 5.874 5.067 ( -9.210 -0.000 3.673) 9.916 5.233 ( -9.485 -0.000 26.821) 28.448 5.255 ( 1.293 0.000 11.691) 11.762 5.408 ( -1.377 -0.000 -0.732) 1.560 6.115 ( 0.996 0.000 1.768) 2.029 6.224 ( -9.662 -0.000 -7.578) 12.279 6.868 ( 4.062 0.000 12.399) 13.047 6.913 ( 8.546 0.000 1.282) 8.641 7.666 ( -15.393 -0.000 8.139) 17.413 8.265 ( 5.659 0.000 -3.064) 6.435 9.086 ( 5.013 0.000 -1.785) 5.321 9.848 ( 4.331 0.000 3.459) 5.542 10.616 ( -23.073 -0.000 -14.400) 27.198 10.691 ( 5.381 0.000 6.998) 8.828 11.960 ( 2.854 0.000 -16.927) 17.166 12.264 ( 8.964 0.000 2.565) 9.323 12.305 ( -17.607 -0.000 1.040) 17.638 12.610 ( -4.382 -0.000 7.111) 8.352 13.341 ( 4.457 0.000 4.718) 6.490 13.810 ( -4.832 -0.000 -17.505) 18.160 14.631 ( 12.042 0.000 16.069) 20.080 18.152 ( 0.625 0.000 -4.931) 4.971 18.516 ( 10.051 0.000 6.199) 11.809 19.602 ( 5.502 0.000 4.866) 7.345 19.627 ( -15.562 -0.000 1.129) 15.603 21.618 ( 6.699 0.000 -18.240) 19.431 23.010 ( -4.160 -0.000 21.374) 21.775 23.538 ( -7.364 -0.000 -0.273) 7.369 23.823 ( 9.220 0.000 -8.589) 12.601 ======================= Grid point 226 (98/432) ======================= q-point: (-0.18 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -19.321 -4.498 -10.704) 22.542 2.074 ( -26.847 -7.745 -9.031) 29.365 3.462 ( 5.215 4.273 2.191) 7.089 3.580 ( 0.270 2.767 4.344) 5.158 3.830 ( 5.791 0.286 0.447) 5.815 4.068 ( -16.562 0.085 -31.180) 35.305 4.741 ( -5.609 -1.355 3.982) 7.011 4.868 ( -13.001 -1.284 -5.947) 14.354 5.375 ( -0.037 3.462 12.445) 12.917 5.443 ( -8.402 -2.458 18.320) 20.304 5.473 ( 8.551 1.611 3.047) 9.219 5.973 ( -8.519 3.155 -8.859) 12.689 6.196 ( 4.319 -5.650 2.556) 7.557 6.937 ( -2.210 13.124 6.408) 14.771 7.126 ( 0.902 -4.413 18.556) 19.095 7.648 ( -11.662 -13.668 8.307) 19.795 8.303 ( 7.520 -1.415 -5.788) 9.594 9.153 ( 6.196 -3.098 -0.969) 6.995 9.870 ( 0.594 6.687 -0.086) 6.714 10.187 ( -18.370 -0.506 -11.933) 21.911 10.853 ( 7.923 2.020 6.177) 10.247 11.759 ( 4.100 7.472 -15.983) 18.114 12.100 ( -18.220 2.625 7.111) 19.733 12.363 ( 2.382 -1.204 -1.744) 3.188 12.749 ( 0.707 -12.072 11.459) 16.660 13.457 ( 5.874 2.395 4.303) 7.665 13.575 ( -3.723 -2.244 -15.000) 15.617 14.978 ( 13.640 0.912 15.404) 20.595 18.050 ( 2.695 1.603 -14.649) 14.981 18.776 ( 13.422 -2.687 8.947) 16.353 19.416 ( -16.290 3.898 1.218) 16.794 19.747 ( 6.955 1.016 5.727) 9.067 21.473 ( 5.298 0.778 -18.566) 19.323 23.170 ( -6.675 4.703 19.201) 20.865 23.472 ( -7.097 -6.783 2.597) 10.155 23.852 ( 8.000 1.301 -4.864) 9.453 ======================= Grid point 227 (99/432) ======================= q-point: (-0.09 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -20.878 -10.428 -4.584) 23.784 1.764 ( -25.588 -20.108 -3.937) 32.781 3.349 ( -23.797 0.350 -28.453) 37.094 3.509 ( 0.298 5.177 -0.767) 5.242 3.598 ( -6.098 2.217 1.871) 6.753 3.829 ( -3.982 1.332 -1.246) 4.380 4.680 ( -6.484 -2.129 -6.801) 9.634 4.697 ( -7.098 1.650 3.113) 7.924 5.434 ( -10.815 1.673 6.668) 12.815 5.529 ( 3.563 2.228 7.027) 8.188 5.574 ( 7.522 0.664 -0.437) 7.564 5.808 ( -5.276 6.657 3.105) 9.044 6.378 ( 5.775 -8.721 5.418) 11.780 6.785 ( -12.278 17.707 6.898) 22.624 7.372 ( -3.699 -1.065 21.013) 21.363 7.714 ( -12.765 -17.816 6.344) 22.816 8.381 ( 10.957 -8.360 -6.893) 15.409 9.292 ( 7.776 -7.825 1.921) 11.197 9.763 ( -0.760 14.009 -3.040) 14.355 9.889 ( -9.932 0.403 -7.525) 12.467 10.959 ( 4.276 9.412 4.272) 11.185 11.603 ( 5.518 3.215 -13.761) 15.170 11.980 ( -17.870 -3.272 12.935) 22.301 12.362 ( 0.276 -1.727 -1.270) 2.162 13.036 ( 2.379 -16.690 12.625) 21.062 13.371 ( -2.117 -1.014 -13.522) 13.724 13.572 ( 5.873 3.051 4.163) 7.819 15.316 ( 14.734 2.756 13.013) 19.850 17.850 ( 5.099 3.037 -26.397) 27.056 19.087 ( 12.819 -3.943 8.370) 15.809 19.188 ( -11.259 7.224 1.519) 13.464 19.888 ( 6.722 1.255 4.989) 8.465 21.333 ( 3.400 -1.784 -15.767) 16.228 23.135 ( -11.643 13.153 8.964) 19.721 23.579 ( -1.974 -12.370 9.819) 15.917 23.900 ( 3.021 1.605 3.611) 4.975 ======================= Grid point 237 (100/432) ======================= q-point: (-0.18 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -23.892 -0.000 0.024) 23.892 1.569 ( -29.557 -0.000 -7.216) 30.425 3.349 ( -30.533 -0.000 -34.840) 46.326 3.566 ( 4.491 0.000 1.626) 4.776 3.622 ( -6.053 -0.000 5.128) 7.933 3.834 ( -3.247 -0.000 -2.037) 3.833 4.658 ( -6.834 -0.000 -5.266) 8.627 4.709 ( -5.129 -0.000 2.305) 5.623 5.451 ( -13.213 -0.000 6.047) 14.531 5.547 ( 4.738 0.000 8.313) 9.569 5.575 ( 6.601 0.000 -0.318) 6.609 5.879 ( -5.092 -0.000 5.313) 7.359 6.293 ( 8.224 0.000 3.855) 9.083 7.076 ( 2.520 0.000 0.361) 2.546 7.219 ( -18.586 -0.000 28.163) 33.743 7.552 ( -8.811 -0.000 6.661) 11.046 8.314 ( 7.398 0.000 -7.029) 10.205 9.215 ( 6.943 0.000 0.273) 6.948 9.896 ( -8.552 -0.000 -7.279) 11.230 9.896 ( -0.345 -0.000 -1.344) 1.387 11.040 ( 8.249 0.000 5.112) 9.704 11.614 ( 2.181 0.000 -16.938) 17.078 12.007 ( -18.151 -0.000 14.584) 23.285 12.346 ( -0.024 -0.000 -2.010) 2.010 12.851 ( 0.052 0.000 12.933) 12.933 13.363 ( -2.171 -0.000 -13.234) 13.411 13.598 ( 6.036 0.000 3.985) 7.233 15.338 ( 14.733 0.000 13.503) 19.984 17.876 ( 6.847 0.000 -27.577) 28.414 19.051 ( 9.698 0.000 9.904) 13.862 19.254 ( -10.189 -0.000 1.214) 10.261 19.900 ( 5.921 0.000 4.836) 7.645 21.320 ( 3.972 0.000 -17.759) 18.198 23.346 ( -8.161 -0.000 0.935) 8.214 23.372 ( -5.181 -0.000 22.222) 22.818 23.915 ( 3.131 0.000 2.481) 3.995 ======================= Grid point 238 (101/432) ======================= q-point: (-0.09 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -27.672 -1.120 9.399) 29.246 1.221 ( -28.008 -20.498 0.896) 34.719 2.487 ( -42.767 -4.124 -31.390) 53.210 3.587 ( -5.177 3.278 4.360) 7.520 3.632 ( 3.516 3.242 2.878) 5.582 3.728 ( -7.867 -0.328 -2.395) 8.230 4.570 ( -1.514 0.969 -1.956) 2.657 4.649 ( -5.084 0.317 -0.021) 5.094 5.318 ( -10.090 -0.263 2.495) 10.397 5.650 ( 2.229 0.561 2.258) 3.222 5.697 ( 5.171 1.201 6.682) 8.534 5.855 ( -4.760 5.137 2.466) 7.424 6.476 ( 8.258 -3.825 4.725) 10.254 6.902 ( -11.335 29.208 7.327) 32.175 7.464 ( -11.471 -21.505 6.291) 25.172 7.501 ( -10.735 -4.926 22.382) 25.307 8.367 ( 8.718 -7.236 -5.127) 12.435 9.363 ( 7.827 -6.645 3.912) 10.988 9.766 ( 0.681 4.481 -6.475) 7.904 9.824 ( -2.011 7.247 -1.847) 7.744 11.145 ( 4.592 9.397 3.018) 10.886 11.467 ( 3.260 -3.151 -16.785) 17.387 11.960 ( -20.988 8.822 25.690) 34.327 12.350 ( 1.540 -2.497 0.594) 2.993 13.050 ( -1.327 -14.466 11.363) 18.444 13.213 ( 0.774 -4.902 -9.529) 10.744 13.706 ( 5.176 1.307 2.835) 6.045 15.655 ( 13.965 1.399 9.398) 16.891 17.566 ( 7.857 2.329 -42.123) 42.912 19.029 ( -10.689 -1.105 -0.100) 10.746 19.401 ( 13.444 0.507 8.636) 15.987 20.014 ( 4.197 -0.383 3.654) 5.578 21.184 ( 3.129 -1.087 -14.180) 14.562 23.181 ( -11.413 14.616 4.406) 19.060 23.619 ( 2.474 -8.754 12.281) 15.283 24.017 ( -5.359 -0.261 20.212) 20.912 ======================= Grid point 249 (102/432) ======================= q-point: (-0.09 -0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -29.604 -0.000 4.702) 29.975 0.789 ( -32.011 -0.000 25.106) 40.682 1.523 ( -52.959 -0.000 -19.548) 56.451 3.588 ( -7.895 -0.000 -2.081) 8.165 3.598 ( -3.365 -0.000 4.142) 5.337 3.732 ( 2.921 0.000 4.006) 4.958 4.566 ( -4.048 -0.000 -2.981) 5.027 4.594 ( -1.148 -0.000 7.313) 7.403 5.317 ( -1.611 -0.000 12.563) 12.666 5.662 ( -4.827 -0.000 -1.829) 5.162 5.792 ( -2.822 -0.000 -4.740) 5.517 5.817 ( 2.917 0.000 3.318) 4.418 6.616 ( 8.126 0.000 2.453) 8.488 7.099 ( 0.918 0.000 -1.051) 1.395 7.225 ( -13.641 -0.000 5.848) 14.842 7.642 ( -12.518 -0.000 42.228) 44.044 8.388 ( 7.213 0.000 -2.549) 7.650 9.468 ( 5.315 0.000 3.181) 6.195 9.760 ( 6.823 0.000 -8.132) 10.615 9.801 ( -2.703 -0.000 -1.501) 3.092 11.253 ( 0.765 0.000 -25.250) 25.261 11.268 ( 3.541 0.000 0.841) 3.640 12.268 ( -11.562 -0.000 49.135) 50.477 12.370 ( 3.256 0.000 0.475) 3.290 13.049 ( -2.614 -0.000 7.461) 7.905 13.052 ( -1.692 -0.000 -9.518) 9.668 13.793 ( 3.494 0.000 1.403) 3.765 15.897 ( 10.296 0.000 3.387) 10.839 17.119 ( -0.278 -0.000 -38.733) 38.734 18.878 ( -7.865 -0.000 -2.418) 8.228 19.646 ( 9.558 0.000 6.774) 11.715 20.083 ( 1.642 0.000 2.550) 3.033 21.081 ( 4.169 0.000 -11.053) 11.813 23.169 ( -7.699 -0.000 2.692) 8.156 23.746 ( 7.280 0.000 1.878) 7.518 24.324 ( -5.868 -0.000 49.965) 50.309 ======================= Grid point 250 (103/432) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -6.891 -0.000 27.606) 28.453 1.371 ( 11.090 0.000 28.953) 31.004 2.302 ( -8.241 -0.000 47.397) 48.108 3.397 ( -0.012 -0.000 -3.417) 3.417 3.730 ( 0.668 0.000 5.854) 5.892 3.942 ( -2.420 -0.000 3.384) 4.160 4.399 ( 4.386 0.000 -2.516) 5.056 4.944 ( 3.625 0.000 -10.734) 11.329 5.248 ( 3.156 0.000 11.264) 11.698 5.574 ( -3.083 -0.000 -9.738) 10.214 5.848 ( -8.815 -0.000 14.957) 17.361 6.167 ( -11.757 -0.000 12.593) 17.228 6.765 ( 0.221 0.000 2.538) 2.548 6.971 ( -2.637 -0.000 -8.361) 8.767 7.146 ( -23.533 -0.000 1.812) 23.603 7.437 ( -10.762 -0.000 20.530) 23.180 8.688 ( 3.868 0.000 10.897) 11.564 9.272 ( -0.191 -0.000 -7.044) 7.047 9.733 ( -7.276 -0.000 -5.028) 8.844 9.928 ( 0.684 0.000 4.180) 4.236 10.356 ( 18.081 0.000 8.004) 19.773 11.219 ( -0.134 -0.000 -4.965) 4.967 12.210 ( -1.689 -0.000 -10.261) 10.399 12.359 ( -5.007 -0.000 14.002) 14.870 12.688 ( -0.316 -0.000 -6.607) 6.614 13.328 ( 4.565 0.000 5.487) 7.137 13.750 ( -0.871 -0.000 -4.070) 4.162 15.610 ( -2.279 -0.000 -19.333) 19.466 18.605 ( 5.630 0.000 -6.677) 8.734 19.526 ( 15.888 0.000 -1.599) 15.968 19.741 ( -13.045 -0.000 -4.202) 13.705 19.881 ( 6.028 0.000 -10.111) 11.771 21.025 ( 19.592 0.000 -0.111) 19.593 23.005 ( -52.356 -0.000 -5.219) 52.616 23.261 ( -5.489 -0.000 7.035) 8.923 23.853 ( 4.776 0.000 -1.156) 4.914 ======================= Grid point 251 (104/432) ======================= q-point: ( 0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.650 -6.825 27.513) 28.395 1.786 ( 4.699 -4.686 24.576) 25.456 2.870 ( 12.577 -4.797 35.551) 38.014 3.361 ( 2.932 1.907 -4.830) 5.963 3.793 ( -0.874 0.948 6.404) 6.533 3.919 ( -2.404 2.313 -0.224) 3.344 4.415 ( 3.717 4.640 -2.122) 6.313 4.837 ( -0.642 -4.166 -12.822) 13.497 5.389 ( -1.269 0.445 6.921) 7.050 5.444 ( -1.906 -0.029 -5.051) 5.398 5.899 ( -15.744 0.941 24.542) 29.173 6.129 ( -11.773 2.535 16.929) 20.776 6.681 ( -7.846 12.291 1.994) 14.718 6.831 ( 2.516 4.983 0.233) 5.587 7.089 ( -6.574 -7.216 -1.739) 9.916 7.582 ( -9.686 -4.163 21.850) 24.261 8.848 ( -0.243 -0.303 10.984) 10.991 9.284 ( 3.498 -7.558 0.218) 8.331 9.596 ( -1.901 -0.255 -6.493) 6.770 9.943 ( -1.265 3.118 1.082) 3.534 10.658 ( 21.198 15.580 4.706) 26.725 11.233 ( 0.459 -20.387 -4.698) 20.926 12.091 ( 2.499 -0.352 -10.728) 11.021 12.393 ( -4.141 13.860 8.329) 16.692 12.686 ( -1.576 -16.585 -1.325) 16.712 13.478 ( 7.142 -1.164 5.586) 9.142 13.675 ( -2.782 0.278 -4.314) 5.141 15.299 ( -6.400 3.144 -21.329) 22.490 18.616 ( 10.051 5.351 -4.526) 12.253 19.196 ( -22.948 13.485 -10.691) 28.683 19.541 ( -15.854 -12.516 -6.647) 21.265 19.976 ( 6.337 -1.606 -6.603) 9.291 21.306 ( 18.671 4.339 7.158) 20.461 22.497 ( -14.356 6.707 -1.031) 15.879 23.321 ( -5.355 -10.218 2.914) 11.899 23.908 ( 4.807 -0.142 -0.624) 4.849 ======================= Grid point 252 (105/432) ======================= q-point: ( 0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 6.355 -6.021 23.927) 25.478 2.185 ( 6.437 -10.083 21.677) 24.758 3.291 ( 3.839 4.694 -1.893) 6.353 3.411 ( 9.678 -5.565 10.633) 15.417 3.777 ( -0.002 8.009 -6.289) 10.184 3.937 ( 3.344 -1.409 10.668) 11.268 4.352 ( 1.516 6.182 -5.072) 8.139 4.758 ( -0.420 -11.063 -9.794) 14.781 5.361 ( -6.830 0.985 4.754) 8.380 5.423 ( -7.146 -0.937 7.920) 10.709 6.001 ( -7.848 -0.120 15.151) 17.064 6.254 ( -4.318 4.861 27.073) 27.843 6.515 ( -7.426 3.537 -1.429) 8.348 6.833 ( 0.703 4.760 2.561) 5.451 7.005 ( -6.170 3.288 -0.181) 6.994 7.727 ( -8.568 -1.537 19.612) 21.457 8.927 ( -5.457 -2.355 6.662) 8.928 9.369 ( -2.713 -0.757 1.548) 3.214 9.635 ( 8.409 -7.503 0.181) 11.271 9.903 ( 1.622 3.085 1.437) 3.770 10.721 ( 8.521 15.473 -1.183) 17.704 11.458 ( 7.206 -21.743 -0.207) 22.907 12.010 ( 3.334 3.263 -10.815) 11.778 12.258 ( -1.704 9.468 -2.018) 9.829 12.858 ( -1.339 -17.528 6.437) 18.721 13.549 ( -3.450 3.551 -3.596) 6.119 13.676 ( 7.180 -3.138 5.127) 9.364 14.925 ( -7.906 4.775 -20.149) 22.165 18.641 ( -5.263 12.743 -1.311) 13.849 18.711 ( -0.798 6.236 -12.148) 13.678 19.372 ( -16.819 -16.669 -6.194) 24.476 19.889 ( -7.670 1.172 -4.999) 9.230 21.560 ( 13.537 10.739 9.220) 19.585 22.406 ( 5.253 -4.366 -5.476) 8.754 23.358 ( -2.498 -7.072 0.433) 7.513 23.958 ( 3.801 0.798 -0.257) 3.892 ======================= Grid point 253 (106/432) ======================= q-point: ( 0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.044 -1.409 17.915) 18.665 2.612 ( 8.515 -12.103 17.712) 23.081 3.219 ( 2.319 6.507 -5.411) 8.775 3.543 ( -3.935 -2.647 0.132) 4.744 3.593 ( -0.916 8.779 -8.922) 12.550 4.146 ( 12.816 2.194 -5.675) 14.187 4.347 ( 5.564 -4.349 6.129) 9.351 4.774 ( 0.347 -13.737 -5.735) 14.890 5.318 ( -8.311 1.462 5.289) 9.959 5.455 ( -8.576 -1.590 12.457) 15.207 6.006 ( -9.688 1.135 6.995) 12.003 6.311 ( -9.878 1.207 -2.191) 10.190 6.573 ( -1.548 0.647 25.453) 25.508 6.828 ( -0.416 6.172 4.804) 7.832 6.908 ( -5.979 8.756 7.722) 13.117 7.855 ( -1.586 -0.384 13.368) 13.468 8.890 ( -13.866 -5.811 2.798) 15.293 9.336 ( -3.740 1.208 2.343) 4.576 9.663 ( 0.862 8.144 -2.269) 8.498 10.147 ( 15.139 -9.309 9.724) 20.258 10.673 ( 2.297 3.646 -2.517) 4.991 11.579 ( -4.192 5.427 -7.538) 10.191 11.941 ( 9.136 -5.872 -2.264) 11.094 12.234 ( 7.510 0.980 -3.012) 8.150 13.050 ( -2.620 -14.942 6.616) 16.550 13.396 ( -6.666 6.476 -3.303) 9.863 13.873 ( 8.619 -4.607 3.077) 10.246 14.583 ( -5.828 4.530 -14.499) 16.270 18.287 ( -11.632 8.389 -6.948) 15.936 18.741 ( 11.199 4.550 -6.500) 13.725 19.259 ( -11.673 -15.798 -3.778) 20.003 19.694 ( -11.638 1.047 -3.121) 12.095 21.655 ( 7.587 15.290 2.624) 17.269 22.542 ( 10.110 -11.918 -2.045) 15.762 23.398 ( 1.731 -4.931 -0.929) 5.308 23.982 ( 2.107 2.713 0.265) 3.445 ======================= Grid point 254 (107/432) ======================= q-point: ( 0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -3.056 6.004 8.954) 11.205 2.923 ( 2.646 -1.991 5.533) 6.448 3.183 ( 3.119 -0.031 1.141) 3.321 3.425 ( 2.468 2.294 -6.446) 7.274 3.478 ( -8.179 -0.970 0.018) 8.237 4.132 ( 10.368 1.908 -15.322) 18.599 4.586 ( 8.714 -8.591 2.456) 12.482 4.871 ( 1.319 -13.791 0.725) 13.873 5.218 ( -11.824 1.646 2.027) 12.109 5.481 ( -9.757 -1.208 9.188) 13.457 5.916 ( -12.918 2.403 6.460) 14.642 6.106 ( -10.786 -1.143 -8.129) 13.554 6.740 ( -4.440 0.562 8.077) 9.234 6.811 ( -3.619 12.548 9.751) 16.298 7.007 ( -2.502 3.146 29.121) 29.397 8.009 ( 8.978 -0.867 3.460) 9.661 8.747 ( -20.888 -5.372 4.814) 22.099 9.308 ( -5.114 -0.759 2.849) 5.903 9.577 ( 2.606 10.512 -1.755) 10.972 10.410 ( 1.497 -2.576 -0.195) 2.986 10.781 ( 10.991 -11.010 5.494) 16.499 11.242 ( -6.711 19.340 -10.851) 23.169 12.187 ( 12.623 -5.677 2.958) 14.153 12.323 ( 8.239 -2.343 0.062) 8.566 13.176 ( -5.221 -7.371 3.086) 9.545 13.219 ( -4.037 6.119 0.343) 7.339 13.938 ( -0.778 -1.482 -9.936) 10.076 14.472 ( 5.841 -2.054 1.581) 6.390 18.054 ( -6.220 2.128 -7.243) 9.781 18.732 ( 5.549 1.422 -7.907) 9.764 19.255 ( -5.322 -10.857 1.273) 12.158 19.543 ( -6.037 -1.474 -1.383) 6.367 21.592 ( 5.361 14.429 -5.177) 16.240 22.765 ( 4.887 -13.460 3.153) 14.663 23.471 ( 6.735 -3.296 -1.755) 7.701 23.974 ( 0.238 5.067 1.567) 5.309 ======================= Grid point 255 (108/432) ======================= q-point: (-0.55 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -12.660 12.943 1.802) 18.195 2.840 ( -10.602 9.528 -0.672) 14.270 3.206 ( 0.497 -1.113 -1.743) 2.127 3.418 ( -1.577 -3.207 -1.118) 3.745 3.540 ( 5.200 -10.177 2.760) 11.757 4.029 ( 4.865 4.827 -15.224) 16.695 4.738 ( 3.164 -8.264 -2.235) 9.127 4.962 ( -8.174 -1.739 -3.252) 8.968 5.104 ( -4.677 -11.325 3.962) 12.877 5.439 ( -7.729 -0.647 4.339) 8.888 5.797 ( -13.990 1.199 5.914) 15.236 5.900 ( -9.019 -0.401 -4.779) 10.215 6.709 ( -5.841 5.554 5.012) 9.491 6.798 ( -3.658 6.738 9.219) 11.990 7.315 ( -5.732 -1.130 32.032) 32.561 8.142 ( 12.563 -0.659 -8.200) 15.017 8.588 ( -19.611 -0.380 11.169) 22.571 9.283 ( -6.069 -2.841 3.149) 7.404 9.527 ( 4.427 7.183 -1.668) 8.601 10.286 ( -13.476 -5.151 -9.910) 17.503 10.927 ( 2.554 20.556 -4.117) 21.119 11.139 ( 12.813 -8.828 6.354) 16.807 12.324 ( 7.024 0.741 -2.919) 7.642 12.492 ( 2.797 0.951 9.433) 9.885 13.090 ( 3.294 6.568 0.043) 7.348 13.289 ( -0.837 -7.218 4.402) 8.496 13.724 ( -7.429 2.627 -12.027) 14.379 14.715 ( 13.108 -8.007 6.552) 16.699 17.865 ( -5.521 -1.317 -13.790) 14.913 18.754 ( 7.093 -2.195 -0.428) 7.438 19.270 ( -9.171 -6.506 3.908) 11.904 19.567 ( 7.284 -3.773 -0.281) 8.208 21.454 ( 5.184 12.013 -10.809) 16.971 22.935 ( -4.026 -13.592 4.978) 15.024 23.585 ( 10.534 -1.549 -2.224) 10.877 23.955 ( -0.837 6.461 5.352) 8.431 ======================= Grid point 256 (109/432) ======================= q-point: (-0.45 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -18.982 14.647 3.531) 24.235 2.529 ( -18.057 15.221 -1.397) 23.658 3.240 ( 1.305 -5.185 -0.124) 5.348 3.406 ( -3.115 -3.381 -5.039) 6.821 3.606 ( -2.735 -4.445 -7.698) 9.300 3.871 ( -4.605 3.713 -1.249) 6.046 4.737 ( -10.654 -3.915 -3.260) 11.810 4.750 ( -6.287 -1.593 -5.432) 8.460 5.275 ( 3.364 -12.990 3.234) 13.803 5.451 ( 0.475 -4.281 2.923) 5.206 5.660 ( -12.764 0.599 2.197) 12.966 5.790 ( -6.799 -1.532 1.669) 7.167 6.641 ( -5.066 3.947 2.740) 6.982 6.793 ( -7.402 3.544 9.475) 12.535 7.584 ( -10.229 -4.031 27.383) 29.508 8.131 ( 0.385 -0.316 -7.311) 7.328 8.525 ( -2.472 8.251 6.823) 10.989 9.286 ( -5.693 -7.634 3.775) 10.245 9.528 ( 5.919 4.357 -2.019) 7.622 10.003 ( -13.040 -0.052 -8.749) 15.703 10.814 ( 2.176 8.158 -1.317) 8.545 11.398 ( 10.180 -2.462 2.833) 10.849 12.327 ( 1.810 2.872 -3.675) 5.003 12.519 ( -7.522 9.639 11.351) 16.683 13.177 ( 12.626 2.415 -3.399) 13.297 13.411 ( 2.011 -6.230 4.365) 7.868 13.498 ( -5.681 3.841 -1.710) 7.068 15.045 ( 15.400 -9.674 4.769) 18.802 17.600 ( -5.866 -1.552 -20.702) 21.573 18.945 ( 8.733 -5.921 7.399) 12.887 19.240 ( -5.870 -1.323 3.660) 7.042 19.738 ( 11.162 -4.429 1.240) 12.073 21.280 ( 5.094 9.776 -14.851) 18.495 23.003 ( -10.887 -14.109 3.868) 18.236 23.679 ( 9.034 2.441 -4.388) 10.336 24.015 ( 0.724 3.255 13.934) 14.328 ======================= Grid point 257 (110/432) ======================= q-point: (-0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -22.868 13.296 10.055) 28.299 2.104 ( -22.635 16.734 -2.789) 28.287 3.000 ( -21.771 14.751 -11.222) 28.592 3.433 ( 2.789 -9.089 4.765) 10.635 3.546 ( -5.001 -6.262 -0.032) 8.013 3.800 ( -7.521 -2.271 1.023) 7.923 4.568 ( -7.478 -2.065 -4.018) 8.737 4.687 ( -4.873 -3.249 -0.149) 5.859 5.432 ( -0.061 -6.987 1.766) 7.207 5.542 ( -4.413 -2.859 1.555) 5.483 5.573 ( 2.536 -7.572 2.128) 8.264 5.760 ( -5.236 -3.173 2.190) 6.502 6.578 ( -4.931 -1.019 -0.068) 5.036 6.768 ( -10.631 0.956 10.195) 14.760 7.716 ( -15.603 -4.091 17.102) 23.509 8.048 ( -5.112 2.240 1.869) 5.886 8.509 ( 8.947 12.393 -1.648) 15.374 9.358 ( -3.401 -12.140 4.321) 13.328 9.551 ( 6.853 3.001 -3.116) 8.104 9.806 ( -4.709 5.702 -0.955) 7.457 10.787 ( -3.095 -7.614 -2.671) 8.642 11.503 ( 5.450 5.328 0.274) 7.627 12.243 ( -5.009 4.520 -1.044) 6.827 12.479 ( -5.734 7.402 10.059) 13.742 13.135 ( -0.668 0.310 -10.679) 10.705 13.496 ( 5.102 1.571 7.241) 8.996 13.617 ( 9.466 2.507 7.587) 12.388 15.371 ( 16.280 -9.990 0.949) 19.124 17.283 ( -5.927 -0.008 -20.358) 21.204 19.102 ( -4.568 -4.388 1.398) 6.486 19.328 ( 11.817 2.545 10.007) 15.693 19.932 ( 10.207 -3.351 1.893) 10.909 21.087 ( 4.765 7.240 -16.754) 18.863 22.997 ( -15.183 -16.462 3.133) 22.612 23.692 ( 7.368 5.301 -4.530) 10.144 24.225 ( 1.049 -1.506 19.919) 20.004 ======================= Grid point 258 (111/432) ======================= q-point: (-0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -23.830 11.977 15.646) 30.922 1.586 ( -29.488 12.984 -7.294) 33.035 2.439 ( -31.924 23.440 9.139) 40.646 3.525 ( -4.848 -6.201 -0.599) 7.894 3.622 ( 1.314 -8.102 7.249) 10.951 3.732 ( -6.728 -2.377 0.248) 7.140 4.489 ( -5.062 -5.253 -2.763) 7.801 4.695 ( -0.090 -0.789 5.931) 5.984 5.439 ( -5.054 -1.251 7.922) 9.480 5.574 ( -6.030 -11.205 -9.403) 15.822 5.660 ( 3.511 -6.420 -0.031) 7.317 5.787 ( 1.704 0.514 5.281) 5.573 6.543 ( -4.349 -8.124 -1.190) 9.292 6.750 ( -11.281 -3.585 9.938) 15.455 7.640 ( -19.592 0.615 9.622) 21.836 8.038 ( -1.860 1.660 6.218) 6.699 8.519 ( 13.633 11.412 -5.335) 18.562 9.482 ( 1.000 -8.210 3.362) 8.928 9.582 ( 6.388 0.487 -3.834) 7.466 9.733 ( 0.258 8.962 2.781) 9.387 10.778 ( -11.244 -21.415 -5.916) 24.901 11.481 ( 2.796 11.944 0.611) 12.282 12.133 ( -9.203 -0.887 2.728) 9.640 12.467 ( -4.638 2.687 5.779) 7.882 13.028 ( -1.210 -0.652 -4.611) 4.812 13.626 ( 7.573 2.486 0.840) 8.015 13.763 ( 10.773 11.789 2.947) 16.240 15.637 ( 14.606 -9.295 -4.690) 17.936 17.061 ( -2.671 0.964 -0.258) 2.851 19.032 ( -1.704 5.185 -3.402) 6.432 19.594 ( 10.779 0.807 9.191) 14.189 20.087 ( 7.022 -0.097 2.530) 7.465 20.913 ( 5.573 3.229 -16.521) 17.733 22.979 ( -17.929 -21.095 4.750) 28.089 23.699 ( 8.072 4.901 -3.889) 10.212 24.492 ( -1.013 -6.097 18.607) 19.607 ======================= Grid point 259 (112/432) ======================= q-point: (-0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -31.004 11.280 -1.583) 33.030 1.106 ( -20.823 14.242 17.484) 30.694 2.093 ( -33.786 18.670 36.671) 53.244 3.492 ( -5.170 -4.646 -1.370) 7.085 3.655 ( -4.160 0.321 0.697) 4.230 3.795 ( 0.345 -6.579 6.964) 9.587 4.427 ( -2.658 -4.657 -5.788) 7.890 4.843 ( 2.049 -1.568 14.061) 14.296 5.334 ( -9.043 -3.223 -17.918) 20.328 5.598 ( 2.787 -4.395 12.710) 13.734 5.765 ( 2.682 -4.226 1.460) 5.214 5.844 ( 0.507 1.444 3.775) 4.073 6.592 ( -0.573 -12.214 0.187) 12.229 6.774 ( -12.281 -15.012 7.781) 20.897 7.496 ( -18.237 2.845 12.224) 22.138 8.055 ( -1.955 1.906 -1.096) 2.942 8.523 ( 14.282 11.556 -9.259) 20.573 9.524 ( 1.457 4.717 -4.166) 6.460 9.619 ( 9.033 2.491 -2.958) 9.826 9.766 ( 0.986 -0.922 8.476) 8.583 10.631 ( -26.804 -22.179 -11.700) 36.705 11.409 ( 3.179 15.001 -0.408) 15.339 12.128 ( -9.271 -14.294 6.950) 18.401 12.427 ( -4.382 0.560 -0.479) 4.443 12.990 ( 0.153 1.398 -2.866) 3.192 13.532 ( 5.271 24.906 -15.756) 29.939 13.784 ( 3.551 1.927 -1.212) 4.217 15.785 ( 9.491 -7.658 -9.217) 15.286 17.426 ( 22.087 -11.426 40.032) 47.127 18.918 ( 5.902 14.506 -5.353) 16.550 19.775 ( 3.754 -2.117 4.470) 6.209 20.162 ( 2.300 5.136 2.658) 6.224 20.811 ( 9.154 -0.822 -15.060) 17.643 23.011 ( -18.584 -26.556 7.622) 33.297 23.730 ( 8.349 3.465 -3.449) 9.675 24.625 ( -10.946 -8.346 -1.689) 13.868 ======================= Grid point 260 (113/432) ======================= q-point: (-0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 4.984 7.211 30.123) 31.372 0.972 ( -15.695 11.747 22.144) 29.575 2.057 ( -31.098 7.613 47.428) 57.223 3.443 ( -3.281 -1.904 -2.110) 4.340 3.653 ( 0.675 0.101 3.989) 4.047 3.903 ( -1.369 -3.103 5.553) 6.507 4.387 ( 1.463 -2.931 -4.825) 5.832 5.056 ( 1.870 -0.025 -5.956) 6.243 5.064 ( -2.368 -1.032 6.842) 7.313 5.705 ( -2.274 -3.248 -5.788) 7.016 5.792 ( -2.819 2.725 8.319) 9.196 6.023 ( 8.074 -1.950 12.367) 14.898 6.699 ( 3.472 -4.661 0.911) 5.883 6.879 ( -12.557 -32.978 3.180) 35.431 7.413 ( -15.126 3.174 15.700) 22.031 7.744 ( -18.870 18.035 -18.211) 31.827 8.540 ( 8.155 5.466 2.802) 10.210 9.402 ( -0.604 6.173 -7.556) 9.776 9.739 ( 7.815 -4.884 0.804) 9.250 9.891 ( 4.209 6.672 6.928) 10.499 10.263 ( -26.924 -12.769 -2.475) 29.901 11.307 ( 2.269 11.746 -3.128) 12.366 12.249 ( -7.136 -15.249 7.808) 18.559 12.339 ( -2.982 0.731 -5.288) 6.115 12.845 ( -0.476 14.460 -8.906) 16.989 13.274 ( 0.825 10.186 1.052) 10.273 13.788 ( 1.072 -0.327 -2.849) 3.061 15.785 ( 3.462 -4.146 -14.563) 15.532 18.443 ( 21.324 -31.095 13.546) 40.064 18.949 ( 39.859 24.448 8.950) 47.608 19.827 ( -5.501 -8.235 -1.040) 9.958 20.092 ( -4.046 9.714 -3.116) 10.975 20.837 ( 15.250 -1.747 -9.024) 17.806 23.110 ( -17.538 -30.220 7.797) 35.800 23.762 ( 5.121 4.056 -4.633) 8.009 24.098 ( -44.351 10.609 -20.735) 50.095 ======================= Grid point 262 (114/432) ======================= q-point: ( 0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 7.846 0.000 28.017) 29.095 2.089 ( 3.359 0.000 22.934) 23.179 3.336 ( 11.719 0.000 14.901) 18.957 3.361 ( 4.786 0.000 -5.881) 7.582 3.862 ( -1.808 -0.000 -6.388) 6.638 3.908 ( 5.204 0.000 10.282) 11.524 4.439 ( 1.752 0.000 -4.316) 4.658 4.630 ( -2.327 -0.000 -13.178) 13.382 5.387 ( -12.086 -0.000 10.322) 15.894 5.398 ( -2.080 -0.000 2.233) 3.051 6.000 ( -8.642 -0.000 15.305) 17.576 6.294 ( -3.865 -0.000 27.193) 27.466 6.540 ( -11.462 -0.000 -6.177) 13.020 6.882 ( 3.098 0.000 0.418) 3.127 7.038 ( -4.294 -0.000 2.303) 4.873 7.711 ( -12.234 -0.000 26.354) 29.055 8.897 ( -10.130 -0.000 7.556) 12.637 9.350 ( 0.013 0.000 5.615) 5.615 9.570 ( 13.365 0.000 -2.880) 13.672 9.939 ( -0.077 -0.000 -1.377) 1.380 10.980 ( -6.415 -0.000 -8.536) 10.678 11.153 ( 25.040 0.000 7.186) 26.051 12.036 ( 7.672 0.000 -11.252) 13.618 12.426 ( -2.999 -0.000 -10.148) 10.582 12.623 ( -4.652 -0.000 15.833) 16.502 13.583 ( -4.106 -0.000 -3.935) 5.687 13.646 ( 8.813 0.000 5.387) 10.329 14.966 ( -9.052 -0.000 -20.026) 21.976 18.727 ( 13.605 0.000 -6.864) 15.238 18.842 ( -22.106 -0.000 -10.247) 24.366 19.175 ( -17.311 -0.000 -4.065) 17.782 19.897 ( -6.662 -0.000 -5.445) 8.604 21.671 ( 16.935 0.000 11.201) 20.304 22.359 ( -0.705 -0.000 -9.132) 9.159 23.292 ( -0.522 -0.000 2.615) 2.667 23.964 ( 4.562 0.000 -0.317) 4.573 ======================= Grid point 263 (115/432) ======================= q-point: ( 0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 9.582 2.796 24.279) 26.251 2.418 ( 4.242 -8.943 20.048) 22.359 3.320 ( 2.612 4.532 -6.701) 8.501 3.486 ( -0.243 -3.031 -0.694) 3.118 3.717 ( -2.075 4.435 -10.441) 11.532 4.160 ( 15.925 -0.552 1.731) 16.028 4.355 ( 1.441 5.711 -4.023) 7.133 4.547 ( -0.674 -12.191 -6.926) 14.037 5.355 ( -9.641 2.672 10.068) 14.193 5.420 ( -7.461 -2.471 9.019) 11.964 6.015 ( -8.454 0.148 6.777) 10.837 6.314 ( -10.971 -0.227 -7.006) 13.019 6.586 ( -3.663 0.537 28.426) 28.666 6.927 ( 2.532 4.774 3.528) 6.454 7.001 ( -4.621 1.668 5.738) 7.554 7.850 ( -11.568 -0.048 24.366) 26.973 8.772 ( -16.877 -5.289 -0.736) 17.701 9.346 ( -3.917 0.380 2.262) 4.539 9.828 ( 11.723 9.912 3.249) 15.692 9.993 ( 12.358 -8.961 5.929) 16.376 10.754 ( -6.904 3.792 -8.726) 11.755 11.573 ( 19.920 -3.186 6.745) 21.271 11.968 ( 6.103 4.549 -13.765) 15.730 12.288 ( 2.760 5.117 -3.915) 7.009 12.787 ( -5.090 -13.066 11.461) 18.110 13.472 ( -5.537 2.405 -2.651) 6.593 13.819 ( 9.178 -1.629 2.182) 9.573 14.632 ( -8.724 1.379 -14.945) 17.360 18.434 ( -14.792 7.367 -10.856) 19.772 18.765 ( 4.738 -1.761 -10.594) 11.738 19.050 ( -4.578 -6.902 2.519) 8.657 19.707 ( -11.594 0.360 -5.035) 12.645 21.929 ( 9.710 14.906 8.554) 19.739 22.321 ( 6.361 -12.886 -8.721) 16.810 23.336 ( 2.699 -2.030 0.973) 3.515 24.013 ( 3.435 0.924 0.148) 3.560 ======================= Grid point 264 (116/432) ======================= q-point: ( 0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 1.799 8.242 14.822) 17.054 2.810 ( 7.584 -10.634 16.381) 20.951 3.211 ( -1.326 3.165 -5.754) 6.699 3.427 ( -5.946 -2.022 -4.811) 7.911 3.519 ( -1.989 4.778 -10.484) 11.692 4.186 ( 9.269 4.942 -12.675) 16.462 4.459 ( 10.356 -6.173 -1.771) 12.186 4.627 ( 0.586 -14.190 0.708) 14.219 5.276 ( -11.527 4.775 4.140) 13.145 5.441 ( -9.644 -3.445 8.805) 13.506 5.940 ( -11.397 0.771 3.862) 12.058 6.094 ( -10.363 -0.345 -7.229) 12.641 6.758 ( -5.235 1.409 11.082) 12.337 6.977 ( -0.208 6.895 8.637) 11.053 7.069 ( -6.185 3.330 24.579) 25.563 7.987 ( -2.393 -1.354 14.424) 14.684 8.577 ( -19.863 -11.055 -1.910) 22.812 9.323 ( -3.841 1.790 3.976) 5.811 9.776 ( -0.080 10.843 -1.903) 11.010 10.385 ( 9.159 -0.524 3.168) 9.705 10.608 ( 3.954 -8.838 -0.430) 9.692 11.622 ( 4.544 23.326 -7.856) 25.029 12.079 ( 16.885 -6.605 5.658) 18.993 12.312 ( 7.525 0.716 -1.729) 7.754 12.956 ( -4.550 -15.099 7.855) 17.618 13.339 ( -6.474 5.395 -0.944) 8.480 13.903 ( 3.312 -1.965 -8.512) 9.343 14.443 ( -0.616 -1.352 -2.551) 2.952 18.108 ( -8.594 3.756 -11.499) 14.838 18.686 ( -2.977 -5.776 -7.058) 9.594 19.151 ( 6.263 -1.810 2.560) 7.003 19.520 ( -7.864 -1.285 -3.678) 8.776 21.871 ( 4.501 18.173 -5.187) 19.428 22.513 ( 4.414 -16.404 2.490) 17.169 23.423 ( 6.676 -2.182 0.575) 7.047 24.039 ( 1.747 2.622 1.106) 3.339 ======================= Grid point 265 (117/432) ======================= q-point: (-0.64 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -7.805 13.378 3.567) 15.893 2.968 ( -5.327 5.879 -0.053) 7.934 3.205 ( -0.048 -1.055 1.297) 1.672 3.330 ( -3.623 -8.563 0.202) 9.300 3.398 ( 0.786 -3.394 -5.502) 6.512 4.116 ( 8.063 5.830 -12.015) 15.600 4.588 ( 5.453 -8.792 -5.203) 11.580 4.783 ( 0.444 -16.022 2.077) 16.162 5.072 ( -15.323 4.462 -1.095) 15.997 5.415 ( -8.748 -2.406 3.526) 9.734 5.813 ( -12.615 0.852 3.021) 13.000 5.903 ( -8.594 0.359 -3.591) 9.321 6.746 ( -7.380 2.370 5.165) 9.314 6.967 ( -4.061 9.081 7.821) 12.654 7.303 ( -9.066 -0.247 31.317) 32.603 8.121 ( 8.272 -1.706 -3.129) 9.007 8.436 ( -20.641 -13.468 7.913) 25.885 9.301 ( -4.822 3.315 5.253) 7.863 9.658 ( -1.232 6.422 -2.714) 7.080 10.217 ( -11.612 -1.621 -12.272) 16.972 10.997 ( 18.926 -6.937 10.084) 22.539 11.382 ( 5.258 29.804 -3.719) 30.491 12.335 ( 9.134 0.536 -2.123) 9.393 12.478 ( 10.893 -2.386 10.836) 15.549 13.104 ( -1.637 -11.923 5.649) 13.294 13.215 ( -3.560 5.122 0.428) 6.252 13.743 ( -5.641 -0.033 -13.702) 14.818 14.577 ( 10.241 -7.719 3.856) 13.391 17.851 ( -6.466 -0.363 -15.092) 16.422 18.675 ( 0.359 -6.117 0.979) 6.205 19.236 ( 1.550 1.861 2.536) 3.507 19.497 ( 6.373 -4.604 -2.071) 8.130 21.684 ( 3.284 14.798 -11.092) 18.783 22.695 ( -3.712 -14.713 4.525) 15.835 23.558 ( 9.604 -1.493 1.355) 9.814 24.045 ( 0.290 4.221 3.163) 5.282 ======================= Grid point 266 (118/432) ======================= q-point: (-0.55 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -13.917 16.699 0.642) 21.747 2.730 ( -15.687 8.761 -4.359) 18.489 3.169 ( -0.975 -3.204 -1.376) 3.621 3.352 ( -1.522 -3.417 -0.675) 3.801 3.486 ( 0.401 -8.571 -1.165) 8.659 3.987 ( -1.113 9.068 -8.354) 12.379 4.615 ( -4.880 -9.157 -2.640) 10.707 4.750 ( -14.306 0.406 -5.720) 15.412 5.023 ( 3.615 -15.551 1.845) 16.072 5.378 ( -3.618 -4.115 1.288) 5.629 5.674 ( -11.967 0.983 1.708) 12.129 5.787 ( -6.149 0.593 0.704) 6.217 6.658 ( -10.974 1.163 3.213) 11.494 6.915 ( -7.038 7.279 7.624) 12.675 7.525 ( -11.809 -2.744 27.411) 29.972 8.116 ( 2.198 -1.315 -8.731) 9.099 8.475 ( -6.794 -10.962 8.538) 15.466 9.260 ( -5.923 3.569 5.166) 8.631 9.597 ( 0.787 1.787 -1.440) 2.427 9.935 ( -12.236 -4.486 -11.391) 17.309 11.156 ( 5.150 28.301 -2.178) 28.848 11.370 ( 14.520 -0.099 7.671) 16.422 12.371 ( 4.661 2.235 -3.777) 6.402 12.665 ( -3.220 6.876 12.379) 14.522 13.206 ( 5.886 -0.664 -3.546) 6.904 13.275 ( 4.857 -7.740 5.655) 10.746 13.529 ( -5.695 -0.263 -4.969) 7.562 14.859 ( 14.155 -11.868 1.780) 18.557 17.577 ( -6.378 -1.122 -18.815) 19.898 18.825 ( 4.078 -7.071 8.929) 12.098 19.269 ( 4.413 3.894 2.831) 6.531 19.659 ( 12.829 -5.059 -0.923) 13.822 21.461 ( 2.467 11.493 -14.614) 18.755 22.762 ( -11.208 -14.238 3.011) 18.369 23.705 ( 9.047 0.762 0.945) 9.128 24.072 ( 0.031 3.378 8.244) 8.909 ======================= Grid point 267 (119/432) ======================= q-point: (-0.45 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -16.892 17.584 5.293) 24.951 2.333 ( -21.551 10.799 -8.179) 25.455 3.216 ( -1.080 -0.079 0.202) 1.102 3.313 ( -3.933 1.954 -0.131) 4.394 3.441 ( -7.189 -4.494 -2.523) 8.845 3.788 ( -10.101 2.169 -0.723) 10.357 4.523 ( -11.380 -3.510 -5.301) 13.036 4.607 ( -3.334 -5.906 0.765) 6.825 5.230 ( 4.452 -15.780 -0.244) 16.398 5.425 ( -0.305 -8.558 0.146) 8.564 5.526 ( -11.265 -0.052 0.808) 11.294 5.752 ( -2.287 1.128 4.213) 4.925 6.523 ( -15.458 -2.573 2.339) 15.845 6.844 ( -9.050 4.570 7.200) 12.434 7.652 ( -14.517 -3.060 18.756) 23.914 8.063 ( 0.303 -0.200 -3.189) 3.210 8.569 ( 2.273 -5.536 -0.315) 5.993 9.231 ( -5.197 -0.554 6.113) 8.043 9.591 ( 2.323 1.258 -2.523) 3.653 9.774 ( -8.203 -9.784 -1.987) 12.922 10.940 ( 1.148 25.175 -3.419) 25.432 11.584 ( 9.690 4.256 4.630) 11.552 12.332 ( 0.567 5.059 -3.764) 6.331 12.626 ( -9.564 9.390 10.687) 17.142 13.145 ( -0.210 0.780 -12.339) 12.365 13.401 ( 0.957 -9.347 2.532) 9.731 13.673 ( 13.856 1.349 11.777) 18.235 15.164 ( 15.593 -14.261 -2.314) 21.258 17.286 ( -5.768 0.341 -17.161) 18.108 19.033 ( 3.025 -3.605 7.666) 8.995 19.389 ( 12.300 4.515 6.298) 14.538 19.869 ( 13.953 -4.261 -0.151) 14.590 21.220 ( 1.411 8.396 -16.811) 18.843 22.724 ( -17.122 -15.497 1.520) 23.144 23.777 ( 6.485 4.635 -1.568) 8.124 24.202 ( 0.189 -1.162 14.831) 14.877 ======================= Grid point 268 (120/432) ======================= q-point: (-0.36 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -17.745 17.353 12.019) 27.576 1.806 ( -26.687 13.231 -10.037) 31.432 2.890 ( -18.888 28.382 4.724) 34.418 3.405 ( -6.259 -8.122 0.341) 10.259 3.444 ( 0.221 -12.348 7.525) 14.461 3.688 ( -6.020 -2.531 -0.305) 6.537 4.398 ( -6.604 -5.735 -3.488) 9.416 4.657 ( 0.141 -3.557 5.329) 6.408 5.343 ( -3.288 -15.454 -8.031) 17.723 5.405 ( -8.976 -3.397 6.013) 11.325 5.535 ( 3.409 -7.988 0.112) 8.686 5.803 ( 1.275 1.411 6.484) 6.757 6.367 ( -20.670 -8.824 4.248) 22.872 6.779 ( -7.220 2.450 4.974) 9.103 7.623 ( -17.738 -1.326 10.380) 20.595 8.065 ( 2.579 0.799 0.320) 2.719 8.619 ( 7.826 0.179 -5.760) 9.719 9.306 ( -2.871 -8.724 8.945) 12.820 9.573 ( 2.394 0.734 -3.401) 4.223 9.811 ( -4.540 -10.875 4.154) 12.495 10.680 ( -5.310 17.557 -5.784) 19.233 11.668 ( 5.601 9.859 3.814) 11.963 12.218 ( -4.057 8.078 -1.836) 9.224 12.544 ( -7.862 5.946 6.199) 11.645 13.020 ( -0.634 -0.131 -5.949) 5.984 13.528 ( 3.225 -9.474 -0.312) 10.013 13.950 ( 15.171 6.748 5.690) 17.552 15.430 ( 14.718 -14.952 -7.751) 22.366 17.080 ( -2.861 1.244 -3.271) 4.521 19.127 ( 6.718 5.699 0.792) 8.845 19.613 ( 10.653 1.481 6.961) 12.811 20.082 ( 13.850 -0.564 2.177) 14.032 20.979 ( 1.081 4.547 -17.456) 18.071 22.633 ( -21.988 -19.057 2.638) 29.217 23.788 ( 5.925 5.570 -2.202) 8.425 24.398 ( -2.764 -5.065 15.184) 16.244 ======================= Grid point 269 (121/432) ======================= q-point: (-0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -22.694 17.743 0.276) 28.808 1.383 ( -15.894 18.095 16.785) 29.356 2.509 ( -24.105 28.781 21.334) 43.180 3.393 ( -5.429 -7.171 -0.156) 8.996 3.634 ( -1.532 -8.837 3.776) 9.732 3.653 ( -1.858 -3.897 4.979) 6.590 4.335 ( -2.489 -5.868 -6.136) 8.848 4.799 ( 1.134 -3.606 11.721) 12.315 5.245 ( -6.255 -7.794 -13.123) 16.495 5.486 ( -1.156 -8.719 11.434) 14.426 5.666 ( 2.697 -7.495 3.141) 8.562 5.871 ( 0.365 1.816 4.745) 5.094 6.260 ( -24.966 -17.400 10.111) 32.067 6.730 ( -3.116 0.663 0.852) 3.298 7.504 ( -17.926 -0.414 9.883) 20.474 8.094 ( 1.865 1.811 -0.463) 2.641 8.642 ( 11.491 3.133 -9.935) 15.510 9.462 ( -0.927 -14.128 2.830) 14.438 9.583 ( 3.358 2.710 1.686) 4.633 9.871 ( -5.150 -7.553 2.856) 9.578 10.383 ( -12.489 9.343 -5.374) 16.497 11.674 ( 4.659 15.031 3.981) 16.232 12.082 ( -6.676 5.959 3.034) 9.449 12.463 ( -5.218 3.192 0.822) 6.172 12.990 ( 0.849 -0.418 -1.032) 1.400 13.606 ( 2.651 -7.049 -6.575) 9.997 14.004 ( 9.383 14.659 -10.311) 20.229 15.603 ( 10.417 -13.800 -11.775) 20.920 17.248 ( 9.063 -8.681 24.238) 27.295 19.167 ( 15.760 13.892 -3.106) 21.237 19.737 ( 1.956 -2.297 -1.212) 3.252 20.269 ( 8.924 7.102 6.761) 13.259 20.796 ( 5.199 -0.904 -16.720) 17.533 22.557 ( -25.683 -24.580 7.078) 36.247 23.797 ( 5.989 4.529 -2.125) 7.803 24.501 ( -10.709 -6.301 5.392) 13.545 ======================= Grid point 270 (122/432) ======================= q-point: (-0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 3.651 17.011 24.013) 29.654 1.256 ( -11.451 19.222 18.751) 29.192 2.310 ( -23.801 21.665 36.225) 48.457 3.382 ( -3.085 -5.240 -1.280) 6.214 3.653 ( 0.791 -0.381 3.011) 3.136 3.805 ( -2.176 -8.279 7.499) 11.381 4.304 ( 1.710 -6.185 -6.218) 8.935 5.005 ( 1.115 -4.962 14.738) 15.591 5.068 ( -1.385 -0.052 -11.239) 11.324 5.629 ( -1.578 -5.693 -1.729) 6.155 5.833 ( 0.275 -0.202 9.579) 9.585 5.958 ( 6.361 -5.367 10.080) 13.072 6.233 ( -32.450 -28.758 16.790) 46.497 6.721 ( 1.722 -1.429 -1.101) 2.494 7.415 ( -15.735 -0.938 11.559) 19.547 7.987 ( -6.792 9.190 -8.921) 14.498 8.640 ( 10.265 4.435 -7.139) 13.267 9.566 ( 0.960 10.689 -3.295) 11.227 9.589 ( 2.132 -12.416 0.281) 12.601 9.912 ( -12.349 -21.449 1.461) 24.793 10.128 ( -2.089 17.714 4.088) 18.299 11.604 ( 3.758 20.741 -0.170) 21.079 12.074 ( -5.099 -3.486 11.133) 12.732 12.365 ( -3.843 2.257 -4.219) 6.137 12.985 ( 1.293 3.234 -2.748) 4.436 13.503 ( 1.093 7.608 -14.103) 16.061 13.831 ( 1.164 8.973 -5.621) 10.652 15.652 ( 4.373 -11.284 -15.119) 19.366 17.932 ( 16.656 -27.594 25.037) 40.813 19.295 ( 31.164 16.712 -1.810) 35.409 19.682 ( -7.405 -8.038 -8.880) 14.081 20.279 ( -3.597 10.886 1.523) 11.566 20.794 ( 14.192 -2.462 -7.920) 16.438 22.551 ( -27.459 -29.717 11.713) 42.123 23.818 ( 5.644 3.150 -1.944) 6.750 24.252 ( -25.572 5.593 -9.479) 27.840 ======================= Grid point 271 (123/432) ======================= q-point: (-0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -5.788 16.017 22.843) 28.493 1.444 ( 11.847 8.456 26.670) 30.384 2.416 ( -7.018 13.261 43.881) 46.375 3.369 ( -0.204 -3.249 -3.211) 4.573 3.723 ( 0.780 -0.840 5.107) 5.234 3.897 ( -3.031 -5.134 4.650) 7.561 4.342 ( 4.427 -6.151 -3.646) 8.410 4.968 ( 3.652 2.437 -9.070) 10.076 5.231 ( 3.441 -2.281 12.602) 13.261 5.556 ( -3.348 -2.042 -7.958) 8.872 5.870 ( -9.550 2.288 12.963) 16.263 6.111 ( -16.714 -6.977 14.198) 23.014 6.443 ( -6.726 -32.198 15.524) 36.373 6.764 ( 2.112 -2.473 0.618) 3.311 7.336 ( -12.323 1.933 0.797) 12.499 7.627 ( -12.543 17.857 2.423) 21.956 8.713 ( 6.049 1.960 5.397) 8.340 9.393 ( -0.430 13.302 -5.182) 14.283 9.686 ( -2.992 -6.895 -3.910) 8.473 9.891 ( -6.038 -8.147 4.329) 11.026 10.257 ( 16.381 -2.288 6.677) 17.837 11.440 ( 2.007 21.617 -3.040) 21.922 12.220 ( -2.574 -8.956 10.975) 14.398 12.223 ( -3.690 1.440 -7.745) 8.699 12.865 ( 0.189 12.856 -6.097) 14.229 13.383 ( 3.778 5.637 1.088) 6.872 13.750 ( -1.284 0.860 -3.784) 4.087 15.548 ( -1.603 -7.279 -19.336) 20.723 18.440 ( 7.812 -17.861 2.178) 19.616 19.475 ( -15.283 -10.405 -10.231) 21.131 19.637 ( 24.514 1.625 -3.745) 24.851 20.077 ( -5.003 12.470 -6.460) 14.908 20.985 ( 16.247 -3.397 1.965) 16.714 22.579 ( -25.788 -26.481 9.444) 38.150 23.647 ( -20.996 22.664 -6.109) 31.493 23.864 ( 3.471 1.359 -0.996) 3.859 ======================= Grid point 274 (124/432) ======================= q-point: ( 0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -1.090 -0.000 14.113) 14.155 2.640 ( 12.640 0.000 22.670) 25.956 3.249 ( -3.222 -0.000 -8.729) 9.304 3.403 ( -3.684 -0.000 -5.374) 6.515 3.566 ( -3.578 -0.000 -11.887) 12.413 4.270 ( 13.114 0.000 -15.193) 20.070 4.388 ( 6.312 0.000 -5.313) 8.250 4.474 ( 0.812 0.000 5.604) 5.662 5.350 ( -13.000 -0.000 4.970) 13.918 5.380 ( -7.915 -0.000 8.720) 11.777 5.946 ( -10.750 -0.000 3.216) 11.221 6.092 ( -10.107 -0.000 -6.806) 12.185 6.773 ( -5.744 -0.000 13.265) 14.455 7.044 ( 2.321 0.000 4.510) 5.072 7.091 ( -6.538 -0.000 23.551) 24.442 7.975 ( -12.002 -0.000 23.860) 26.708 8.471 ( -15.525 -0.000 -7.484) 17.235 9.341 ( -3.568 -0.000 4.588) 5.812 9.880 ( -4.593 -0.000 -3.785) 5.952 10.385 ( 26.507 0.000 14.857) 30.387 10.521 ( -10.079 -0.000 -11.828) 15.540 11.914 ( 8.931 0.000 -13.834) 16.467 11.961 ( 21.275 0.000 10.875) 23.893 12.330 ( 5.746 0.000 -2.075) 6.109 12.787 ( -6.664 -0.000 11.620) 13.395 13.385 ( -6.495 -0.000 -0.763) 6.540 13.885 ( 4.734 0.000 -8.294) 9.550 14.431 ( -3.253 -0.000 -3.816) 5.015 18.148 ( -10.166 -0.000 -14.886) 18.026 18.620 ( -5.759 -0.000 -3.021) 6.503 19.145 ( 12.108 0.000 0.956) 12.145 19.507 ( -9.531 -0.000 -4.263) 10.441 22.129 ( 4.450 0.000 -17.388) 17.949 22.273 ( 3.747 0.000 14.374) 14.854 23.404 ( 6.784 0.000 1.356) 6.918 24.061 ( 2.272 0.000 0.943) 2.460 ======================= Grid point 275 (125/432) ======================= q-point: (-0.73 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -5.984 8.742 5.899) 12.126 3.036 ( 0.745 1.553 5.453) 5.718 3.090 ( 0.431 -7.595 3.530) 8.386 3.275 ( -5.312 -0.051 -6.456) 8.361 3.376 ( -5.092 -0.254 -9.412) 10.704 4.232 ( 11.465 7.349 -11.312) 17.703 4.464 ( 8.301 -5.829 -7.419) 12.567 4.540 ( -2.481 -10.225 1.785) 10.672 5.158 ( -17.743 4.231 0.552) 18.249 5.365 ( -7.325 -2.801 2.669) 8.284 5.826 ( -11.879 0.560 2.528) 12.158 5.906 ( -8.180 0.031 -3.941) 9.079 6.792 ( -7.619 2.151 7.395) 10.834 7.066 ( -4.259 2.755 3.319) 6.062 7.303 ( -10.357 0.101 29.956) 31.696 8.097 ( -3.952 -0.769 13.513) 14.100 8.250 ( -11.516 -6.699 -3.295) 13.725 9.345 ( -4.800 1.466 6.105) 7.903 9.720 ( -8.459 1.300 -5.578) 10.215 10.232 ( -9.395 1.824 -14.107) 17.047 10.905 ( 23.090 -3.389 13.743) 27.083 11.836 ( 10.908 19.812 -6.513) 23.535 12.345 ( 12.425 0.951 3.454) 12.931 12.417 ( 10.818 -4.670 6.839) 13.624 12.885 ( -4.163 -10.305 9.821) 14.831 13.291 ( -5.505 2.665 0.739) 6.160 13.737 ( -4.082 -0.376 -15.383) 15.920 14.480 ( 7.486 -3.271 2.364) 8.505 17.850 ( -7.385 0.046 -16.761) 18.316 18.591 ( -1.699 -2.916 4.569) 5.681 19.297 ( 10.235 4.261 -0.713) 11.110 19.416 ( 2.353 -4.544 -2.294) 5.608 21.914 ( 2.617 10.329 -16.947) 20.019 22.470 ( -4.223 -10.069 9.614) 14.548 23.539 ( 9.278 -0.616 3.143) 9.815 24.093 ( 0.915 1.462 2.232) 2.821 ======================= Grid point 276 (126/432) ======================= q-point: (-0.64 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -10.909 14.422 -0.699) 18.096 2.823 ( -13.936 2.101 -6.911) 15.697 3.133 ( -5.165 -0.948 -4.656) 7.018 3.257 ( -5.457 -7.910 -4.206) 10.489 3.382 ( 5.900 -2.823 10.455) 12.332 4.149 ( 6.239 9.536 -13.585) 17.731 4.461 ( -4.287 -7.415 -2.395) 8.893 4.673 ( 0.412 -12.299 -1.547) 12.402 4.874 ( -14.874 0.514 -2.182) 15.042 5.314 ( -5.704 -3.415 0.142) 6.650 5.691 ( -11.683 0.882 1.200) 11.777 5.797 ( -5.084 0.484 0.450) 5.127 6.704 ( -13.455 3.810 5.419) 14.998 6.988 ( -9.626 1.282 2.912) 10.139 7.495 ( -11.514 -0.868 26.929) 29.300 8.092 ( 1.509 -1.290 -8.592) 8.819 8.291 ( -6.797 -8.675 13.727) 17.604 9.322 ( -6.831 2.855 5.892) 9.462 9.561 ( -8.330 -4.499 -3.795) 10.200 9.933 ( -7.051 3.078 -14.092) 16.055 11.326 ( 17.394 -0.758 9.477) 19.823 11.709 ( 9.017 29.979 -1.525) 31.343 12.404 ( 5.186 1.910 -2.697) 6.150 12.717 ( 4.137 -2.191 10.789) 11.761 13.045 ( -4.782 -11.600 7.755) 14.750 13.279 ( 8.461 2.972 1.798) 9.146 13.504 ( -5.853 -2.115 -10.775) 12.443 14.679 ( 12.519 -8.576 -0.402) 15.180 17.563 ( -6.541 -0.509 -17.462) 18.654 18.731 ( 4.158 -3.911 11.196) 12.567 19.352 ( 8.985 5.684 0.872) 10.668 19.567 ( 13.672 -5.780 -2.285) 15.018 21.648 ( 0.651 9.807 -17.843) 20.371 22.543 ( -11.207 -11.023 5.144) 16.540 23.711 ( 8.522 0.051 4.941) 9.851 24.120 ( 0.083 2.099 4.518) 4.983 ======================= Grid point 277 (127/432) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -12.891 16.712 1.408) 21.153 2.481 ( -18.392 7.095 -9.089) 21.708 3.091 ( -3.247 -7.963 1.128) 8.673 3.231 ( -6.349 -10.398 -0.988) 12.223 3.510 ( 2.229 5.128 3.562) 6.629 3.901 ( -8.328 10.065 -10.426) 16.714 4.434 ( -11.455 -6.027 -1.766) 13.063 4.537 ( -5.791 -1.531 -1.305) 6.130 4.944 ( 3.508 -17.348 -1.447) 17.759 5.303 ( -2.488 -5.874 0.629) 6.410 5.528 ( -12.635 0.224 -0.561) 12.649 5.777 ( -1.139 1.491 4.280) 4.673 6.516 ( -19.997 1.587 4.260) 20.507 6.878 ( -11.539 -0.524 3.179) 11.980 7.625 ( -11.694 -0.185 19.500) 22.738 8.042 ( 2.561 -2.299 -6.767) 7.592 8.434 ( -1.861 -7.489 8.435) 11.432 9.265 ( -7.613 2.407 5.126) 9.488 9.494 ( -7.886 -11.795 -2.114) 14.345 9.708 ( -2.311 3.331 -8.413) 9.339 11.453 ( 6.794 28.794 -2.469) 29.688 11.664 ( 10.682 8.454 7.670) 15.633 12.399 ( 2.587 3.005 -3.427) 5.241 12.766 ( -9.633 6.225 9.560) 14.931 13.121 ( 0.565 -7.508 -6.553) 9.981 13.244 ( -3.894 -5.207 -3.982) 7.624 13.661 ( 16.096 -2.160 12.112) 20.260 14.921 ( 14.527 -13.523 -4.751) 20.408 17.293 ( -5.457 0.462 -14.972) 15.942 18.985 ( 8.112 -2.038 12.288) 14.865 19.476 ( 14.103 5.836 2.471) 15.461 19.789 ( 16.415 -5.311 -1.082) 17.287 21.358 ( -1.215 7.653 -18.753) 20.291 22.491 ( -17.127 -11.888 1.711) 20.919 23.843 ( 5.393 3.103 3.453) 7.116 24.187 ( -0.193 -0.609 9.091) 9.113 ======================= Grid point 278 (128/432) ======================= q-point: (-0.45 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -13.441 17.608 6.897) 23.200 2.032 ( -20.509 13.720 -7.666) 25.838 3.186 ( -2.321 -8.852 3.473) 9.788 3.236 ( -5.880 -11.381 1.397) 12.887 3.389 ( -8.790 19.788 2.316) 21.776 3.661 ( -7.006 -0.248 -1.386) 7.146 4.293 ( -8.136 -6.414 -3.471) 10.925 4.586 ( 0.631 -4.513 5.169) 6.890 5.063 ( -1.846 -17.086 -6.936) 18.532 5.330 ( -9.449 -5.510 5.071) 12.057 5.418 ( -1.158 -5.206 0.177) 5.336 5.832 ( 1.365 1.809 6.459) 6.845 6.273 ( -25.918 -2.761 5.640) 26.668 6.785 ( -8.862 -1.877 1.880) 9.251 7.624 ( -13.424 1.841 10.074) 16.884 8.048 ( 5.045 -3.004 -4.761) 7.559 8.564 ( 1.416 -4.643 5.752) 7.527 9.222 ( -6.061 -2.083 3.779) 7.440 9.493 ( -9.718 -18.049 -0.693) 20.511 9.628 ( 1.358 2.211 -0.867) 2.736 11.189 ( 2.739 36.263 -3.623) 36.546 11.807 ( 6.802 6.925 6.392) 11.622 12.340 ( 0.149 5.592 -3.528) 6.613 12.656 ( -11.551 7.106 6.890) 15.211 13.025 ( 0.303 0.502 -7.534) 7.557 13.330 ( 1.111 -14.023 -0.352) 14.071 14.004 ( 14.633 0.609 8.288) 16.828 15.157 ( 14.347 -16.641 -9.449) 23.917 17.101 ( -2.715 1.137 -5.662) 6.381 19.214 ( 12.317 4.465 5.330) 14.144 19.643 ( 10.561 2.013 1.666) 10.879 20.068 ( 20.323 -1.168 3.476) 20.651 21.059 ( -2.770 4.745 -19.050) 19.827 22.357 ( -21.778 -13.683 1.433) 25.760 23.883 ( 3.456 5.616 0.911) 6.657 24.319 ( -2.636 -4.349 11.396) 12.479 ======================= Grid point 279 (129/432) ======================= q-point: (-0.36 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -15.269 19.927 2.593) 25.238 1.700 ( -11.270 19.338 12.563) 25.667 2.991 ( -14.824 26.124 7.492) 30.957 3.254 ( -6.395 -9.061 1.192) 11.154 3.421 ( -2.124 -13.385 9.795) 16.721 3.625 ( -1.272 -1.260 1.198) 2.154 4.237 ( -1.770 -5.766 -5.765) 8.343 4.725 ( 0.282 -4.976 10.025) 11.196 5.060 ( -2.762 -13.987 -7.639) 16.174 5.330 ( -9.139 -9.151 9.063) 15.793 5.528 ( 1.357 -8.103 3.827) 9.063 5.902 ( -0.188 1.745 5.534) 5.806 6.062 ( -25.444 -7.080 10.570) 28.448 6.719 ( -4.694 -2.442 -1.192) 5.424 7.516 ( -13.593 2.461 6.676) 15.342 8.091 ( 4.591 -2.577 -4.145) 6.701 8.670 ( 4.994 0.793 1.520) 5.280 9.236 ( -4.738 -11.524 0.761) 12.483 9.504 ( -13.194 -19.864 0.792) 23.860 9.672 ( 3.156 1.033 4.326) 5.454 10.861 ( 1.201 37.248 -2.840) 37.375 11.880 ( 3.983 9.417 6.937) 12.356 12.231 ( -1.666 9.265 -2.487) 9.737 12.531 ( -8.382 5.177 3.151) 10.343 12.989 ( 1.982 0.376 -1.194) 2.344 13.437 ( 1.691 -12.608 -4.585) 13.522 14.163 ( 8.274 5.140 -4.306) 10.651 15.338 ( 11.389 -17.137 -13.355) 24.530 17.142 ( 3.926 -4.165 12.035) 13.327 19.368 ( 19.039 9.892 -2.368) 21.586 19.702 ( 0.823 -1.821 -5.310) 5.673 20.387 ( 17.336 6.564 9.530) 20.843 20.786 ( -0.385 -0.083 -18.737) 18.741 22.218 ( -23.664 -15.967 5.591) 29.089 23.881 ( 3.137 5.361 -0.193) 6.215 24.405 ( -8.568 -5.269 6.799) 12.141 ======================= Grid point 280 (130/432) ======================= q-point: (-0.27 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.043 20.648 17.865) 27.380 1.586 ( -7.039 20.080 16.023) 26.637 2.727 ( -15.065 25.988 21.368) 36.864 3.271 ( -3.343 -7.852 0.064) 8.534 3.600 ( -0.069 -9.412 4.540) 10.450 3.674 ( -1.516 -3.340 8.086) 8.879 4.202 ( 1.610 -5.477 -7.386) 9.335 4.899 ( -1.042 -7.489 13.107) 15.132 5.041 ( 1.848 -3.623 -7.254) 8.316 5.492 ( -1.662 -12.933 7.955) 15.275 5.641 ( -11.126 -14.810 13.946) 23.186 5.938 ( -1.288 -0.189 5.942) 6.083 5.975 ( -18.259 -4.471 12.715) 22.695 6.685 ( -0.006 -3.113 -2.697) 4.119 7.414 ( -11.900 1.410 7.626) 14.204 8.067 ( -2.743 0.755 -6.196) 6.817 8.700 ( 6.331 3.913 -4.276) 8.583 9.328 ( -1.239 -16.979 2.398) 17.193 9.520 ( -11.312 -21.178 0.571) 24.016 9.735 ( 1.942 6.759 3.658) 7.927 10.570 ( 2.446 32.913 1.326) 33.031 11.916 ( 3.077 13.773 6.363) 15.481 12.113 ( -2.181 7.492 1.200) 7.895 12.416 ( -5.863 4.120 -1.132) 7.255 13.019 ( 3.302 1.733 0.799) 3.814 13.466 ( 1.010 -8.433 -8.897) 12.300 14.038 ( 0.420 11.432 -11.509) 16.227 15.421 ( 6.073 -15.749 -16.205) 23.399 17.552 ( 10.712 -17.515 22.628) 30.554 19.507 ( 22.403 5.325 -12.973) 26.430 19.582 ( -5.431 -0.285 -6.028) 8.119 20.422 ( -7.715 5.327 -3.604) 10.044 20.792 ( 18.259 3.202 -1.087) 18.569 22.165 ( -20.132 -16.999 11.211) 28.635 23.877 ( 3.140 3.888 -0.674) 5.043 24.294 ( -16.921 0.085 -2.476) 17.101 ======================= Grid point 281 (131/432) ======================= q-point: (-0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.935 18.290 16.777) 24.895 1.643 ( 10.788 14.908 21.597) 28.374 2.718 ( -4.133 21.358 34.453) 40.746 3.290 ( -0.673 -6.041 -2.492) 6.569 3.689 ( 1.024 -4.270 1.683) 4.703 3.792 ( -4.570 -5.978 9.548) 12.157 4.221 ( 4.448 -7.429 -5.270) 10.137 5.005 ( 4.042 1.269 -4.924) 6.496 5.159 ( 3.921 -6.330 14.062) 15.912 5.512 ( -3.629 -2.971 -4.350) 6.397 5.826 ( -31.304 -19.146 24.281) 44.001 5.952 ( -2.683 -0.117 13.035) 13.309 6.084 ( 3.011 -10.199 10.620) 15.030 6.711 ( 1.898 -3.967 -0.684) 4.451 7.346 ( -9.361 0.609 3.926) 10.169 7.844 ( -11.551 7.856 -5.593) 15.047 8.736 ( 6.807 1.196 0.636) 6.940 9.486 ( -1.983 -15.101 -1.592) 15.314 9.625 ( -0.089 -18.952 4.700) 19.526 9.666 ( 0.642 15.697 -0.094) 15.710 10.431 ( 4.970 20.339 4.691) 21.456 11.824 ( 1.732 21.907 -0.159) 21.976 12.127 ( -1.908 -2.146 7.299) 7.843 12.267 ( -4.706 3.704 -7.034) 9.238 13.029 ( 3.468 7.068 -1.869) 8.092 13.433 ( 2.373 -1.787 -4.614) 5.487 13.823 ( -3.195 7.993 -5.874) 10.421 15.376 ( 0.265 -12.833 -19.587) 23.419 18.090 ( 9.260 -21.599 14.029) 27.370 19.288 ( -15.271 -10.126 -17.295) 25.196 19.720 ( 21.736 5.935 -4.861) 23.050 20.211 ( -8.907 2.848 -6.975) 11.666 20.983 ( 12.131 4.794 5.707) 14.238 22.240 ( -9.818 -14.511 11.443) 20.926 23.881 ( 2.341 3.329 -1.712) 4.415 23.937 ( -18.764 9.687 -5.928) 21.933 ======================= Grid point 282 (132/432) ======================= q-point: (-0.09 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 2.026 14.758 20.214) 25.111 1.923 ( 8.993 10.685 21.190) 25.379 3.023 ( 9.664 12.755 32.089) 35.858 3.303 ( 2.151 -4.703 -4.028) 6.555 3.747 ( 0.273 -5.234 0.033) 5.241 3.861 ( -4.856 -3.637 6.699) 9.038 4.302 ( 4.119 -7.540 -2.904) 9.070 4.938 ( 1.922 6.857 -8.532) 11.113 5.381 ( -2.141 -1.310 10.642) 10.934 5.426 ( -1.960 -2.032 -4.761) 5.535 5.858 ( -16.998 -4.602 26.771) 32.044 6.068 ( -8.000 -3.704 15.256) 17.620 6.394 ( 0.189 -17.859 11.957) 21.492 6.767 ( 0.236 -3.810 1.888) 4.259 7.178 ( -9.277 3.427 -8.193) 12.842 7.674 ( -8.809 5.381 11.550) 15.490 8.850 ( 4.130 -0.399 5.665) 7.022 9.444 ( -4.341 2.688 -3.452) 6.163 9.614 ( 5.397 7.109 0.998) 8.981 9.833 ( -0.738 -10.479 4.493) 11.425 10.479 ( 10.690 -0.470 2.290) 10.943 11.633 ( 1.688 24.166 -2.285) 24.333 12.102 ( -1.293 0.961 -9.557) 9.691 12.207 ( -2.730 -7.480 3.636) 8.753 12.954 ( 1.686 14.106 -0.031) 14.207 13.493 ( 5.670 -0.612 2.865) 6.382 13.686 ( -3.668 2.498 -3.053) 5.387 15.197 ( -4.681 -8.856 -21.485) 23.706 18.445 ( 8.003 -14.110 3.685) 16.635 18.970 ( -18.159 -11.859 -14.618) 26.154 19.739 ( -5.373 9.638 -5.551) 12.352 20.011 ( -3.028 1.470 -7.349) 8.083 21.215 ( 12.879 -3.848 8.465) 15.885 22.369 ( 0.438 -6.697 3.510) 7.574 23.546 ( -11.265 13.742 -3.356) 18.083 23.912 ( 3.410 0.311 -0.472) 3.456 ======================= Grid point 286 (133/432) ======================= q-point: ( 0.27 -0.73 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -10.471 -0.000 -0.701) 10.495 2.820 ( -11.853 -0.000 -8.075) 14.342 3.140 ( -6.389 -0.000 -3.962) 7.518 3.161 ( -7.244 -0.000 -6.858) 9.975 3.363 ( 6.454 0.000 13.715) 15.157 4.244 ( 6.839 0.000 -20.338) 21.457 4.456 ( -3.127 -0.000 7.138) 7.793 4.475 ( 6.708 0.000 -5.486) 8.666 4.899 ( -21.687 -0.000 -2.813) 21.869 5.280 ( -5.587 -0.000 -0.225) 5.591 5.699 ( -11.870 -0.000 1.048) 11.916 5.801 ( -4.447 -0.000 0.390) 4.464 6.747 ( -15.332 -0.000 7.591) 17.108 6.988 ( -9.816 -0.000 -0.783) 9.847 7.489 ( -11.032 -0.000 26.579) 28.778 8.081 ( -0.502 -0.000 -7.892) 7.908 8.216 ( -4.874 -0.000 16.325) 17.037 9.348 ( -6.930 -0.000 6.033) 9.188 9.514 ( -11.397 -0.000 -5.898) 12.832 9.969 ( -5.971 -0.000 -14.312) 15.507 11.318 ( 18.581 0.000 11.331) 21.763 12.026 ( 13.890 0.000 -5.564) 14.963 12.443 ( 3.509 0.000 -0.109) 3.511 12.617 ( 4.434 0.000 6.947) 8.242 12.947 ( -4.683 -0.000 14.332) 15.077 13.312 ( 7.027 0.000 4.791) 8.505 13.480 ( -6.459 -0.000 -15.412) 16.711 14.602 ( 11.742 0.000 -1.169) 11.800 17.559 ( -6.551 -0.000 -16.986) 18.205 18.698 ( 4.576 0.000 12.071) 12.910 19.433 ( 8.914 0.000 1.315) 9.011 19.486 ( 15.314 0.000 -3.995) 15.827 21.743 ( 0.217 0.000 -21.434) 21.435 22.438 ( -11.388 -0.000 8.229) 14.051 23.711 ( 8.308 0.000 6.288) 10.419 24.138 ( 0.150 0.000 3.348) 3.351 ======================= Grid point 288 (134/432) ======================= q-point: (-0.64 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -11.763 8.532 -2.152) 14.690 2.569 ( -13.117 3.045 -6.969) 15.163 2.998 ( -8.095 -2.215 -1.061) 8.459 3.062 ( -8.041 -8.033 -1.032) 11.413 3.557 ( 3.014 1.150 8.364) 8.965 4.018 ( -2.611 2.133 -18.170) 18.480 4.427 ( -2.223 6.627 0.238) 6.994 4.535 ( -10.181 0.775 -2.254) 10.456 4.668 ( -2.465 -14.802 -0.835) 15.029 5.233 ( -3.623 -2.230 1.498) 4.510 5.531 ( -13.410 0.130 -1.391) 13.483 5.796 ( -0.586 0.627 4.228) 4.315 6.555 ( -24.710 2.029 6.534) 25.640 6.848 ( -10.458 -1.947 -1.032) 10.687 7.633 ( -8.751 0.587 20.145) 21.972 8.002 ( 0.984 -1.703 -7.938) 8.178 8.356 ( -2.051 -2.018 13.543) 13.846 9.293 ( -9.897 1.171 3.635) 10.608 9.338 ( -9.215 -5.676 -4.077) 11.566 9.767 ( -1.940 2.302 -9.162) 9.644 11.628 ( 12.910 1.568 7.423) 14.974 12.037 ( 10.225 21.876 -2.894) 24.321 12.448 ( 1.611 3.805 -1.213) 4.306 12.749 ( -1.191 -11.015 3.533) 11.629 12.965 ( -11.449 -3.504 7.921) 14.356 13.232 ( -4.877 0.537 -12.579) 13.502 13.625 ( 18.547 -1.441 12.515) 22.421 14.751 ( 13.810 -5.662 -6.056) 16.108 17.299 ( -5.236 0.209 -13.986) 14.936 18.963 ( 10.545 -0.633 14.621) 18.038 19.579 ( 15.395 6.156 -1.552) 16.653 19.693 ( 17.641 -5.923 0.366) 18.613 21.458 ( -2.633 3.489 -21.672) 22.108 22.345 ( -16.719 -4.870 3.565) 17.775 23.878 ( 4.670 1.063 7.700) 9.068 24.181 ( -0.284 -0.157 4.716) 4.727 ======================= Grid point 289 (135/432) ======================= q-point: (-0.55 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -11.190 12.295 2.699) 16.842 2.259 ( -13.101 12.611 -3.893) 18.596 2.986 ( -5.597 -10.900 4.883) 13.190 3.042 ( -8.097 -11.169 1.467) 13.873 3.617 ( -0.216 3.067 3.230) 4.460 3.740 ( -6.000 9.157 -12.053) 16.283 4.228 ( -11.198 0.720 -2.070) 11.410 4.520 ( 0.388 -2.971 4.692) 5.567 4.790 ( 0.660 -14.893 -4.246) 15.501 5.245 ( -8.328 -3.855 5.564) 10.732 5.359 ( -7.358 -2.187 -0.635) 7.702 5.858 ( 1.522 1.241 6.151) 6.457 6.256 ( -29.776 0.219 6.505) 30.479 6.733 ( -8.399 -3.379 -1.325) 9.150 7.682 ( -8.865 4.584 10.576) 14.541 7.971 ( 3.022 -5.518 -6.094) 8.759 8.506 ( -0.154 -2.037 12.128) 12.299 9.201 ( -10.867 -2.731 3.588) 11.765 9.238 ( -7.691 -8.844 -5.381) 12.896 9.681 ( 1.155 2.852 -0.969) 3.226 11.738 ( 7.486 21.057 -1.208) 22.380 11.950 ( 5.927 15.939 4.832) 17.679 12.405 ( 0.076 2.868 -3.081) 4.210 12.758 ( -11.010 3.239 6.684) 13.281 12.992 ( 1.283 -9.376 -5.122) 10.760 13.098 ( -2.997 -7.854 -2.733) 8.840 13.997 ( 14.567 -0.819 10.142) 17.769 14.911 ( 14.143 -11.449 -10.456) 20.987 17.116 ( -2.452 0.672 -7.072) 7.515 19.272 ( 14.928 2.346 9.290) 17.739 19.676 ( 10.415 1.706 -5.410) 11.860 20.047 ( 25.009 -1.167 6.541) 25.877 21.129 ( -5.128 3.259 -21.047) 21.906 22.179 ( -20.474 -7.382 1.743) 21.833 23.969 ( 1.047 4.316 5.260) 6.884 24.253 ( -1.686 -3.388 6.898) 7.867 ======================= Grid point 290 (136/432) ======================= q-point: (-0.45 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -9.374 19.287 4.963) 22.011 2.014 ( -7.929 17.338 8.831) 21.011 3.062 ( -7.087 -10.847 3.038) 13.308 3.119 ( -3.689 -14.247 6.483) 16.082 3.449 ( -7.452 16.303 -1.117) 17.960 3.619 ( -0.618 0.922 2.140) 2.411 4.146 ( -1.330 -4.642 -3.235) 5.812 4.644 ( -0.294 -4.295 9.766) 10.673 4.818 ( -1.993 -13.205 -6.148) 14.702 5.188 ( -13.822 -7.498 7.740) 17.527 5.415 ( 0.664 -5.075 5.325) 7.386 5.927 ( -4.414 1.261 5.774) 7.377 5.989 ( -21.121 -2.387 9.671) 23.352 6.655 ( -5.009 -4.560 -2.942) 7.385 7.593 ( -9.002 6.603 4.419) 12.007 8.012 ( 4.184 -6.382 -5.218) 9.245 8.667 ( 1.702 -1.328 11.018) 11.227 9.104 ( -9.544 -4.011 -1.458) 10.455 9.192 ( -9.312 -15.150 -1.566) 17.852 9.718 ( 3.231 2.746 5.781) 7.169 11.503 ( 3.667 37.171 -3.734) 37.537 12.006 ( 2.852 6.347 6.704) 9.663 12.336 ( -0.433 3.229 -3.766) 4.980 12.641 ( -9.956 7.171 5.881) 13.606 12.996 ( 3.736 -0.302 -2.566) 4.542 13.187 ( 0.107 -16.786 -2.850) 17.026 14.208 ( 6.736 0.987 1.192) 6.912 15.057 ( 12.279 -15.272 -14.093) 24.138 17.097 ( 2.520 -1.478 4.729) 5.559 19.498 ( 20.244 5.635 -4.822) 21.560 19.678 ( -0.239 -0.962 -5.457) 5.547 20.479 ( 25.737 4.182 10.949) 28.280 20.794 ( -5.900 0.937 -20.286) 21.147 22.011 ( -20.448 -9.057 4.971) 22.910 23.973 ( -0.180 5.417 2.448) 5.947 24.320 ( -6.050 -4.904 5.558) 9.568 ======================= Grid point 291 (137/432) ======================= q-point: (-0.36 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.087 20.541 12.700) 24.150 1.926 ( -2.850 20.220 14.366) 24.968 3.082 ( -6.586 5.671 6.988) 11.152 3.138 ( -4.830 -2.175 2.625) 5.911 3.418 ( -1.410 -6.916 9.877) 12.140 3.653 ( 0.087 -0.549 4.569) 4.603 4.131 ( 1.426 -2.939 -6.026) 6.855 4.762 ( -4.092 -8.715 9.502) 13.527 4.929 ( 6.275 -9.818 0.050) 11.652 5.229 ( -12.534 -13.674 15.096) 23.916 5.496 ( -7.153 -5.060 7.004) 11.217 5.870 ( -10.939 -4.149 11.713) 16.555 5.994 ( -2.955 1.956 5.792) 6.790 6.615 ( -0.981 -4.951 -3.637) 6.221 7.474 ( -8.050 5.870 4.016) 10.742 8.029 ( 0.416 -4.647 -6.915) 8.342 8.779 ( 1.853 4.752 3.494) 6.182 9.059 ( -5.738 -13.956 2.611) 15.313 9.204 ( -6.956 -15.826 0.076) 17.288 9.824 ( 3.214 3.938 8.435) 9.849 11.180 ( 2.238 38.289 -2.654) 38.446 12.054 ( 0.159 4.900 6.628) 8.244 12.251 ( -0.193 5.642 -3.850) 6.833 12.523 ( -7.088 8.797 3.935) 11.963 13.048 ( 5.465 1.145 1.016) 5.675 13.274 ( 0.853 -13.720 -5.240) 14.711 14.174 ( -1.405 5.012 -7.748) 9.334 15.145 ( 8.055 -16.421 -17.170) 25.087 17.334 ( 8.082 -8.949 15.979) 20.018 19.459 ( -1.067 -4.310 -23.262) 23.682 19.695 ( 13.449 7.083 -0.018) 15.200 20.461 ( -10.322 0.335 -13.380) 16.902 20.896 ( 23.614 7.961 8.369) 26.288 21.947 ( -13.922 -9.826 9.863) 19.689 23.946 ( -0.181 4.248 0.807) 4.328 24.272 ( -11.830 -2.306 0.016) 12.053 ======================= Grid point 292 (138/432) ======================= q-point: (-0.27 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 4.455 16.344 13.220) 21.489 1.935 ( 4.865 19.601 15.680) 25.568 3.067 ( -0.981 17.026 21.253) 27.249 3.175 ( -0.772 -6.721 -0.084) 6.766 3.565 ( -0.305 -8.483 3.797) 9.299 3.728 ( -3.441 -2.599 9.233) 10.190 4.119 ( 3.769 -4.017 -4.994) 7.436 4.951 ( 0.165 -9.353 10.537) 14.091 5.069 ( 8.580 -2.695 2.116) 9.239 5.428 ( -6.994 -14.981 12.627) 20.803 5.499 ( -16.768 -8.239 15.806) 24.472 5.965 ( -2.935 -5.150 10.608) 12.152 5.996 ( -3.457 2.786 7.571) 8.777 6.633 ( 1.950 -5.137 -1.858) 5.801 7.378 ( -7.454 3.465 2.390) 8.560 7.910 ( -7.500 0.751 -7.541) 10.662 8.774 ( 2.978 3.538 0.941) 4.720 9.193 ( -4.470 -18.692 1.538) 19.281 9.330 ( 3.805 -15.098 5.413) 16.484 9.891 ( 1.599 10.139 6.837) 12.332 10.885 ( 1.508 32.570 -0.423) 32.607 12.074 ( -4.068 4.691 6.201) 8.775 12.156 ( 2.148 6.010 -4.621) 7.879 12.376 ( -5.752 10.663 -1.813) 12.251 13.113 ( 5.347 1.958 -1.108) 5.801 13.343 ( 3.212 -6.835 -0.635) 7.579 13.963 ( -6.370 7.190 -8.199) 12.629 15.134 ( 2.789 -15.436 -20.222) 25.593 17.768 ( 9.531 -15.985 17.488) 25.538 19.143 ( -12.308 -7.266 -21.861) 26.119 19.813 ( 16.449 4.994 -5.571) 18.071 20.198 ( -10.589 -2.903 -10.103) 14.920 21.139 ( 11.333 12.438 8.727) 18.955 22.053 ( -0.151 -8.766 10.356) 13.569 23.922 ( 0.252 2.274 -0.032) 2.288 24.052 ( -15.182 4.055 -5.237) 16.564 ======================= Grid point 293 (139/432) ======================= q-point: (-0.18 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 4.300 18.023 12.552) 22.380 2.111 ( 10.612 11.161 17.144) 23.046 3.175 ( -0.019 -3.433 0.488) 3.468 3.296 ( 8.123 10.608 20.484) 24.456 3.630 ( -0.369 -7.008 -2.626) 7.493 3.807 ( -5.829 -3.072 11.323) 13.101 4.191 ( 6.197 -4.917 -1.553) 8.062 5.039 ( 4.141 4.028 -3.321) 6.663 5.292 ( 1.198 -8.159 10.251) 13.156 5.422 ( -5.728 1.052 2.580) 6.369 5.713 ( -13.190 -13.594 30.528) 35.927 6.020 ( -6.616 -2.204 8.898) 11.305 6.159 ( 2.170 -8.459 13.252) 15.870 6.695 ( 1.593 -4.739 0.516) 5.027 7.224 ( -9.774 2.522 -7.246) 12.426 7.744 ( -7.199 3.119 2.807) 8.332 8.840 ( 4.369 -0.400 3.424) 5.566 9.281 ( -3.316 -16.234 -2.878) 16.818 9.605 ( 4.710 -14.156 6.549) 16.293 9.875 ( 3.889 16.932 6.910) 18.697 10.671 ( 0.962 21.382 0.181) 21.404 11.964 ( -6.384 10.595 -0.054) 12.369 12.142 ( 1.395 0.714 -0.300) 1.595 12.162 ( -1.871 8.889 -9.649) 13.253 13.126 ( 3.418 4.859 -0.766) 5.990 13.461 ( 5.060 -1.298 3.713) 6.409 13.755 ( -5.961 4.640 -3.064) 8.152 15.011 ( -1.941 -12.874 -21.958) 25.528 18.185 ( 6.965 -15.644 11.303) 20.518 18.805 ( -12.890 -8.117 -17.618) 23.290 19.860 ( 4.186 5.047 -6.236) 9.049 19.994 ( -9.329 -3.519 -7.143) 12.266 21.240 ( 5.814 7.045 7.485) 11.809 22.282 ( 10.306 -4.043 5.847) 12.520 23.739 ( -12.249 8.988 -5.806) 16.265 23.917 ( 1.110 0.289 -0.429) 1.225 ======================= Grid point 294 (140/432) ======================= q-point: (-0.09 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 4.979 11.630 15.787) 20.231 2.372 ( 10.924 10.811 18.207) 23.827 3.194 ( 1.535 -6.285 -4.524) 7.895 3.524 ( 4.585 5.671 10.824) 13.051 3.625 ( -1.084 -8.409 -7.250) 11.156 3.942 ( 4.864 -0.501 12.391) 13.321 4.282 ( 4.629 -1.757 -0.973) 5.046 4.946 ( 1.158 10.630 -6.572) 12.551 5.352 ( -3.917 -1.077 0.885) 4.158 5.425 ( -9.458 -0.069 13.924) 16.833 6.008 ( -6.114 0.867 14.140) 15.429 6.116 ( -5.801 -12.364 26.502) 29.814 6.414 ( 1.023 -7.649 9.755) 12.439 6.755 ( -0.826 -4.165 2.766) 5.067 6.964 ( -10.570 -0.739 -7.599) 13.039 7.748 ( -3.104 0.828 10.310) 10.799 8.939 ( 0.380 -1.286 4.503) 4.698 9.311 ( -2.809 -8.903 -1.387) 9.439 9.722 ( -5.238 -1.508 0.475) 5.472 9.945 ( 10.959 11.268 9.592) 18.414 10.597 ( 5.569 3.201 -0.527) 6.445 11.760 ( -7.498 9.155 -4.053) 12.508 11.982 ( 1.108 5.860 -7.203) 9.352 12.175 ( 5.636 -1.361 -3.432) 6.738 13.108 ( 0.888 10.515 3.734) 11.194 13.481 ( -5.393 -3.590 -3.626) 7.424 13.742 ( 6.411 4.493 6.241) 10.012 14.807 ( -5.098 -9.203 -20.524) 23.064 18.413 ( -8.601 -12.831 1.072) 15.484 18.610 ( 5.503 -6.468 -9.365) 12.643 19.633 ( -10.881 12.773 -8.843) 18.967 19.856 ( -9.961 -2.378 -2.528) 10.548 21.403 ( 8.500 -5.902 5.585) 11.759 22.475 ( 12.478 3.498 0.084) 12.960 23.496 ( -4.932 8.452 -3.218) 10.301 23.938 ( 1.775 -1.587 -0.239) 2.393 ======================= Grid point 299 (141/432) ======================= q-point: ( 0.36 -0.64 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -9.237 -0.000 1.762) 9.403 2.389 ( -9.566 -0.000 -3.017) 10.030 2.884 ( -9.062 -0.000 4.073) 9.935 2.923 ( -8.713 -0.000 2.429) 9.045 3.636 ( -2.313 -0.000 3.358) 4.078 3.806 ( 0.013 0.000 -15.306) 15.306 4.284 ( -14.430 -0.000 -4.416) 15.091 4.494 ( -0.030 -0.000 4.101) 4.101 4.629 ( 3.694 0.000 0.006) 3.694 5.212 ( -8.358 -0.000 6.066) 10.327 5.341 ( -9.288 -0.000 -1.170) 9.362 5.869 ( 1.579 0.000 6.014) 6.218 6.261 ( -31.933 -0.000 7.083) 32.709 6.700 ( -7.238 -0.000 -2.957) 7.819 7.738 ( -5.697 -0.000 12.667) 13.889 7.907 ( 0.077 0.000 -7.280) 7.281 8.491 ( -0.482 -0.000 13.198) 13.207 9.127 ( -7.128 -0.000 -5.783) 9.179 9.214 ( -11.623 -0.000 3.049) 12.017 9.707 ( 0.927 0.000 -1.589) 1.839 11.851 ( 8.539 0.000 5.526) 10.171 12.218 ( 9.095 0.000 -5.381) 10.568 12.480 ( -0.734 -0.000 0.319) 0.800 12.667 ( -2.942 -0.000 0.177) 2.947 12.882 ( -12.531 -0.000 7.700) 14.708 13.066 ( -0.689 -0.000 -8.546) 8.574 13.989 ( 14.678 0.000 10.857) 18.257 14.810 ( 14.116 0.000 -10.903) 17.836 17.122 ( -2.332 -0.000 -7.532) 7.885 19.291 ( 15.598 0.000 10.912) 19.036 19.692 ( 10.248 0.000 -9.125) 13.722 20.035 ( 26.846 0.000 8.555) 28.176 21.158 ( -5.899 -0.000 -22.104) 22.878 22.116 ( -19.873 -0.000 2.250) 20.000 24.010 ( -0.300 -0.000 8.474) 8.479 24.220 ( -0.852 -0.000 3.677) 3.775 ======================= Grid point 301 (142/432) ======================= q-point: (-0.55 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -4.441 12.505 8.378) 15.694 2.242 ( -6.090 7.681 5.172) 11.084 2.891 ( -6.456 -8.998 6.173) 12.678 2.893 ( -7.464 -8.032 6.387) 12.690 3.597 ( -3.571 2.263 -1.319) 4.428 3.670 ( 3.656 3.049 -9.046) 10.222 4.108 ( -6.423 0.054 -0.063) 6.423 4.594 ( 0.235 -1.393 10.984) 11.074 4.654 ( 0.137 -5.541 -5.959) 8.138 5.094 ( -16.472 -3.234 7.222) 18.274 5.359 ( -0.021 -1.659 6.888) 7.085 5.944 ( -18.660 0.741 7.461) 20.110 5.965 ( -7.997 -0.821 7.345) 10.890 6.592 ( -4.290 -2.250 -4.227) 6.429 7.723 ( -5.224 8.077 3.325) 10.178 7.889 ( 1.728 -7.724 -3.867) 8.809 8.638 ( -0.723 -1.349 12.603) 12.696 9.015 ( -4.534 -5.301 -4.417) 8.256 9.080 ( -12.572 -0.211 1.461) 12.658 9.751 ( 2.769 1.046 5.419) 6.175 11.956 ( 5.546 9.779 1.367) 11.325 12.174 ( 3.807 15.113 -1.944) 15.706 12.394 ( -1.951 7.939 -1.865) 8.386 12.698 ( -6.641 -6.815 3.631) 10.185 12.850 ( -4.784 -11.545 0.503) 12.507 13.032 ( 3.708 -0.813 -1.487) 4.077 14.215 ( 5.814 0.097 4.179) 7.160 14.866 ( 13.040 -6.371 -14.767) 20.705 17.084 ( 2.307 -0.318 1.490) 2.765 19.558 ( 20.518 1.590 -11.112) 23.388 19.670 ( -0.701 -0.060 -0.683) 0.980 20.525 ( 30.362 1.314 11.110) 32.357 20.810 ( -8.508 0.675 -20.756) 22.443 21.910 ( -18.841 -3.014 5.076) 19.744 24.051 ( -3.739 3.280 5.801) 7.641 24.248 ( -3.059 -3.039 2.761) 5.120 ======================= Grid point 302 (143/432) ======================= q-point: (-0.45 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -2.467 15.767 7.351) 17.570 2.252 ( 0.719 17.987 15.997) 24.083 2.948 ( -4.049 -9.272 4.911) 11.246 3.026 ( -4.483 -14.216 8.247) 17.036 3.510 ( 2.848 9.536 -0.503) 9.965 3.650 ( 1.004 0.164 0.759) 1.269 4.098 ( -0.099 -1.363 1.051) 1.725 4.611 ( -6.928 -8.590 2.267) 11.266 4.777 ( 2.991 -5.784 10.715) 12.539 5.071 ( -8.970 -5.978 9.258) 14.210 5.437 ( -6.816 -2.253 9.804) 12.151 5.815 ( -11.657 -2.249 11.575) 16.581 6.016 ( -1.451 0.753 4.728) 5.003 6.536 ( -0.670 -3.866 -3.886) 5.522 7.602 ( -5.331 8.739 0.828) 10.270 7.930 ( 2.235 -6.821 -5.757) 9.201 8.786 ( -2.611 -5.670 11.212) 12.833 8.928 ( -9.137 -0.035 -1.097) 9.202 9.005 ( -2.559 -7.585 0.430) 8.016 9.872 ( 3.402 1.832 9.783) 10.519 11.799 ( 3.402 32.784 -4.632) 33.284 12.124 ( -0.753 4.281 3.005) 5.284 12.301 ( -1.547 2.262 -3.435) 4.395 12.663 ( -7.674 5.806 7.778) 12.373 12.931 ( 0.879 -18.324 -6.749) 19.547 13.126 ( 6.495 -0.508 4.628) 7.992 14.225 ( -3.268 1.635 -3.568) 5.108 14.903 ( 9.928 -11.242 -17.977) 23.412 17.234 ( 7.307 -3.475 10.871) 13.552 19.401 ( -1.786 -2.432 -26.205) 26.378 19.785 ( 11.441 3.607 0.772) 12.021 20.459 ( -10.312 -0.294 -17.974) 20.725 21.020 ( 28.081 5.970 12.066) 31.141 21.821 ( -12.380 -5.207 9.428) 16.409 24.014 ( -4.212 3.603 2.645) 6.142 24.226 ( -7.434 -2.778 -0.074) 7.936 ======================= Grid point 303 (144/432) ======================= q-point: (-0.36 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 3.853 13.095 9.666) 16.726 2.281 ( 3.028 21.021 12.552) 24.670 3.031 ( -1.341 -7.983 1.803) 8.293 3.185 ( -1.398 -7.548 10.600) 13.088 3.534 ( 5.980 6.260 4.676) 9.839 3.688 ( -1.608 -1.879 5.019) 5.595 4.103 ( 1.203 2.389 1.174) 2.921 4.747 ( -3.229 -13.950 14.706) 20.525 5.003 ( 7.879 -7.243 4.600) 11.649 5.165 ( -7.515 -9.558 15.746) 19.894 5.458 ( -8.821 -0.916 9.887) 13.282 5.900 ( -2.707 -2.736 11.923) 12.529 6.029 ( -2.975 1.052 4.977) 5.893 6.550 ( 2.188 -4.451 -1.903) 5.312 7.461 ( -6.818 6.072 -1.154) 9.203 7.900 ( -1.130 -1.130 -6.781) 6.966 8.830 ( -5.502 -1.999 0.191) 5.857 8.906 ( -4.773 -9.990 6.441) 12.809 9.129 ( 5.333 -9.053 5.733) 11.969 10.012 ( 2.850 4.736 11.119) 12.417 11.473 ( 0.997 35.928 -4.999) 36.288 12.109 ( -3.515 1.375 2.486) 4.520 12.216 ( -1.183 1.378 -5.951) 6.222 12.583 ( -5.512 11.500 4.789) 13.622 13.006 ( 1.706 -14.838 -6.945) 16.472 13.302 ( 8.805 1.865 8.829) 12.608 14.048 ( -9.620 3.154 -7.166) 12.403 14.883 ( 5.308 -13.536 -20.985) 25.530 17.562 ( 9.773 -8.707 15.944) 20.628 19.043 ( -10.087 -4.592 -24.868) 27.226 19.883 ( 12.260 3.255 -5.204) 13.711 20.147 ( -10.856 -2.703 -13.625) 17.630 21.361 ( 13.527 13.251 10.734) 21.767 21.920 ( 3.278 -7.635 9.889) 12.916 23.958 ( -3.710 1.860 0.861) 4.239 24.090 ( -10.516 0.933 -4.365) 11.424 ======================= Grid point 304 (145/432) ======================= q-point: (-0.27 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.418 15.188 8.681) 19.414 2.307 ( 5.934 13.562 12.033) 19.076 3.077 ( -0.042 -6.098 -2.038) 6.429 3.355 ( 0.325 -6.576 7.807) 10.212 3.604 ( 1.465 2.385 3.212) 4.260 3.771 ( 1.632 0.331 9.580) 9.724 4.163 ( 5.658 2.467 5.267) 8.114 5.009 ( -0.314 -8.821 12.721) 15.484 5.178 ( 6.628 -4.943 1.092) 8.340 5.422 ( -1.761 -12.340 18.341) 22.176 5.459 ( -11.437 -2.166 15.804) 19.628 5.998 ( -3.882 -0.230 8.233) 9.105 6.090 ( -0.288 -1.677 11.487) 11.613 6.613 ( 3.078 -4.740 -0.232) 5.656 7.271 ( -10.003 3.079 -7.435) 12.838 7.797 ( -3.454 3.884 -0.997) 5.293 8.825 ( -0.906 -4.334 0.920) 4.522 9.002 ( -3.536 -12.886 3.284) 13.760 9.388 ( 7.580 -11.138 7.745) 15.540 10.111 ( 2.802 10.633 10.946) 15.515 11.132 ( -0.715 31.737 -4.581) 32.074 12.013 ( -13.496 0.147 -0.837) 13.522 12.147 ( 6.165 0.460 -8.316) 10.362 12.429 ( -2.940 16.858 -0.505) 17.120 13.073 ( 1.689 -10.281 -3.270) 10.920 13.501 ( 7.780 5.192 9.097) 13.047 13.814 ( -9.872 2.050 -3.824) 10.784 14.782 ( 0.816 -13.753 -22.751) 26.598 17.952 ( 8.016 -11.549 14.518) 20.210 18.692 ( -9.840 -5.424 -18.863) 21.956 19.897 ( -2.057 -2.971 -12.856) 13.354 19.939 ( -0.726 0.425 -2.808) 2.932 21.419 ( 0.961 12.961 6.138) 14.373 22.219 ( 15.711 -3.912 8.039) 18.077 23.850 ( -10.899 4.372 -5.211) 12.847 23.923 ( -1.548 0.434 -1.541) 2.227 ======================= Grid point 305 (146/432) ======================= q-point: (-0.18 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.742 14.912 7.814) 17.246 2.524 ( 12.742 7.167 14.811) 20.811 3.097 ( 1.490 -4.955 -3.825) 6.435 3.445 ( -0.610 -8.536 -2.836) 9.015 3.605 ( -6.638 -1.587 4.272) 8.052 3.952 ( 13.259 2.223 4.877) 14.301 4.304 ( 6.493 4.591 9.093) 12.080 5.090 ( 1.632 5.518 -1.413) 5.925 5.292 ( -2.300 -5.740 4.226) 7.490 5.449 ( -9.519 2.866 14.327) 17.438 5.837 ( -5.252 -19.551 24.176) 31.533 6.034 ( -3.985 2.229 13.289) 14.051 6.299 ( 3.740 -5.506 13.688) 15.221 6.689 ( 1.583 -3.911 1.358) 4.432 6.981 ( -12.524 2.322 -11.367) 17.072 7.767 ( -0.556 2.122 5.128) 5.578 8.877 ( -1.641 -7.371 1.083) 7.629 9.106 ( -1.394 -12.079 2.658) 12.446 9.628 ( 2.592 -7.643 4.966) 9.476 10.179 ( 5.342 13.759 10.759) 18.265 10.837 ( 0.187 23.362 -3.771) 23.665 11.769 ( -16.574 -2.194 -7.785) 18.443 12.142 ( 7.153 2.182 -7.949) 10.914 12.261 ( 2.342 16.147 -0.270) 16.319 13.143 ( 0.804 -6.439 0.017) 6.489 13.478 ( -9.418 2.930 -2.103) 10.085 13.822 ( 7.502 4.954 9.225) 12.881 14.623 ( -2.051 -12.331 -21.216) 24.625 18.225 ( -3.001 -9.494 5.514) 11.382 18.502 ( 2.865 -6.035 -8.648) 10.928 19.720 ( -5.910 -2.850 -11.256) 13.029 19.871 ( -7.084 4.860 -0.261) 8.595 21.394 ( 2.353 4.648 1.265) 5.361 22.520 ( 16.262 1.808 5.135) 17.149 23.623 ( -5.552 6.487 -5.654) 10.241 23.905 ( -0.879 -2.271 -0.609) 2.510 ======================= Grid point 306 (147/432) ======================= q-point: (-0.09 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.499 5.291 9.710) 11.069 2.783 ( 10.067 7.699 12.689) 17.934 3.123 ( 3.306 -4.453 -3.112) 6.359 3.444 ( 0.970 -7.147 -7.837) 10.651 3.565 ( -9.443 -1.797 4.183) 10.483 4.115 ( 15.448 -0.911 -10.571) 18.741 4.459 ( 7.066 8.234 11.860) 16.075 4.988 ( 0.250 11.389 -3.541) 11.930 5.300 ( -7.119 -1.153 3.452) 7.995 5.478 ( -9.445 1.421 13.971) 16.924 5.956 ( -12.170 -5.915 8.589) 16.028 6.257 ( -5.128 -4.920 9.946) 12.224 6.560 ( 2.853 -2.169 19.414) 19.742 6.718 ( -10.060 -5.597 4.386) 12.319 6.786 ( -0.361 -4.074 2.152) 4.621 7.857 ( 5.035 -0.033 6.083) 7.897 8.891 ( -9.654 -6.297 2.513) 11.797 9.246 ( 1.531 -9.538 4.780) 10.778 9.626 ( -6.858 2.914 -2.197) 7.769 10.296 ( 9.382 8.321 8.714) 15.271 10.717 ( 6.642 10.598 0.349) 12.512 11.461 ( -17.017 -6.184 -12.279) 21.877 12.108 ( 8.578 9.929 -2.418) 13.343 12.253 ( 7.896 4.421 -1.177) 9.126 13.195 ( -0.800 -3.280 1.802) 3.827 13.305 ( -9.997 0.954 -1.540) 10.160 13.967 ( 7.221 6.275 3.802) 10.294 14.478 ( -1.163 -7.901 -12.810) 15.095 18.176 ( -8.162 -4.669 -3.590) 10.065 18.636 ( 10.573 -7.402 -2.613) 13.168 19.498 ( -5.719 9.534 -10.055) 14.990 19.692 ( -14.356 2.727 2.196) 14.777 21.458 ( 5.752 -7.384 -1.798) 9.531 22.711 ( 12.139 8.254 2.988) 14.981 23.488 ( 1.091 5.361 -3.863) 6.698 23.923 ( -0.225 -4.256 0.242) 4.269 ======================= Grid point 312 (148/432) ======================= q-point: ( 0.45 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -4.061 -0.000 3.991) 5.694 2.452 ( 3.806 0.000 19.475) 19.844 2.851 ( -5.696 -0.000 7.223) 9.199 2.854 ( -4.023 -0.000 6.837) 7.933 3.594 ( -0.877 -0.000 2.770) 2.905 3.653 ( 10.643 0.000 -11.284) 15.511 4.083 ( -2.800 -0.000 8.089) 8.560 4.528 ( -8.115 -0.000 -1.549) 8.262 4.737 ( -0.213 -0.000 13.118) 13.120 5.019 ( -5.647 -0.000 7.741) 9.582 5.418 ( -7.367 -0.000 11.381) 13.558 5.796 ( -11.992 -0.000 11.480) 16.601 6.022 ( -1.037 -0.000 4.120) 4.248 6.502 ( -0.320 -0.000 -3.858) 3.871 7.714 ( -6.429 -0.000 -1.786) 6.672 7.837 ( 5.290 0.000 -3.579) 6.387 8.719 ( -8.110 -0.000 10.065) 12.926 8.935 ( 0.393 0.000 -0.897) 0.979 8.951 ( -8.322 -0.000 2.674) 8.741 9.887 ( 3.428 0.000 10.017) 10.587 12.071 ( 2.343 0.000 2.155) 3.183 12.206 ( 2.217 0.000 -7.511) 7.831 12.496 ( -5.613 -0.000 -6.589) 8.656 12.507 ( 1.827 0.000 1.982) 2.695 12.759 ( -8.697 -0.000 6.493) 10.854 13.131 ( 8.445 0.000 4.505) 9.572 14.238 ( -4.234 -0.000 -1.793) 4.598 14.803 ( 10.917 0.000 -18.525) 21.502 17.206 ( 7.184 0.000 9.090) 11.586 19.380 ( -1.752 -0.000 -27.289) 27.345 19.815 ( 10.490 0.000 1.183) 10.556 20.456 ( -10.206 -0.000 -19.237) 21.776 21.074 ( 30.599 0.000 12.891) 33.203 21.776 ( -12.921 -0.000 9.411) 15.985 24.050 ( -7.245 -0.000 4.187) 8.367 24.197 ( -4.379 -0.000 -1.121) 4.520 ======================= Grid point 314 (149/432) ======================= q-point: (-0.45 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.036 5.995 5.972) 8.525 2.618 ( 2.293 17.971 13.406) 22.537 2.919 ( -0.526 -4.308 4.609) 6.331 2.969 ( -0.840 -14.868 9.089) 17.447 3.609 ( -1.307 0.927 2.498) 2.968 3.688 ( 12.249 1.514 -7.025) 14.202 4.193 ( 1.506 6.858 12.270) 14.137 4.514 ( -7.954 -11.600 14.080) 19.901 4.883 ( -1.190 -4.189 10.975) 11.808 5.096 ( 3.022 -1.207 6.578) 7.339 5.450 ( -8.975 -0.180 13.564) 16.266 5.870 ( -1.442 -0.864 12.511) 12.624 6.036 ( -2.251 0.029 3.139) 3.862 6.496 ( 2.377 -1.707 -1.333) 3.215 7.550 ( -8.072 3.380 -5.938) 10.575 7.890 ( 6.681 0.021 -3.766) 7.669 8.656 ( -16.431 -7.619 5.067) 18.807 8.935 ( -0.557 3.669 5.073) 6.285 9.017 ( 4.784 -4.598 5.082) 8.358 10.061 ( 3.576 1.377 12.635) 13.204 12.012 ( 2.397 22.781 -6.624) 23.845 12.129 ( -2.832 1.015 -1.161) 3.225 12.247 ( -3.849 5.366 -7.678) 10.127 12.674 ( -0.139 -17.185 1.506) 17.251 12.731 ( -5.240 0.641 3.666) 6.427 13.337 ( 10.671 1.350 9.768) 14.529 14.079 ( -12.029 0.764 -5.781) 13.368 14.714 ( 7.215 -5.621 -21.665) 23.517 17.468 ( 9.982 -2.639 14.084) 17.463 18.990 ( -8.886 -1.604 -26.397) 27.899 19.921 ( 9.698 1.157 -4.305) 10.673 20.115 ( -10.604 -0.995 -16.217) 19.402 21.560 ( 21.076 9.450 12.310) 26.173 21.792 ( -1.457 -7.085 9.344) 11.816 23.981 ( -7.199 0.786 1.656) 7.428 24.095 ( -6.807 -0.008 -4.368) 8.088 ======================= Grid point 315 (150/432) ======================= q-point: (-0.36 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 9.254 6.303 8.539) 14.081 2.584 ( 0.490 17.606 5.905) 18.577 2.989 ( 1.292 -4.003 0.677) 4.260 3.187 ( 0.554 -11.856 6.613) 13.586 3.586 ( -7.975 -2.797 2.592) 8.840 3.806 ( 17.497 1.691 -4.091) 18.048 4.288 ( 2.843 11.724 15.416) 19.575 4.800 ( -1.728 -14.956 20.950) 25.799 5.035 ( -1.790 -10.109 8.176) 13.124 5.267 ( 5.182 -3.235 10.755) 12.369 5.494 ( -6.313 2.357 11.963) 13.730 6.006 ( -0.864 0.769 11.152) 11.212 6.069 ( -1.038 -1.035 7.637) 7.777 6.546 ( 3.380 -3.028 -0.349) 4.552 7.319 ( -10.295 2.286 -9.431) 14.148 7.889 ( 2.839 6.926 -1.948) 7.735 8.607 ( -12.608 -15.698 3.009) 20.358 8.961 ( -0.169 2.916 5.063) 5.845 9.235 ( 8.244 -7.148 8.237) 13.672 10.236 ( 3.360 4.584 13.477) 14.626 11.673 ( -0.805 30.687 -10.212) 32.352 12.014 ( -13.768 0.157 -1.663) 13.869 12.151 ( 6.168 -0.224 -9.284) 11.149 12.663 ( -3.769 9.932 2.843) 10.997 12.832 ( 0.445 -16.759 -0.213) 16.766 13.587 ( 9.904 4.298 11.554) 15.813 13.823 ( -14.183 -0.626 -4.765) 14.975 14.579 ( 2.852 -9.389 -23.599) 25.558 17.806 ( 9.245 -5.745 15.001) 18.534 18.622 ( -8.159 -2.806 -19.373) 21.208 19.834 ( -8.312 -3.017 -13.132) 15.832 19.961 ( 5.854 1.026 -4.992) 7.761 21.631 ( -2.133 11.092 4.601) 12.197 22.146 ( 19.774 -4.535 10.897) 23.029 23.891 ( -8.133 0.933 -1.205) 8.274 23.935 ( -4.927 0.947 -5.703) 7.596 ======================= Grid point 316 (151/432) ======================= q-point: (-0.27 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 1.080 13.635 1.985) 13.821 2.616 ( 11.094 4.073 11.457) 16.460 3.040 ( 3.484 -1.415 -1.263) 3.967 3.316 ( 1.402 -6.854 0.278) 7.002 3.522 ( -11.933 -6.645 2.997) 13.984 3.985 ( 20.180 0.971 -6.988) 21.377 4.435 ( 5.394 10.505 16.057) 19.932 5.092 ( -0.498 -5.600 12.812) 13.991 5.177 ( -1.668 -8.409 6.266) 10.619 5.498 ( -9.040 -0.779 13.907) 16.605 5.551 ( 0.172 -8.068 16.250) 18.144 6.079 ( -2.887 2.921 11.249) 11.975 6.228 ( 3.131 -3.076 13.181) 13.892 6.623 ( 3.882 -3.871 0.344) 5.493 7.026 ( -11.889 2.628 -12.205) 17.240 7.840 ( -0.056 6.989 2.630) 7.468 8.644 ( -8.469 -18.213 1.079) 20.115 9.007 ( 0.373 -0.995 4.454) 4.579 9.503 ( 7.573 -6.617 8.296) 13.037 10.369 ( 2.540 8.595 12.033) 15.004 11.291 ( -0.929 27.751 -10.045) 29.528 11.752 ( -17.010 1.042 -7.181) 18.492 12.151 ( 7.923 -0.243 -7.409) 10.850 12.537 ( -1.373 14.591 0.079) 14.656 12.958 ( -0.992 -13.927 -0.111) 13.962 13.518 ( -13.561 1.135 -2.741) 13.882 13.900 ( 9.749 3.993 12.950) 16.694 14.413 ( -0.032 -11.842 -22.506) 25.431 18.097 ( 2.486 -5.721 9.558) 11.414 18.417 ( -0.124 -4.002 -8.897) 9.757 19.645 ( -5.486 -4.503 -9.462) 11.828 19.937 ( -0.610 2.461 -3.376) 4.222 21.523 ( -1.888 9.198 -2.344) 9.678 22.535 ( 17.729 0.053 9.980) 20.346 23.712 ( -5.199 4.226 -6.740) 9.504 23.864 ( -3.377 -2.605 -1.542) 4.535 ======================= Grid point 317 (152/432) ======================= q-point: (-0.18 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -6.224 5.509 1.538) 8.453 2.871 ( 8.346 3.136 8.223) 12.128 3.083 ( 5.458 -0.081 0.203) 5.462 3.364 ( 4.232 -2.745 -4.165) 6.542 3.483 ( -10.017 -7.086 5.432) 13.419 4.116 ( 18.885 0.604 -14.577) 23.864 4.603 ( 6.387 8.375 12.645) 16.457 5.141 ( -0.405 6.410 0.130) 6.424 5.268 ( -5.402 -2.769 7.692) 9.799 5.502 ( -10.549 0.919 11.700) 15.780 5.787 ( -11.119 -12.739 15.233) 22.759 6.190 ( -2.599 -2.321 11.966) 12.463 6.483 ( 1.801 -5.125 15.522) 16.445 6.692 ( -4.506 -0.016 0.724) 4.564 6.755 ( -1.291 0.441 -1.718) 2.194 7.868 ( 4.596 1.937 4.150) 6.488 8.689 ( -10.419 -16.589 1.699) 19.663 9.102 ( 2.041 -6.151 4.475) 7.875 9.668 ( 0.205 0.999 3.899) 4.030 10.438 ( 2.455 8.595 7.677) 11.783 10.995 ( 2.995 18.920 -7.412) 20.540 11.414 ( -17.713 2.313 -8.582) 19.817 12.185 ( 9.111 0.884 -5.524) 10.692 12.420 ( 1.633 12.783 0.725) 12.907 13.026 ( -4.127 -12.976 -2.304) 13.810 13.351 ( -8.446 1.313 1.483) 8.675 14.058 ( 2.519 3.327 -1.192) 4.340 14.334 ( 5.805 -8.013 -5.625) 11.382 18.131 ( -4.772 -0.771 -0.464) 4.856 18.506 ( 8.214 -7.744 0.001) 11.289 19.537 ( -0.738 -1.709 -7.270) 7.504 19.804 ( -11.079 7.305 0.263) 13.273 21.417 ( 2.605 2.041 -7.030) 7.770 22.822 ( 12.617 5.069 8.713) 16.150 23.568 ( 1.102 4.142 -6.675) 7.932 23.844 ( -2.895 -5.045 -0.257) 5.823 ======================= Grid point 318 (153/432) ======================= q-point: (-0.09 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -10.078 -4.855 2.621) 11.489 2.901 ( -5.626 -3.512 -0.832) 6.684 3.194 ( 4.362 1.424 2.395) 5.176 3.414 ( 8.514 -0.085 -3.562) 9.230 3.495 ( -3.994 1.263 7.916) 8.956 4.114 ( 11.990 -0.203 -19.479) 22.875 4.728 ( 6.680 7.356 4.221) 10.796 5.060 ( -0.768 8.224 0.156) 8.262 5.235 ( -9.710 3.958 4.268) 11.321 5.480 ( -10.046 -1.472 7.830) 12.821 5.849 ( -13.993 -5.573 11.724) 19.087 6.133 ( -10.294 1.966 -7.426) 12.844 6.578 ( -5.854 -13.212 8.093) 16.563 6.753 ( -1.186 1.275 6.862) 7.079 6.970 ( 2.082 -1.288 28.552) 28.657 8.010 ( 12.429 -0.742 0.175) 12.453 8.680 ( -16.793 -12.256 6.016) 21.642 9.255 ( 1.891 -8.435 4.656) 9.819 9.568 ( -5.517 9.415 -2.448) 11.183 10.475 ( 0.721 5.147 1.559) 5.426 10.883 ( 1.353 -3.815 -8.386) 9.312 11.117 ( -5.649 10.016 -1.449) 11.590 12.247 ( 9.147 1.633 -2.390) 9.594 12.398 ( 3.579 5.907 3.266) 7.639 13.036 ( -3.880 -11.160 -2.393) 12.055 13.302 ( -2.561 3.794 4.427) 6.368 13.929 ( -4.922 -3.097 -12.953) 14.199 14.514 ( 11.633 2.878 7.572) 14.175 18.043 ( -4.514 0.769 -4.772) 6.613 18.660 ( 8.222 -6.104 -2.909) 10.645 19.453 ( -1.187 9.627 -4.120) 10.539 19.584 ( -11.183 4.809 3.027) 12.543 21.406 ( 5.797 -7.305 -8.806) 12.826 22.964 ( 4.582 10.351 7.218) 13.425 23.526 ( 7.558 3.005 -5.246) 9.679 23.872 ( -2.049 -6.954 2.143) 7.560 ======================= Grid point 325 (154/432) ======================= q-point: (-0.45 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 8.018 0.000 7.466) 10.955 2.793 ( -6.188 -0.000 1.737) 6.427 2.962 ( 4.360 0.000 4.226) 6.072 3.022 ( 4.878 0.000 8.368) 9.686 3.558 ( -9.675 -0.000 2.174) 9.916 3.818 ( 20.547 0.000 -9.341) 22.571 4.492 ( 8.297 0.000 14.043) 16.311 4.566 ( -7.535 -0.000 25.898) 26.972 4.945 ( -4.050 -0.000 10.335) 11.100 5.246 ( 6.544 0.000 8.103) 10.415 5.517 ( -5.326 -0.000 12.756) 13.823 6.014 ( 0.536 0.000 13.142) 13.152 6.059 ( -1.067 -0.000 5.298) 5.405 6.519 ( 3.183 0.000 -0.348) 3.202 7.339 ( -10.311 -0.000 -10.542) 14.746 7.974 ( 9.787 0.000 -3.586) 10.423 8.444 ( -19.895 -0.000 6.640) 20.974 9.000 ( -1.358 -0.000 4.214) 4.427 9.165 ( 8.991 0.000 8.777) 12.565 10.273 ( 3.750 0.000 14.191) 14.678 11.989 ( -15.189 -0.000 -9.185) 17.750 12.054 ( 2.350 0.000 -9.943) 10.217 12.126 ( 4.681 0.000 -9.401) 10.502 12.611 ( 0.587 0.000 3.037) 3.094 12.762 ( -4.751 -0.000 7.563) 8.931 13.627 ( 11.983 0.000 13.165) 17.802 13.812 ( -17.335 -0.000 -6.314) 18.449 14.496 ( 3.640 0.000 -23.931) 24.206 17.759 ( 9.721 0.000 14.873) 17.767 18.599 ( -7.580 -0.000 -19.515) 20.935 19.808 ( -8.722 -0.000 -13.652) 16.200 19.969 ( 6.129 0.000 -5.449) 8.201 21.739 ( -5.276 -0.000 2.716) 5.934 22.096 ( 23.419 0.000 13.404) 26.984 23.897 ( -7.192 -0.000 0.240) 7.196 23.945 ( -6.068 -0.000 -7.218) 9.430 ======================= Grid point 327 (155/432) ======================= q-point: (-0.36 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 3.966 6.255 3.232) 8.081 2.659 ( 0.655 0.668 3.431) 3.556 3.058 ( 7.721 3.114 0.973) 8.382 3.210 ( 5.105 -5.435 5.309) 9.154 3.429 ( -14.230 -3.398 1.389) 14.696 3.988 ( 23.136 -0.174 -11.519) 25.845 4.633 ( 4.879 12.217 11.992) 17.800 4.910 ( -1.032 -13.863 21.273) 25.413 5.058 ( -3.813 -3.631 16.039) 16.881 5.422 ( 1.476 -2.000 10.056) 10.359 5.573 ( -5.460 1.868 10.185) 11.706 6.119 ( -1.697 1.393 8.580) 8.857 6.195 ( 2.096 -0.917 14.752) 14.928 6.570 ( 4.855 -1.902 -0.598) 5.249 7.059 ( -11.010 1.093 -12.505) 16.697 7.997 ( 3.935 10.343 -1.082) 11.119 8.348 ( -15.246 -14.857 6.365) 22.219 9.014 ( -1.133 0.767 2.490) 2.841 9.421 ( 9.849 -2.778 10.577) 14.717 10.465 ( 2.363 2.819 12.894) 13.409 11.607 ( -12.817 6.147 -17.448) 22.505 11.888 ( -2.278 15.832 -5.675) 16.972 12.118 ( 5.297 -4.885 -7.963) 10.739 12.674 ( -0.076 -3.767 -0.332) 3.782 12.769 ( -5.357 -1.038 5.837) 7.990 13.522 ( -16.341 -0.165 -3.524) 16.717 13.943 ( 11.704 1.046 14.723) 18.837 14.263 ( 0.413 -4.960 -23.740) 24.257 18.033 ( 5.702 -1.888 11.796) 13.237 18.371 ( -1.889 -1.368 -9.262) 9.551 19.591 ( -4.398 -1.756 -9.735) 10.825 19.960 ( 1.435 0.532 -4.388) 4.647 21.650 ( -3.069 4.577 -4.891) 7.368 22.528 ( 18.045 -0.465 13.795) 22.719 23.770 ( -4.392 2.692 -7.390) 9.009 23.821 ( -5.316 -2.386 -2.103) 6.194 ======================= Grid point 328 (156/432) ======================= q-point: (-0.27 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -13.675 2.913 -3.552) 14.426 2.901 ( 6.248 0.642 5.272) 8.201 3.117 ( 6.021 3.575 1.869) 7.248 3.322 ( 0.628 -3.145 -0.479) 3.242 3.379 ( 0.714 -3.735 5.963) 7.073 4.124 ( 21.412 0.166 -16.751) 27.186 4.722 ( 4.388 5.483 6.512) 9.577 5.173 ( 0.630 -4.309 9.519) 10.468 5.224 ( -4.639 -0.486 15.330) 16.024 5.489 ( -9.480 -2.138 6.694) 11.800 5.634 ( -9.086 -3.691 17.601) 20.149 6.172 ( -3.825 -0.291 7.708) 8.610 6.421 ( 0.088 -2.145 14.747) 14.902 6.670 ( 6.029 -1.922 1.281) 6.456 6.789 ( -5.511 2.340 -5.768) 8.313 7.943 ( -0.543 7.471 4.246) 8.610 8.390 ( -10.416 -17.699 3.333) 20.805 9.037 ( 0.378 -2.149 2.071) 3.008 9.667 ( 6.443 -0.590 8.675) 10.822 10.564 ( 0.133 5.774 7.746) 9.662 11.184 ( -12.906 3.186 -19.219) 23.368 11.634 ( -3.400 22.236 -2.326) 22.615 12.165 ( 8.387 -4.107 -5.896) 11.044 12.610 ( -4.165 8.647 0.129) 9.599 12.800 ( -4.874 -12.626 -0.647) 13.549 13.351 ( -8.450 -0.515 1.986) 8.695 14.032 ( -3.233 -5.590 -17.577) 18.726 14.268 ( 12.766 0.066 11.488) 17.174 18.143 ( -1.670 1.807 2.438) 3.464 18.387 ( 5.526 -6.070 0.861) 8.253 19.504 ( 1.374 -1.684 -4.571) 5.061 19.887 ( -5.629 2.692 -1.846) 6.507 21.490 ( 0.421 5.065 -11.487) 12.562 22.883 ( 12.064 2.219 14.360) 18.886 23.626 ( 1.220 2.759 -8.896) 9.394 23.763 ( -4.983 -4.245 -1.020) 6.625 ======================= Grid point 329 (157/432) ======================= q-point: (-0.18 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -16.918 -3.285 -0.884) 17.257 2.821 ( -14.632 -5.772 -3.400) 16.093 3.243 ( 4.899 4.094 4.240) 7.664 3.404 ( 8.724 0.037 0.204) 8.726 3.526 ( 7.908 1.614 7.611) 11.094 4.121 ( 13.080 0.703 -22.634) 26.151 4.802 ( 3.961 1.350 2.008) 4.642 5.167 ( -4.550 5.016 -0.518) 6.792 5.323 ( -4.259 4.952 9.590) 11.603 5.427 ( -10.289 -4.261 5.588) 12.460 5.752 ( -13.430 -4.782 18.862) 23.644 6.162 ( -7.900 1.050 -2.783) 8.442 6.399 ( -8.649 -7.688 1.794) 11.710 6.778 ( 3.621 1.449 4.859) 6.231 6.960 ( 5.284 -0.074 25.939) 26.472 7.996 ( 6.781 -0.398 3.028) 7.437 8.419 ( -14.253 -16.419 4.414) 22.186 9.118 ( 2.482 -6.709 2.502) 7.578 9.737 ( -2.040 8.495 2.721) 9.150 10.574 ( -0.723 6.171 1.454) 6.381 10.800 ( -11.104 -3.914 -16.495) 20.266 11.414 ( 0.633 21.592 0.531) 21.608 12.252 ( 8.829 -1.227 -3.402) 9.541 12.485 ( -7.756 3.760 2.756) 9.049 12.848 ( 0.721 -10.851 -1.759) 11.017 13.334 ( -1.684 0.876 4.906) 5.260 13.837 ( -5.432 -7.124 -15.378) 17.797 14.563 ( 13.182 2.772 11.827) 17.926 18.075 ( -3.762 2.714 -4.316) 6.336 18.551 ( 8.147 -6.296 2.123) 10.513 19.530 ( 6.224 1.717 -0.720) 6.496 19.711 ( -13.754 7.463 0.858) 15.672 21.347 ( 5.048 -0.207 -14.491) 15.347 23.113 ( 3.502 7.325 13.390) 15.659 23.567 ( 9.014 1.884 -8.963) 12.850 23.749 ( -4.656 -7.215 2.139) 8.850 ======================= Grid point 330 (158/432) ======================= q-point: (-0.09 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -18.565 -9.801 2.036) 21.092 2.650 ( -17.776 -12.809 -1.753) 21.981 3.263 ( 2.670 5.521 -0.207) 6.136 3.474 ( 2.269 3.824 0.862) 4.529 3.680 ( 6.870 6.102 3.141) 9.711 3.959 ( 1.996 -3.209 -19.751) 20.110 4.827 ( 1.421 1.495 -2.298) 3.088 4.988 ( -12.757 2.844 -4.751) 13.907 5.288 ( -0.778 8.312 5.734) 10.128 5.445 ( -4.148 0.378 6.185) 7.457 5.773 ( -13.976 -1.260 10.704) 17.649 5.928 ( -9.849 2.929 -6.361) 12.084 6.514 ( -2.503 -13.233 8.854) 16.118 6.809 ( -3.309 3.976 4.801) 7.058 7.336 ( -1.499 1.255 31.761) 31.821 8.141 ( 13.900 -0.957 -7.411) 15.782 8.422 ( -18.407 -16.988 11.617) 27.611 9.259 ( 2.930 -8.142 3.214) 9.231 9.581 ( -4.044 13.686 -1.734) 14.376 10.323 ( -15.734 -1.532 -13.894) 21.046 10.741 ( 4.451 -1.559 -0.118) 4.718 11.323 ( 6.457 13.016 1.614) 14.619 12.312 ( 5.011 -0.564 -3.271) 6.011 12.442 ( -7.947 -4.612 7.516) 11.871 12.982 ( 9.366 -6.483 0.830) 11.421 13.375 ( 0.992 3.336 5.068) 6.148 13.650 ( -7.654 -5.954 -11.621) 15.136 14.831 ( 14.252 5.638 9.388) 17.973 17.893 ( -4.996 1.921 -13.949) 14.940 18.749 ( 11.115 -1.963 4.127) 12.018 19.429 ( -14.879 10.856 1.467) 18.477 19.626 ( 7.594 3.351 2.083) 8.558 21.293 ( 6.916 -7.000 -14.417) 17.455 23.146 ( -4.886 11.401 8.120) 14.825 23.605 ( 11.515 0.701 -7.076) 13.534 23.835 ( -1.632 -7.556 8.964) 11.837 ======================= Grid point 338 (159/432) ======================= q-point: (-0.36 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -16.964 -0.000 -4.772) 17.622 2.903 ( 5.071 0.000 3.832) 6.356 3.158 ( 3.256 0.000 1.418) 3.551 3.289 ( 1.293 0.000 0.701) 1.470 3.350 ( 6.502 0.000 7.562) 9.972 4.124 ( 22.593 0.000 -17.474) 28.562 4.774 ( 2.735 0.000 -0.579) 2.795 5.107 ( -0.762 -0.000 19.980) 19.994 5.224 ( -1.859 -0.000 17.916) 18.012 5.469 ( -6.596 -0.000 5.196) 8.397 5.615 ( -10.501 -0.000 15.302) 18.559 6.170 ( -4.231 -0.000 5.657) 7.065 6.406 ( -1.054 -0.000 15.175) 15.212 6.650 ( 9.009 0.000 0.783) 9.043 6.810 ( -5.664 -0.000 -6.579) 8.681 8.113 ( 8.173 0.000 -5.015) 9.589 8.131 ( -21.697 -0.000 13.688) 25.653 9.020 ( -0.436 -0.000 0.844) 0.950 9.660 ( 8.449 0.000 10.410) 13.407 10.615 ( 0.005 0.000 7.993) 7.993 11.200 ( -17.241 -0.000 -19.901) 26.330 11.986 ( -1.373 -0.000 -8.396) 8.508 12.002 ( 9.581 0.000 -3.172) 10.092 12.657 ( 0.035 0.000 0.637) 0.638 12.703 ( -11.925 -0.000 1.367) 12.003 13.347 ( -7.916 -0.000 2.465) 8.291 13.968 ( -2.291 -0.000 -20.780) 20.906 14.277 ( 12.375 0.000 14.419) 19.001 18.167 ( 0.134 0.000 4.394) 4.396 18.327 ( 3.828 0.000 0.205) 3.833 19.489 ( 2.472 0.000 -3.902) 4.619 19.907 ( -3.950 -0.000 -2.413) 4.629 21.540 ( 0.027 0.000 -13.335) 13.335 22.901 ( 11.589 0.000 17.028) 20.598 23.656 ( 2.051 0.000 -11.190) 11.376 23.719 ( -6.560 -0.000 -0.062) 6.561 ======================= Grid point 339 (160/432) ======================= q-point: (-0.27 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -21.144 -0.979 -1.404) 21.213 2.733 ( -20.426 -3.474 -5.377) 21.405 3.300 ( 5.097 1.852 5.665) 7.843 3.440 ( 15.987 3.600 1.603) 16.465 3.526 ( 8.066 -1.573 6.964) 10.772 4.131 ( 14.402 0.413 -24.397) 28.333 4.798 ( 1.111 -0.819 0.659) 1.530 5.197 ( -5.443 -1.047 -0.518) 5.567 5.369 ( -2.757 1.265 13.779) 14.109 5.401 ( -7.329 0.850 1.888) 7.616 5.705 ( -13.406 -1.121 25.025) 28.412 6.164 ( -4.761 -0.450 3.227) 5.769 6.322 ( -12.754 -1.880 -6.094) 14.260 6.796 ( 9.322 0.533 2.140) 9.579 6.962 ( 6.362 0.121 24.232) 25.054 8.010 ( -12.398 2.006 11.830) 17.253 8.192 ( -1.653 -9.098 -1.509) 9.369 9.041 ( 1.545 -2.348 0.503) 2.855 9.832 ( 2.694 2.782 6.504) 7.570 10.667 ( -1.107 4.401 0.729) 4.597 10.747 ( -14.244 -2.769 -17.115) 22.439 11.765 ( -1.605 16.970 -6.393) 18.205 12.182 ( 10.242 -6.894 -1.470) 12.433 12.526 ( -15.061 1.565 2.333) 15.321 12.699 ( 2.002 -5.755 1.027) 6.179 13.349 ( -0.136 0.878 5.385) 5.458 13.728 ( -3.900 -4.371 -16.899) 17.885 14.598 ( 12.785 1.111 13.514) 18.636 18.118 ( -4.004 1.856 -5.729) 7.231 18.467 ( 8.377 -3.058 6.338) 10.941 19.548 ( 7.251 0.556 1.915) 7.520 19.792 ( -10.357 2.204 -0.361) 10.595 21.367 ( 4.198 1.329 -18.961) 19.466 23.204 ( 2.663 3.103 19.763) 20.182 23.589 ( 10.060 0.700 -11.888) 15.589 23.651 ( -6.633 -3.690 0.932) 7.647 ======================= Grid point 340 (161/432) ======================= q-point: (-0.18 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -23.412 -4.374 4.292) 24.201 2.438 ( -24.214 -11.057 -3.785) 26.887 3.366 ( 4.769 5.545 0.920) 7.371 3.555 ( 4.050 5.905 3.284) 7.878 3.735 ( 8.885 0.356 2.800) 9.323 3.923 ( 0.045 -1.189 -24.555) 24.584 4.816 ( -0.625 -1.439 -0.981) 1.850 5.016 ( -14.239 -0.496 -6.024) 15.469 5.376 ( 0.678 3.091 4.891) 5.826 5.457 ( -1.364 0.680 7.172) 7.332 5.774 ( -13.287 1.374 14.346) 19.602 5.996 ( -9.731 5.167 -4.810) 12.022 6.309 ( -2.534 -10.879 7.733) 13.586 6.886 ( 3.017 4.515 2.105) 5.824 7.352 ( 1.581 0.633 31.331) 31.377 8.060 ( -7.029 -11.659 11.374) 17.740 8.187 ( -3.860 -4.938 -3.113) 6.998 9.121 ( 3.998 -6.677 0.784) 7.822 9.812 ( -2.995 11.221 1.521) 11.713 10.284 ( -15.984 -1.837 -18.376) 24.424 10.776 ( 7.036 3.095 3.480) 8.438 11.554 ( -0.228 12.733 -5.103) 13.719 12.297 ( 6.206 -2.015 -4.046) 7.678 12.381 ( -15.018 -0.740 8.252) 17.151 12.857 ( 8.328 -8.372 4.305) 12.569 13.416 ( 2.359 2.037 4.426) 5.413 13.545 ( -5.228 -5.805 -11.740) 14.102 14.902 ( 14.134 2.751 11.379) 18.352 17.923 ( -4.838 1.455 -15.143) 15.964 18.712 ( 11.626 -1.916 9.054) 14.860 19.584 ( -15.164 6.608 0.153) 16.542 19.678 ( 8.121 2.592 4.177) 9.492 21.218 ( 7.605 -2.240 -19.799) 21.327 23.315 ( -5.280 8.693 11.172) 15.108 23.598 ( 5.550 -2.032 -7.813) 9.797 23.719 ( 4.089 -5.233 9.575) 11.653 ======================= Grid point 341 (162/432) ======================= q-point: (-0.09 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -24.504 -8.133 8.030) 27.038 2.236 ( -22.741 -18.615 0.207) 29.389 3.331 ( -4.196 5.048 -8.326) 10.603 3.465 ( -4.340 3.334 -7.073) 8.943 3.643 ( -2.654 2.047 -4.275) 5.432 3.862 ( -1.603 0.898 2.400) 3.022 4.738 ( -7.933 -0.668 -6.553) 10.311 4.801 ( -8.064 1.261 -1.273) 8.261 5.440 ( 3.917 6.863 4.649) 9.169 5.505 ( 2.786 1.921 3.273) 4.708 5.655 ( -13.310 -0.140 1.278) 13.372 5.859 ( -6.250 6.800 4.270) 10.175 6.488 ( 0.030 -11.423 7.219) 13.512 6.848 ( -5.682 7.372 3.966) 10.117 7.649 ( -7.376 3.473 27.142) 28.340 8.112 ( -10.754 -5.026 1.177) 11.929 8.266 ( 5.303 -16.415 3.560) 17.613 9.278 ( 6.784 -9.283 2.019) 11.674 9.639 ( -3.905 16.047 -1.741) 16.607 9.948 ( -10.868 -3.716 -12.023) 16.628 10.851 ( 4.673 7.557 1.700) 9.046 11.452 ( 3.135 3.767 -2.990) 5.741 12.287 ( -3.761 -1.197 -0.561) 3.987 12.377 ( -6.445 -6.151 9.195) 12.803 13.113 ( 12.852 -6.203 1.791) 14.383 13.380 ( -7.899 -6.841 -3.676) 11.077 13.511 ( 4.184 3.672 3.685) 6.676 15.174 ( 15.693 5.551 7.538) 18.273 17.626 ( -5.145 1.355 -22.502) 23.123 18.996 ( 13.667 0.660 9.867) 16.870 19.319 ( -14.974 6.821 0.602) 16.465 19.808 ( 8.936 3.833 3.616) 10.374 21.142 ( 7.614 -6.541 -17.790) 20.427 23.225 ( -9.240 12.123 5.394) 16.169 23.621 ( 6.573 -4.476 -6.321) 10.159 23.969 ( 3.229 -2.105 17.929) 18.338 ======================= Grid point 350 (163/432) ======================= q-point: (-0.27 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -25.186 -0.000 6.176) 25.932 2.334 ( -26.929 -0.000 -5.400) 27.465 3.416 ( 6.172 0.000 1.174) 6.283 3.636 ( 0.539 0.000 5.393) 5.420 3.713 ( 13.396 0.000 2.385) 13.607 3.914 ( -0.932 -0.000 -27.509) 27.524 4.803 ( -1.105 -0.000 1.043) 1.519 5.000 ( -14.367 -0.000 -6.759) 15.877 5.406 ( 1.726 0.000 3.588) 3.982 5.461 ( -1.333 -0.000 7.347) 7.467 5.792 ( -13.539 -0.000 14.572) 19.891 6.073 ( -10.773 -0.000 -2.064) 10.969 6.182 ( -1.120 -0.000 6.398) 6.495 6.931 ( 8.468 0.000 -0.364) 8.476 7.357 ( 2.274 0.000 31.469) 31.551 7.929 ( -23.027 -0.000 17.871) 29.149 8.164 ( 6.326 0.000 -6.645) 9.175 9.062 ( 3.516 0.000 -0.401) 3.539 9.912 ( -1.140 -0.000 3.243) 3.438 10.270 ( -15.700 -0.000 -19.637) 25.141 10.805 ( 7.595 0.000 4.231) 8.694 11.675 ( -4.763 -0.000 -10.076) 11.145 12.269 ( 7.586 0.000 -2.820) 8.093 12.399 ( -14.511 -0.000 8.650) 16.893 12.760 ( 4.766 0.000 6.918) 8.401 13.446 ( 3.718 0.000 5.240) 6.425 13.481 ( -4.058 -0.000 -13.525) 14.121 14.924 ( 13.928 0.000 12.076) 18.434 17.937 ( -4.828 -0.000 -15.871) 16.590 18.695 ( 11.594 0.000 11.083) 16.039 19.639 ( -14.466 -0.000 -0.104) 14.466 19.702 ( 8.262 0.000 5.210) 9.767 21.203 ( 7.637 0.000 -22.548) 23.806 23.409 ( -2.943 -0.000 11.505) 11.875 23.555 ( -7.832 -0.000 2.001) 8.084 23.679 ( 14.842 0.000 0.891) 14.869 ======================= Grid point 351 (164/432) ======================= q-point: (-0.18 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -27.156 -0.018 14.004) 30.554 1.963 ( -28.246 -11.174 -1.724) 30.425 3.389 ( -16.835 1.667 -23.446) 28.912 3.502 ( 3.705 0.950 -0.670) 3.883 3.715 ( -2.383 5.344 3.246) 6.691 3.851 ( 1.188 -2.406 1.386) 3.020 4.737 ( -9.742 0.753 -5.323) 11.127 4.790 ( -5.558 -1.835 -0.852) 5.915 5.507 ( 5.515 1.087 5.661) 7.977 5.533 ( 3.290 1.759 3.770) 5.304 5.652 ( -14.444 -0.143 -0.484) 14.453 5.986 ( -6.231 6.426 5.840) 10.688 6.314 ( 1.567 -7.680 8.194) 11.340 6.978 ( 3.442 6.077 -1.373) 7.118 7.691 ( -4.937 1.330 26.868) 27.351 7.888 ( -23.422 -12.245 19.412) 32.793 8.170 ( 7.508 -0.589 -6.928) 10.233 9.140 ( 6.714 -5.010 -0.191) 8.380 9.867 ( -4.132 8.112 -3.569) 9.779 9.913 ( -7.399 -0.704 -11.149) 13.399 10.951 ( 8.747 3.214 3.302) 9.886 11.497 ( -3.446 1.089 -8.328) 9.078 12.289 ( 3.193 -0.398 -5.404) 6.289 12.349 ( -13.211 3.161 16.939) 21.713 12.966 ( 6.486 -8.570 8.322) 13.593 13.301 ( -4.822 -2.091 -9.400) 10.770 13.554 ( 5.054 1.280 4.013) 6.580 15.234 ( 15.502 1.742 9.151) 18.086 17.642 ( -4.643 0.530 -23.595) 24.053 18.995 ( 13.075 -0.234 12.084) 17.805 19.414 ( -15.884 3.309 -1.719) 16.316 19.858 ( 6.975 1.770 5.411) 9.004 21.066 ( 9.195 -2.308 -21.082) 23.115 23.403 ( -4.900 9.013 3.828) 10.950 23.531 ( 0.700 -6.333 -1.792) 6.619 23.945 ( 6.266 -0.739 18.239) 19.299 ======================= Grid point 352 (165/432) ======================= q-point: (-0.09 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -28.354 -2.631 13.617) 31.564 1.786 ( -25.162 -19.729 5.300) 32.410 2.814 ( -32.399 -7.015 -17.357) 37.419 3.555 ( 4.568 4.817 2.708) 7.169 3.655 ( -5.042 6.717 3.233) 9.000 3.828 ( -6.607 0.326 0.909) 6.677 4.597 ( -4.780 1.559 -1.269) 5.185 4.713 ( -5.067 -0.077 -1.314) 5.235 5.478 ( -9.966 0.489 2.678) 10.331 5.613 ( 4.092 3.743 2.935) 6.274 5.645 ( 6.263 2.067 5.244) 8.426 5.868 ( -6.832 7.830 -1.965) 10.576 6.495 ( 3.132 -7.589 4.647) 9.434 6.888 ( -6.281 12.103 3.140) 13.992 7.753 ( -15.482 -1.856 10.098) 18.577 7.974 ( -13.542 -6.014 18.237) 23.498 8.275 ( 10.605 -11.065 -1.601) 15.410 9.329 ( 11.029 -10.207 1.085) 15.067 9.648 ( -3.028 6.733 -7.964) 10.859 9.784 ( -3.243 6.649 -1.404) 7.530 11.002 ( 3.477 12.204 -0.076) 12.689 11.409 ( -0.665 -5.668 -4.341) 7.171 12.233 ( -5.093 3.923 1.129) 6.527 12.403 ( -5.880 -0.301 13.775) 14.980 13.131 ( 0.281 -0.499 -9.326) 9.343 13.296 ( 3.735 -17.499 11.733) 21.397 13.644 ( 5.283 2.526 2.708) 6.451 15.493 ( 16.073 4.643 3.907) 17.180 17.285 ( -5.831 0.159 -23.326) 24.045 19.165 ( -12.411 2.559 -3.076) 13.040 19.306 ( 13.343 -0.198 11.264) 17.463 19.980 ( 6.153 2.164 4.048) 7.677 20.986 ( 8.027 -4.425 -17.861) 20.076 23.255 ( -10.839 13.455 4.357) 17.819 23.602 ( 7.436 -5.498 -4.555) 10.309 24.250 ( 2.357 1.250 23.992) 24.140 ======================= Grid point 362 (166/432) ======================= q-point: (-0.18 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -27.851 -0.000 22.513) 35.812 1.511 ( -30.032 -0.000 1.200) 30.056 2.758 ( -35.471 -0.000 -19.592) 40.522 3.594 ( 5.201 0.000 1.368) 5.378 3.732 ( -6.937 -0.000 5.200) 8.670 3.816 ( -5.180 -0.000 0.280) 5.188 4.615 ( -3.261 -0.000 1.253) 3.493 4.705 ( -5.224 -0.000 -2.760) 5.908 5.480 ( -11.370 -0.000 2.688) 11.683 5.642 ( 4.050 0.000 5.851) 7.116 5.665 ( 7.333 0.000 3.450) 8.104 5.949 ( -6.959 -0.000 -3.515) 7.796 6.415 ( 4.616 0.000 6.751) 8.178 7.035 ( 4.609 0.000 -3.392) 5.723 7.673 ( -19.811 -0.000 8.734) 21.650 7.927 ( -16.600 -0.000 31.222) 35.361 8.190 ( 7.940 0.000 -5.293) 9.542 9.231 ( 10.497 0.000 0.718) 10.522 9.683 ( 0.120 0.000 -12.904) 12.904 9.885 ( -3.531 -0.000 0.672) 3.594 11.110 ( 8.213 0.000 1.487) 8.346 11.346 ( -4.922 -0.000 -7.370) 8.863 12.276 ( 4.520 0.000 -4.823) 6.610 12.465 ( -10.979 -0.000 26.198) 28.406 13.055 ( 2.585 0.000 3.296) 4.189 13.149 ( -4.792 -0.000 -3.693) 6.050 13.667 ( 5.280 0.000 2.613) 5.891 15.532 ( 15.751 0.000 5.089) 16.553 17.287 ( -5.732 -0.000 -24.523) 25.184 19.185 ( -14.663 -0.000 -2.794) 14.926 19.309 ( 13.325 0.000 9.443) 16.332 19.999 ( 4.193 0.000 5.030) 6.548 20.948 ( 9.530 0.000 -18.583) 20.884 23.399 ( -9.880 -0.000 4.512) 10.861 23.529 ( 8.965 0.000 -3.887) 9.772 24.261 ( 3.157 0.000 25.837) 26.029 ======================= Grid point 363 (167/432) ======================= q-point: (-0.09 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -28.092 -2.825 10.868) 30.253 1.391 ( -30.100 -8.322 5.625) 31.732 2.161 ( -42.764 -8.617 8.894) 44.522 3.611 ( -2.781 3.570 -1.884) 4.902 3.692 ( -4.133 0.607 3.606) 5.518 3.770 ( -3.354 1.907 4.646) 6.039 4.571 ( -4.657 3.830 -3.663) 7.055 4.684 ( 0.830 -1.601 8.265) 8.460 5.449 ( -3.740 0.177 9.390) 10.109 5.709 ( -8.017 4.343 -6.744) 11.341 5.740 ( 1.421 2.780 -2.563) 4.039 5.783 ( 4.116 -0.169 1.965) 4.564 6.549 ( 5.967 -2.282 1.334) 6.527 6.981 ( -2.704 16.220 2.546) 16.640 7.558 ( -18.391 -8.344 8.461) 21.896 8.036 ( -8.278 1.545 15.817) 17.919 8.304 ( 10.277 -10.392 -1.458) 14.688 9.415 ( 11.171 -7.064 0.479) 13.226 9.570 ( 3.469 1.184 -10.311) 10.943 9.812 ( -3.882 6.948 1.443) 8.089 11.094 ( -4.202 13.298 -6.093) 15.219 11.285 ( 0.474 -10.967 -2.070) 11.171 12.270 ( 2.427 8.063 -1.036) 8.484 12.529 ( -10.086 14.816 13.689) 22.553 13.026 ( -1.092 -2.363 -5.674) 6.243 13.275 ( 3.055 -25.936 5.265) 26.641 13.744 ( 4.337 1.433 0.712) 4.623 15.739 ( 13.799 2.944 -1.423) 14.182 17.050 ( -2.340 -0.370 2.038) 3.125 18.967 ( -9.193 -2.204 -6.348) 11.387 19.585 ( 10.870 -0.241 9.564) 14.481 20.088 ( 2.393 -0.019 3.268) 4.050 20.875 ( 8.776 -1.174 -16.112) 18.385 23.276 ( -11.210 11.603 5.879) 17.171 23.625 ( 10.019 -3.473 -4.487) 11.514 24.586 ( 3.523 3.951 21.344) 21.990 ======================= Grid point 374 (168/432) ======================= q-point: (-0.09 -0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -35.232 -0.000 -2.216) 35.301 0.964 ( -24.448 -0.000 15.739) 29.076 1.932 ( -38.374 -0.000 45.225) 59.312 3.537 ( -5.524 -0.000 -2.429) 6.034 3.647 ( -4.182 -0.000 1.449) 4.425 3.851 ( 0.575 0.000 6.351) 6.377 4.471 ( -2.779 -0.000 -5.732) 6.370 4.855 ( 2.591 0.000 15.404) 15.620 5.360 ( -9.829 -0.000 -20.092) 22.367 5.634 ( 3.502 0.000 13.412) 13.861 5.807 ( 1.053 0.000 -4.166) 4.297 5.824 ( 1.616 0.000 7.788) 7.954 6.632 ( 7.118 0.000 -0.632) 7.146 7.092 ( 1.209 0.000 -0.030) 1.209 7.402 ( -17.726 -0.000 13.994) 22.584 8.047 ( -6.829 -0.000 -5.567) 8.811 8.367 ( 9.198 0.000 0.985) 9.250 9.452 ( 1.383 0.000 -5.148) 5.331 9.582 ( 12.328 0.000 -2.759) 12.633 9.824 ( -2.463 -0.000 3.438) 4.229 10.847 ( -26.768 -0.000 -12.633) 29.599 11.252 ( 3.958 0.000 -2.539) 4.702 12.348 ( 4.926 0.000 -2.730) 5.632 12.548 ( -13.694 -0.000 -6.949) 15.356 12.866 ( -2.655 -0.000 -7.865) 8.301 13.185 ( -2.020 -0.000 5.177) 5.558 13.791 ( 2.772 0.000 -1.590) 3.195 15.851 ( 9.114 0.000 -7.851) 12.030 17.547 ( 34.888 0.000 49.970) 60.944 18.770 ( -5.031 -0.000 -7.949) 9.407 19.796 ( 5.199 0.000 7.962) 9.509 20.115 ( -0.814 -0.000 -0.210) 0.841 20.819 ( 10.626 0.000 -14.409) 17.904 23.278 ( -9.541 -0.000 7.678) 12.247 23.692 ( 9.855 0.000 -4.448) 10.813 24.720 ( -7.795 -0.000 -10.092) 12.751 ======================= Grid point 375 (169/432) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -4.073 -0.000 28.640) 28.928 1.888 ( 7.057 0.000 21.882) 22.992 3.117 ( -5.914 -0.000 31.999) 32.541 3.312 ( -0.926 -0.000 -4.867) 4.955 3.823 ( 4.099 0.000 2.797) 4.963 3.894 ( 1.743 0.000 -8.144) 8.328 4.408 ( 0.510 0.000 2.330) 2.385 4.662 ( 4.089 0.000 -15.821) 16.341 5.439 ( -2.239 -0.000 -2.011) 3.010 5.553 ( -7.641 -0.000 17.241) 18.859 6.196 ( -2.308 -0.000 15.374) 15.547 6.429 ( -6.513 -0.000 16.740) 17.962 6.764 ( 0.709 0.000 -7.856) 7.888 6.839 ( -3.211 -0.000 1.236) 3.441 7.186 ( -10.085 -0.000 2.093) 10.300 7.991 ( -16.289 -0.000 32.291) 36.167 8.939 ( 3.891 0.000 12.701) 13.283 9.186 ( 3.809 0.000 -0.766) 3.886 9.644 ( -11.866 -0.000 -2.931) 12.223 9.961 ( -0.115 -0.000 -1.358) 1.363 10.541 ( 16.913 0.000 10.414) 19.862 11.080 ( 0.689 0.000 -8.865) 8.892 11.966 ( -0.325 -0.000 -13.361) 13.365 12.555 ( -4.549 -0.000 -6.845) 8.219 12.653 ( -1.718 -0.000 14.247) 14.350 13.402 ( 8.443 0.000 1.577) 8.589 13.662 ( -1.117 -0.000 -4.145) 4.292 15.177 ( -1.990 -0.000 -22.151) 22.240 18.451 ( 8.757 0.000 -8.528) 12.224 19.396 ( -13.125 -0.000 -13.456) 18.797 19.647 ( -17.053 -0.000 -3.893) 17.492 19.719 ( 20.536 0.000 -3.419) 20.818 21.078 ( 25.826 0.000 5.136) 26.331 22.880 ( -36.731 -0.000 -7.011) 37.394 23.393 ( -7.859 -0.000 5.643) 9.675 23.808 ( 7.611 0.000 -3.284) 8.290 ======================= Grid point 376 (170/432) ======================= q-point: ( 0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.475 -2.394 28.625) 28.729 2.208 ( 6.900 -3.072 17.471) 19.033 3.250 ( 1.950 2.093 -5.698) 6.376 3.410 ( 1.512 -3.484 16.073) 16.515 3.768 ( 0.792 6.189 -9.487) 11.355 3.924 ( 3.746 -3.961 1.537) 5.664 4.363 ( -0.247 7.525 -4.119) 8.582 4.579 ( 1.501 -9.635 -10.196) 14.108 5.448 ( -0.578 0.830 6.325) 6.406 5.627 ( -9.692 -1.157 14.454) 17.441 6.259 ( -9.308 0.405 8.589) 12.672 6.587 ( -5.635 1.836 3.516) 6.891 6.596 ( -7.424 1.851 17.884) 19.452 6.869 ( 1.198 2.345 3.346) 4.258 7.126 ( -6.021 1.436 4.860) 7.870 8.143 ( -15.748 4.289 30.413) 34.516 9.038 ( -1.738 4.483 6.615) 8.178 9.389 ( 8.834 -9.220 9.915) 16.167 9.494 ( -5.964 -3.190 -2.644) 7.262 9.916 ( -0.879 0.938 -3.189) 3.438 10.748 ( 11.589 21.281 2.009) 24.315 11.152 ( 7.593 -25.336 -1.475) 26.490 11.846 ( 4.864 -0.186 -13.142) 14.015 12.346 ( -5.418 8.434 -8.606) 13.212 12.837 ( -1.655 -10.300 11.225) 15.324 13.541 ( 8.851 0.773 0.192) 8.887 13.601 ( -0.947 -1.446 -2.459) 3.005 14.871 ( -4.955 3.143 -19.718) 20.573 18.485 ( 12.075 1.556 -8.130) 14.640 18.925 ( -18.400 10.534 -16.069) 26.603 19.425 ( -16.807 -9.025 -3.394) 19.376 19.874 ( 5.281 -0.414 -2.980) 6.078 21.481 ( 22.615 2.988 9.964) 24.893 22.421 ( -17.903 2.452 -6.503) 19.205 23.378 ( -6.378 -4.997 2.421) 8.456 23.875 ( 7.284 -0.296 -2.511) 7.710 ======================= Grid point 377 (171/432) ======================= q-point: ( 0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.388 1.568 23.305) 23.479 2.555 ( 9.433 -8.017 16.092) 20.302 3.183 ( 2.503 4.691 -6.223) 8.185 3.529 ( -1.524 -4.493 -1.329) 4.927 3.591 ( -0.508 6.910 -9.689) 11.911 4.001 ( 5.368 -0.638 -6.096) 8.147 4.292 ( 2.544 0.231 -0.465) 2.596 4.614 ( 1.339 -12.738 -3.183) 13.198 5.502 ( -5.192 3.177 9.709) 11.460 5.670 ( -10.453 -2.557 13.190) 17.023 6.203 ( -10.537 0.168 5.566) 11.918 6.395 ( -10.262 -0.787 -6.261) 12.047 6.802 ( -2.778 2.787 13.008) 13.591 6.917 ( 1.696 3.137 8.507) 9.224 7.161 ( -4.962 4.656 21.634) 22.679 8.170 ( -13.966 12.677 19.639) 27.229 9.019 ( -9.519 -5.682 3.577) 11.649 9.425 ( -6.232 -1.832 2.582) 6.990 9.674 ( 5.436 2.777 3.929) 7.260 9.971 ( 10.707 -7.624 6.655) 14.733 10.669 ( 2.500 8.998 -4.445) 10.343 11.494 ( 9.413 -12.515 3.262) 15.996 11.751 ( 5.940 0.827 -13.270) 14.562 12.148 ( 2.948 6.542 -7.563) 10.425 13.026 ( -2.142 -13.329 7.781) 15.582 13.493 ( -4.448 4.130 -1.026) 6.156 13.719 ( 10.026 -4.435 -1.502) 11.065 14.568 ( -4.822 4.837 -14.282) 15.831 18.434 ( -11.063 8.213 -13.672) 19.411 18.561 ( 8.679 1.380 -7.583) 11.607 19.274 ( -13.120 -9.555 -2.056) 16.360 19.819 ( -8.261 -0.145 -1.589) 8.413 21.734 ( 7.450 15.036 6.387) 17.955 22.293 ( 6.622 -10.819 -4.443) 13.440 23.366 ( -3.113 -3.979 0.138) 5.054 23.938 ( 5.949 0.577 -1.431) 6.146 ======================= Grid point 378 (172/432) ======================= q-point: ( 0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -1.087 5.749 14.819) 15.932 2.909 ( 6.750 -5.298 12.230) 14.940 3.122 ( 4.689 1.979 -3.383) 6.111 3.383 ( -1.003 6.508 -8.907) 11.077 3.517 ( -3.927 -6.035 -5.476) 9.046 3.941 ( 4.696 3.308 -10.143) 11.657 4.388 ( 7.187 -9.000 -3.614) 12.071 4.751 ( 2.458 -13.501 2.572) 13.962 5.452 ( -13.146 3.843 7.249) 15.496 5.683 ( -11.095 -2.052 8.611) 14.194 6.117 ( -10.943 -0.460 3.206) 11.412 6.191 ( -12.103 -0.512 -4.079) 12.782 6.822 ( -1.238 2.035 2.822) 3.693 6.993 ( 0.030 5.305 6.918) 8.718 7.414 ( -5.208 5.672 36.822) 37.619 8.060 ( -5.168 12.641 3.926) 14.209 8.978 ( -18.621 -13.034 6.906) 23.755 9.396 ( -4.939 -1.385 2.777) 5.833 9.645 ( 1.268 13.206 1.062) 13.309 10.326 ( 10.617 -4.998 6.444) 13.387 10.636 ( 3.561 -6.875 0.087) 7.743 11.362 ( -4.683 15.195 -12.459) 20.200 11.955 ( 17.347 -7.187 2.686) 18.968 12.161 ( 11.798 -0.638 -3.412) 12.298 13.169 ( -3.148 -12.461 3.552) 13.335 13.372 ( -6.740 7.735 1.857) 10.426 13.817 ( 3.612 -5.176 -7.191) 9.568 14.395 ( 2.937 1.595 -5.158) 6.146 18.096 ( -9.819 2.480 -11.967) 15.677 18.596 ( 7.866 0.385 -5.732) 9.740 19.216 ( -3.875 -7.204 -0.285) 8.185 19.671 ( -13.804 -2.409 0.633) 14.027 21.622 ( 1.609 16.421 -6.757) 17.830 22.574 ( 12.524 -13.606 5.773) 19.372 23.375 ( 1.969 -2.228 -1.580) 3.367 23.985 ( 4.084 2.173 0.388) 4.642 ======================= Grid point 379 (173/432) ======================= q-point: (-0.64 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -10.809 9.850 6.877) 16.160 2.991 ( -3.464 3.615 1.865) 5.343 3.186 ( 0.804 1.995 -1.722) 2.755 3.336 ( 7.687 -2.318 -1.662) 8.199 3.460 ( -3.430 -8.758 -2.715) 9.790 3.874 ( 6.719 3.499 -8.431) 11.334 4.521 ( 8.676 -11.029 -6.075) 15.291 4.926 ( 1.413 -11.894 2.365) 12.208 5.275 ( -18.421 0.859 2.932) 18.672 5.605 ( -12.577 -0.861 3.177) 13.000 5.981 ( -11.750 -0.363 -0.597) 11.771 6.033 ( -11.939 -0.113 2.704) 12.242 6.814 ( -2.480 1.182 1.509) 3.134 6.996 ( -2.393 9.497 7.874) 12.567 7.718 ( -7.082 3.463 34.720) 35.603 7.962 ( 5.331 5.611 -7.024) 10.452 8.910 ( -22.132 -11.275 9.563) 26.616 9.384 ( -4.652 0.062 4.507) 6.477 9.556 ( 0.840 11.240 0.135) 11.272 10.315 ( -10.410 -5.741 -8.297) 14.498 10.920 ( 13.659 -3.671 6.371) 15.513 11.069 ( 2.783 17.440 -4.322) 18.182 12.153 ( 12.993 0.055 -6.313) 14.445 12.420 ( 16.141 -4.638 8.651) 18.891 13.190 ( -5.618 4.079 1.009) 7.015 13.293 ( -3.801 -3.228 4.071) 6.437 13.720 ( -5.176 -1.386 -9.144) 10.598 14.510 ( 12.418 -7.374 -0.069) 14.442 17.824 ( -8.889 -1.079 -14.774) 17.276 18.661 ( 6.695 -0.984 2.313) 7.152 19.280 ( 2.967 -6.740 0.659) 7.393 19.544 ( -10.866 -4.444 1.428) 11.826 21.407 ( 3.406 14.639 -12.824) 19.757 22.883 ( 2.683 -14.257 7.965) 16.550 23.427 ( 9.388 0.965 -2.696) 9.815 24.026 ( 2.481 3.180 4.045) 5.712 ======================= Grid point 380 (174/432) ======================= q-point: (-0.55 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -17.574 10.407 7.388) 21.719 2.819 ( -13.858 8.206 -3.007) 16.383 3.185 ( 2.043 -3.153 0.250) 3.765 3.376 ( -0.158 -2.042 -1.807) 2.731 3.506 ( 2.188 -5.052 -4.395) 7.045 3.881 ( 4.682 0.608 -0.843) 4.796 4.636 ( 6.068 -9.096 -6.583) 12.763 4.879 ( -13.933 2.770 -3.972) 14.750 5.201 ( -5.738 -14.895 3.997) 16.455 5.492 ( -8.330 -2.367 1.275) 8.753 5.836 ( -11.803 0.463 1.269) 11.880 5.921 ( -10.466 -0.352 3.771) 11.130 6.757 ( -5.615 2.055 0.157) 5.981 6.978 ( -2.634 8.107 7.796) 11.551 7.910 ( 7.157 0.565 -4.640) 8.548 7.974 ( -7.514 0.589 20.018) 21.390 8.812 ( -19.812 -3.352 9.771) 22.343 9.375 ( -6.812 -2.752 5.454) 9.150 9.501 ( 3.061 8.021 -0.095) 8.585 10.080 ( -13.680 -4.773 -8.857) 16.982 10.861 ( 5.302 18.283 -2.946) 19.263 11.277 ( 11.597 -3.339 7.330) 14.120 12.206 ( 9.975 1.578 -8.723) 13.345 12.726 ( 7.170 1.776 11.547) 13.707 13.084 ( -1.098 7.919 -0.372) 8.004 13.366 ( 0.711 -7.228 3.647) 8.127 13.571 ( -5.257 -0.003 -2.919) 6.013 14.769 ( 14.896 -12.000 -1.422) 19.181 17.529 ( -9.207 -0.563 -16.547) 18.945 18.856 ( 9.451 -3.455 9.029) 13.519 19.342 ( -7.075 -5.684 2.761) 9.486 19.553 ( 7.004 -5.595 -0.874) 9.007 21.178 ( 4.646 12.916 -15.508) 20.710 23.036 ( -7.942 -14.635 3.930) 17.108 23.531 ( 13.197 4.498 -2.586) 14.180 24.120 ( 2.889 1.390 10.902) 11.363 ======================= Grid point 381 (175/432) ======================= q-point: (-0.45 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -21.348 9.692 11.900) 26.292 2.460 ( -20.710 9.978 -5.905) 23.735 3.212 ( -4.723 5.851 -1.315) 7.634 3.380 ( 1.632 -5.826 4.852) 7.755 3.517 ( -0.431 -5.987 -2.158) 6.379 3.896 ( -5.586 -1.474 1.446) 5.955 4.632 ( -8.785 -0.056 -4.480) 9.861 4.671 ( -1.788 -5.082 -3.994) 6.706 5.320 ( 0.086 -13.164 1.572) 13.258 5.493 ( -0.602 -7.601 -0.105) 7.625 5.688 ( -11.625 0.451 1.077) 11.683 5.866 ( -7.607 -0.232 6.351) 9.913 6.652 ( -6.390 1.530 -1.600) 6.762 6.967 ( -4.433 5.103 7.463) 10.069 7.927 ( 10.138 -2.393 -10.946) 15.110 8.049 ( -14.442 -0.814 15.002) 20.840 8.677 ( -14.644 5.478 7.660) 17.411 9.404 ( -6.863 -9.386 7.002) 13.573 9.484 ( 4.053 6.660 -0.794) 7.836 9.902 ( -5.202 2.956 -1.383) 6.141 10.768 ( 0.281 4.639 -2.926) 5.492 11.474 ( 7.763 2.980 4.523) 9.466 12.188 ( 7.137 3.263 -9.801) 12.555 12.795 ( -10.353 8.769 14.135) 19.593 13.025 ( 3.720 0.247 -8.188) 8.997 13.466 ( 0.780 -5.566 0.765) 5.673 13.608 ( 7.364 2.438 8.349) 11.397 15.044 ( 15.613 -13.712 -4.543) 21.271 17.243 ( -7.806 0.890 -11.361) 13.814 19.096 ( 3.649 -4.535 4.152) 7.150 19.335 ( 0.292 -0.151 6.802) 6.810 19.735 ( 12.524 -7.089 -1.481) 14.467 20.958 ( 4.444 10.664 -15.417) 19.265 23.051 ( -11.440 -15.296 0.389) 19.105 23.599 ( 9.507 6.802 -2.928) 12.051 24.333 ( 3.811 -2.294 16.259) 16.857 ======================= Grid point 382 (176/432) ======================= q-point: (-0.36 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -22.531 10.566 14.724) 28.915 1.987 ( -27.114 9.866 -7.196) 29.737 3.011 ( -15.337 14.846 10.461) 23.771 3.527 ( -2.736 -5.135 0.897) 5.887 3.583 ( 3.155 -10.507 6.208) 12.605 3.811 ( -10.021 -2.746 0.353) 10.396 4.497 ( -7.454 -4.395 -4.914) 9.951 4.701 ( 3.467 -2.602 3.714) 5.708 5.428 ( -2.105 -12.501 -7.072) 14.516 5.548 ( 3.124 -7.153 -0.198) 7.808 5.584 ( -7.849 -1.416 3.560) 8.734 5.876 ( -3.597 1.634 8.995) 9.825 6.543 ( -4.595 -0.753 -3.269) 5.690 6.945 ( -7.838 1.246 6.978) 10.568 7.930 ( -7.415 -3.000 -0.573) 8.019 8.019 ( -0.290 -2.478 1.450) 2.886 8.531 ( -7.473 10.378 3.765) 13.331 9.472 ( 3.488 1.413 -2.833) 4.711 9.510 ( -3.475 -7.004 8.717) 11.709 9.836 ( 2.262 11.961 2.597) 12.447 10.721 ( -7.309 -11.939 -3.354) 14.395 11.536 ( 4.554 9.702 1.948) 10.893 12.127 ( 4.627 2.361 -8.665) 10.103 12.702 ( -13.044 6.122 8.311) 16.634 12.993 ( 0.355 -1.575 -2.220) 2.745 13.530 ( 3.469 -4.609 -3.127) 6.562 13.759 ( 8.607 9.234 4.060) 13.260 15.290 ( 14.917 -13.793 -7.690) 21.723 17.118 ( -1.822 -0.080 5.060) 5.378 19.059 ( -3.433 2.171 -5.937) 7.194 19.544 ( 10.365 0.423 9.701) 14.203 19.938 ( 12.630 -6.081 -1.595) 14.108 20.763 ( 2.999 7.514 -13.293) 15.562 23.036 ( -12.567 -18.597 0.460) 22.449 23.616 ( 7.571 7.003 -2.517) 10.616 24.583 ( 1.258 -4.465 13.812) 14.570 ======================= Grid point 383 (177/432) ======================= q-point: (-0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -28.575 10.528 -0.633) 30.460 1.638 ( -20.086 14.355 15.436) 29.117 2.882 ( -21.530 11.545 28.523) 37.555 3.512 ( -5.479 -4.959 -0.729) 7.426 3.713 ( -7.190 -3.146 -1.436) 7.978 3.774 ( 2.801 -6.271 6.135) 9.209 4.386 ( -6.151 -6.278 -6.064) 10.678 4.895 ( 6.297 -3.010 12.738) 14.525 5.266 ( -8.469 -4.355 -15.734) 18.392 5.610 ( 0.312 -5.112 3.839) 6.401 5.697 ( 4.731 -4.242 4.553) 7.817 5.931 ( -2.558 1.527 9.147) 9.620 6.503 ( 1.419 -4.163 -2.289) 4.958 6.904 ( -11.129 -5.202 4.782) 13.182 7.824 ( -14.321 -3.054 5.346) 15.588 8.090 ( 0.184 -2.552 1.342) 2.889 8.402 ( 2.554 12.842 -1.328) 13.160 9.494 ( 3.930 -0.224 -0.099) 3.938 9.563 ( 0.188 4.611 -0.698) 4.668 9.839 ( 3.435 6.946 7.377) 10.699 10.659 ( -17.732 -21.185 -5.754) 28.219 11.487 ( 3.972 15.755 -1.180) 16.290 12.102 ( 3.550 -3.385 -4.188) 6.449 12.567 ( -11.647 2.979 3.311) 12.469 12.992 ( -1.224 0.444 0.400) 1.362 13.496 ( 2.063 5.205 -11.027) 12.367 13.766 ( 3.882 8.176 -0.723) 9.080 15.469 ( 12.104 -11.910 -11.407) 20.457 17.399 ( 12.987 -8.646 25.854) 30.197 18.907 ( 2.226 9.536 -8.859) 13.205 19.735 ( 4.167 -3.467 3.711) 6.569 20.126 ( 13.041 0.473 0.855) 13.078 20.600 ( 2.315 3.928 -12.619) 13.418 23.063 ( -13.321 -23.475 3.002) 27.157 23.632 ( 7.824 6.044 -2.403) 10.175 24.692 ( -6.541 -3.181 1.900) 7.517 ======================= Grid point 384 (178/432) ======================= q-point: (-0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -8.883 10.322 20.794) 24.856 1.471 ( -16.053 14.289 18.745) 28.518 2.881 ( -27.801 5.309 36.473) 46.167 3.460 ( -5.342 -3.289 -1.962) 6.573 3.661 ( -0.410 -1.226 -0.360) 1.342 3.896 ( 3.043 -3.227 1.147) 4.581 4.323 ( -3.408 -6.730 -2.725) 8.020 4.976 ( -3.406 2.052 -14.134) 14.682 5.194 ( 0.750 -3.498 18.843) 19.180 5.646 ( -1.180 -2.871 -5.940) 6.702 5.865 ( 7.531 0.432 8.034) 11.021 6.036 ( 0.082 -2.563 13.604) 13.844 6.593 ( 7.185 -4.394 0.068) 8.423 6.868 ( -11.883 -14.444 1.557) 18.768 7.725 ( -12.447 -3.421 -1.217) 12.966 7.966 ( -14.502 12.414 6.058) 20.028 8.466 ( 10.555 1.985 6.434) 12.519 9.429 ( -0.932 11.122 -5.376) 12.388 9.611 ( 6.450 -4.964 2.589) 8.541 9.946 ( 5.540 5.960 7.781) 11.258 10.452 ( -27.926 -19.923 -6.868) 34.985 11.361 ( 4.335 18.409 -4.290) 19.393 12.173 ( 4.303 -7.365 -3.054) 9.060 12.441 ( -10.369 0.002 3.323) 10.889 12.910 ( -2.659 9.749 -3.789) 10.792 13.328 ( 0.438 7.462 -4.509) 8.729 13.747 ( 1.930 2.019 -2.361) 3.657 15.520 ( 7.595 -8.167 -16.944) 20.285 18.090 ( 21.118 -21.404 21.158) 36.766 18.813 ( 16.548 16.758 -3.209) 23.769 19.789 ( -5.128 -11.076 -3.746) 12.767 20.226 ( 0.774 12.533 3.452) 13.023 20.517 ( 14.874 -1.399 -12.753) 19.642 23.145 ( -14.700 -27.461 4.924) 31.535 23.662 ( 8.574 5.005 -2.921) 10.348 24.434 ( -23.079 6.173 -12.390) 26.912 ======================= Grid point 385 (179/432) ======================= q-point: (-0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -9.977 7.648 24.636) 27.658 1.495 ( 8.872 3.915 28.421) 30.030 2.917 ( -23.254 2.860 36.224) 43.141 3.387 ( -3.872 -1.443 -3.444) 5.379 3.722 ( 5.316 -1.124 1.986) 5.786 3.934 ( 2.865 -0.801 -4.026) 5.006 4.348 ( -0.350 -5.010 1.947) 5.387 4.792 ( 3.021 3.181 -13.060) 13.777 5.421 ( -5.203 -1.006 20.152) 20.837 5.538 ( -3.418 -0.357 -7.328) 8.094 6.034 ( 1.550 0.619 12.706) 12.815 6.266 ( 4.288 -2.801 12.876) 13.858 6.715 ( 7.089 -0.935 -0.009) 7.150 6.880 ( -7.686 -16.728 -1.990) 18.516 7.430 ( -14.388 7.016 -10.125) 18.941 7.879 ( -18.472 4.071 27.260) 33.180 8.701 ( 8.022 -1.629 11.652) 14.240 9.260 ( -1.317 8.052 -5.567) 9.877 9.756 ( -0.400 -6.127 0.809) 6.193 9.987 ( -0.935 8.893 2.205) 9.210 10.284 ( -6.938 -14.304 3.880) 16.365 11.210 ( 3.526 14.202 -6.429) 15.983 12.139 ( -1.647 -0.326 -11.760) 11.880 12.463 ( -4.314 -10.154 9.212) 14.372 12.737 ( -2.320 13.506 -1.223) 13.758 13.309 ( 4.104 1.877 1.047) 4.632 13.716 ( 0.471 0.499 -3.915) 3.975 15.413 ( 2.544 -3.910 -21.161) 21.669 18.437 ( 5.206 -7.956 -7.045) 11.833 19.178 ( 36.608 4.083 10.390) 38.273 19.709 ( -11.931 -17.032 -10.427) 23.263 20.004 ( -10.442 16.103 -5.601) 19.993 20.723 ( 24.587 -0.121 -1.500) 24.633 23.214 ( -21.166 -30.220 1.307) 36.918 23.648 ( -5.720 15.394 -4.285) 16.972 23.838 ( -17.094 9.801 -7.646) 21.135 ======================= Grid point 387 (180/432) ======================= q-point: ( 0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 4.929 0.000 27.915) 28.347 2.467 ( 6.399 0.000 15.036) 16.341 3.229 ( 3.909 0.000 -7.028) 8.042 3.480 ( -2.045 -0.000 0.043) 2.046 3.666 ( -1.134 -0.000 -11.295) 11.352 3.981 ( 8.453 0.000 -5.399) 10.030 4.335 ( -0.957 -0.000 -5.696) 5.775 4.465 ( 1.402 0.000 -0.940) 1.688 5.540 ( -2.958 -0.000 10.119) 10.543 5.639 ( -12.360 -0.000 13.492) 18.298 6.204 ( -10.890 -0.000 5.373) 12.143 6.387 ( -10.157 -0.000 -6.604) 12.115 6.827 ( -3.801 -0.000 14.640) 15.126 6.945 ( 2.604 0.000 3.898) 4.688 7.196 ( -5.506 -0.000 23.065) 23.713 8.303 ( -17.179 -0.000 28.852) 33.579 8.941 ( -15.871 -0.000 -4.034) 16.376 9.403 ( -2.342 -0.000 -0.182) 2.349 9.712 ( 19.628 0.000 17.090) 26.026 9.902 ( 2.028 0.000 -2.013) 2.858 10.777 ( -5.577 -0.000 -11.373) 12.666 11.353 ( 22.343 0.000 12.332) 25.521 11.765 ( 6.308 0.000 -15.075) 16.341 12.229 ( 0.688 0.000 -9.475) 9.500 12.887 ( -3.199 -0.000 9.582) 10.102 13.530 ( -4.154 -0.000 -0.555) 4.191 13.680 ( 10.755 0.000 -2.371) 11.013 14.609 ( -6.013 -0.000 -14.411) 15.615 18.537 ( -15.679 -0.000 -18.482) 24.236 18.552 ( 11.897 0.000 -8.980) 14.906 19.178 ( -14.196 -0.000 3.510) 14.623 19.818 ( -8.430 -0.000 -2.031) 8.671 21.919 ( 19.997 0.000 13.257) 23.993 22.150 ( -6.967 -0.000 -12.058) 13.926 23.330 ( -1.978 -0.000 1.098) 2.262 23.943 ( 6.759 0.000 -1.570) 6.939 ======================= Grid point 388 (181/432) ======================= q-point: ( 0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 2.912 8.260 17.096) 19.209 2.784 ( 7.066 -8.906 18.614) 21.811 3.167 ( 1.784 2.381 -8.057) 8.588 3.409 ( -3.512 -2.886 -6.873) 8.240 3.500 ( -2.585 3.187 -9.519) 10.365 3.977 ( 8.716 0.974 -13.287) 15.921 4.288 ( 3.928 -2.527 -5.062) 6.888 4.555 ( 1.450 -7.785 4.295) 9.009 5.534 ( -11.857 5.059 7.993) 15.168 5.630 ( -12.275 -3.953 9.150) 15.812 6.111 ( -10.779 -0.192 2.777) 11.132 6.186 ( -11.475 -0.165 -3.737) 12.069 6.857 ( -1.936 1.626 2.676) 3.681 7.035 ( 3.663 0.561 4.238) 5.630 7.476 ( -7.643 1.763 36.768) 37.595 8.304 ( -14.642 14.557 15.248) 25.668 8.700 ( -19.697 -16.288 -2.774) 25.709 9.405 ( -1.232 0.910 4.027) 4.308 9.843 ( 0.174 8.357 -2.283) 8.665 10.235 ( 20.229 -4.851 16.858) 26.776 10.556 ( -7.518 -2.348 -10.463) 13.096 11.610 ( 7.278 11.853 -11.146) 17.824 11.830 ( 20.126 -7.079 8.833) 23.091 12.189 ( 8.765 2.581 -5.847) 10.848 12.968 ( -3.318 -8.671 5.358) 10.719 13.462 ( -6.272 2.817 2.314) 7.255 13.749 ( 6.256 -2.301 -8.049) 10.451 14.417 ( -1.907 0.755 -7.210) 7.496 18.138 ( -11.556 1.797 -17.035) 20.664 18.588 ( 6.418 -0.790 -5.496) 8.486 19.125 ( -3.815 -2.985 4.281) 6.464 19.647 ( -14.055 -0.642 -0.877) 14.097 21.885 ( 1.040 12.494 -12.724) 17.863 22.352 ( 11.636 -10.941 11.318) 19.576 23.346 ( 3.070 -1.005 -0.063) 3.231 24.009 ( 5.412 0.728 -0.189) 5.464 ======================= Grid point 389 (182/432) ======================= q-point: (-0.73 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -6.615 10.970 6.518) 14.373 3.043 ( -0.560 2.547 0.425) 2.642 3.177 ( 6.108 -6.955 7.675) 12.024 3.281 ( -4.168 -1.910 -7.617) 8.890 3.369 ( -2.802 -0.631 -3.661) 4.653 3.925 ( 9.864 2.674 -12.674) 16.281 4.355 ( 8.229 -7.749 -5.707) 12.662 4.696 ( -0.505 -12.985 3.294) 13.406 5.350 ( -17.879 6.489 2.828) 19.230 5.567 ( -13.448 -3.658 3.345) 14.332 5.984 ( -11.466 0.627 0.855) 11.515 6.025 ( -11.211 -0.655 1.382) 11.315 6.846 ( -1.423 2.541 1.709) 3.377 7.098 ( 0.268 2.679 3.626) 4.516 7.765 ( -11.730 1.860 36.391) 38.279 8.101 ( -4.520 10.692 -4.665) 12.511 8.643 ( -19.902 -17.225 9.530) 27.993 9.428 ( -2.530 2.922 6.253) 7.351 9.715 ( -2.857 6.605 -4.057) 8.261 10.250 ( -11.703 -1.363 -12.138) 16.915 10.797 ( 19.088 -6.574 14.586) 24.906 11.458 ( 9.572 21.699 -7.689) 24.932 12.168 ( 13.925 2.303 -2.316) 14.303 12.343 ( 17.134 -4.697 9.005) 19.918 13.067 ( -1.423 -11.296 2.602) 11.679 13.368 ( -8.495 5.599 4.072) 10.958 13.676 ( -2.747 -2.982 -11.094) 11.812 14.411 ( 7.637 -4.094 -3.249) 9.255 17.812 ( -9.074 -0.411 -15.988) 18.388 18.638 ( 3.703 -1.436 2.880) 4.906 19.197 ( 4.554 -3.091 1.493) 5.702 19.486 ( -10.570 -2.421 0.299) 10.848 21.640 ( 2.615 12.003 -15.956) 20.137 22.664 ( 1.635 -11.085 10.190) 15.146 23.435 ( 9.638 0.155 0.871) 9.679 24.067 ( 3.640 1.681 2.004) 4.482 ======================= Grid point 390 (183/432) ======================= q-point: (-0.64 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -13.102 12.050 3.157) 18.078 2.907 ( -10.956 2.186 -6.703) 13.029 3.156 ( -1.879 -0.510 -2.470) 3.145 3.331 ( -0.575 -5.072 -0.905) 5.185 3.425 ( 2.921 -2.417 6.124) 7.203 3.902 ( 8.383 1.841 -8.927) 12.384 4.468 ( 6.595 -9.729 -5.541) 12.995 4.822 ( -3.557 -13.552 0.818) 14.035 5.062 ( -18.641 2.993 0.162) 18.881 5.448 ( -10.578 -3.134 0.005) 11.033 5.847 ( -11.657 0.795 1.895) 11.837 5.920 ( -10.001 -0.033 4.118) 10.815 6.795 ( -4.967 3.350 0.285) 5.998 7.085 ( -3.886 3.338 3.548) 6.232 7.939 ( -1.934 2.758 2.889) 4.438 7.984 ( -9.351 0.755 17.065) 19.474 8.649 ( -16.561 -11.900 10.827) 23.089 9.420 ( -5.268 4.687 6.196) 9.387 9.606 ( -1.094 3.276 -2.121) 4.053 9.958 ( -13.904 -5.980 -12.184) 19.430 11.187 ( 13.990 5.327 5.997) 16.126 11.338 ( 11.561 21.477 1.506) 24.437 12.236 ( 10.958 2.379 -7.418) 13.445 12.726 ( 13.534 -2.113 10.843) 17.470 13.189 ( 3.408 -2.433 1.952) 4.620 13.250 ( -8.802 0.279 4.532) 9.904 13.532 ( -5.440 -4.041 -6.211) 9.192 14.571 ( 12.985 -10.781 -4.736) 17.529 17.521 ( -8.699 -0.320 -15.024) 17.363 18.797 ( 5.899 -3.275 10.017) 12.077 19.283 ( 1.448 -1.516 1.359) 2.498 19.465 ( 4.448 -4.809 -0.677) 6.586 21.384 ( 2.644 11.125 -17.201) 20.655 22.805 ( -7.777 -12.282 4.668) 15.268 23.598 ( 12.520 3.209 2.788) 13.222 24.138 ( 2.485 0.792 6.349) 6.864 ======================= Grid point 391 (184/432) ======================= q-point: (-0.55 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -16.417 11.792 7.437) 21.538 2.588 ( -18.203 5.357 -9.169) 21.074 3.184 ( 1.332 -6.204 2.113) 6.688 3.353 ( -2.429 -4.861 0.524) 5.460 3.471 ( -0.020 4.622 1.521) 4.866 3.875 ( -2.068 -1.031 -4.123) 4.727 4.541 ( 1.155 -8.186 -3.804) 9.100 4.665 ( -15.867 2.174 -2.487) 16.207 5.056 ( -0.433 -16.951 0.680) 16.970 5.382 ( -3.807 -5.364 -0.614) 6.606 5.698 ( -12.599 0.676 1.229) 12.677 5.876 ( -6.811 1.021 8.010) 10.564 6.674 ( -8.546 2.170 -1.303) 8.913 7.037 ( -6.839 1.909 4.085) 8.192 7.898 ( 6.620 -0.957 -10.303) 12.284 8.039 ( -17.704 -0.152 18.509) 25.614 8.661 ( -11.432 -5.672 9.672) 16.013 9.364 ( -6.454 3.482 4.604) 8.659 9.575 ( 1.368 3.292 -0.223) 3.571 9.774 ( -10.751 -13.245 -3.748) 17.466 11.089 ( 5.978 28.357 -4.243) 29.289 11.537 ( 11.975 4.542 8.438) 15.337 12.246 ( 8.631 3.544 -8.753) 12.793 12.911 ( -1.516 2.959 8.875) 9.478 13.055 ( -5.164 4.161 -6.720) 9.441 13.350 ( -2.217 -7.474 1.650) 7.968 13.599 ( 10.714 -3.224 8.711) 14.180 14.793 ( 14.770 -15.342 -7.639) 22.625 17.259 ( -7.542 0.871 -10.356) 12.841 19.024 ( 4.370 -3.725 7.923) 9.785 19.344 ( 6.148 1.272 5.099) 8.088 19.625 ( 13.242 -6.008 -1.909) 14.666 21.128 ( 1.542 9.302 -16.862) 19.320 22.800 ( -12.863 -13.796 0.064) 18.862 23.723 ( 9.315 7.442 1.047) 11.969 24.288 ( 2.316 -3.001 12.421) 12.987 ======================= Grid point 392 (185/432) ======================= q-point: (-0.45 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -18.313 11.999 12.353) 25.139 2.152 ( -22.775 9.617 -7.476) 25.828 3.237 ( -3.162 7.123 2.794) 8.279 3.388 ( -1.571 -10.108 0.467) 10.240 3.465 ( -2.898 -0.592 9.192) 9.656 3.767 ( -9.731 -2.348 -1.478) 10.119 4.423 ( -10.917 -4.222 -5.841) 13.082 4.641 ( 3.193 -4.156 4.250) 6.748 5.173 ( -2.021 -17.175 -5.970) 18.295 5.427 ( 2.435 -6.768 1.789) 7.412 5.566 ( -10.702 -0.902 3.415) 11.270 5.905 ( -3.438 1.747 9.957) 10.678 6.522 ( -10.134 -0.724 -2.008) 10.356 6.964 ( -10.573 -0.236 3.873) 11.263 7.867 ( -3.367 -3.623 -4.879) 6.947 7.993 ( -6.577 -0.640 4.892) 8.222 8.657 ( -6.446 3.707 7.906) 10.853 9.342 ( -4.544 -4.856 3.158) 7.363 9.570 ( 1.629 4.470 2.894) 5.569 9.796 ( -7.080 -17.077 2.564) 18.663 10.850 ( 1.109 26.479 -4.818) 26.936 11.694 ( 8.486 8.723 5.532) 13.368 12.198 ( 6.097 5.378 -9.372) 12.407 12.824 ( -13.801 7.231 4.974) 16.356 12.971 ( 0.813 -0.780 -1.532) 1.902 13.403 ( 0.814 -9.565 -2.615) 9.949 13.869 ( 12.412 3.499 6.369) 14.382 15.023 ( 14.603 -17.446 -9.970) 24.840 17.116 ( -3.380 -0.049 1.214) 3.591 19.097 ( 2.845 2.186 -2.202) 4.209 19.550 ( 9.998 0.306 7.790) 12.678 19.848 ( 17.710 -4.410 -1.110) 18.284 20.884 ( -0.633 6.622 -14.565) 16.012 22.731 ( -15.684 -16.791 -0.947) 22.996 23.754 ( 6.750 9.106 -0.564) 11.349 24.498 ( -0.461 -5.621 13.211) 14.364 ======================= Grid point 393 (186/432) ======================= q-point: (-0.36 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -22.020 14.616 0.686) 26.438 1.878 ( -17.088 14.018 15.728) 27.127 3.118 ( -13.353 14.826 15.074) 25.007 3.409 ( -5.593 -7.457 -0.045) 9.322 3.604 ( -2.620 -8.578 3.921) 9.789 3.696 ( -2.713 -3.104 4.925) 6.422 4.276 ( -6.337 -6.397 -8.031) 12.066 4.830 ( 5.456 -4.490 11.426) 13.435 5.137 ( -5.759 -11.275 -10.356) 16.357 5.522 ( -2.523 -4.806 2.810) 6.113 5.602 ( 2.857 -6.723 8.292) 11.051 5.965 ( -2.450 2.294 8.929) 9.539 6.408 ( -8.474 -5.796 0.177) 10.268 6.854 ( -12.842 -2.314 1.764) 13.168 7.757 ( -12.682 -3.966 1.193) 13.341 8.032 ( 3.833 -3.647 -0.474) 5.312 8.615 ( -2.058 11.355 5.494) 12.781 9.375 ( -2.513 -10.293 -0.687) 10.617 9.625 ( 2.565 4.361 6.671) 8.373 9.873 ( -7.560 -15.893 1.518) 17.665 10.579 ( -4.116 20.655 -3.413) 21.336 11.749 ( 7.531 14.450 3.032) 16.574 12.115 ( 3.789 4.296 -7.757) 9.643 12.648 ( -11.622 5.588 2.971) 13.234 12.986 ( -0.901 -0.418 2.811) 2.981 13.444 ( 2.213 -8.123 -7.954) 11.582 13.954 ( 6.615 10.473 -2.866) 12.715 15.220 ( 12.051 -17.207 -11.920) 24.153 17.260 ( 5.621 -7.434 17.146) 19.516 19.063 ( 8.694 8.268 -7.511) 14.155 19.680 ( 1.807 -2.586 -0.961) 3.298 20.141 ( 22.692 1.238 2.720) 22.888 20.666 ( -3.442 3.653 -11.206) 12.278 22.676 ( -17.175 -21.214 1.514) 27.337 23.752 ( 6.324 8.241 -1.320) 10.472 24.622 ( -7.209 -5.156 6.604) 11.053 ======================= Grid point 394 (187/432) ======================= q-point: (-0.27 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.721 16.704 17.790) 25.311 1.736 ( -14.553 15.975 17.439) 27.768 3.023 ( -20.609 11.277 26.025) 35.060 3.384 ( -5.598 -5.662 -0.918) 8.015 3.621 ( 1.490 -3.702 -1.854) 4.400 3.828 ( 0.293 -4.473 7.710) 8.919 4.191 ( -2.201 -8.035 -6.599) 10.628 4.990 ( -1.869 -1.208 -9.794) 10.043 5.108 ( 0.323 -6.468 17.457) 18.619 5.580 ( -0.748 -4.747 -0.765) 4.866 5.826 ( 7.577 -6.273 10.250) 14.207 6.015 ( -2.893 0.899 9.723) 10.184 6.424 ( -7.496 -13.033 6.061) 16.211 6.729 ( -10.004 -3.723 -0.621) 10.693 7.653 ( -11.933 -4.436 1.432) 12.812 8.070 ( -3.594 -0.278 0.213) 3.611 8.574 ( 2.570 10.587 6.383) 12.627 9.458 ( 1.146 -11.950 1.271) 12.071 9.638 ( 1.523 11.587 -0.273) 11.690 9.903 ( -11.679 -19.961 0.311) 23.129 10.347 ( -3.825 17.875 1.638) 18.353 11.705 ( 7.230 21.436 -1.749) 22.690 12.087 ( 3.600 -2.228 -3.121) 5.260 12.492 ( -10.513 4.769 2.076) 11.730 12.998 ( -1.167 2.328 1.666) 3.091 13.398 ( 1.968 -1.609 -10.468) 10.772 13.856 ( 1.245 10.808 -3.819) 11.530 15.324 ( 7.594 -14.766 -16.190) 23.191 17.744 ( 12.942 -18.952 20.862) 31.015 19.054 ( 18.935 11.094 -8.121) 23.400 19.635 ( -6.128 -6.366 -7.454) 11.560 20.427 ( 6.363 11.158 7.342) 14.795 20.485 ( 10.689 -2.234 -12.628) 16.695 22.681 ( -18.198 -25.550 4.912) 31.751 23.755 ( 6.655 6.313 -2.085) 9.407 24.499 ( -17.837 1.287 -3.775) 18.277 ======================= Grid point 395 (188/432) ======================= q-point: (-0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 7.093 10.138 24.932) 27.834 1.659 ( -10.502 15.017 21.256) 28.064 3.017 ( -16.612 8.975 31.172) 36.444 3.340 ( -4.005 -4.094 -2.915) 6.426 3.683 ( 5.037 -3.495 -1.023) 6.215 3.915 ( 0.675 -1.090 2.116) 2.474 4.214 ( 1.198 -9.776 -1.575) 9.974 4.862 ( 2.393 3.976 -9.388) 10.472 5.376 ( -2.586 -4.728 19.723) 20.446 5.530 ( -4.059 -0.310 -3.546) 5.398 6.054 ( 1.884 1.643 11.372) 11.644 6.178 ( 4.689 -7.705 11.439) 14.567 6.526 ( -15.725 -20.907 11.861) 28.723 6.691 ( 3.159 -2.895 -1.584) 4.568 7.498 ( -11.775 0.630 -6.810) 13.617 7.971 ( -14.138 4.403 12.195) 19.184 8.687 ( 5.331 1.347 10.539) 11.887 9.489 ( 0.650 17.371 -3.448) 17.722 9.606 ( 0.784 -11.119 1.288) 11.220 9.915 ( -13.504 -22.957 0.586) 26.641 10.248 ( 5.982 17.747 5.536) 19.529 11.554 ( 5.533 23.914 -4.832) 25.016 12.112 ( 2.405 -3.012 -8.975) 9.767 12.365 ( -9.103 -0.713 4.804) 10.317 12.940 ( -1.441 9.305 0.574) 9.433 13.350 ( 4.426 1.505 -2.937) 5.521 13.755 ( -0.718 5.051 -3.083) 5.961 15.286 ( 2.705 -11.041 -20.464) 23.410 18.216 ( 8.645 -16.731 5.051) 19.499 19.245 ( 26.813 -0.632 -4.427) 27.183 19.478 ( -9.868 -6.485 -8.605) 14.611 20.220 ( -9.677 8.185 -7.042) 14.500 20.746 ( 23.351 4.252 2.559) 23.872 22.720 ( -20.359 -26.812 5.197) 34.064 23.770 ( 6.587 4.561 -2.745) 8.469 24.075 ( -24.535 12.634 -7.331) 28.554 ======================= Grid point 396 (189/432) ======================= q-point: (-0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -5.298 9.247 26.280) 28.358 1.926 ( 7.846 4.669 20.619) 22.550 3.179 ( -4.033 7.071 29.953) 31.039 3.287 ( -1.251 -2.852 -4.739) 5.670 3.758 ( 3.392 -5.914 -3.382) 7.611 3.925 ( 1.029 2.216 -0.663) 2.532 4.312 ( 2.002 -9.023 -1.020) 9.299 4.746 ( 3.927 7.458 -11.050) 13.897 5.435 ( -2.324 -0.514 -1.861) 3.021 5.562 ( -7.097 0.808 17.947) 19.316 6.197 ( -2.914 0.101 15.471) 15.744 6.373 ( -6.175 -6.036 15.439) 17.689 6.649 ( -5.241 -14.044 3.131) 15.314 6.782 ( 3.453 -4.052 2.239) 5.775 7.230 ( -11.321 3.551 -4.388) 12.651 7.988 ( -15.529 -1.042 25.714) 30.057 8.876 ( 3.719 -3.597 9.227) 10.579 9.357 ( 3.242 15.903 2.482) 16.419 9.612 ( -7.413 -4.686 -2.305) 9.068 9.956 ( -3.869 -4.246 1.245) 5.877 10.379 ( 13.319 -6.631 5.494) 15.860 11.351 ( 4.122 24.182 -5.656) 25.174 11.975 ( 0.088 0.912 -13.692) 13.722 12.381 ( -5.638 -10.352 1.099) 11.839 12.857 ( -1.022 13.798 5.917) 15.048 13.416 ( 8.139 1.004 0.921) 8.252 13.672 ( -1.713 1.713 -3.644) 4.376 15.118 ( -1.718 -6.986 -21.925) 23.075 18.399 ( 8.939 -6.082 -5.298) 12.040 19.215 ( -17.755 -16.972 -14.019) 28.281 19.603 ( 15.397 0.772 -0.655) 15.430 19.912 ( -6.288 11.923 -8.540) 15.957 21.075 ( 22.824 0.451 6.543) 23.748 22.664 ( -23.845 -18.287 -0.153) 30.050 23.585 ( -15.600 15.644 -0.888) 22.111 23.823 ( 6.385 1.794 -3.076) 7.311 ======================= Grid point 399 (190/432) ======================= q-point: ( 0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -5.065 -0.000 6.915) 8.571 3.051 ( -2.392 -0.000 -8.361) 8.697 3.076 ( 6.481 0.000 16.355) 17.592 3.274 ( -2.889 -0.000 -6.306) 6.936 3.375 ( -4.386 -0.000 -4.839) 6.531 3.953 ( 13.180 0.000 -15.967) 20.704 4.288 ( 6.969 0.000 -4.344) 8.212 4.570 ( -1.999 -0.000 3.435) 3.975 5.438 ( -18.233 -0.000 3.039) 18.485 5.506 ( -12.925 -0.000 3.700) 13.444 5.993 ( -11.115 -0.000 1.795) 11.259 6.017 ( -11.111 -0.000 0.409) 11.119 6.875 ( -0.508 -0.000 1.879) 1.946 7.112 ( 1.346 0.000 1.547) 2.050 7.780 ( -13.147 -0.000 36.817) 39.094 8.259 ( -12.750 -0.000 -12.726) 18.014 8.428 ( -14.867 -0.000 20.070) 24.976 9.454 ( -2.428 -0.000 6.572) 7.006 9.768 ( -5.569 -0.000 -6.967) 8.919 10.250 ( -11.697 -0.000 -14.861) 18.912 10.736 ( 21.955 0.000 18.862) 28.945 11.664 ( 14.211 0.000 -10.828) 17.866 12.232 ( 19.668 0.000 15.406) 24.983 12.263 ( 10.284 0.000 -5.061) 11.462 12.946 ( -1.557 -0.000 4.163) 4.445 13.419 ( -8.543 -0.000 4.420) 9.619 13.647 ( -1.510 -0.000 -12.557) 12.647 14.376 ( 5.174 0.000 -4.309) 6.734 17.809 ( -9.227 -0.000 -16.698) 19.078 18.624 ( 2.294 0.000 3.967) 4.582 19.172 ( 6.182 0.000 1.231) 6.304 19.466 ( -10.916 -0.000 -0.074) 10.916 21.755 ( 2.358 0.000 -19.548) 19.690 22.558 ( 1.127 0.000 13.257) 13.305 23.436 ( 9.729 0.000 2.211) 9.977 24.081 ( 4.089 0.000 1.293) 4.289 ======================= Grid point 400 (191/432) ======================= q-point: (-0.73 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -10.825 9.704 -0.212) 14.539 2.884 ( -8.292 -4.440 -9.948) 13.691 3.166 ( -4.172 1.839 -2.905) 5.406 3.230 ( -3.338 -5.140 -0.945) 6.201 3.420 ( 3.641 0.472 13.762) 14.244 3.935 ( 12.305 1.474 -15.881) 20.144 4.353 ( 7.014 -3.022 -3.610) 8.447 4.598 ( -3.646 -9.260 2.569) 10.279 5.153 ( -22.221 4.655 -1.177) 22.734 5.390 ( -10.340 -2.998 0.075) 10.766 5.861 ( -11.761 0.663 1.636) 11.893 5.917 ( -9.263 -0.250 4.856) 10.462 6.862 ( -3.016 3.502 0.761) 4.683 7.089 ( -5.340 -1.530 -1.043) 5.652 7.975 ( -17.656 0.741 30.451) 35.208 8.010 ( -2.638 1.975 -8.519) 9.134 8.494 ( -12.149 -5.377 15.815) 20.655 9.477 ( -5.327 1.738 6.901) 8.889 9.603 ( -7.832 -1.720 -5.709) 9.843 9.927 ( -9.236 0.633 -15.268) 17.856 11.197 ( 17.701 -0.265 14.404) 22.823 11.705 ( 15.455 14.198 -6.433) 21.951 12.305 ( 9.924 5.797 -5.105) 12.576 12.638 ( 11.300 -7.504 9.745) 16.702 13.073 ( 6.852 -4.808 9.968) 13.017 13.333 ( -9.316 4.306 2.883) 10.660 13.459 ( -6.154 -3.719 -10.575) 12.788 14.438 ( 10.850 -4.319 -6.723) 13.475 17.518 ( -8.334 -0.095 -14.128) 16.403 18.757 ( 3.733 -1.287 11.302) 11.971 19.279 ( 9.356 0.453 -1.584) 9.500 19.400 ( 0.242 -2.444 0.869) 2.605 21.526 ( 1.609 4.864 -20.218) 20.857 22.650 ( -7.873 -5.228 6.632) 11.546 23.635 ( 12.057 1.112 6.729) 13.853 24.147 ( 2.536 0.276 3.221) 4.109 ======================= Grid point 401 (192/432) ======================= q-point: (-0.64 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -12.431 10.361 1.897) 16.294 2.643 ( -13.193 1.126 -10.151) 16.684 3.101 ( -3.258 -2.720 0.857) 4.330 3.223 ( -5.597 -8.416 0.575) 10.123 3.573 ( 2.252 5.110 8.361) 10.054 3.862 ( 2.756 -0.613 -13.168) 13.467 4.423 ( 2.746 -4.501 -0.579) 5.304 4.658 ( -7.783 -6.267 -1.009) 10.043 4.841 ( -13.251 -4.715 -1.559) 14.151 5.310 ( -5.038 -3.253 -0.050) 5.997 5.709 ( -13.447 0.645 1.559) 13.553 5.892 ( -6.225 0.695 8.429) 10.501 6.738 ( -9.036 5.353 -1.218) 10.573 7.011 ( -8.747 -4.592 -0.807) 9.912 7.897 ( 2.985 0.538 -9.234) 9.720 8.044 ( -20.043 0.578 22.700) 30.288 8.570 ( -8.206 -3.840 13.901) 16.593 9.438 ( -7.908 3.476 4.071) 9.550 9.485 ( -9.594 -10.391 -2.982) 14.454 9.694 ( -2.424 2.264 -7.849) 8.521 11.486 ( 11.739 10.768 4.253) 16.488 11.693 ( 12.768 18.105 1.706) 22.220 12.311 ( 8.633 4.863 -6.827) 12.033 12.856 ( 3.427 -9.473 1.337) 10.162 13.145 ( -10.319 5.308 -4.080) 12.300 13.253 ( -7.449 -3.041 4.894) 9.418 13.522 ( 15.805 -5.115 9.862) 19.319 14.566 ( 13.779 -10.584 -10.023) 20.059 17.271 ( -7.447 0.533 -9.811) 12.329 18.976 ( 6.154 -1.901 10.497) 12.315 19.376 ( 9.991 2.325 1.701) 10.398 19.534 ( 12.735 -4.708 -0.026) 13.577 21.258 ( -0.327 5.821 -19.403) 20.260 22.609 ( -12.948 -8.350 0.716) 15.424 23.834 ( 8.651 5.381 6.929) 12.321 24.238 ( 1.513 -2.751 7.206) 7.860 ======================= Grid point 402 (193/432) ======================= q-point: (-0.55 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -14.197 10.988 7.506) 19.459 2.308 ( -15.212 8.844 -6.057) 18.610 3.157 ( -0.102 -9.381 3.070) 9.871 3.237 ( -5.900 -9.237 1.772) 11.103 3.591 ( -1.130 9.719 4.761) 10.882 3.729 ( -6.318 -2.410 -6.084) 9.096 4.372 ( -14.091 -1.117 -3.845) 14.648 4.575 ( 1.743 -3.250 4.892) 6.126 4.880 ( -1.253 -16.801 -5.018) 17.579 5.332 ( 1.135 -4.390 3.127) 5.508 5.554 ( -13.871 -0.468 3.669) 14.356 5.931 ( -3.313 1.284 10.068) 10.677 6.538 ( -13.243 2.738 -1.564) 13.614 6.912 ( -12.010 -5.820 -0.597) 13.360 7.829 ( -0.924 -0.798 -6.451) 6.565 7.997 ( -12.114 1.103 9.297) 15.310 8.667 ( -4.825 -1.152 13.463) 14.347 9.325 ( -7.416 -0.139 -1.289) 7.528 9.469 ( -10.942 -16.284 2.541) 19.783 9.638 ( 1.641 2.976 1.338) 3.652 11.381 ( 6.756 31.931 -4.219) 32.909 11.825 ( 9.398 7.204 7.535) 14.036 12.286 ( 6.722 4.870 -7.956) 11.498 12.923 ( -5.206 3.309 -7.195) 9.477 12.950 ( -4.626 -2.570 5.288) 7.481 13.235 ( -5.004 -8.987 0.193) 10.288 13.891 ( 15.184 -0.193 9.539) 17.933 14.734 ( 14.515 -15.842 -12.218) 24.717 17.116 ( -4.348 -0.015 -1.730) 4.680 19.128 ( 8.228 1.513 -1.104) 8.439 19.554 ( 9.174 0.124 5.768) 10.837 19.791 ( 21.142 -2.418 2.067) 21.380 20.979 ( -2.880 4.640 -17.183) 18.030 22.493 ( -15.945 -11.207 -1.468) 19.545 23.912 ( 4.670 9.431 3.272) 11.021 24.395 ( -0.839 -6.572 10.626) 12.523 ======================= Grid point 403 (194/432) ======================= q-point: (-0.45 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -14.883 16.034 2.372) 22.005 2.109 ( -12.538 13.484 13.042) 22.564 3.255 ( -6.354 -6.883 2.663) 9.739 3.269 ( -0.606 -5.373 1.954) 5.749 3.513 ( -8.995 0.748 5.391) 10.513 3.667 ( -2.749 0.222 5.105) 5.802 4.188 ( -6.959 -3.375 -6.317) 9.986 4.751 ( 4.692 -4.775 10.474) 12.430 4.905 ( -3.474 -15.235 -7.170) 17.193 5.457 ( -2.750 -3.006 4.126) 5.799 5.486 ( -3.735 -6.486 9.574) 12.152 6.000 ( -2.378 1.710 9.348) 9.796 6.340 ( -14.907 -2.060 1.086) 15.088 6.787 ( -12.131 -5.977 -2.124) 13.689 7.718 ( -8.853 -0.274 -1.446) 8.974 7.980 ( 0.442 -2.405 -0.026) 2.446 8.756 ( -2.502 4.949 11.801) 13.039 9.236 ( -7.141 -5.668 -1.218) 9.198 9.505 ( -13.027 -21.094 2.307) 24.899 9.697 ( 3.965 3.495 6.412) 8.310 11.109 ( 3.845 36.118 -3.820) 36.522 11.941 ( 6.857 8.264 5.769) 12.190 12.219 ( 5.193 6.835 -8.548) 12.114 12.743 ( -8.892 6.020 0.278) 10.742 12.979 ( -1.563 -1.258 3.541) 4.070 13.270 ( 0.026 -11.815 -5.104) 12.870 14.083 ( 8.341 5.180 0.071) 9.819 14.914 ( 12.560 -18.523 -13.025) 25.894 17.158 ( 1.761 -4.651 9.962) 11.134 19.165 ( 12.297 3.700 -10.761) 16.754 19.663 ( 1.409 0.682 0.746) 1.735 20.163 ( 27.735 1.180 4.074) 28.057 20.717 ( -6.092 2.429 -12.449) 14.071 22.376 ( -16.833 -14.273 0.620) 22.079 23.903 ( 3.354 9.584 0.971) 10.201 24.521 ( -6.669 -6.839 7.854) 12.366 ======================= Grid point 404 (195/432) ======================= q-point: (-0.36 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -5.025 19.111 14.698) 24.627 1.997 ( -11.401 15.417 15.378) 24.579 3.212 ( -11.062 8.555 12.256) 18.594 3.272 ( -6.015 -7.127 0.632) 9.347 3.535 ( 0.866 -6.406 0.324) 6.472 3.756 ( -2.309 -3.969 11.483) 12.367 4.089 ( -0.492 -2.912 -7.252) 7.830 4.907 ( 0.288 -9.350 -6.918) 11.635 4.994 ( 0.799 -6.527 16.397) 17.667 5.498 ( -3.146 -4.886 6.466) 8.694 5.677 ( 1.481 -9.748 10.554) 14.443 6.044 ( -3.590 1.728 8.299) 9.206 6.245 ( -13.456 -7.640 7.216) 17.073 6.665 ( -7.282 -4.734 -3.585) 9.397 7.600 ( -9.196 -1.227 0.549) 9.294 8.015 ( 0.583 -4.840 -2.529) 5.492 8.767 ( -3.217 11.086 8.772) 14.499 9.246 ( -2.896 -12.390 2.486) 12.965 9.519 ( -15.064 -21.613 0.910) 26.360 9.792 ( 4.395 6.713 5.644) 9.809 10.821 ( 3.006 34.272 -0.945) 34.416 12.010 ( 6.448 10.190 4.618) 12.912 12.113 ( 4.305 7.990 -9.110) 12.860 12.585 ( -9.297 6.620 1.161) 11.472 13.019 ( 0.059 0.107 3.673) 3.675 13.296 ( 1.790 -9.239 -7.542) 12.060 14.041 ( 1.549 9.738 -5.480) 11.281 15.041 ( 8.109 -18.241 -15.755) 25.431 17.471 ( 8.261 -13.391 17.788) 23.748 19.154 ( 14.909 0.641 -18.061) 23.428 19.609 ( -3.188 3.455 -3.163) 5.666 20.445 ( 3.661 -2.391 -13.759) 14.437 20.593 ( 15.455 8.428 9.316) 19.916 22.323 ( -15.928 -16.913 4.605) 23.685 23.874 ( 3.416 7.778 -0.628) 8.519 24.482 ( -14.547 -3.074 0.981) 14.900 ======================= Grid point 405 (196/432) ======================= q-point: (-0.27 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 1.628 13.077 19.566) 23.590 1.925 ( -6.726 16.589 17.730) 25.195 3.195 ( -7.759 10.727 21.859) 25.556 3.254 ( -4.362 -5.958 -1.863) 7.616 3.607 ( 3.398 -5.427 -2.050) 6.723 3.893 ( -2.357 -2.995 10.412) 11.087 4.064 ( 3.321 -5.753 -5.468) 8.604 4.896 ( 3.963 -0.497 -6.432) 7.571 5.264 ( -1.297 -8.241 18.625) 20.408 5.530 ( -4.145 0.131 3.570) 5.472 5.965 ( 3.952 -16.514 12.886) 21.316 6.095 ( -3.139 1.244 10.354) 10.891 6.250 ( -16.811 -10.571 13.856) 24.214 6.628 ( 1.655 -4.513 -2.505) 5.420 7.489 ( -9.325 -0.635 -2.490) 9.673 7.980 ( -7.743 -3.026 -0.164) 8.315 8.762 ( -1.329 7.057 11.075) 13.200 9.392 ( -1.174 -13.457 3.537) 13.964 9.535 ( -8.423 -20.658 1.996) 22.399 9.787 ( 2.911 15.794 1.553) 16.135 10.618 ( 3.253 26.408 2.850) 26.760 11.953 ( 5.785 21.520 -4.234) 22.683 12.068 ( 4.021 -1.001 -5.523) 6.904 12.404 ( -10.896 4.593 -0.964) 11.864 13.047 ( 0.860 3.639 2.704) 4.614 13.323 ( 4.374 -4.307 -3.157) 6.902 13.887 ( -2.432 9.504 -4.417) 10.759 15.054 ( 3.270 -16.028 -19.620) 25.545 17.922 ( 9.440 -17.182 13.581) 23.849 19.106 ( 3.679 -11.228 -21.300) 24.358 19.530 ( 7.683 7.814 -2.445) 11.228 20.263 ( -8.675 -1.893 -9.286) 12.848 20.884 ( 21.920 11.247 6.651) 25.519 22.344 ( -13.881 -17.901 6.420) 23.545 23.852 ( 3.985 5.335 -1.882) 6.920 24.218 ( -20.657 4.666 -4.463) 21.642 ======================= Grid point 406 (197/432) ======================= q-point: (-0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -5.721 10.579 20.518) 23.783 2.051 ( 7.991 10.159 18.264) 22.375 3.219 ( -2.570 -4.991 -3.895) 6.833 3.333 ( 0.597 9.872 22.949) 24.989 3.651 ( 1.492 -6.348 -4.865) 8.135 3.957 ( -1.788 1.337 5.382) 5.827 4.152 ( 5.099 -8.882 -1.911) 10.418 4.863 ( 5.598 5.847 -7.196) 10.831 5.414 ( -1.982 -2.569 1.193) 3.457 5.576 ( -6.485 1.089 18.906) 20.017 6.190 ( -6.635 -2.671 18.487) 19.822 6.249 ( -2.516 -8.042 8.499) 11.968 6.368 ( -6.378 -16.611 17.776) 25.152 6.703 ( 4.095 -5.468 -0.158) 6.833 7.279 ( -11.389 2.402 -7.424) 13.805 7.940 ( -11.821 -4.459 12.086) 17.484 8.858 ( 0.636 1.153 10.489) 10.571 9.440 ( -7.243 -11.362 -0.842) 13.501 9.690 ( 5.415 15.436 3.295) 16.686 9.748 ( 2.976 -12.561 6.051) 14.256 10.504 ( 2.557 17.446 2.300) 17.782 11.773 ( 5.020 24.758 -5.138) 25.779 11.991 ( 2.029 1.026 -13.863) 14.048 12.257 ( -9.399 -4.324 -0.596) 10.363 13.053 ( 1.200 8.634 5.351) 10.228 13.414 ( 7.244 -1.070 0.998) 7.390 13.738 ( -3.266 6.060 -3.098) 7.549 14.950 ( -0.880 -12.795 -21.466) 25.005 18.255 ( 9.052 -10.765 2.922) 14.365 18.929 ( -13.207 -15.822 -16.076) 26.138 19.639 ( 16.195 2.894 -3.467) 16.813 20.036 ( -8.998 2.401 -9.494) 13.299 21.132 ( 16.300 7.165 8.261) 19.628 22.385 ( -10.137 -14.030 3.235) 17.609 23.804 ( -12.394 9.190 -3.985) 15.936 23.871 ( -1.642 4.352 -2.673) 5.365 ======================= Grid point 407 (198/432) ======================= q-point: (-0.09 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -1.475 5.569 23.395) 24.094 2.301 ( 10.157 7.502 16.477) 20.759 3.190 ( 0.123 -4.759 -5.117) 6.989 3.508 ( 2.859 7.054 12.475) 14.614 3.638 ( -0.348 -8.101 -8.658) 11.862 3.983 ( 1.466 2.058 2.495) 3.551 4.247 ( 3.197 -5.061 -1.771) 6.243 4.761 ( 2.819 10.993 -7.405) 13.551 5.430 ( -1.829 -1.061 5.680) 6.060 5.657 ( -9.289 2.129 14.872) 17.664 6.247 ( -9.347 -1.083 8.630) 12.768 6.509 ( -4.825 -7.931 28.547) 30.019 6.540 ( -3.315 -4.920 1.894) 6.227 6.800 ( 1.789 -5.375 2.521) 6.200 7.087 ( -8.604 -2.533 1.588) 9.109 8.023 ( -12.906 -8.901 19.156) 24.754 8.983 ( 1.832 -1.574 7.452) 7.834 9.420 ( -5.490 -4.748 2.783) 7.774 9.701 ( 5.079 16.698 6.288) 18.551 9.883 ( -1.056 -3.578 0.850) 3.826 10.515 ( 7.956 -3.278 1.183) 8.686 11.574 ( 5.350 24.531 -3.209) 25.312 11.852 ( 3.034 0.435 -13.580) 13.922 12.182 ( -5.228 -9.022 -6.182) 12.122 13.055 ( 0.183 12.702 8.276) 15.161 13.511 ( 2.505 -2.280 -1.025) 3.539 13.656 ( 3.314 4.843 -0.427) 5.884 14.768 ( -3.805 -9.021 -19.664) 21.967 18.435 ( 11.788 -4.317 -4.988) 13.508 18.698 ( -16.859 -14.274 -11.074) 24.710 19.594 ( -9.487 8.583 -8.032) 15.106 19.883 ( 2.071 0.461 -4.247) 4.747 21.411 ( 12.549 -3.751 10.378) 16.711 22.367 ( -3.544 -3.008 -3.432) 5.778 23.507 ( -10.364 8.943 -1.015) 13.727 23.884 ( 5.563 0.682 -2.235) 6.034 ======================= Grid point 411 (199/432) ======================= q-point: ( 0.27 -0.73 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -12.872 -0.000 -1.702) 12.984 2.638 ( -7.613 -0.000 -9.700) 12.331 3.108 ( -5.337 -0.000 0.147) 5.339 3.113 ( -8.150 -0.000 1.915) 8.372 3.618 ( 1.938 0.000 11.211) 11.378 3.854 ( 4.117 0.000 -17.243) 17.728 4.401 ( 5.294 0.000 -0.778) 5.351 4.555 ( -0.199 -0.000 1.997) 2.007 4.832 ( -23.697 -0.000 -3.833) 24.005 5.280 ( -4.878 -0.000 0.605) 4.916 5.716 ( -13.838 -0.000 1.691) 13.941 5.898 ( -5.931 -0.000 8.529) 10.389 6.813 ( -9.104 -0.000 -0.307) 9.109 6.940 ( -9.402 -0.000 -3.804) 10.143 7.903 ( 1.788 0.000 -9.217) 9.388 8.050 ( -21.248 -0.000 25.150) 32.924 8.540 ( -7.084 -0.000 15.828) 17.340 9.382 ( -10.750 -0.000 -8.012) 13.407 9.473 ( -8.811 -0.000 6.792) 11.125 9.719 ( -1.323 -0.000 -8.962) 9.060 11.546 ( 13.096 0.000 10.754) 16.945 11.903 ( 16.010 0.000 -6.385) 17.237 12.398 ( 8.269 0.000 -5.069) 9.699 12.703 ( 0.246 0.000 1.581) 1.600 13.205 ( -7.220 -0.000 -11.583) 13.649 13.228 ( -14.447 -0.000 11.471) 18.447 13.468 ( 20.616 0.000 11.805) 23.756 14.472 ( 13.266 0.000 -10.984) 17.223 17.276 ( -7.434 -0.000 -9.652) 12.183 18.960 ( 6.933 0.000 11.362) 13.310 19.406 ( 12.315 0.000 -2.287) 12.526 19.484 ( 11.462 0.000 3.435) 11.966 21.309 ( -0.983 -0.000 -20.815) 20.838 22.537 ( -12.865 -0.000 1.385) 12.939 23.884 ( 8.462 0.000 10.721) 13.659 24.211 ( 1.173 0.000 3.725) 3.906 ======================= Grid point 413 (200/432) ======================= q-point: (-0.64 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -11.145 4.609 3.630) 12.595 2.434 ( -7.383 4.956 -5.041) 10.222 3.044 ( -5.512 -2.608 3.322) 6.944 3.089 ( -7.484 -7.149 3.349) 10.878 3.685 ( -1.465 -0.803 -13.229) 13.334 3.707 ( -2.832 2.355 6.422) 7.404 4.403 ( -10.641 4.111 -1.860) 11.559 4.543 ( -1.792 -0.128 3.514) 3.947 4.636 ( -1.253 -11.324 -3.183) 11.829 5.283 ( 0.404 -1.457 3.833) 4.120 5.550 ( -16.046 -0.084 4.080) 16.557 5.947 ( -3.138 0.477 9.834) 10.333 6.605 ( -16.639 4.328 -0.995) 17.221 6.799 ( -10.290 -6.069 -4.038) 12.610 7.828 ( 1.338 0.177 -7.782) 7.899 8.019 ( -17.226 0.992 14.217) 22.357 8.653 ( -4.381 -0.286 15.827) 16.425 9.193 ( -7.784 -7.705 -8.143) 13.648 9.405 ( -12.282 1.352 6.695) 14.054 9.673 ( 2.371 1.069 -0.163) 2.606 11.756 ( 9.184 8.903 3.928) 13.380 11.977 ( 11.875 10.163 -2.157) 15.779 12.384 ( 5.348 7.864 -5.499) 10.986 12.770 ( 0.266 -13.753 -1.335) 13.820 12.998 ( -4.998 2.810 -7.339) 9.313 13.147 ( -13.476 -2.027 6.898) 15.274 13.882 ( 17.178 -0.429 12.090) 21.011 14.534 ( 14.519 -6.697 -14.200) 21.384 17.116 ( -4.760 -0.002 -3.276) 5.778 19.146 ( 11.284 0.524 -1.642) 11.415 19.555 ( 8.519 0.025 4.763) 9.760 19.765 ( 22.852 -0.742 4.892) 23.382 21.034 ( -3.973 1.708 -19.338) 19.816 22.364 ( -15.530 -3.936 -1.187) 16.065 24.054 ( 2.804 6.481 8.856) 11.327 24.287 ( -0.363 -5.388 5.738) 7.880 ======================= Grid point 414 (201/432) ======================= q-point: (-0.55 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -8.184 14.229 3.835) 16.857 2.315 ( -7.458 9.922 10.287) 16.122 3.086 ( -3.894 -9.599 2.546) 10.667 3.124 ( -5.242 -10.166 6.323) 13.069 3.533 ( -2.816 -0.335 -8.158) 8.637 3.695 ( -5.348 1.492 4.950) 7.438 4.190 ( -8.776 3.504 -0.270) 9.454 4.655 ( 1.459 -9.926 -4.110) 10.842 4.694 ( 1.535 -5.082 7.824) 9.455 5.391 ( -0.794 -3.929 8.161) 9.092 5.427 ( -11.294 -1.282 7.836) 13.806 6.022 ( -2.076 0.856 9.170) 9.441 6.335 ( -19.847 1.158 1.325) 19.925 6.671 ( -9.483 -6.840 -4.901) 12.678 7.740 ( -2.849 2.190 -4.509) 5.766 7.950 ( -7.107 -1.280 2.729) 7.720 8.789 ( -2.780 0.073 15.317) 15.567 9.109 ( -5.997 -10.738 -6.015) 13.691 9.304 ( -15.082 -1.912 7.192) 16.818 9.742 ( 4.399 1.825 5.961) 7.630 11.681 ( 6.555 29.029 -3.947) 30.020 12.046 ( 6.237 4.873 2.617) 8.336 12.317 ( 3.065 5.656 -4.736) 7.989 12.856 ( -0.588 6.315 -3.546) 7.267 12.876 ( -2.238 -12.551 0.164) 12.750 13.101 ( -6.889 -6.362 2.709) 9.760 14.144 ( 9.040 2.624 4.055) 10.249 14.634 ( 13.581 -13.524 -15.132) 24.420 17.102 ( 0.298 -2.116 5.446) 5.850 19.196 ( 13.346 0.516 -16.082) 20.905 19.690 ( 1.892 1.969 6.279) 6.847 20.178 ( 30.198 0.607 4.684) 30.565 20.747 ( -6.727 1.116 -15.035) 16.509 22.198 ( -15.510 -6.933 0.680) 17.003 24.067 ( -0.126 9.685 4.041) 10.495 24.395 ( -4.981 -8.059 6.599) 11.546 ======================= Grid point 415 (202/432) ======================= q-point: (-0.45 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -4.605 17.556 11.041) 21.245 2.261 ( -5.915 16.039 13.869) 22.014 3.126 ( -5.719 -8.908 2.551) 10.889 3.238 ( -2.956 -8.114 5.212) 10.087 3.456 ( -1.016 -1.132 0.269) 1.544 3.698 ( -2.718 -2.916 4.573) 6.066 4.113 ( -1.603 4.917 2.332) 5.674 4.705 ( 2.632 -13.002 -4.308) 13.948 4.897 ( 1.015 -4.745 14.189) 14.995 5.405 ( -12.027 -6.242 13.730) 19.291 5.555 ( 1.639 -4.032 7.879) 9.001 6.063 ( -6.001 0.725 7.264) 9.449 6.161 ( -13.282 -3.059 6.743) 15.207 6.570 ( -4.955 -6.077 -4.820) 9.204 7.620 ( -5.382 3.508 -1.885) 6.696 7.927 ( -0.927 -5.540 -3.770) 6.765 8.909 ( -3.072 4.608 11.943) 13.165 9.064 ( -5.440 -8.969 0.586) 10.506 9.236 ( -14.746 -10.725 5.611) 19.077 9.875 ( 5.388 3.372 8.478) 10.596 11.420 ( 4.020 35.316 -4.410) 35.817 12.077 ( 3.633 2.067 -3.408) 5.393 12.272 ( 1.764 6.644 0.345) 6.883 12.734 ( -4.726 10.986 0.921) 11.994 12.958 ( 1.124 -10.048 -1.966) 10.300 13.140 ( 0.867 -6.910 0.977) 7.033 14.171 ( 1.562 5.967 -3.838) 7.265 14.738 ( 9.290 -16.953 -16.041) 25.120 17.297 ( 6.122 -7.467 13.625) 16.699 19.119 ( 9.883 -3.251 -25.087) 27.158 19.706 ( -0.249 6.426 1.924) 6.712 20.408 ( -0.072 -1.924 -15.748) 15.866 20.706 ( 22.671 4.941 9.252) 24.979 22.109 ( -13.123 -8.922 4.636) 16.532 24.012 ( -0.630 8.437 1.131) 8.535 24.406 ( -11.443 -5.785 2.659) 13.095 ======================= Grid point 416 (203/432) ======================= q-point: (-0.36 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -2.158 13.340 13.452) 19.067 2.220 ( -2.518 18.562 14.466) 23.668 3.142 ( -4.661 -7.053 0.047) 8.455 3.313 ( -1.079 0.782 10.126) 10.214 3.515 ( 2.021 -4.526 1.191) 5.098 3.785 ( 0.196 -7.331 5.427) 9.124 4.084 ( -0.431 6.489 3.529) 7.399 4.833 ( 8.215 -7.212 -3.239) 11.402 5.122 ( -2.216 -7.846 17.600) 19.397 5.511 ( -6.296 -4.650 13.754) 15.825 5.690 ( -5.248 -11.665 11.441) 17.161 6.090 ( -5.288 -2.619 10.555) 12.092 6.149 ( -7.798 -2.281 8.946) 12.085 6.547 ( 1.030 -4.881 -2.595) 5.623 7.500 ( -6.452 2.265 -2.610) 7.319 7.899 ( -2.930 -5.807 -5.306) 8.394 8.892 ( -6.036 7.469 9.752) 13.686 9.173 ( -6.356 -12.099 7.114) 15.408 9.245 ( -3.970 -13.510 4.846) 14.892 9.990 ( 4.877 8.464 7.301) 12.195 11.126 ( 2.291 33.113 -2.755) 33.307 12.041 ( 4.099 -0.179 -9.322) 10.185 12.239 ( -1.463 8.608 3.435) 9.383 12.546 ( -5.746 13.201 -4.871) 15.198 13.029 ( 1.242 -7.388 -0.805) 7.535 13.258 ( 6.535 -1.665 4.492) 8.103 14.035 ( -4.107 7.562 -5.279) 10.096 14.769 ( 4.365 -17.289 -19.151) 26.167 17.667 ( 9.252 -12.692 15.954) 22.387 18.936 ( 0.712 -8.593 -26.176) 27.559 19.667 ( 6.390 7.894 -3.204) 10.650 20.201 ( -8.708 -4.631 -10.995) 14.770 21.079 ( 24.836 11.007 7.906) 28.293 22.110 ( -8.975 -10.443 6.114) 15.066 23.947 ( 0.040 5.869 -0.890) 5.936 24.248 ( -16.858 -0.535 -2.150) 17.003 ======================= Grid point 417 (204/432) ======================= q-point: (-0.27 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.638 10.818 13.519) 17.326 2.254 ( 3.267 13.677 15.623) 21.019 3.127 ( -3.068 -5.674 -2.839) 7.048 3.435 ( 1.937 -0.745 7.694) 7.969 3.576 ( 1.977 -0.973 1.165) 2.493 3.912 ( -2.715 -7.350 5.769) 9.730 4.104 ( 5.389 4.833 4.520) 8.534 4.927 ( 9.256 1.391 -4.810) 10.523 5.336 ( -2.281 -6.549 10.031) 12.195 5.606 ( -6.226 2.355 17.792) 18.996 5.934 ( -6.474 -21.458 18.299) 28.935 6.195 ( -9.573 -3.875 14.425) 17.741 6.210 ( 0.401 -2.267 11.889) 12.110 6.608 ( 3.989 -5.388 -0.682) 6.739 7.316 ( -10.278 2.169 -7.705) 13.027 7.857 ( -5.349 -4.738 1.503) 7.302 8.901 ( -4.572 3.438 11.279) 12.647 9.220 ( -8.168 -13.371 3.381) 16.029 9.477 ( 5.701 -13.630 7.762) 16.689 10.021 ( 5.141 16.683 6.094) 18.491 10.873 ( -0.191 25.839 -0.922) 25.856 11.979 ( 5.130 0.422 -12.010) 13.067 12.148 ( -4.765 9.619 0.366) 10.741 12.268 ( -5.279 12.028 -9.784) 16.378 13.103 ( 1.349 -3.637 2.617) 4.680 13.423 ( 8.950 3.255 6.426) 11.488 13.850 ( -6.247 6.455 -3.397) 9.604 14.703 ( 0.468 -16.017 -21.221) 26.591 18.057 ( 9.009 -12.039 11.023) 18.644 18.703 ( -7.613 -11.018 -19.549) 23.696 19.689 ( 12.290 2.967 -6.854) 14.381 20.012 ( -9.016 -4.069 -8.311) 12.920 21.310 ( 12.410 13.085 7.741) 19.626 22.193 ( 0.301 -9.302 3.496) 9.942 23.894 ( -0.633 3.473 -2.968) 4.613 23.962 ( -15.733 4.707 -3.315) 16.753 ======================= Grid point 418 (205/432) ======================= q-point: (-0.18 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.182 8.765 15.966) 18.214 2.436 ( 10.125 8.053 14.983) 19.796 3.104 ( -1.032 -5.038 -3.916) 6.464 3.489 ( -1.088 -7.657 -5.744) 9.634 3.630 ( 3.535 4.670 3.816) 6.990 3.956 ( -3.138 -5.574 1.043) 6.481 4.238 ( 8.476 4.526 6.813) 11.779 4.926 ( 5.881 8.226 -5.495) 11.508 5.412 ( -2.900 -1.349 6.432) 7.183 5.694 ( -9.209 2.163 15.904) 18.504 6.205 ( -7.943 -7.107 8.051) 13.357 6.321 ( -5.533 -11.026 26.968) 29.655 6.440 ( 1.513 -6.534 15.403) 16.800 6.705 ( 3.265 -5.553 1.150) 6.543 7.062 ( -12.144 -0.151 -5.253) 13.232 7.884 ( -6.421 -6.729 7.450) 11.917 8.968 ( -2.031 -0.918 9.223) 9.488 9.277 ( -5.268 -11.066 3.914) 12.866 9.723 ( 1.516 -10.185 4.922) 11.413 10.034 ( 8.447 18.558 8.445) 22.069 10.657 ( -1.504 17.464 -1.560) 17.598 11.854 ( -3.014 0.489 -12.899) 13.255 11.961 ( 0.976 17.657 -5.858) 18.629 12.083 ( 1.037 0.372 -6.721) 6.811 13.180 ( 0.828 0.137 5.319) 5.385 13.515 ( -0.882 4.387 1.284) 4.655 13.748 ( 3.655 5.718 1.668) 6.988 14.576 ( -1.837 -13.535 -19.773) 24.032 18.340 ( 9.770 -7.242 3.027) 12.532 18.486 ( -11.305 -10.106 -11.641) 19.117 19.676 ( -2.004 0.959 -10.749) 10.976 19.881 ( -0.183 -0.683 -4.241) 4.299 21.404 ( 1.093 3.581 8.153) 8.972 22.331 ( 10.535 -1.367 -0.818) 10.655 23.646 ( -12.322 7.099 -3.550) 14.657 23.895 ( 2.375 0.600 -1.718) 2.992 ======================= Grid point 419 (206/432) ======================= q-point: (-0.09 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.305 2.237 17.417) 17.563 2.689 ( 11.712 7.294 13.755) 19.482 3.098 ( 1.243 -4.808 -4.272) 6.551 3.443 ( -1.652 -8.217 -9.317) 12.532 3.632 ( 0.284 5.205 -1.428) 5.405 3.963 ( 1.126 -5.155 -5.720) 7.782 4.361 ( 7.411 7.525 4.320) 11.411 4.833 ( 2.726 12.627 -3.334) 13.341 5.459 ( -6.266 -1.743 8.786) 10.932 5.709 ( -10.111 2.081 12.558) 16.256 6.193 ( -10.113 -1.392 6.406) 12.052 6.403 ( -9.696 -0.380 -3.262) 10.237 6.740 ( 0.233 -4.687 12.795) 13.628 6.846 ( 0.657 -5.075 11.630) 12.706 7.033 ( -5.675 -9.902 19.823) 22.874 7.964 ( -6.279 -10.363 7.855) 14.440 9.054 ( -3.813 -1.652 8.226) 9.216 9.379 ( -2.132 -8.182 8.061) 11.682 9.691 ( -10.554 3.814 -3.356) 11.713 10.143 ( 12.095 12.364 9.276) 19.627 10.591 ( 5.544 2.186 0.053) 5.960 11.590 ( -13.276 -2.118 -13.055) 18.739 11.850 ( 11.828 12.635 -4.000) 17.764 12.083 ( 8.957 0.069 -5.857) 10.703 13.227 ( -0.926 7.044 6.742) 9.795 13.415 ( -7.585 -2.940 -2.338) 8.464 13.821 ( 9.185 7.524 0.669) 11.892 14.449 ( -1.501 -9.145 -13.616) 16.470 18.302 ( -10.584 -6.844 -8.632) 15.276 18.515 ( 10.349 -3.771 -3.256) 11.486 19.428 ( -8.636 7.121 -9.073) 14.409 19.828 ( -6.872 1.118 -0.489) 6.980 21.507 ( -0.146 -10.690 3.409) 11.221 22.458 ( 15.303 8.670 -0.856) 17.609 23.448 ( -5.225 5.181 -1.891) 7.597 23.922 ( 3.656 -1.330 -1.014) 4.020 ======================= Grid point 424 (207/432) ======================= q-point: ( 0.36 -0.64 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -4.896 -0.000 1.166) 5.032 2.389 ( -3.766 -0.000 12.678) 13.226 3.001 ( -6.086 -0.000 3.553) 7.048 3.009 ( -7.228 -0.000 6.530) 9.741 3.524 ( 1.309 0.000 -11.647) 11.721 3.704 ( -8.110 -0.000 4.128) 9.100 4.242 ( -10.705 -0.000 1.385) 10.794 4.546 ( 2.302 0.000 -6.664) 7.051 4.661 ( 3.495 0.000 10.699) 11.256 5.356 ( -3.525 -0.000 8.128) 8.859 5.417 ( -10.883 -0.000 8.704) 13.936 6.029 ( -1.864 -0.000 8.963) 9.154 6.353 ( -23.691 -0.000 2.009) 23.776 6.602 ( -6.287 -0.000 -6.526) 9.062 7.764 ( 1.951 0.000 -6.867) 7.139 7.938 ( -13.146 -0.000 5.309) 14.178 8.789 ( -3.620 -0.000 16.036) 16.440 9.001 ( -4.046 -0.000 -5.553) 6.871 9.304 ( -15.911 -0.000 6.992) 17.379 9.758 ( 4.642 0.000 5.663) 7.323 11.940 ( 6.588 0.000 2.104) 6.915 12.103 ( 8.579 0.000 -6.007) 10.473 12.439 ( 4.524 0.000 -4.492) 6.375 12.647 ( -4.227 -0.000 -1.544) 4.500 12.939 ( 4.453 0.000 -4.177) 6.105 13.042 ( -13.998 -0.000 7.907) 16.077 14.171 ( 8.946 0.000 7.116) 11.430 14.509 ( 14.417 0.000 -17.584) 22.738 17.085 ( -0.028 -0.000 3.927) 3.927 19.198 ( 13.456 0.000 -18.231) 22.659 19.710 ( 2.135 0.000 8.823) 9.078 20.183 ( 31.005 0.000 4.816) 31.377 20.756 ( -6.745 -0.000 -16.370) 17.705 22.141 ( -14.930 -0.000 0.897) 14.957 24.194 ( -3.732 -0.000 9.014) 9.756 24.282 ( -2.035 -0.000 2.187) 2.987 ======================= Grid point 426 (208/432) ======================= q-point: (-0.55 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -5.372 8.597 6.479) 12.031 2.513 ( 0.533 11.744 16.337) 20.128 2.995 ( -5.401 -5.242 4.326) 8.681 3.044 ( -5.276 -10.788 6.046) 13.445 3.453 ( 5.052 -0.164 -8.054) 9.508 3.665 ( -4.162 -0.883 4.524) 6.210 4.195 ( -3.901 3.258 8.251) 9.690 4.532 ( 3.398 -6.039 -4.825) 8.444 4.845 ( 1.909 -1.412 12.817) 13.035 5.317 ( -17.108 -3.198 15.158) 23.080 5.523 ( 2.353 -0.598 8.812) 9.141 6.080 ( -6.602 1.422 6.163) 9.143 6.120 ( -15.292 -2.034 6.653) 16.800 6.488 ( -2.196 -2.876 -5.123) 6.272 7.701 ( 0.189 5.130 -4.739) 6.986 7.833 ( -5.861 -5.270 -3.466) 8.610 8.918 ( -4.485 -1.118 14.476) 15.196 8.951 ( -1.578 -4.140 -0.738) 4.491 9.169 ( -17.575 0.089 8.119) 19.360 9.911 ( 5.619 1.033 9.342) 10.951 11.923 ( 5.581 20.172 -4.920) 21.501 12.100 ( 3.605 0.210 -7.002) 7.879 12.378 ( -0.730 9.832 1.294) 9.944 12.681 ( -1.103 -20.221 -4.739) 20.799 12.915 ( -5.639 9.050 5.001) 11.777 13.058 ( 4.469 -4.746 3.820) 7.555 14.253 ( 0.100 3.758 -0.263) 3.769 14.509 ( 11.664 -8.912 -18.483) 23.603 17.216 ( 5.470 -2.337 10.902) 12.419 19.076 ( 8.232 -1.471 -27.674) 28.910 19.788 ( -0.367 2.754 4.843) 5.583 20.384 ( -1.937 -0.788 -17.879) 18.001 20.760 ( 27.581 1.554 8.550) 28.918 22.014 ( -11.815 -2.701 5.112) 13.153 24.151 ( -5.284 7.850 3.331) 10.031 24.295 ( -7.536 -6.981 1.960) 10.458 ======================= Grid point 427 (209/432) ======================= q-point: (-0.45 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -3.866 10.049 8.422) 13.669 2.542 ( -0.046 19.454 11.906) 22.808 3.027 ( -4.125 -6.180 2.477) 7.832 3.185 ( -1.751 -13.897 6.489) 15.437 3.474 ( 7.490 -1.470 -3.764) 8.510 3.711 ( -1.066 -1.399 6.772) 6.997 4.219 ( -1.354 8.271 8.723) 12.097 4.672 ( 9.739 -10.610 1.334) 14.463 5.022 ( -1.930 -3.764 14.636) 15.235 5.361 ( -13.765 -8.880 19.078) 25.146 5.628 ( -2.946 0.374 9.320) 9.781 6.047 ( -6.522 -1.581 10.467) 12.433 6.118 ( -4.729 -2.103 5.737) 7.726 6.478 ( 1.775 -2.997 -1.291) 3.715 7.562 ( -5.663 4.628 -5.202) 8.974 7.802 ( 1.843 -5.502 -6.840) 8.970 8.979 ( -4.161 1.527 6.484) 7.854 9.004 ( -12.779 -7.312 10.501) 18.084 9.098 ( -3.907 -3.417 9.074) 10.454 10.085 ( 5.733 3.318 10.436) 12.361 11.677 ( 2.750 30.451 -7.716) 31.534 12.043 ( 4.024 0.194 -10.109) 10.883 12.309 ( -7.402 2.322 2.814) 8.253 12.741 ( 0.960 -1.777 -9.590) 9.801 12.851 ( -4.979 -3.112 8.222) 10.103 13.252 ( 11.160 -0.383 7.114) 13.240 14.139 ( -6.156 5.062 -4.540) 9.172 14.504 ( 6.246 -13.211 -19.511) 24.377 17.506 ( 9.227 -6.404 15.225) 18.919 18.825 ( 0.695 -4.556 -28.324) 28.697 19.783 ( 3.027 5.579 -1.938) 6.637 20.126 ( -8.733 -3.949 -14.079) 17.032 21.231 ( 30.757 6.630 7.958) 32.454 21.982 ( -8.451 -4.992 6.179) 11.598 24.045 ( -4.558 5.722 0.035) 7.316 24.213 ( -12.786 -3.428 -1.094) 13.283 ======================= Grid point 428 (210/432) ======================= q-point: (-0.36 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.556 9.119 9.021) 13.080 2.508 ( -0.382 16.536 10.900) 19.809 3.036 ( -2.700 -4.877 -0.847) 5.638 3.327 ( -1.161 -10.166 2.137) 10.453 3.569 ( 9.320 -1.642 -1.957) 9.664 3.795 ( -4.620 -5.277 7.576) 10.324 4.248 ( 4.105 10.758 8.763) 14.470 4.901 ( 12.640 -4.737 -1.429) 13.574 5.214 ( -3.460 -7.138 15.950) 17.814 5.568 ( -8.260 -14.913 24.696) 30.009 5.678 ( -6.122 0.639 11.423) 12.975 6.139 ( -3.567 -2.242 11.956) 12.676 6.181 ( -2.150 -2.139 10.033) 10.482 6.533 ( 3.178 -3.359 0.257) 4.631 7.353 ( -9.884 2.054 -8.918) 13.470 7.800 ( 2.727 -1.862 -3.846) 5.069 8.930 ( -14.590 -3.345 10.094) 18.054 9.050 ( -5.618 -3.207 9.022) 11.101 9.289 ( 5.710 -8.886 9.077) 13.927 10.231 ( 5.610 8.387 9.968) 14.183 11.347 ( -0.255 29.335 -7.534) 30.288 11.979 ( 5.862 -0.130 -12.202) 13.537 12.178 ( -13.091 -0.149 -1.206) 13.147 12.567 ( 0.579 15.853 -7.850) 17.700 12.965 ( -0.883 -10.572 4.332) 11.459 13.495 ( 12.525 3.916 9.528) 16.217 13.939 ( -10.192 4.003 -3.354) 11.452 14.437 ( 2.222 -14.682 -21.412) 26.057 17.877 ( 9.474 -8.868 14.859) 19.728 18.557 ( -3.487 -6.399 -21.302) 22.514 19.737 ( 5.603 2.698 -9.957) 11.739 19.933 ( -6.754 -4.740 -7.196) 10.949 21.539 ( 13.007 13.541 6.636) 19.914 22.056 ( 5.858 -7.589 3.438) 10.185 23.946 ( -3.488 2.724 -2.802) 5.238 24.011 ( -14.403 1.340 -2.469) 14.674 ======================= Grid point 429 (211/432) ======================= q-point: (-0.27 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 3.685 10.913 9.007) 14.622 2.566 ( 5.629 7.523 12.791) 15.871 3.032 ( -0.650 -3.250 -1.639) 3.697 3.365 ( -1.939 -7.088 -3.936) 8.336 3.668 ( 6.667 -0.095 -1.702) 6.881 3.831 ( -5.629 -8.330 1.236) 10.129 4.364 ( 9.416 9.246 9.289) 16.138 5.024 ( 9.461 3.037 -3.472) 10.525 5.372 ( -3.999 -3.579 11.186) 12.406 5.725 ( -8.449 0.754 13.340) 15.809 5.935 ( -5.201 -18.460 23.901) 30.645 6.255 ( -6.405 -1.180 17.276) 18.462 6.340 ( 2.766 -4.555 13.791) 14.784 6.620 ( 3.716 -4.548 1.328) 6.021 7.075 ( -12.862 1.302 -9.534) 16.063 7.816 ( 0.966 -1.205 0.208) 1.558 8.919 ( -10.782 -6.559 9.406) 15.739 9.117 ( -4.891 -5.443 8.383) 11.128 9.556 ( 6.074 -8.929 8.499) 13.742 10.318 ( 5.764 14.024 8.993) 17.629 11.020 ( -2.798 24.196 -6.441) 25.194 11.854 ( -6.859 -0.227 -13.464) 15.112 12.011 ( -1.245 -0.208 -5.681) 5.819 12.352 ( 3.911 19.438 -7.173) 21.085 13.084 ( -1.134 -9.532 3.482) 10.211 13.622 ( -5.164 6.313 2.651) 8.576 13.838 ( 5.603 4.670 5.750) 9.287 14.329 ( 0.226 -15.094 -20.464) 25.430 18.203 ( 5.673 -8.154 10.183) 14.226 18.365 ( -2.664 -4.923 -12.477) 13.675 19.640 ( -1.820 -4.289 -12.422) 13.267 19.870 ( 2.486 -0.476 -3.900) 4.649 21.519 ( -6.053 9.060 3.422) 11.421 22.315 ( 20.528 -0.746 1.590) 20.603 23.740 ( -11.954 4.164 -4.846) 13.555 23.902 ( -1.805 0.180 -1.039) 2.090 ======================= Grid point 430 (212/432) ======================= q-point: (-0.18 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -1.707 5.915 10.718) 12.360 2.789 ( 11.678 4.487 11.490) 16.986 3.038 ( 1.180 -2.080 -1.402) 2.772 3.328 ( -0.929 -5.069 -7.068) 8.748 3.686 ( -1.654 0.357 -0.399) 1.738 3.847 ( 3.045 -7.701 -7.207) 10.978 4.505 ( 9.172 8.585 5.437) 13.689 5.020 ( 4.643 9.258 -3.086) 10.806 5.443 ( -6.375 -0.440 9.981) 11.851 5.734 ( -10.355 0.341 10.053) 14.436 6.132 ( -10.050 -6.608 10.766) 16.142 6.373 ( -7.626 -2.736 6.150) 10.172 6.637 ( 3.538 -7.214 13.464) 15.679 6.761 ( 0.670 -4.855 8.296) 9.635 6.885 ( -7.149 -5.864 12.273) 15.366 7.849 ( 0.759 -3.083 0.682) 3.248 8.970 ( -8.556 -8.593 9.506) 15.408 9.221 ( -2.578 -8.461 8.453) 12.235 9.718 ( -2.375 -0.934 3.869) 4.635 10.364 ( 5.270 13.179 6.752) 15.718 10.761 ( 1.620 16.381 -3.501) 16.829 11.545 ( -16.209 -1.329 -12.954) 20.792 11.987 ( 9.261 2.684 -7.442) 12.180 12.217 ( 8.995 14.972 -4.207) 17.966 13.171 ( -3.250 -9.841 2.272) 10.610 13.463 ( -10.206 4.717 0.728) 11.267 13.956 ( 6.605 7.500 1.206) 10.066 14.272 ( 4.407 -11.160 -10.367) 15.857 18.216 ( -7.806 -3.341 -3.844) 9.320 18.442 ( 9.567 -4.794 0.077) 10.701 19.484 ( -3.598 -0.216 -10.771) 11.358 19.854 ( -2.162 1.574 -1.223) 2.941 21.403 ( -6.497 -1.612 -1.155) 6.793 22.586 ( 21.201 6.676 1.862) 22.305 23.528 ( -6.868 4.247 -3.656) 8.864 23.893 ( 0.295 -2.208 -0.396) 2.263 ======================= Grid point 431 (213/432) ======================= q-point: (-0.09 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -6.229 -3.022 10.531) 12.603 2.959 ( 0.776 1.158 5.553) 5.725 3.114 ( 9.345 0.756 1.940) 9.574 3.288 ( 2.928 -3.674 -6.779) 8.248 3.612 ( -4.455 4.087 -2.558) 6.564 3.863 ( 5.453 -5.888 -9.506) 12.441 4.558 ( 8.020 10.143 -2.153) 13.109 4.963 ( 3.140 11.052 0.851) 11.521 5.424 ( -12.804 0.716 7.481) 14.847 5.696 ( -10.952 -0.713 7.121) 13.083 6.118 ( -11.340 -0.818 6.214) 12.957 6.207 ( -12.523 1.592 -5.379) 13.722 6.794 ( 0.666 -1.463 3.020) 3.421 6.842 ( -4.670 -12.242 9.129) 15.969 7.300 ( -0.152 -7.250 36.438) 37.153 7.906 ( 3.813 -5.549 -2.622) 7.226 9.032 ( -12.395 -6.117 11.584) 18.034 9.382 ( -1.225 -10.317 8.202) 13.237 9.565 ( -10.274 10.088 -3.081) 14.725 10.411 ( 4.962 5.713 2.318) 7.914 10.752 ( 9.758 5.190 2.266) 11.282 11.188 ( -15.222 -2.808 -12.798) 20.084 12.044 ( 13.838 3.086 -4.469) 14.866 12.238 ( 12.626 8.394 0.048) 15.161 13.209 ( -7.752 -11.384 0.910) 13.803 13.337 ( -4.208 7.102 3.049) 8.800 13.886 ( -1.824 1.596 -8.779) 9.107 14.382 ( 11.080 0.863 0.686) 11.135 18.071 ( -8.002 -0.373 -7.500) 10.974 18.569 ( 8.068 -2.729 -2.851) 8.982 19.334 ( 0.016 6.036 -5.118) 7.914 19.732 ( -12.470 4.705 1.867) 13.458 21.376 ( 0.128 -12.105 -7.048) 14.008 22.790 ( 15.516 12.006 5.277) 20.316 23.413 ( 0.078 2.132 -3.736) 4.303 23.937 ( 1.673 -3.589 1.506) 4.236 ======================= Grid point 437 (214/432) ======================= q-point: ( 0.45 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -4.746 -0.000 6.092) 7.723 2.805 ( 3.620 0.000 13.701) 14.171 2.964 ( -4.703 -0.000 3.618) 5.933 2.967 ( -3.456 -0.000 4.173) 5.419 3.459 ( 9.585 0.000 -7.305) 12.051 3.706 ( -2.907 -0.000 8.722) 9.193 4.310 ( 1.683 0.000 10.566) 10.700 4.554 ( 6.781 0.000 2.779) 7.328 4.993 ( -1.109 -0.000 12.729) 12.777 5.282 ( -15.311 -0.000 18.550) 24.052 5.636 ( -2.512 -0.000 10.823) 11.110 6.038 ( -7.636 -0.000 11.566) 13.859 6.093 ( -3.306 -0.000 3.163) 4.575 6.452 ( 2.267 0.000 -0.428) 2.307 7.618 ( -9.538 -0.000 -7.612) 12.203 7.740 ( 8.084 0.000 -6.180) 10.176 8.936 ( -17.192 -0.000 12.246) 21.108 8.977 ( 3.610 0.000 5.181) 6.315 9.089 ( -9.337 -0.000 10.504) 14.054 10.112 ( 5.937 0.000 11.265) 12.734 12.015 ( 5.739 0.000 -9.950) 11.486 12.024 ( 2.512 0.000 -10.483) 10.780 12.368 ( -12.301 -0.000 -3.734) 12.856 12.543 ( 4.602 0.000 1.320) 4.787 12.921 ( -9.486 -0.000 8.698) 12.870 13.242 ( 15.291 0.000 5.514) 16.255 14.195 ( -9.937 -0.000 -1.740) 10.089 14.373 ( 9.998 0.000 -22.082) 24.240 17.452 ( 9.282 0.000 14.583) 17.286 18.786 ( 0.810 0.000 -28.946) 28.958 19.835 ( 1.527 0.000 0.219) 1.543 20.087 ( -8.606 -0.000 -16.901) 18.966 21.289 ( 34.217 0.000 7.756) 35.085 21.940 ( -9.524 -0.000 6.421) 11.486 24.125 ( -10.280 -0.000 2.849) 10.668 24.152 ( -7.319 -0.000 -3.270) 8.016 ======================= Grid point 439 (215/432) ======================= q-point: (-0.45 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 1.799 3.774 6.965) 8.123 2.793 ( -2.304 16.103 5.293) 17.106 2.973 ( -1.423 -2.169 1.200) 2.858 3.118 ( 0.999 -13.782 4.966) 14.684 3.536 ( 12.698 -1.398 -5.803) 14.032 3.740 ( -9.099 -1.552 8.627) 12.635 4.427 ( 6.809 8.943 6.529) 12.999 4.777 ( 10.564 -8.001 6.759) 14.876 5.127 ( -3.988 -2.680 15.579) 16.303 5.375 ( -8.128 -5.931 20.087) 22.466 5.716 ( -6.152 1.755 14.707) 16.038 6.115 ( -0.880 -0.673 6.978) 7.065 6.147 ( -1.242 -1.419 12.634) 12.774 6.497 ( 2.181 -1.034 1.295) 2.739 7.378 ( -10.421 0.782 -10.411) 14.751 7.789 ( 9.765 0.130 -6.412) 11.683 8.832 ( -21.911 -4.229 13.217) 25.935 9.085 ( -3.628 3.925 9.477) 10.881 9.172 ( 4.609 -5.329 9.598) 11.907 10.317 ( 6.104 2.346 11.889) 13.568 11.787 ( 0.399 20.062 -15.197) 25.171 11.964 ( 4.429 -2.679 -13.512) 14.470 12.176 ( -12.131 0.087 -0.698) 12.151 12.640 ( 3.147 -6.636 -2.975) 7.924 12.895 ( -6.819 3.439 8.924) 11.746 13.533 ( 16.393 0.689 8.347) 18.409 13.986 ( -15.078 1.553 -2.903) 15.433 14.249 ( 5.040 -6.502 -21.673) 23.182 17.774 ( 10.053 -3.161 15.724) 18.929 18.486 ( -1.486 -2.128 -21.700) 21.855 19.779 ( -4.249 2.052 -13.486) 14.287 19.866 ( 0.429 -2.874 -5.019) 5.800 21.747 ( 18.853 10.671 5.858) 22.442 21.925 ( 3.637 -8.082 3.664) 9.590 23.984 ( -7.691 1.674 -4.051) 8.853 24.016 ( -11.058 -0.485 -0.582) 11.084 ======================= Grid point 440 (216/432) ======================= q-point: (-0.36 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 8.929 6.991 6.955) 13.304 2.698 ( -3.660 8.190 6.212) 10.911 2.998 ( 1.507 -0.807 0.730) 1.859 3.248 ( 0.922 -6.891 0.492) 6.970 3.647 ( 7.995 -1.561 -4.215) 9.172 3.703 ( -7.410 -6.213 1.408) 9.772 4.519 ( 9.334 8.599 4.660) 13.520 5.022 ( 10.637 -3.106 1.656) 11.204 5.299 ( -4.373 -4.373 16.683) 17.793 5.599 ( -3.541 -11.599 13.787) 18.362 5.813 ( -9.156 1.461 24.301) 26.010 6.222 ( -1.166 -2.476 10.524) 10.874 6.311 ( 1.079 0.422 15.431) 15.474 6.555 ( 2.317 -3.078 1.601) 4.172 7.096 ( -12.157 1.003 -11.201) 16.561 7.832 ( 8.135 2.283 -4.842) 9.739 8.769 ( -19.863 -8.695 13.911) 25.761 9.096 ( -5.743 1.116 8.201) 10.074 9.434 ( 8.245 -5.391 11.062) 14.812 10.488 ( 4.860 6.367 10.680) 13.350 11.411 ( -3.102 20.017 -15.606) 25.570 11.849 ( -3.987 -0.426 -12.404) 13.036 12.030 ( -2.187 2.424 -3.801) 5.011 12.608 ( 2.907 8.134 -7.271) 11.291 12.926 ( -4.816 -6.127 6.673) 10.260 13.700 ( -11.692 3.105 0.414) 12.104 13.881 ( 10.934 -0.833 8.329) 13.770 14.112 ( 1.091 -8.766 -19.667) 21.559 18.091 ( 6.236 -4.713 12.834) 15.027 18.306 ( 0.628 -2.259 -11.009) 11.256 19.567 ( -3.748 -3.543 -12.874) 13.869 19.865 ( 4.659 -0.227 -4.785) 6.682 21.666 ( -9.717 7.322 -1.212) 12.227 22.302 ( 27.451 -0.767 4.300) 27.797 23.789 ( -10.326 1.801 -5.598) 11.883 23.902 ( -6.014 -0.108 -0.334) 6.024 ======================= Grid point 441 (217/432) ======================= q-point: (-0.27 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -5.985 7.583 4.900) 10.832 2.834 ( 11.303 0.800 9.458) 14.760 3.030 ( 2.266 0.719 0.326) 2.399 3.283 ( 2.056 -0.228 -2.662) 3.372 3.612 ( -12.577 -8.363 4.895) 15.877 3.760 ( 14.529 -2.422 -13.277) 19.830 4.626 ( 8.933 5.502 2.546) 10.796 5.132 ( 6.754 3.884 -1.610) 7.956 5.434 ( -5.675 -0.818 13.682) 14.835 5.691 ( -8.430 -5.889 4.981) 11.426 6.009 ( -10.568 -5.340 22.198) 25.158 6.328 ( -6.233 -2.652 10.231) 12.271 6.539 ( 4.419 -3.297 10.673) 12.013 6.680 ( 1.877 -4.867 7.278) 8.954 6.844 ( -7.477 -0.101 2.017) 7.745 7.852 ( 5.650 2.774 -3.148) 7.038 8.783 ( -16.404 -12.199 13.616) 24.562 9.126 ( -4.520 -3.174 7.624) 9.414 9.685 ( 5.009 -2.240 9.382) 10.869 10.559 ( 1.018 9.432 5.832) 11.136 11.044 ( -3.519 14.044 -14.352) 20.387 11.587 ( -11.377 7.549 -7.342) 15.503 12.008 ( 8.860 0.373 -6.802) 11.176 12.475 ( 5.315 13.738 -6.560) 16.125 12.984 ( -6.330 -11.154 2.148) 13.003 13.511 ( -12.800 1.176 1.915) 12.996 13.975 ( -1.872 -8.213 -15.392) 17.546 14.168 ( 15.290 1.926 8.876) 17.785 18.188 ( -4.305 -0.031 0.372) 4.321 18.360 ( 7.684 -4.769 1.999) 9.262 19.449 ( 0.270 -3.066 -8.935) 9.451 19.869 ( 2.466 0.182 -3.438) 4.235 21.432 ( -10.101 3.889 -6.830) 12.798 22.680 ( 25.286 4.497 4.085) 26.006 23.588 ( -7.792 2.844 -4.500) 9.437 23.851 ( -3.421 -2.642 0.149) 4.324 ======================= Grid point 442 (218/432) ======================= q-point: (-0.18 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -12.339 -0.588 6.920) 14.160 2.962 ( -4.434 -0.640 2.659) 5.210 3.144 ( 11.867 2.969 4.149) 12.917 3.265 ( 5.299 0.345 -4.879) 7.211 3.621 ( -5.913 -3.672 6.577) 9.576 3.778 ( 12.111 -2.775 -16.494) 20.650 4.694 ( 7.443 5.467 -1.975) 9.444 5.114 ( 2.196 7.104 -1.783) 7.647 5.467 ( -9.548 3.656 9.455) 13.926 5.653 ( -10.886 -4.563 4.879) 12.772 6.084 ( -12.068 -2.567 11.306) 16.735 6.246 ( -11.979 2.784 -4.194) 12.994 6.625 ( -7.237 -12.019 7.050) 15.701 6.763 ( 4.318 -2.491 3.028) 5.832 7.189 ( 5.210 -5.578 33.297) 34.161 7.871 ( 7.152 1.048 -4.826) 8.691 8.848 ( -15.816 -13.818 14.261) 25.387 9.216 ( -2.029 -8.132 7.014) 10.929 9.744 ( -5.670 8.777 3.839) 11.132 10.524 ( 0.993 7.453 0.598) 7.542 10.779 ( -3.466 -0.811 -13.525) 13.985 11.306 ( -7.615 15.107 -1.318) 16.969 12.075 ( 12.556 0.796 -5.960) 13.921 12.408 ( 8.881 10.818 -1.844) 14.117 13.000 ( -8.348 -13.171 0.509) 15.602 13.412 ( -5.730 2.297 3.801) 7.250 13.841 ( -4.305 -6.643 -11.757) 14.173 14.434 ( 15.063 4.625 7.285) 17.359 18.084 ( -6.959 1.866 -5.261) 8.921 18.511 ( 7.486 -3.933 1.283) 8.553 19.408 ( 4.769 2.880 -4.348) 7.067 19.810 ( -7.378 3.848 0.255) 8.326 21.234 ( -3.035 -4.688 -11.249) 12.559 22.972 ( 19.669 9.410 5.371) 22.456 23.446 ( -2.772 1.894 -4.527) 5.636 23.866 ( -1.368 -4.801 2.709) 5.679 ======================= Grid point 443 (219/432) ======================= q-point: (-0.09 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -15.873 -6.994 7.781) 19.011 2.911 ( -10.038 -6.261 1.163) 11.887 3.188 ( 2.341 2.905 -1.495) 4.019 3.371 ( 9.590 2.141 -0.939) 9.871 3.589 ( 0.565 5.975 -4.616) 7.571 3.804 ( 6.803 -4.681 -4.593) 9.449 4.686 ( 7.361 7.485 -5.721) 11.956 5.043 ( -3.757 3.507 -2.533) 5.730 5.352 ( -11.741 7.895 5.906) 15.332 5.600 ( -10.820 -1.246 4.137) 11.651 5.999 ( -12.492 1.767 -2.136) 12.796 6.030 ( -12.285 -0.128 4.207) 12.986 6.747 ( -4.761 -10.961 6.028) 13.385 6.853 ( 0.222 -2.754 5.419) 6.083 7.656 ( -0.410 -3.790 32.270) 32.495 7.908 ( 10.234 -0.970 -8.647) 13.433 8.902 ( -18.988 -10.652 14.128) 25.954 9.359 ( -0.139 -10.631 5.226) 11.847 9.534 ( -8.879 15.164 0.244) 17.574 10.392 ( -10.419 0.978 -10.538) 14.851 10.716 ( 3.644 -10.202 -4.236) 11.632 11.169 ( 4.232 14.281 4.581) 15.584 12.155 ( 11.640 0.188 -7.363) 13.775 12.500 ( 11.029 4.776 6.464) 13.647 13.025 ( -5.442 -11.866 1.687) 13.163 13.384 ( -1.546 4.542 3.402) 5.882 13.701 ( -6.223 -3.932 -8.111) 10.953 14.643 ( 14.918 7.927 3.907) 17.339 17.848 ( -9.027 1.600 -14.389) 17.061 18.667 ( 8.875 -0.104 4.858) 10.118 19.410 ( 5.863 8.142 -0.706) 10.058 19.633 ( -12.634 5.911 2.077) 14.102 21.176 ( 3.978 -12.299 -13.801) 18.909 23.125 ( 4.335 14.291 8.454) 17.161 23.402 ( 8.421 -1.985 -7.023) 11.144 23.961 ( 1.126 -4.646 6.932) 8.420 ======================= Grid point 450 (220/432) ======================= q-point: (-0.45 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 10.584 0.000 8.092) 13.323 2.788 ( -10.314 -0.000 -0.015) 10.314 2.998 ( 3.334 0.000 0.030) 3.334 3.170 ( 5.172 0.000 6.078) 7.980 3.637 ( 15.931 0.000 -8.621) 18.114 3.642 ( -16.078 -0.000 5.041) 16.849 4.608 ( 9.463 0.000 -1.124) 9.529 4.972 ( 9.365 0.000 8.819) 12.864 5.257 ( -4.306 -0.000 18.487) 18.981 5.499 ( -1.980 -0.000 14.354) 14.490 5.833 ( -9.522 -0.000 21.791) 23.780 6.197 ( 0.643 0.000 8.294) 8.319 6.319 ( 1.566 0.000 16.660) 16.733 6.527 ( 1.000 0.000 1.222) 1.578 7.105 ( -11.711 -0.000 -11.606) 16.488 7.858 ( 12.119 0.000 -7.648) 14.331 8.688 ( -24.198 -0.000 17.329) 29.763 9.112 ( -7.175 -0.000 6.977) 10.008 9.386 ( 9.392 0.000 12.437) 15.585 10.540 ( 4.874 0.000 11.345) 12.347 11.597 ( -7.521 -0.000 -23.353) 24.534 11.843 ( 4.305 0.000 -10.559) 11.403 12.067 ( -5.205 -0.000 -1.849) 5.523 12.621 ( 2.590 0.000 -3.312) 4.205 12.914 ( -6.928 -0.000 6.710) 9.644 13.732 ( -18.807 -0.000 -1.219) 18.846 13.838 ( 17.497 0.000 0.907) 17.520 14.055 ( 1.904 0.000 -11.184) 11.345 18.051 ( 7.005 0.000 13.643) 15.337 18.287 ( 1.377 0.000 -10.424) 10.514 19.536 ( -4.555 -0.000 -13.057) 13.829 19.863 ( 5.238 0.000 -5.225) 7.398 21.733 ( -11.313 -0.000 -3.426) 11.821 22.294 ( 30.484 0.000 5.870) 31.044 23.804 ( -9.271 -0.000 -5.926) 11.004 23.901 ( -8.026 -0.000 0.024) 8.026 ======================= Grid point 452 (221/432) ======================= q-point: (-0.36 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -13.421 4.549 1.783) 14.283 2.826 ( 13.725 -1.119 8.339) 16.099 3.043 ( 5.005 0.510 -1.551) 5.265 3.308 ( 5.805 2.291 4.150) 7.495 3.481 ( -15.586 -5.498 2.901) 16.780 3.734 ( 16.482 -0.895 -12.810) 20.894 4.687 ( 7.465 1.740 -1.573) 7.825 5.155 ( 7.243 -0.305 1.982) 7.515 5.419 ( -3.900 -0.626 16.408) 16.877 5.590 ( -5.043 -3.890 4.948) 8.065 5.971 ( -11.996 -0.351 24.953) 27.689 6.289 ( -3.902 -1.477 8.332) 9.319 6.535 ( 2.229 2.235 10.495) 10.959 6.600 ( 2.569 -4.465 6.374) 8.196 6.852 ( -7.132 0.501 -2.014) 7.428 7.910 ( 10.703 2.811 -7.335) 13.276 8.615 ( -23.559 -6.160 19.559) 31.234 9.096 ( -6.508 -0.732 6.177) 9.003 9.657 ( 8.183 -0.943 12.248) 14.760 10.668 ( 0.072 3.347 6.282) 7.118 11.180 ( -10.978 3.058 -23.216) 25.862 11.777 ( 3.413 11.292 -4.718) 12.705 11.993 ( 1.548 -2.467 -4.853) 5.660 12.605 ( 4.551 0.806 -7.421) 8.742 12.867 ( -9.798 -1.236 3.559) 10.498 13.517 ( -14.258 -0.001 2.857) 14.541 13.823 ( 1.711 -6.374 -17.815) 18.998 14.220 ( 13.207 2.122 11.983) 17.959 18.206 ( -1.226 1.639 4.269) 4.735 18.290 ( 5.525 -3.189 1.435) 6.539 19.406 ( 2.762 -1.513 -7.639) 8.263 19.867 ( 4.137 -0.179 -4.799) 6.338 21.492 ( -10.761 2.328 -10.608) 15.288 22.733 ( 27.527 1.628 5.423) 28.103 23.623 ( -7.974 1.194 -4.557) 9.262 23.813 ( -6.268 -1.422 0.364) 6.438 ======================= Grid point 453 (222/432) ======================= q-point: (-0.27 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -17.771 0.962 5.269) 18.560 2.939 ( -9.370 -2.021 0.230) 9.589 3.193 ( 18.745 1.767 3.329) 19.120 3.293 ( -1.349 3.124 -0.736) 3.482 3.536 ( 2.946 -4.459 7.938) 9.569 3.759 ( 12.803 -0.408 -17.465) 21.658 4.743 ( 5.783 0.903 -2.208) 6.256 5.197 ( 1.715 2.406 -3.040) 4.239 5.517 ( -6.299 1.779 9.582) 11.604 5.562 ( -9.224 -4.785 4.492) 11.321 6.061 ( -12.345 0.082 16.208) 20.374 6.285 ( -9.961 1.307 1.669) 10.184 6.472 ( -10.046 -5.894 -0.562) 11.661 6.715 ( 7.308 -2.785 2.339) 8.163 7.119 ( 8.229 -2.763 29.047) 30.317 7.923 ( 8.541 4.305 -6.336) 11.473 8.625 ( -21.711 -11.398 19.469) 31.310 9.114 ( -4.552 -4.119 6.165) 8.701 9.847 ( 1.437 3.696 8.968) 9.806 10.641 ( -2.099 5.888 -1.921) 6.540 10.759 ( -10.934 -1.346 -19.776) 22.638 11.615 ( -2.531 19.613 0.392) 19.779 12.061 ( 11.174 -3.256 -5.098) 12.706 12.566 ( 6.294 6.545 -4.819) 10.280 12.797 ( -10.367 -9.305 1.460) 14.007 13.432 ( -6.290 0.686 5.214) 8.199 13.701 ( -3.009 -8.614 -12.480) 15.459 14.508 ( 14.322 3.506 10.085) 17.863 18.124 ( -7.116 2.442 -5.518) 9.330 18.447 ( 7.554 -3.359 5.562) 9.964 19.441 ( 8.195 1.245 -0.873) 8.335 19.848 ( -1.743 0.868 -1.980) 2.777 21.204 ( -5.814 0.217 -16.489) 17.485 23.096 ( 24.230 5.124 3.281) 24.983 23.482 ( -5.892 2.479 -1.273) 6.518 23.782 ( -4.502 -4.754 2.759) 7.105 ======================= Grid point 454 (223/432) ======================= q-point: (-0.18 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -20.100 -3.007 8.989) 22.223 2.782 ( -17.684 -8.610 -0.820) 19.686 3.269 ( 3.386 5.485 -0.502) 6.465 3.419 ( 12.731 4.152 1.883) 13.523 3.652 ( 2.471 1.516 -11.860) 12.209 3.734 ( 8.899 -3.268 1.467) 9.593 4.759 ( 4.690 1.807 -4.775) 6.933 5.093 ( -6.722 2.150 -6.245) 9.423 5.450 ( -7.715 2.683 5.669) 9.942 5.576 ( -7.284 -1.012 6.297) 9.681 6.017 ( -13.125 0.748 3.164) 13.522 6.067 ( -11.716 4.728 0.445) 12.642 6.534 ( -5.069 -12.317 8.745) 15.934 6.835 ( 4.598 -1.042 1.111) 4.843 7.593 ( 5.581 -3.622 29.403) 30.146 7.926 ( 9.970 2.917 -8.282) 13.285 8.674 ( -21.846 -14.038 18.840) 32.082 9.194 ( -1.701 -8.405 5.556) 10.218 9.798 ( -7.662 14.000 3.648) 16.371 10.333 ( -13.509 -5.084 -19.653) 24.384 10.683 ( 6.108 2.791 0.626) 6.745 11.438 ( -1.881 16.841 2.153) 17.082 12.152 ( 10.508 -0.931 -7.719) 13.072 12.576 ( 1.512 4.144 5.936) 7.396 12.829 ( 0.726 -10.704 0.829) 10.761 13.436 ( -1.185 1.863 4.699) 5.192 13.597 ( -5.723 -7.802 -7.609) 12.309 14.759 ( 14.867 5.586 6.863) 17.301 17.874 ( -9.439 1.450 -15.016) 17.796 18.661 ( 9.868 -0.477 8.739) 13.190 19.535 ( 9.556 6.424 1.382) 11.598 19.729 ( -11.885 4.893 0.756) 12.875 21.009 ( 3.330 -7.330 -18.479) 20.157 23.333 ( 18.135 4.852 -2.588) 18.950 23.388 ( -5.067 6.000 2.162) 8.145 23.868 ( 0.079 -6.463 9.633) 11.600 ======================= Grid point 455 (224/432) ======================= q-point: (-0.09 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -21.781 -6.412 10.863) 25.171 2.637 ( -18.013 -13.048 -0.548) 22.248 3.259 ( 2.189 5.315 -0.686) 5.789 3.426 ( -2.003 3.715 -5.348) 6.813 3.563 ( 4.551 2.230 -5.020) 7.133 3.881 ( 3.579 0.329 4.488) 5.750 4.732 ( 2.917 1.942 -5.929) 6.888 4.865 ( -12.198 1.347 -6.813) 14.036 5.411 ( -3.427 8.970 4.853) 10.759 5.531 ( -4.819 2.039 3.322) 6.198 5.830 ( -12.498 -0.247 -0.178) 12.502 5.950 ( -9.558 3.776 4.057) 11.048 6.663 ( -4.051 -9.805 4.494) 11.521 6.889 ( -0.233 -1.441 3.809) 4.079 7.918 ( 8.162 1.213 -0.532) 8.268 7.962 ( -0.223 -0.755 12.624) 12.649 8.709 ( -20.847 -12.478 14.912) 28.507 9.333 ( 1.638 -10.534 4.116) 11.427 9.577 ( -8.063 17.038 2.157) 18.973 10.031 ( -10.982 -8.367 -12.955) 18.933 10.753 ( 5.047 2.995 0.559) 5.896 11.370 ( 3.317 7.621 3.323) 8.951 12.180 ( 8.529 -1.499 -9.665) 12.977 12.670 ( -5.275 -4.339 13.703) 15.311 12.973 ( 9.263 -4.937 -1.934) 10.673 13.463 ( 1.505 4.098 3.449) 5.564 13.522 ( -5.232 -5.540 -0.867) 7.669 14.950 ( 15.545 9.039 1.976) 18.090 17.539 ( -9.617 0.650 -18.173) 20.571 18.904 ( 11.712 2.190 9.725) 15.380 19.464 ( -14.070 8.092 1.650) 16.314 19.652 ( 9.384 6.263 0.387) 11.289 20.966 ( 7.099 -11.968 -16.835) 21.841 23.267 ( -7.251 11.279 2.336) 13.611 23.465 ( 12.446 -1.943 -4.836) 13.493 24.090 ( 4.335 -2.287 15.301) 16.067 ======================= Grid point 463 (225/432) ======================= q-point: (-0.36 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -20.019 -0.000 5.049) 20.646 2.915 ( -12.306 -0.000 -0.856) 12.336 3.204 ( 19.542 0.000 0.545) 19.550 3.333 ( -2.873 -0.000 4.742) 5.545 3.496 ( 8.799 0.000 5.760) 10.516 3.755 ( 12.727 0.000 -16.882) 21.142 4.746 ( 4.973 0.000 -2.046) 5.377 5.209 ( 1.007 0.000 -2.861) 3.033 5.520 ( -8.346 -0.000 1.945) 8.570 5.532 ( -4.370 -0.000 11.434) 12.240 6.068 ( -11.974 -0.000 18.447) 21.992 6.290 ( -7.291 -0.000 7.290) 10.310 6.426 ( -13.657 -0.000 -7.417) 15.541 6.688 ( 8.574 0.000 2.067) 8.819 7.096 ( 9.027 0.000 27.048) 28.515 7.971 ( 10.690 0.000 -8.790) 13.840 8.517 ( -25.868 -0.000 23.775) 35.135 9.079 ( -5.663 -0.000 5.719) 8.049 9.877 ( 4.017 0.000 10.786) 11.510 10.704 ( -0.934 -0.000 0.863) 1.272 10.737 ( -14.399 -0.000 -24.429) 28.357 11.867 ( -6.636 -0.000 -3.344) 7.431 11.964 ( 14.870 0.000 -1.841) 14.983 12.597 ( 7.260 0.000 -6.300) 9.612 12.738 ( -12.948 -0.000 2.666) 13.219 13.442 ( -6.109 -0.000 6.098) 8.632 13.612 ( -2.144 -0.000 -13.032) 13.207 14.538 ( 13.721 0.000 10.764) 17.439 18.149 ( -7.791 -0.000 -6.689) 10.268 18.415 ( 8.148 0.000 8.087) 11.480 19.451 ( 9.597 0.000 0.889) 9.638 19.853 ( 0.252 0.000 -2.998) 3.008 21.211 ( -6.638 -0.000 -18.784) 19.923 23.139 ( 26.129 0.000 1.135) 26.153 23.511 ( -6.645 -0.000 2.729) 7.184 23.733 ( -6.384 -0.000 1.524) 6.563 ======================= Grid point 464 (226/432) ======================= q-point: (-0.27 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -22.039 0.009 10.404) 24.371 2.655 ( -23.280 -5.069 -2.563) 23.963 3.333 ( 6.305 1.784 -0.129) 6.553 3.516 ( 14.971 5.867 4.728) 16.760 3.653 ( 4.943 -0.633 -20.575) 21.170 3.686 ( 6.570 -2.767 7.560) 10.391 4.774 ( 3.588 0.370 -3.086) 4.746 5.098 ( -8.827 -0.918 -7.616) 11.694 5.465 ( -4.814 0.299 5.331) 7.189 5.567 ( -5.629 -0.341 6.213) 8.391 6.034 ( -13.392 0.766 1.813) 13.536 6.173 ( -10.379 7.237 3.183) 13.047 6.351 ( -5.849 -9.185 8.519) 13.826 6.815 ( 8.088 -0.945 -0.708) 8.174 7.545 ( 9.086 -1.686 26.352) 27.926 7.984 ( 9.038 2.785 -8.510) 12.722 8.489 ( -26.182 -6.591 24.509) 36.464 9.093 ( -3.993 -3.225 5.528) 7.543 9.965 ( -3.717 5.307 6.854) 9.432 10.274 ( -14.148 -1.730 -23.170) 27.203 10.730 ( 6.063 1.787 0.545) 6.344 11.682 ( -8.104 9.825 -1.314) 12.804 12.118 ( 11.096 -2.556 -6.699) 13.211 12.631 ( -9.212 1.999 7.969) 12.344 12.696 ( 10.074 -4.297 -0.228) 10.954 13.449 ( -2.813 -0.581 -1.178) 3.104 13.484 ( -2.757 -3.618 -1.403) 4.760 14.823 ( 14.312 1.954 8.300) 16.660 17.892 ( -9.788 0.581 -15.794) 18.590 18.655 ( 10.259 -0.225 11.412) 15.347 19.615 ( 10.375 2.755 4.853) 11.781 19.782 ( -8.336 1.381 -0.604) 8.472 20.931 ( 1.963 -2.142 -23.487) 23.666 23.323 ( 13.406 -0.981 -13.505) 19.055 23.572 ( 0.263 11.013 13.286) 17.259 23.741 ( -1.029 -8.668 10.525) 13.673 ======================= Grid point 465 (227/432) ======================= q-point: (-0.18 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -23.852 -0.338 13.173) 27.250 2.407 ( -23.173 -13.169 0.520) 26.658 3.344 ( -1.740 4.427 -7.378) 8.778 3.460 ( -1.338 -0.568 -6.343) 6.507 3.637 ( 7.388 7.661 1.581) 10.760 3.871 ( 4.306 -2.307 5.347) 7.243 4.748 ( 0.002 1.269 -5.025) 5.183 4.873 ( -10.401 -1.305 -7.589) 12.941 5.508 ( -0.035 3.121 6.568) 7.271 5.551 ( -3.430 0.637 3.846) 5.192 5.828 ( -13.566 -0.095 -1.713) 13.674 6.052 ( -8.051 7.612 3.779) 11.706 6.481 ( -2.963 -10.514 7.838) 13.445 6.885 ( 4.558 -0.025 -1.897) 4.937 7.911 ( 2.464 -2.173 18.294) 18.587 7.978 ( 9.336 2.626 -8.459) 12.869 8.501 ( -24.834 -10.108 22.368) 34.917 9.165 ( -0.741 -8.178 4.494) 9.361 9.837 ( -9.133 8.871 -4.899) 13.642 9.926 ( -8.174 -0.196 -9.040) 12.189 10.826 ( 8.845 3.667 1.081) 9.636 11.506 ( -6.193 7.112 0.658) 9.454 12.154 ( 8.229 -1.686 -10.111) 13.145 12.627 ( -10.259 0.565 15.112) 18.274 12.906 ( 13.742 -3.688 0.009) 14.228 13.387 ( -6.018 -8.113 -1.263) 10.180 13.524 ( 2.269 2.142 3.721) 4.857 15.065 ( 15.474 4.616 4.394) 16.735 17.549 ( -9.843 0.435 -19.355) 21.718 18.930 ( 12.075 0.974 11.035) 16.387 19.579 ( -16.530 4.836 -0.744) 17.239 19.762 ( 9.729 6.254 3.978) 12.230 20.792 ( 9.382 -8.139 -21.029) 24.423 23.330 ( 7.312 -1.491 -9.284) 11.911 23.541 ( -3.527 8.261 4.477) 10.036 24.045 ( 7.224 -2.824 19.196) 20.704 ======================= Grid point 466 (228/432) ======================= q-point: (-0.09 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -25.248 -5.104 13.015) 28.860 2.258 ( -21.912 -13.516 0.335) 25.748 3.098 ( -16.255 -5.779 -5.117) 17.994 3.489 ( 4.168 4.967 4.689) 8.002 3.634 ( 1.269 8.530 0.421) 8.634 3.919 ( -5.504 0.751 2.917) 6.275 4.635 ( -5.751 0.641 -3.180) 6.603 4.731 ( -2.012 1.585 -5.064) 5.675 5.489 ( 1.111 7.545 1.853) 7.849 5.603 ( 1.936 4.338 2.846) 5.537 5.682 ( -9.933 -0.462 2.233) 10.191 5.905 ( -8.853 4.722 1.021) 10.085 6.584 ( -2.618 -6.642 1.423) 7.280 6.915 ( -0.649 -0.607 3.604) 3.712 7.975 ( 9.799 3.027 -8.879) 13.566 8.049 ( -9.821 -1.380 10.920) 14.751 8.519 ( -17.769 -10.571 13.116) 24.485 9.322 ( 4.714 -11.345 2.960) 12.636 9.617 ( -6.584 7.218 -0.981) 9.819 9.784 ( -3.792 -0.149 -2.270) 4.422 10.867 ( 3.225 9.791 -0.022) 10.309 11.442 ( -0.856 -0.821 1.677) 2.054 12.147 ( 6.717 -1.433 -9.906) 12.054 12.681 ( -11.317 -2.945 15.268) 19.232 13.026 ( 5.827 -0.046 -5.762) 8.195 13.457 ( 1.300 -9.102 5.691) 10.813 13.583 ( 4.348 2.201 3.316) 5.895 15.235 ( 16.104 8.798 -1.436) 18.407 17.230 ( -8.198 -0.626 -12.595) 15.041 19.163 ( 6.431 3.138 1.567) 7.325 19.349 ( -7.877 1.414 5.501) 9.711 19.860 ( 10.013 7.615 1.235) 12.641 20.781 ( 8.304 -9.974 -16.154) 20.722 23.273 ( -3.761 9.330 -1.773) 10.215 23.519 ( 4.033 -1.373 -1.521) 4.524 24.364 ( 6.115 1.325 18.650) 19.671 ======================= Grid point 475 (229/432) ======================= q-point: (-0.27 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -22.559 -0.000 16.321) 27.844 2.265 ( -27.396 -0.000 -1.560) 27.440 3.394 ( -9.381 -0.000 -17.664) 20.000 3.438 ( 6.408 0.000 1.787) 6.652 3.762 ( 9.872 0.000 2.018) 10.076 3.803 ( 2.028 0.000 6.691) 6.992 4.773 ( 1.831 0.000 -4.067) 4.460 4.844 ( -12.649 -0.000 -7.686) 14.801 5.528 ( 1.301 0.000 7.762) 7.870 5.560 ( -2.448 -0.000 3.396) 4.186 5.827 ( -14.160 -0.000 -2.424) 14.366 6.144 ( -8.143 -0.000 1.795) 8.338 6.366 ( -2.385 -0.000 10.171) 10.447 6.884 ( 7.444 0.000 -4.152) 8.523 7.886 ( 3.675 0.000 16.795) 17.193 8.007 ( 8.263 0.000 -8.330) 11.733 8.412 ( -26.526 -0.000 26.431) 37.447 9.092 ( -2.505 -0.000 4.495) 5.146 9.851 ( -9.677 -0.000 -19.749) 21.992 9.995 ( -5.889 -0.000 5.137) 7.814 10.857 ( 10.242 0.000 0.632) 10.261 11.569 ( -11.140 -0.000 -0.545) 11.153 12.135 ( 8.654 0.000 -10.076) 13.283 12.660 ( -8.282 -0.000 16.261) 18.249 12.858 ( 11.968 0.000 2.120) 12.154 13.306 ( -5.868 -0.000 -3.227) 6.697 13.542 ( 2.587 0.000 3.952) 4.723 15.104 ( 15.369 0.000 5.251) 16.241 17.553 ( -9.912 -0.000 -19.778) 22.123 18.938 ( 11.996 0.000 11.601) 16.689 19.619 ( -15.788 -0.000 -1.815) 15.892 19.823 ( 8.277 0.000 6.704) 10.652 20.718 ( 10.485 0.000 -24.149) 26.327 23.311 ( 9.946 0.000 -11.191) 14.972 23.624 ( -8.049 -0.000 4.868) 9.406 24.015 ( 9.784 0.000 21.552) 23.669 ======================= Grid point 476 (230/432) ======================= q-point: (-0.18 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -27.338 0.855 6.750) 28.172 2.051 ( -23.237 -9.120 10.816) 27.205 3.034 ( -22.063 -1.852 -6.989) 23.217 3.537 ( 5.236 1.222 2.740) 6.035 3.787 ( 0.204 8.588 2.541) 8.958 3.899 ( -3.797 -3.679 3.769) 6.493 4.654 ( -4.427 1.402 -2.116) 5.103 4.728 ( -2.000 -1.203 -4.918) 5.444 5.585 ( 2.712 3.750 1.967) 5.029 5.641 ( 0.081 0.711 2.799) 2.889 5.667 ( -6.932 -1.138 5.507) 8.926 5.994 ( -9.304 4.052 -4.411) 11.065 6.473 ( -0.768 -4.784 5.841) 7.589 6.923 ( 5.760 0.674 -2.730) 6.409 7.995 ( -9.837 -2.278 8.676) 13.313 8.025 ( 8.112 1.042 -5.519) 9.867 8.395 ( -19.770 -3.531 17.961) 26.943 9.158 ( 3.363 -5.974 3.017) 7.490 9.596 ( -3.217 -2.107 -11.088) 11.736 9.934 ( -6.189 7.743 3.811) 10.620 10.980 ( 9.396 3.136 -0.620) 9.925 11.434 ( -9.487 -0.459 1.385) 9.599 12.133 ( 8.293 -0.493 -9.291) 12.463 12.732 ( -8.301 7.346 16.885) 20.198 13.003 ( 6.573 -3.257 -3.113) 7.969 13.272 ( -3.858 -8.868 4.910) 10.847 13.618 ( 4.292 1.220 2.110) 4.936 15.335 ( 16.280 2.970 0.567) 16.558 17.223 ( -8.494 -0.220 -13.466) 15.923 19.196 ( 9.450 0.922 1.684) 9.643 19.372 ( -13.499 0.924 2.288) 13.723 19.969 ( 6.139 4.194 5.192) 9.068 20.647 ( 12.453 -4.917 -18.913) 23.173 23.333 ( 10.378 0.028 -8.743) 13.570 23.561 ( -8.479 3.390 5.892) 10.868 24.378 ( 8.312 0.392 19.807) 21.484 ======================= Grid point 477 (231/432) ======================= q-point: (-0.09 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -25.252 -8.416 10.925) 28.772 1.843 ( -28.909 -6.463 -2.522) 29.730 2.808 ( -24.453 -8.429 16.666) 30.769 3.593 ( 0.324 2.713 0.860) 2.864 3.741 ( -0.348 7.748 4.562) 8.998 3.847 ( -8.813 1.089 1.161) 8.955 4.569 ( -5.203 4.068 -3.901) 7.671 4.720 ( 4.057 -0.313 4.907) 6.375 5.555 ( -4.585 2.344 -1.736) 5.434 5.640 ( -2.591 5.331 -2.748) 6.533 5.652 ( 2.973 4.877 -2.173) 6.111 5.854 ( -4.731 -0.898 7.439) 8.861 6.525 ( 0.460 -2.511 -1.813) 3.132 6.958 ( -0.659 2.716 3.952) 4.840 7.937 ( -15.196 -2.407 7.929) 17.308 8.070 ( 7.105 3.077 -1.763) 7.941 8.359 ( -9.977 -8.400 2.615) 13.302 9.344 ( 8.315 -9.999 2.202) 13.189 9.526 ( -0.659 -5.818 -3.398) 6.769 9.820 ( -4.836 10.353 4.178) 12.167 10.979 ( -0.092 13.004 -2.093) 13.172 11.386 ( -3.698 -7.716 0.481) 8.570 12.133 ( 6.858 2.433 -7.249) 10.271 12.679 ( -12.218 5.343 7.565) 15.332 13.010 ( -0.001 -0.228 -2.288) 2.299 13.439 ( 2.637 -15.728 0.655) 15.961 13.678 ( 4.386 1.039 0.689) 4.559 15.471 ( 15.324 7.471 -5.692) 17.973 17.119 ( -0.191 0.059 8.598) 8.600 19.028 ( -8.636 -1.344 -10.402) 13.586 19.537 ( 10.278 -0.310 10.722) 14.856 20.041 ( 6.258 5.577 1.215) 8.470 20.643 ( 8.102 -6.186 -14.522) 17.742 23.307 ( -1.878 11.841 -0.992) 12.030 23.532 ( 1.933 -2.382 0.316) 3.083 24.645 ( 4.212 2.838 12.665) 13.646 ======================= Grid point 487 (232/432) ======================= q-point: (-0.18 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -26.277 -0.000 7.164) 27.236 1.787 ( -29.483 -0.000 1.293) 29.512 2.738 ( -27.954 -0.000 19.056) 33.831 3.616 ( 1.700 0.000 0.504) 1.773 3.830 ( -9.918 -0.000 4.785) 11.012 3.835 ( -0.944 -0.000 0.943) 1.334 4.613 ( -5.205 -0.000 -5.380) 7.486 4.708 ( 5.462 0.000 7.555) 9.323 5.568 ( -5.570 -0.000 1.054) 5.669 5.693 ( -4.050 -0.000 -8.652) 9.553 5.696 ( 7.237 0.000 -0.444) 7.251 5.847 ( -6.413 -0.000 6.456) 9.100 6.496 ( 1.719 0.000 0.210) 1.732 6.993 ( 6.350 0.000 -0.104) 6.351 7.897 ( -19.661 -0.000 13.113) 23.633 8.101 ( 10.607 0.000 -2.922) 11.002 8.287 ( -13.753 -0.000 2.665) 14.008 9.242 ( 8.847 0.000 2.026) 9.076 9.480 ( -0.512 -0.000 -4.868) 4.895 9.927 ( -5.922 -0.000 3.099) 6.684 11.094 ( 8.658 0.000 -3.052) 9.180 11.306 ( -12.562 -0.000 1.742) 12.682 12.160 ( 9.703 0.000 -6.294) 11.565 12.832 ( -8.687 -0.000 6.147) 10.642 12.957 ( -1.079 -0.000 -5.379) 5.486 13.242 ( -3.070 -0.000 5.100) 5.953 13.694 ( 4.504 0.000 -0.236) 4.510 15.534 ( 15.521 0.000 -4.861) 16.264 17.119 ( 0.530 0.000 10.082) 10.096 19.017 ( -10.693 -0.000 -12.408) 16.380 19.534 ( 10.173 0.000 10.999) 14.982 20.095 ( 2.161 0.000 3.917) 4.474 20.584 ( 11.674 0.000 -16.454) 20.175 23.395 ( 13.327 0.000 -7.947) 15.516 23.531 ( -10.733 -0.000 8.301) 13.568 24.671 ( 6.056 0.000 11.646) 13.126 ======================= Grid point 488 (233/432) ======================= q-point: (-0.09 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -32.856 -3.548 -1.194) 33.069 1.434 ( -22.327 -7.910 13.621) 27.324 2.754 ( -26.185 -3.667 37.378) 45.785 3.573 ( -4.571 2.042 -1.805) 5.322 3.736 ( -8.875 0.350 1.212) 8.964 3.859 ( 3.039 2.901 2.290) 4.785 4.468 ( -5.847 2.918 -4.414) 7.886 4.928 ( 7.092 0.959 14.252) 15.948 5.304 ( -9.619 0.720 -20.326) 22.498 5.675 ( 2.062 2.286 7.541) 8.145 5.738 ( 3.648 0.772 -2.799) 4.663 5.920 ( -2.565 0.036 11.363) 11.649 6.532 ( 5.927 0.070 -2.127) 6.297 7.028 ( 0.041 6.955 1.024) 7.030 7.830 ( -18.201 -2.133 15.637) 24.090 8.089 ( -10.683 -1.915 -6.637) 12.722 8.256 ( 11.366 -3.165 0.234) 11.801 9.409 ( 5.918 -7.391 -2.448) 9.780 9.461 ( 3.997 -1.704 2.092) 4.823 9.877 ( -3.443 4.343 4.053) 6.866 10.990 ( -14.090 16.090 -5.057) 21.977 11.240 ( -0.509 -13.560 -3.284) 13.961 12.202 ( 8.064 5.243 -4.700) 10.706 12.610 ( -13.296 9.399 -1.152) 16.323 12.922 ( -3.221 -9.658 -5.331) 11.492 13.296 ( -2.104 -10.392 -0.363) 10.609 13.729 ( 3.596 0.464 -1.856) 4.073 15.607 ( 12.368 4.250 -11.343) 17.311 17.519 ( 21.422 4.442 33.090) 39.669 18.777 ( -5.011 -4.677 -11.852) 13.691 19.779 ( 8.214 1.484 9.075) 12.330 20.125 ( 1.181 0.160 -0.166) 1.204 20.547 ( 9.160 -1.910 -15.414) 18.032 23.396 ( -3.898 14.344 2.955) 15.155 23.543 ( 5.158 -5.235 -0.715) 7.383 24.728 ( -5.143 1.047 -4.815) 7.122 ======================= Grid point 499 (234/432) ======================= q-point: (-0.09 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -10.057 -0.000 22.189) 24.362 1.333 ( -17.105 -0.000 19.912) 26.250 2.839 ( -30.432 -0.000 40.247) 50.457 3.488 ( -5.359 -0.000 -2.464) 5.899 3.670 ( -1.158 -0.000 0.581) 1.296 3.925 ( 3.929 0.000 -1.123) 4.086 4.386 ( -3.775 -0.000 -0.813) 3.862 4.952 ( -3.807 -0.000 -16.849) 17.274 5.223 ( 0.906 0.000 19.487) 19.508 5.671 ( -1.543 -0.000 -8.212) 8.356 5.857 ( 6.572 0.000 8.409) 10.672 6.062 ( 1.440 0.000 14.908) 14.977 6.617 ( 8.560 0.000 -0.691) 8.587 7.054 ( -0.429 -0.000 -4.165) 4.187 7.743 ( -11.788 -0.000 -15.362) 19.364 7.813 ( -22.718 -0.000 23.648) 32.792 8.459 ( 10.927 0.000 8.496) 13.842 9.327 ( -1.505 -0.000 -6.358) 6.533 9.638 ( 11.319 0.000 6.243) 12.927 9.905 ( -0.746 -0.000 3.487) 3.566 10.673 ( -30.662 -0.000 -6.104) 31.264 11.165 ( 5.233 0.000 -5.910) 7.894 12.249 ( 3.695 0.000 -7.214) 8.105 12.506 ( -9.186 -0.000 4.164) 10.086 12.738 ( -3.721 -0.000 -4.631) 5.940 13.259 ( -0.416 -0.000 2.039) 2.081 13.739 ( 2.346 0.000 -3.351) 4.090 15.589 ( 7.680 0.000 -17.329) 18.954 18.374 ( 41.246 0.000 30.077) 51.047 18.571 ( -1.005 -0.000 -11.236) 11.281 19.954 ( -1.157 -0.000 6.987) 7.082 20.049 ( -5.090 -0.000 -6.645) 8.370 20.529 ( 16.920 0.000 -12.869) 21.258 23.458 ( -10.734 -0.000 9.429) 14.287 23.581 ( 11.560 0.000 -6.365) 13.197 24.356 ( -28.585 -0.000 -19.461) 34.581 ======================= Grid point 500 (235/432) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -1.277 -0.000 27.811) 27.840 2.270 ( 4.373 0.000 15.987) 16.574 3.202 ( -1.562 -0.000 -5.812) 6.018 3.565 ( -7.592 -0.000 11.004) 13.368 3.671 ( 3.448 0.000 -12.268) 12.744 3.826 ( 6.784 0.000 -3.157) 7.483 4.376 ( 5.312 0.000 -9.697) 11.056 4.422 ( -3.867 -0.000 -1.502) 4.149 5.516 ( 0.706 0.000 8.839) 8.868 5.903 ( -11.384 -0.000 16.666) 20.182 6.334 ( 3.197 0.000 0.958) 3.337 6.620 ( -5.903 -0.000 -4.674) 7.530 6.867 ( 4.310 0.000 0.208) 4.315 6.934 ( -5.917 -0.000 25.394) 26.074 7.244 ( -1.745 -0.000 6.831) 7.051 8.662 ( -17.255 -0.000 31.433) 35.858 9.154 ( 0.130 0.000 6.918) 6.919 9.243 ( 8.329 0.000 5.414) 9.934 9.672 ( -16.069 -0.000 8.040) 17.968 9.878 ( 0.680 0.000 -6.108) 6.146 10.789 ( 16.308 0.000 14.094) 21.554 10.851 ( 2.140 0.000 -13.775) 13.940 11.675 ( 1.998 0.000 -15.204) 15.335 12.395 ( -9.469 -0.000 -9.217) 13.214 12.916 ( -1.591 -0.000 11.073) 11.187 13.385 ( 11.537 0.000 -3.191) 11.970 13.602 ( -1.397 -0.000 -1.046) 1.746 14.751 ( -0.567 -0.000 -19.053) 19.061 18.264 ( 10.899 0.000 -9.471) 14.439 19.023 ( -16.540 -0.000 -21.208) 26.895 19.615 ( -17.668 -0.000 0.944) 17.693 19.715 ( 16.430 0.000 1.578) 16.506 21.225 ( 29.347 0.000 9.241) 30.767 22.712 ( -31.889 -0.000 -9.821) 33.367 23.486 ( -9.865 -0.000 3.550) 10.484 23.725 ( 10.541 0.000 -4.548) 11.480 ======================= Grid point 501 (236/432) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.456 2.025 16.088) 16.579 2.557 ( 3.850 -3.853 23.264) 23.893 3.126 ( 1.256 1.423 -6.296) 6.576 3.525 ( -5.157 -1.082 -3.807) 6.501 3.546 ( 1.181 4.054 -10.665) 11.470 3.853 ( 4.695 -3.143 -7.830) 9.655 4.295 ( -1.172 4.372 -2.089) 4.985 4.460 ( 3.885 -10.202 -2.071) 11.112 5.649 ( -0.093 1.233 11.901) 11.965 5.928 ( -12.594 -0.515 13.732) 18.640 6.327 ( -3.762 0.324 -0.095) 3.777 6.478 ( -9.626 -0.933 -2.258) 9.931 6.912 ( 2.534 3.560 0.805) 4.444 7.001 ( -6.565 -1.183 5.229) 8.476 7.469 ( 0.504 3.525 31.577) 31.777 8.687 ( -16.912 18.516 18.885) 31.393 9.115 ( -7.983 -5.546 3.379) 10.292 9.439 ( -2.018 -12.216 -1.319) 12.452 9.728 ( 1.454 3.308 18.617) 18.964 9.863 ( 4.569 -3.857 1.169) 6.093 10.656 ( 2.655 9.170 -10.560) 14.236 11.254 ( 17.442 -12.088 11.125) 23.960 11.556 ( 5.481 -0.074 -15.432) 16.376 12.133 ( -5.469 5.878 -11.938) 14.386 13.025 ( -2.533 -7.842 6.214) 10.322 13.505 ( 11.243 -1.441 -3.902) 11.988 13.582 ( -2.212 0.205 1.980) 2.976 14.523 ( -2.079 2.998 -14.561) 15.011 18.315 ( 12.183 0.952 -7.489) 14.332 18.554 ( -15.196 2.458 -19.426) 24.786 19.426 ( -16.327 -2.061 2.925) 16.715 19.850 ( 3.090 0.327 0.222) 3.115 21.710 ( 24.270 3.308 12.577) 27.534 22.234 ( -18.619 -0.360 -11.740) 22.014 23.414 ( -7.733 -2.784 1.101) 8.292 23.817 ( 9.617 -0.462 -2.869) 10.046 ======================= Grid point 502 (237/432) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 2.567 4.092 13.270) 14.122 2.901 ( 6.573 -3.002 17.903) 19.306 3.058 ( 1.728 1.940 -5.919) 6.464 3.381 ( -1.823 4.872 -7.927) 9.482 3.432 ( -0.754 -2.386 -8.329) 8.697 3.819 ( 2.280 -3.535 -10.279) 11.107 4.251 ( -0.277 -4.300 -3.099) 5.307 4.614 ( 5.678 -10.793 1.404) 12.275 5.710 ( -8.424 3.687 9.715) 13.377 5.892 ( -12.901 -1.197 7.502) 14.972 6.247 ( -7.507 0.560 -0.142) 7.529 6.340 ( -12.608 -1.676 1.871) 12.856 6.877 ( -1.299 3.863 0.121) 4.077 7.031 ( 1.406 -1.838 2.490) 3.399 7.824 ( -0.703 6.610 35.331) 35.951 8.377 ( -14.216 23.784 -0.631) 27.716 9.148 ( -17.741 -18.305 9.236) 27.113 9.450 ( -2.538 -2.197 2.438) 4.149 9.761 ( -1.022 7.840 1.728) 8.093 10.209 ( 13.124 -4.596 15.837) 21.075 10.541 ( 1.893 -2.686 -6.952) 7.689 11.378 ( -0.941 6.060 -14.836) 16.054 11.703 ( 18.741 -5.295 8.284) 21.163 11.972 ( 9.563 4.070 -8.977) 13.733 13.119 ( -2.784 -12.226 1.095) 12.586 13.536 ( -4.186 4.791 4.984) 8.082 13.637 ( 6.808 -6.426 -4.843) 10.541 14.332 ( 0.477 3.779 -10.183) 10.872 18.135 ( -12.198 1.320 -15.441) 19.722 18.426 ( 11.507 -0.834 -3.320) 12.005 19.290 ( -11.559 -1.450 2.669) 11.951 19.819 ( -8.341 -0.922 1.318) 8.495 21.714 ( -7.918 13.176 -9.604) 18.126 22.327 ( 19.933 -9.809 9.016) 23.975 23.358 ( -4.110 -2.330 -1.030) 4.835 23.913 ( 8.060 0.008 -0.781) 8.098 ======================= Grid point 503 (238/432) ======================= q-point: (-0.73 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.455 6.695 7.662) 12.050 3.019 ( 1.207 0.053 -2.486) 2.764 3.166 ( 7.473 -0.113 5.633) 9.359 3.252 ( -0.089 3.497 -3.601) 5.020 3.387 ( 0.695 -4.089 -2.926) 5.076 3.756 ( 2.106 -3.085 -8.913) 9.664 4.294 ( 4.439 -8.919 -4.113) 10.778 4.799 ( 4.574 -12.492 1.405) 13.377 5.579 ( -18.530 4.133 4.671) 19.551 5.788 ( -13.043 -1.164 1.891) 13.231 6.129 ( -9.836 1.027 1.237) 9.967 6.221 ( -13.650 -1.293 4.386) 14.395 6.845 ( 0.124 2.117 -0.488) 2.176 7.092 ( 1.862 0.797 2.652) 3.337 7.999 ( -7.126 17.137 -8.283) 20.324 8.130 ( -2.591 7.794 30.671) 31.752 9.138 ( -21.121 -17.821 7.231) 28.565 9.481 ( -1.464 3.425 7.213) 8.118 9.673 ( -4.384 5.844 0.479) 7.321 10.318 ( -6.384 -3.945 -6.884) 10.184 10.762 ( 14.150 -7.304 11.562) 19.678 11.129 ( 2.633 16.416 -9.461) 19.129 11.899 ( 15.827 2.825 -9.742) 18.799 12.214 ( 20.346 -3.691 9.072) 22.581 13.180 ( -2.150 -11.016 -1.604) 11.338 13.477 ( -8.111 7.193 7.602) 13.241 13.667 ( -1.398 -5.952 -6.292) 8.773 14.288 ( 9.353 -3.233 -6.686) 11.943 17.819 ( -11.096 -1.230 -13.675) 17.653 18.582 ( 10.081 -0.716 4.711) 11.150 19.225 ( -2.949 -2.186 0.500) 3.704 19.710 ( -14.386 -3.858 2.882) 15.171 21.386 ( -2.130 12.426 -15.511) 19.989 22.769 ( 13.202 -9.704 12.562) 20.646 23.327 ( 2.463 0.617 -3.170) 4.062 24.012 ( 6.374 0.332 2.528) 6.865 ======================= Grid point 504 (239/432) ======================= q-point: (-0.64 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -13.997 5.656 8.059) 17.113 2.949 ( -5.862 0.297 -6.718) 8.921 3.146 ( -0.224 0.593 -2.256) 2.344 3.330 ( 5.345 -0.990 1.467) 5.630 3.432 ( 2.351 0.018 1.217) 2.648 3.764 ( 6.248 -4.956 -3.901) 8.877 4.402 ( 7.578 -9.261 -5.076) 12.999 4.941 ( 0.073 -8.363 -0.616) 8.386 5.324 ( -20.445 -1.309 1.819) 20.567 5.630 ( -13.661 -1.967 -0.140) 13.803 6.004 ( -10.931 1.327 1.255) 11.083 6.113 ( -12.509 0.140 6.461) 14.080 6.812 ( -1.558 1.839 -1.790) 3.002 7.112 ( -0.928 3.727 3.223) 5.014 7.751 ( 3.615 8.500 -11.310) 14.603 8.318 ( -5.140 7.656 20.776) 22.731 9.077 ( -20.316 -13.279 6.336) 25.085 9.502 ( -3.877 4.763 8.009) 10.093 9.589 ( -5.066 2.942 2.877) 6.527 10.123 ( -13.739 -8.288 -9.247) 18.519 10.910 ( 8.190 20.082 -4.007) 22.055 11.174 ( 12.514 -1.753 10.526) 16.446 11.953 ( 15.818 1.754 -13.136) 20.636 12.600 ( 18.711 -1.063 7.404) 20.151 13.212 ( -1.797 -2.456 0.330) 3.061 13.408 ( -7.933 2.528 8.786) 12.104 13.586 ( -4.720 -3.143 -4.624) 7.317 14.444 ( 13.769 -12.321 -6.009) 19.429 17.535 ( -11.013 -0.077 -11.395) 15.847 18.803 ( 8.901 -1.084 10.165) 13.555 19.270 ( 5.235 -5.827 -1.591) 7.993 19.594 ( -13.831 -4.977 3.029) 15.008 21.100 ( 2.543 12.440 -16.201) 20.584 23.045 ( -5.296 -13.767 6.282) 16.032 23.375 ( 15.553 7.512 -1.406) 17.329 24.150 ( 5.820 -0.968 8.145) 10.057 ======================= Grid point 505 (240/432) ======================= q-point: (-0.55 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -18.361 5.790 11.993) 22.682 2.697 ( -15.819 3.346 -8.284) 18.168 3.187 ( 5.070 -4.779 -1.447) 7.116 3.384 ( 1.044 1.080 2.020) 2.518 3.473 ( 1.125 -0.978 2.745) 3.124 3.871 ( 4.668 -6.561 -1.325) 8.160 4.501 ( 6.784 -6.479 -6.095) 11.187 4.823 ( -14.473 4.413 -1.465) 15.201 5.251 ( -6.426 -15.255 0.904) 16.578 5.500 ( -9.019 -4.283 -0.133) 9.985 5.849 ( -11.008 1.723 -0.242) 11.145 6.056 ( -9.881 1.190 9.474) 13.740 6.721 ( -4.766 2.251 -3.714) 6.448 7.098 ( -1.688 4.209 3.658) 5.826 7.676 ( 10.490 1.979 -11.029) 15.349 8.331 ( -9.228 6.282 7.849) 13.646 8.980 ( -18.813 -5.655 6.997) 20.854 9.488 ( -6.806 1.230 6.782) 9.686 9.568 ( -4.208 0.690 6.344) 7.644 9.956 ( -7.126 -3.806 -3.680) 8.877 10.797 ( 4.159 14.702 -3.220) 15.615 11.434 ( 9.494 1.647 7.846) 12.426 11.968 ( 13.938 2.813 -14.622) 20.395 12.844 ( 10.708 -1.397 -0.299) 10.803 13.139 ( -9.302 6.823 4.780) 12.487 13.446 ( -3.604 -2.360 3.035) 5.270 13.583 ( 5.136 -2.890 4.688) 7.531 14.672 ( 13.905 -16.075 -7.187) 22.437 17.293 ( -9.361 1.419 -4.912) 10.666 19.025 ( 7.837 -1.427 3.994) 8.911 19.378 ( 0.703 -6.568 1.984) 6.897 19.549 ( 0.906 -4.378 0.888) 4.558 20.874 ( 3.853 10.916 -12.939) 17.361 23.058 ( -9.853 -12.864 -2.057) 16.334 23.509 ( 12.827 8.335 0.852) 15.321 24.376 ( 6.194 -3.269 13.421) 15.138 ======================= Grid point 506 (241/432) ======================= q-point: (-0.45 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -22.448 5.990 -2.909) 23.415 2.331 ( -19.958 8.373 9.287) 23.552 3.238 ( 0.030 2.676 2.710) 3.808 3.455 ( 2.727 -8.646 -0.759) 9.098 3.560 ( 2.036 -1.230 8.264) 8.599 3.913 ( -6.323 -6.418 0.408) 9.019 4.511 ( -3.650 -2.222 -6.360) 7.662 4.665 ( -1.286 -1.239 2.747) 3.277 5.303 ( -4.505 -14.128 -4.766) 15.576 5.476 ( -1.094 -5.015 1.094) 5.248 5.716 ( -8.331 0.541 2.148) 8.620 6.049 ( -6.989 2.113 10.628) 12.895 6.578 ( -5.357 1.925 -5.647) 8.018 7.080 ( -3.230 2.522 2.990) 5.073 7.716 ( 12.336 -2.570 -8.935) 15.447 8.194 ( -10.931 3.349 0.842) 11.464 8.847 ( -17.040 3.666 9.341) 19.775 9.476 ( -6.193 -2.451 4.896) 8.267 9.607 ( -3.854 -1.563 7.979) 8.997 9.900 ( 1.843 6.147 0.052) 6.418 10.709 ( -2.350 0.627 -2.622) 3.576 11.562 ( 5.514 6.902 3.479) 9.494 11.939 ( 11.943 3.019 -14.233) 18.824 12.893 ( -1.502 -0.570 -4.306) 4.595 13.042 ( -6.869 5.059 8.863) 12.302 13.432 ( -0.953 -4.556 -3.839) 6.034 13.754 ( 7.708 4.448 5.576) 10.502 14.900 ( 13.807 -16.536 -8.622) 23.204 17.204 ( -3.760 -0.186 7.378) 8.283 19.032 ( -0.383 0.899 -10.359) 10.405 19.509 ( 6.367 -1.147 8.397) 10.601 19.688 ( 11.036 -6.915 -2.576) 13.276 20.717 ( 1.875 8.243 -7.180) 11.091 23.012 ( -8.259 -14.130 -3.845) 16.812 23.576 ( 6.914 7.193 0.567) 9.993 24.632 ( 3.661 -3.745 12.333) 13.399 ======================= Grid point 507 (242/432) ======================= q-point: (-0.36 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -24.597 8.562 -0.638) 26.052 2.133 ( -18.809 13.270 13.060) 26.466 3.268 ( -2.078 3.193 10.463) 11.135 3.515 ( -1.953 -7.124 -1.347) 7.508 3.712 ( 3.980 -1.940 5.389) 6.975 3.849 ( -13.967 -6.150 4.049) 15.789 4.373 ( -8.581 -6.531 -6.036) 12.358 4.837 ( 11.249 -3.535 7.401) 13.922 5.215 ( -7.543 -6.074 -9.513) 13.575 5.557 ( 3.002 -3.935 0.799) 5.013 5.709 ( -1.665 -2.181 7.321) 7.819 6.082 ( -4.872 1.518 11.137) 12.250 6.451 ( -1.354 -0.284 -5.520) 5.690 7.030 ( -6.819 -0.314 1.139) 6.921 7.791 ( 7.052 -5.518 -9.649) 13.164 8.085 ( -4.174 -0.646 3.152) 5.270 8.709 ( -14.868 10.823 14.170) 23.216 9.489 ( -4.935 -4.516 5.500) 8.660 9.627 ( -1.619 5.583 1.610) 6.032 9.898 ( 5.024 7.765 3.279) 9.812 10.654 ( -10.180 -12.712 -3.096) 16.577 11.543 ( 3.680 12.793 -2.274) 13.504 11.929 ( 10.441 -0.552 -9.814) 14.340 12.766 ( -9.584 3.380 -0.015) 10.163 13.050 ( -2.707 2.025 5.038) 6.068 13.392 ( 0.275 -2.858 -8.524) 8.994 13.800 ( 3.164 9.311 1.308) 9.921 15.089 ( 12.694 -14.399 -12.064) 22.672 17.409 ( 6.274 -6.788 20.385) 22.383 18.850 ( 1.616 6.166 -14.556) 15.891 19.680 ( 4.059 -3.619 2.996) 6.209 19.871 ( 16.881 -3.697 -4.078) 17.755 20.599 ( -2.049 7.080 -2.890) 7.917 23.012 ( -6.338 -17.887 -2.441) 19.133 23.597 ( 3.978 5.311 0.430) 6.650 24.767 ( -3.050 -1.236 4.556) 5.620 ======================= Grid point 508 (243/432) ======================= q-point: (-0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -14.185 10.617 14.013) 22.590 1.950 ( -15.254 15.068 15.568) 26.497 3.369 ( -2.585 -0.354 13.124) 13.381 3.498 ( -5.833 -3.691 -0.443) 6.917 3.719 ( -15.728 -4.513 5.265) 17.188 3.821 ( 3.874 0.679 -2.011) 4.418 4.296 ( -6.134 -10.548 -2.558) 12.467 4.927 ( -2.881 2.050 -11.132) 11.680 5.249 ( 9.150 -4.976 14.729) 18.039 5.605 ( 0.056 -1.122 -0.683) 1.315 5.829 ( 4.478 -0.846 6.755) 8.149 6.174 ( -3.636 -2.440 14.758) 15.394 6.457 ( 6.722 -3.325 -2.113) 7.791 6.941 ( -9.429 -3.919 -0.558) 10.226 7.709 ( -1.820 -1.322 -13.877) 14.058 8.180 ( -0.381 -6.848 8.305) 10.771 8.645 ( -9.915 12.765 22.018) 27.314 9.503 ( -0.631 12.894 -4.171) 13.566 9.568 ( -2.341 -6.655 7.474) 10.278 9.972 ( 6.150 4.563 4.535) 8.900 10.544 ( -19.379 -16.949 -5.124) 26.250 11.414 ( 4.282 17.396 -6.161) 18.945 11.991 ( 8.854 -4.905 -6.572) 12.068 12.618 ( -10.120 2.958 1.840) 10.703 13.011 ( -3.193 7.340 0.904) 8.055 13.308 ( -0.335 0.086 -5.760) 5.771 13.753 ( 0.825 7.380 -0.504) 7.443 15.171 ( 9.747 -10.724 -17.509) 22.728 17.895 ( 13.299 -15.166 19.860) 28.307 18.694 ( 10.745 10.145 -10.527) 18.144 19.724 ( -4.755 -10.567 -4.448) 12.411 20.100 ( 23.538 1.705 -3.299) 23.829 20.453 ( -6.345 9.166 -2.100) 11.344 23.090 ( -5.832 -22.091 -0.188) 22.849 23.606 ( 3.173 3.512 -0.383) 4.748 24.639 ( -13.891 5.347 -5.574) 15.895 ======================= Grid point 509 (244/432) ======================= q-point: (-0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.040 6.951 24.002) 25.071 1.875 ( -10.326 12.065 21.030) 26.353 3.408 ( -6.083 -2.529 -3.172) 7.312 3.483 ( -15.335 -1.599 20.211) 25.421 3.638 ( -2.315 -2.928 -0.221) 3.739 3.823 ( 7.030 3.344 -6.752) 10.305 4.317 ( -2.766 -11.230 -0.776) 11.592 4.727 ( -1.532 7.325 -9.008) 11.711 5.501 ( -0.461 -3.063 -1.742) 3.554 5.658 ( 0.019 -0.523 19.434) 19.441 5.995 ( 10.871 0.736 5.000) 11.988 6.373 ( -1.543 -5.935 18.704) 19.683 6.592 ( 9.561 -2.095 0.603) 9.806 6.860 ( -7.682 -7.462 -1.652) 10.837 7.486 ( -4.908 3.348 -13.336) 14.599 8.321 ( -11.466 -7.812 19.431) 23.876 8.763 ( 0.352 7.151 21.337) 22.507 9.326 ( -1.265 12.456 -3.967) 13.133 9.711 ( -0.345 -9.026 6.655) 11.220 10.065 ( 8.181 10.432 4.399) 13.968 10.341 ( -23.081 -19.324 -3.882) 30.352 11.237 ( 5.222 19.535 -7.822) 21.681 12.019 ( 2.392 -3.648 -11.114) 11.939 12.528 ( -7.081 -3.836 3.346) 8.721 12.901 ( -2.739 12.843 3.764) 13.661 13.271 ( 1.880 0.344 -2.331) 3.014 13.696 ( 0.286 3.882 -2.335) 4.539 15.120 ( 6.098 -6.915 -21.404) 23.305 18.236 ( 5.578 -9.478 -4.870) 12.028 18.875 ( 28.181 2.750 8.889) 29.677 19.637 ( -11.300 -14.136 -10.355) 20.850 20.207 ( -8.536 9.103 -7.606) 14.615 20.397 ( 25.028 5.672 3.070) 25.846 23.197 ( -10.254 -25.206 0.342) 27.214 23.615 ( 4.625 2.660 -2.140) 5.749 24.205 ( -23.835 14.801 -9.598) 29.653 ======================= Grid point 510 (245/432) ======================= q-point: (-0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -3.659 4.457 25.031) 25.686 2.003 ( 4.069 2.950 21.833) 22.404 3.301 ( -4.778 -1.252 -4.838) 6.914 3.511 ( -15.170 0.553 21.432) 26.263 3.697 ( 6.856 -5.932 -6.406) 11.100 3.798 ( 7.275 5.923 -5.781) 11.019 4.368 ( 0.099 -11.359 -4.941) 12.388 4.557 ( 0.155 10.562 -6.432) 12.367 5.464 ( -2.011 -0.224 1.216) 2.361 5.835 ( -9.049 -0.017 19.050) 21.090 6.207 ( 11.662 0.030 3.894) 12.295 6.638 ( 0.286 -6.000 15.920) 17.015 6.706 ( 0.921 1.429 7.409) 7.602 6.830 ( -0.808 -4.546 -2.700) 5.349 7.286 ( -4.712 1.287 -4.640) 6.737 8.487 ( -16.342 -6.347 30.055) 34.795 8.964 ( 2.886 -1.405 12.754) 13.152 9.213 ( 2.374 11.631 2.091) 12.054 9.790 ( -9.928 -7.629 3.079) 12.894 9.982 ( -4.437 10.117 -2.203) 11.265 10.407 ( 4.844 -16.963 7.910) 19.333 11.045 ( 4.870 17.856 -9.555) 20.829 11.861 ( -2.490 -0.287 -15.235) 15.440 12.534 ( -6.186 -8.374 -1.916) 10.586 12.846 ( -1.778 10.916 10.532) 15.272 13.296 ( 7.200 0.793 -2.482) 7.657 13.643 ( -0.401 1.314 -2.858) 3.171 14.965 ( 2.483 -3.361 -21.882) 22.277 18.252 ( 7.692 -1.857 -10.424) 13.087 19.351 ( 20.654 0.765 5.406) 21.364 19.429 ( -9.809 -14.781 -15.250) 23.394 19.893 ( -14.192 10.226 -4.195) 17.989 20.767 ( 28.780 1.936 5.296) 29.327 23.157 ( -26.649 -20.023 -5.870) 33.846 23.627 ( -0.461 6.945 0.003) 6.960 23.703 ( -8.611 11.023 -5.199) 14.922 ======================= Grid point 512 (246/432) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 6.668 0.000 10.917) 12.792 2.866 ( 3.342 0.000 23.894) 24.127 3.079 ( 2.062 0.000 -7.644) 7.917 3.378 ( -4.362 -0.000 -8.535) 9.585 3.459 ( -0.326 -0.000 -7.789) 7.795 3.778 ( 3.978 0.000 -12.052) 12.691 4.223 ( -1.730 -0.000 -4.940) 5.234 4.508 ( 5.701 0.000 2.520) 6.234 5.750 ( -6.200 -0.000 9.622) 11.446 5.876 ( -15.084 -0.000 8.314) 17.224 6.255 ( -8.029 -0.000 1.163) 8.113 6.323 ( -11.777 -0.000 0.725) 11.800 6.925 ( -5.118 -0.000 0.591) 5.152 6.998 ( 5.110 0.000 0.914) 5.191 7.881 ( -2.506 -0.000 36.671) 36.756 8.741 ( -18.447 -0.000 -14.703) 23.590 8.818 ( -18.675 -0.000 21.275) 28.309 9.443 ( 1.607 0.000 5.348) 5.584 9.837 ( 1.284 0.000 -5.199) 5.355 10.161 ( 14.810 0.000 25.056) 29.105 10.520 ( -3.276 -0.000 -13.855) 14.237 11.439 ( 5.757 0.000 -16.531) 17.505 11.649 ( 20.776 0.000 16.561) 26.568 12.025 ( 6.162 0.000 -10.954) 12.569 12.997 ( -2.841 -0.000 1.528) 3.226 13.570 ( 8.996 0.000 -7.291) 11.579 13.588 ( -5.131 -0.000 6.413) 8.213 14.365 ( -1.169 -0.000 -10.843) 10.905 18.149 ( -13.251 -0.000 -18.240) 22.545 18.418 ( 12.261 0.000 -3.126) 12.653 19.276 ( -12.957 -0.000 5.298) 13.998 19.811 ( -9.591 -0.000 1.009) 9.644 21.855 ( -10.084 -0.000 -16.933) 19.708 22.216 ( 21.647 0.000 16.076) 26.964 23.337 ( -3.097 -0.000 -0.384) 3.120 23.913 ( 8.789 0.000 -1.163) 8.866 ======================= Grid point 513 (247/432) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -1.949 6.667 5.794) 9.045 3.005 ( 0.781 -2.567 -7.007) 7.503 3.156 ( 4.975 -0.549 13.337) 14.245 3.251 ( -2.414 -2.063 -6.684) 7.399 3.386 ( -0.633 2.483 1.213) 2.835 3.697 ( 5.846 -2.852 -14.078) 15.508 4.195 ( 3.517 -2.677 -3.399) 5.576 4.619 ( 2.895 -6.848 1.612) 7.608 5.664 ( -16.660 5.059 4.446) 17.970 5.751 ( -15.002 -3.180 2.474) 15.534 6.149 ( -10.421 0.943 2.132) 10.679 6.199 ( -12.649 -1.060 4.560) 13.488 6.882 ( -0.846 1.752 -0.001) 1.945 7.079 ( 4.760 -1.232 -0.021) 4.917 8.221 ( -6.985 2.835 34.027) 34.852 8.266 ( -14.612 11.993 -13.417) 23.181 8.862 ( -18.192 -12.211 13.994) 25.997 9.530 ( -0.695 1.760 8.738) 8.940 9.740 ( -2.187 1.855 -7.407) 7.943 10.272 ( -9.849 -1.316 -13.921) 17.103 10.668 ( 17.430 -2.976 20.558) 27.116 11.350 ( 11.539 7.297 -12.352) 18.411 11.994 ( 14.231 7.607 -6.720) 17.480 12.146 ( 19.796 -4.799 12.609) 23.957 13.003 ( -1.049 -7.481 -1.025) 7.623 13.552 ( -1.651 0.312 -3.423) 3.813 13.588 ( -4.862 -0.966 2.960) 5.774 14.261 ( 3.981 -0.499 -9.447) 10.264 17.805 ( -10.924 -0.424 -14.118) 17.855 18.573 ( 10.530 -0.286 4.350) 11.397 19.202 ( -6.158 -0.623 2.827) 6.804 19.662 ( -15.410 -1.586 2.044) 15.626 21.546 ( -1.500 5.525 -19.247) 20.080 22.641 ( 9.923 -4.528 15.567) 19.008 23.337 ( 5.320 0.368 -0.538) 5.360 24.015 ( 7.301 0.039 0.815) 7.346 ======================= Grid point 514 (248/432) ======================= q-point: (-0.73 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -9.692 6.168 0.570) 11.503 2.931 ( -5.586 -2.975 -8.388) 10.508 3.164 ( -2.177 1.776 -3.220) 4.273 3.289 ( 1.741 -3.302 2.426) 4.452 3.474 ( 2.944 3.913 9.920) 11.063 3.679 ( 9.085 -4.686 -10.299) 14.511 4.272 ( 7.038 -5.448 -2.054) 9.134 4.733 ( 0.011 -12.737 0.521) 12.747 5.386 ( -21.859 6.180 0.706) 22.727 5.586 ( -14.968 -3.354 -0.985) 15.370 6.025 ( -11.491 1.050 2.325) 11.771 6.114 ( -11.886 -0.013 7.823) 14.230 6.852 ( -0.765 2.918 -1.167) 3.235 7.122 ( 0.683 -1.680 -1.281) 2.220 7.904 ( -4.316 7.980 -12.242) 15.237 8.424 ( -11.253 4.675 26.217) 28.911 8.870 ( -16.777 -9.497 11.047) 22.220 9.580 ( -3.557 3.545 7.796) 9.273 9.625 ( -3.049 0.617 -2.966) 4.298 9.977 ( -14.171 -6.818 -13.758) 20.895 11.102 ( 15.491 2.044 13.361) 20.559 11.321 ( 14.698 15.577 -4.796) 21.947 12.014 ( 15.392 6.077 -11.582) 20.198 12.579 ( 17.569 -2.113 10.527) 20.590 13.087 ( 4.469 -8.882 0.656) 9.965 13.454 ( -7.555 -1.588 -2.313) 8.059 13.540 ( -8.847 0.727 4.313) 9.869 14.276 ( 10.356 -7.112 -9.706) 15.875 17.535 ( -10.236 -0.033 -9.749) 14.136 18.792 ( 7.877 -0.318 11.503) 13.945 19.199 ( 2.689 -2.688 -1.328) 4.028 19.522 ( -12.492 -3.284 2.779) 13.212 21.273 ( 2.081 7.685 -19.098) 20.691 22.854 ( -5.728 -8.445 7.028) 12.391 23.482 ( 15.498 4.838 4.460) 16.837 24.129 ( 5.773 -1.296 4.123) 7.211 ======================= Grid point 515 (249/432) ======================= q-point: (-0.64 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -13.327 3.925 6.022) 15.141 2.718 ( -12.240 -0.291 -10.117) 15.883 3.119 ( 1.905 -2.077 -3.166) 4.239 3.347 ( -2.305 -5.107 2.213) 6.025 3.547 ( 2.774 7.749 5.780) 10.057 3.754 ( 6.232 -6.603 -4.775) 10.258 4.395 ( 6.941 -5.565 -1.343) 8.998 4.812 ( -5.949 -9.597 -1.554) 11.398 5.071 ( -18.865 -1.608 0.339) 18.936 5.433 ( -10.177 -3.691 -0.758) 10.852 5.882 ( -11.920 2.004 1.691) 12.205 6.076 ( -9.700 1.046 10.500) 14.333 6.766 ( -4.715 3.560 -3.052) 6.650 7.106 ( -2.846 -2.919 -1.545) 4.360 7.736 ( 5.043 4.073 -9.962) 11.885 8.433 ( -15.926 5.700 12.876) 21.258 8.860 ( -12.935 -6.098 10.187) 17.558 9.549 ( -9.711 4.009 5.123) 11.689 9.583 ( -0.037 -0.714 0.134) 0.727 9.774 ( -11.219 -12.024 -3.416) 16.796 11.172 ( 10.155 24.368 -4.043) 26.708 11.494 ( 13.603 4.873 9.985) 17.564 12.025 ( 15.126 4.430 -13.610) 20.824 12.818 ( 8.767 -2.549 -1.288) 9.220 13.179 ( -2.942 -1.159 -2.458) 4.005 13.455 ( -11.023 2.457 6.782) 13.173 13.490 ( 7.872 -7.038 8.548) 13.585 14.407 ( 12.794 -14.393 -10.178) 21.781 17.316 ( -9.691 1.157 -4.083) 10.579 19.001 ( 4.525 -1.378 5.935) 7.589 19.296 ( 7.475 -3.208 2.626) 8.548 19.485 ( -0.734 -3.259 2.474) 4.157 21.031 ( 2.230 7.528 -16.502) 18.274 22.847 ( -11.497 -10.964 -0.514) 15.896 23.675 ( 13.339 10.258 4.601) 17.445 24.305 ( 5.174 -5.036 9.702) 12.094 ======================= Grid point 516 (250/432) ======================= q-point: (-0.55 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -16.418 3.691 -8.606) 18.900 2.452 ( -16.509 6.508 12.807) 21.884 3.181 ( 5.984 -7.559 -2.974) 10.089 3.370 ( -3.184 -4.399 1.263) 5.575 3.593 ( 1.079 5.824 9.478) 11.176 3.791 ( -2.609 -7.275 -3.693) 8.566 4.480 ( -1.044 -1.666 -2.468) 3.155 4.651 ( -9.806 -0.481 0.958) 9.864 5.032 ( -5.433 -16.894 -2.597) 17.936 5.395 ( -1.994 -4.340 2.789) 5.531 5.740 ( -10.556 2.087 3.229) 11.234 6.083 ( -6.953 1.788 11.232) 13.331 6.612 ( -7.275 2.593 -4.719) 9.051 7.063 ( -5.807 -4.415 -1.851) 7.526 7.704 ( 7.789 0.586 -7.818) 11.051 8.254 ( -16.676 4.085 3.258) 17.475 8.867 ( -8.854 -0.085 10.303) 13.585 9.442 ( -10.057 -1.479 3.055) 10.614 9.619 ( 0.752 0.653 4.314) 4.428 9.777 ( -8.247 -14.361 3.804) 16.992 10.998 ( 5.700 28.328 -4.240) 29.205 11.693 ( 10.210 7.714 6.346) 14.284 12.007 ( 13.415 4.958 -14.926) 20.672 12.864 ( 1.772 -2.228 -5.289) 6.007 13.096 ( -6.474 -0.978 1.618) 6.745 13.370 ( -7.844 -1.442 1.477) 8.111 13.791 ( 11.826 0.354 9.113) 14.934 14.599 ( 13.183 -18.417 -9.968) 24.746 17.201 ( -6.302 -0.123 4.743) 7.888 19.029 ( 1.735 -1.173 -8.201) 8.464 19.499 ( 9.273 0.221 8.950) 12.890 19.608 ( 11.203 -3.050 0.642) 11.628 20.830 ( 0.102 5.247 -11.312) 12.470 22.765 ( -12.887 -13.719 -2.926) 19.048 23.752 ( 8.504 12.537 1.701) 15.244 24.543 ( 2.686 -6.825 11.794) 13.889 ======================= Grid point 517 (251/432) ======================= q-point: (-0.45 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -17.500 10.393 -0.246) 20.355 2.328 ( -16.397 9.973 14.038) 23.778 3.290 ( 3.719 -3.327 1.555) 5.227 3.383 ( -2.485 -6.543 0.191) 7.002 3.693 ( -4.854 -2.777 8.423) 10.111 3.752 ( -3.607 -2.648 2.829) 5.294 4.289 ( -13.257 -2.640 -6.493) 14.996 4.767 ( 9.189 -4.651 5.820) 11.830 5.045 ( -6.055 -13.407 -3.739) 15.179 5.496 ( 3.134 -3.549 4.505) 6.536 5.680 ( -5.999 -0.810 7.923) 9.971 6.117 ( -4.756 2.249 10.294) 11.560 6.449 ( -5.754 0.287 -5.226) 7.778 6.979 ( -10.267 -5.904 -2.222) 12.050 7.718 ( 4.666 -3.087 -7.501) 9.357 8.080 ( -10.014 0.289 2.728) 10.384 8.864 ( -6.729 7.457 12.202) 15.805 9.390 ( -8.773 -6.012 3.645) 11.242 9.684 ( 1.587 2.617 5.777) 6.537 9.845 ( -7.472 -15.704 2.429) 17.560 10.769 ( 1.109 25.989 -2.666) 26.149 11.776 ( 9.307 13.474 1.275) 16.425 11.954 ( 10.784 3.575 -14.009) 18.037 12.797 ( -5.644 0.260 -2.209) 6.066 13.077 ( -3.659 0.056 4.724) 5.976 13.312 ( -3.157 -4.958 -4.122) 7.180 13.942 ( 6.059 6.780 1.983) 9.307 14.807 ( 12.156 -18.581 -10.861) 24.718 17.300 ( 0.641 -5.898 15.122) 16.244 18.925 ( 4.771 2.256 -14.668) 15.588 19.639 ( 2.577 0.054 1.104) 2.804 19.849 ( 21.525 0.019 0.556) 21.532 20.683 ( -3.342 2.952 -4.735) 6.504 22.700 ( -12.659 -17.550 -1.548) 21.694 23.750 ( 6.154 11.762 -0.032) 13.275 24.711 ( -3.494 -5.371 7.447) 9.824 ======================= Grid point 518 (252/432) ======================= q-point: (-0.36 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -9.787 14.852 13.004) 22.033 2.193 ( -14.485 13.181 15.021) 24.681 3.365 ( -1.128 -0.692 5.207) 5.372 3.409 ( -3.303 -6.740 0.756) 7.544 3.638 ( -13.228 -5.168 4.172) 14.802 3.856 ( 3.894 3.235 6.182) 7.991 4.119 ( -7.687 -9.158 -6.151) 13.445 4.905 ( 0.063 -5.226 -6.962) 8.706 5.146 ( 5.560 -7.184 12.904) 15.781 5.585 ( -0.014 -0.717 4.874) 4.926 5.794 ( 2.701 -3.670 9.439) 10.481 6.161 ( -4.262 0.864 10.803) 11.645 6.386 ( 1.297 -4.466 -2.075) 5.093 6.853 ( -13.670 -6.867 -1.096) 15.337 7.667 ( -1.678 -3.100 -9.107) 9.766 8.075 ( -2.201 -5.626 4.234) 7.377 8.856 ( -7.603 11.905 17.615) 22.579 9.414 ( -5.213 -9.812 5.503) 12.399 9.705 ( 1.866 9.232 0.594) 9.438 9.888 ( -9.584 -16.715 0.854) 19.287 10.554 ( -1.429 20.851 0.737) 20.913 11.729 ( 10.830 19.615 -7.471) 23.619 11.941 ( 7.747 -1.126 -7.373) 10.754 12.675 ( -9.199 3.059 0.185) 9.695 13.083 ( -2.973 1.728 4.181) 5.413 13.270 ( -0.005 -4.160 -5.817) 7.152 13.912 ( 0.796 10.069 -0.877) 10.138 14.943 ( 8.940 -16.024 -15.271) 23.873 17.648 ( 7.264 -13.831 18.912) 24.530 18.815 ( 11.414 3.475 -15.990) 19.951 19.613 ( -3.852 -1.611 -4.399) 6.065 20.128 ( 23.929 1.572 -3.777) 24.276 20.573 ( -4.983 4.861 0.691) 6.996 22.703 ( -12.287 -21.724 1.522) 25.005 23.726 ( 5.625 9.696 -1.545) 11.315 24.680 ( -12.242 -0.491 -0.318) 12.256 ======================= Grid point 519 (253/432) ======================= q-point: (-0.27 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.692 12.336 20.816) 24.207 2.103 ( -11.342 13.662 18.905) 25.936 3.349 ( -6.155 -4.328 -2.376) 7.890 3.454 ( -7.306 -1.849 11.776) 13.981 3.590 ( -3.889 -2.499 2.506) 5.258 3.897 ( 5.473 5.857 -1.552) 8.165 4.112 ( -2.226 -12.808 -2.034) 13.158 4.817 ( -1.194 2.449 -5.885) 6.485 5.420 ( 2.970 -6.348 5.512) 8.916 5.656 ( -1.806 0.539 14.554) 14.675 5.996 ( 10.055 -1.576 6.489) 12.070 6.274 ( -3.365 -4.787 15.504) 16.572 6.502 ( 6.726 -8.252 2.002) 10.832 6.735 ( -13.205 -7.135 1.726) 15.108 7.521 ( -3.983 0.616 -11.467) 12.155 8.165 ( -5.748 -10.153 8.192) 14.256 8.906 ( -7.215 9.192 23.184) 25.962 9.535 ( -0.590 -8.339 5.602) 10.063 9.596 ( 1.243 14.381 -1.919) 14.561 9.901 ( -13.185 -20.930 0.377) 24.740 10.408 ( 1.473 20.086 3.340) 20.415 11.586 ( 9.992 21.346 -10.102) 25.643 11.957 ( 4.617 -2.632 -9.289) 10.701 12.521 ( -10.368 1.733 0.160) 10.513 13.063 ( -2.470 6.132 4.787) 8.162 13.263 ( 3.133 -1.513 -2.706) 4.407 13.808 ( -1.534 9.011 -1.467) 9.258 14.953 ( 5.240 -12.812 -19.599) 23.995 18.038 ( 6.952 -13.379 6.885) 16.575 18.868 ( 19.421 -4.962 -7.863) 21.532 19.485 ( -7.491 -2.399 -6.845) 10.427 20.258 ( 2.056 -0.828 -9.352) 9.611 20.567 ( 15.333 11.915 5.554) 20.196 22.761 ( -14.099 -24.540 3.179) 28.479 23.704 ( 6.374 7.261 -3.179) 10.171 24.395 ( -20.428 7.466 -5.928) 22.542 ======================= Grid point 520 (254/432) ======================= q-point: (-0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.701 6.365 18.831) 20.426 2.120 ( -8.140 10.261 23.512) 26.914 3.263 ( -5.062 -3.191 -4.341) 7.393 3.519 ( -7.197 -0.414 14.235) 15.956 3.615 ( 2.356 -3.001 -2.538) 4.583 3.895 ( 6.252 5.826 -3.198) 9.124 4.178 ( 1.737 -11.022 -4.208) 11.925 4.714 ( 0.379 7.678 -4.013) 8.672 5.457 ( -1.547 -0.586 1.787) 2.435 5.832 ( -6.703 -0.401 18.873) 20.032 6.206 ( 11.015 -0.358 3.560) 11.582 6.516 ( -0.077 -8.167 18.566) 20.283 6.684 ( -1.654 -3.826 4.899) 6.432 6.697 ( -1.406 -10.469 4.252) 11.386 7.317 ( -6.056 1.958 -8.009) 10.230 8.301 ( -10.193 -14.284 16.152) 23.850 9.006 ( -7.388 5.387 18.355) 20.506 9.474 ( 5.958 18.266 3.410) 19.514 9.649 ( -7.388 -8.891 4.098) 12.265 9.955 ( -7.510 -19.110 2.930) 20.741 10.330 ( 6.167 15.851 2.748) 17.229 11.406 ( 8.589 22.715 -9.483) 26.070 11.850 ( -0.300 -0.875 -15.269) 15.297 12.410 ( -8.917 -5.117 -1.098) 10.339 13.042 ( -1.719 10.424 8.584) 13.613 13.312 ( 7.571 0.731 -1.558) 7.764 13.698 ( -2.156 5.670 -2.304) 6.489 14.855 ( 1.957 -9.630 -20.975) 23.163 18.193 ( 7.846 -5.056 -6.301) 11.262 19.097 ( -2.346 -21.387 -8.664) 23.195 19.393 ( 11.273 3.377 -0.767) 11.793 20.048 ( -10.741 5.994 -8.504) 14.954 20.844 ( 25.981 7.470 6.289) 27.756 22.775 ( -19.757 -22.717 0.493) 30.110 23.702 ( 7.767 4.770 -4.135) 10.009 23.951 ( -21.030 13.439 -5.009) 25.455 ======================= Grid point 521 (255/432) ======================= q-point: (-0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -3.887 3.143 23.477) 24.003 2.294 ( 5.688 4.429 18.015) 19.404 3.182 ( -1.965 -2.297 -5.455) 6.236 3.576 ( -3.109 -0.849 4.431) 5.479 3.610 ( -0.087 -3.410 -5.968) 6.874 3.887 ( 6.201 5.193 -4.514) 9.263 4.243 ( 3.240 -7.226 -3.092) 8.501 4.589 ( 0.031 11.160 -4.562) 12.057 5.510 ( 0.247 -0.573 8.592) 8.614 5.911 ( -10.630 0.810 15.993) 19.220 6.330 ( 2.996 -0.460 0.924) 3.169 6.613 ( -5.047 -0.953 -2.205) 5.589 6.827 ( 4.629 -4.612 0.830) 6.586 6.886 ( -5.387 -5.895 26.563) 27.737 7.221 ( -2.964 -2.446 4.540) 5.948 8.502 ( -13.828 -17.447 20.975) 30.587 9.064 ( -2.041 0.769 9.843) 10.082 9.515 ( 6.762 18.090 11.935) 22.703 9.632 ( -10.942 -4.482 5.811) 13.175 9.927 ( -5.550 3.398 -3.729) 7.500 10.476 ( 10.313 -12.958 3.110) 16.851 11.230 ( 9.151 23.829 -5.019) 26.015 11.678 ( 2.513 0.326 -15.431) 15.638 12.299 ( -10.042 -8.661 -7.806) 15.388 13.039 ( -1.346 11.667 9.776) 15.281 13.405 ( 10.854 1.829 -1.894) 11.169 13.613 ( -2.013 1.875 -1.682) 3.224 14.696 ( -0.632 -6.421 -18.804) 19.880 18.248 ( 10.861 -1.758 -8.719) 14.038 18.915 ( -16.545 -11.353 -15.841) 25.565 19.596 ( 1.934 -1.482 0.308) 2.456 19.785 ( -1.009 5.989 -3.227) 6.878 21.240 ( 26.664 2.073 9.598) 28.415 22.594 ( -24.977 -11.821 -6.472) 28.381 23.585 ( -13.524 9.541 0.426) 16.556 23.744 ( 9.430 2.212 -4.424) 10.649 ======================= Grid point 524 (256/432) ======================= q-point: ( 0.18 -0.82 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -4.428 -0.000 -11.681) 12.493 2.856 ( -9.707 -0.000 -0.512) 9.721 3.197 ( -0.799 -0.000 -1.400) 1.612 3.247 ( -2.009 -0.000 2.053) 2.873 3.516 ( 2.043 0.000 14.775) 14.915 3.632 ( 12.294 0.000 -14.717) 19.177 4.228 ( 6.809 0.000 -1.007) 6.883 4.610 ( -1.178 -0.000 0.658) 1.350 5.466 ( -22.656 -0.000 -0.253) 22.658 5.535 ( -14.284 -0.000 -0.617) 14.297 6.035 ( -11.694 -0.000 2.643) 11.989 6.113 ( -11.598 -0.000 8.503) 14.381 6.886 ( 0.312 0.000 -0.827) 0.883 7.097 ( 0.379 0.000 -3.010) 3.033 7.977 ( -7.812 -0.000 -14.552) 16.517 8.465 ( -13.516 -0.000 28.687) 31.711 8.788 ( -14.766 -0.000 15.332) 21.286 9.614 ( -3.421 -0.000 -7.738) 8.461 9.619 ( -4.248 -0.000 10.252) 11.097 9.922 ( -11.996 -0.000 -17.025) 20.827 11.116 ( 16.458 0.000 17.759) 24.212 11.462 ( 18.293 0.000 -9.264) 20.505 12.103 ( 15.237 0.000 -11.226) 18.926 12.540 ( 14.186 0.000 12.617) 18.985 13.000 ( 7.539 0.000 3.148) 8.170 13.417 ( -4.692 -0.000 -10.035) 11.078 13.563 ( -11.654 -0.000 9.610) 15.105 14.216 ( 8.277 0.000 -11.190) 13.919 17.534 ( -9.913 -0.000 -9.130) 13.476 18.790 ( 7.514 0.000 12.113) 14.254 19.177 ( 1.560 0.000 -1.090) 1.903 19.493 ( -11.761 -0.000 2.451) 12.014 21.341 ( 1.942 0.000 -20.708) 20.799 22.780 ( -5.993 -0.000 7.667) 9.731 23.524 ( 15.551 0.000 7.368) 17.208 24.116 ( 5.758 0.000 2.014) 6.100 ======================= Grid point 526 (257/432) ======================= q-point: (-0.73 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -6.549 1.515 -7.644) 10.179 2.702 ( -11.811 -1.166 -3.413) 12.349 3.128 ( -1.822 2.626 -3.384) 4.655 3.253 ( -4.877 -5.076 2.922) 7.621 3.639 ( 8.410 0.335 -7.421) 11.221 3.694 ( 2.118 1.359 9.026) 9.371 4.332 ( 6.926 -1.669 1.766) 7.340 4.621 ( -2.647 -8.228 -0.270) 8.648 5.111 ( -25.080 2.649 -2.880) 25.383 5.381 ( -9.362 -2.006 -0.397) 9.583 5.908 ( -12.541 0.939 3.319) 13.007 6.088 ( -9.646 0.350 10.981) 14.620 6.839 ( -2.951 4.283 -2.764) 5.889 7.029 ( -5.217 -4.769 -4.792) 8.539 7.786 ( 1.724 1.534 -10.721) 10.967 8.511 ( -19.418 2.998 17.382) 26.233 8.802 ( -10.774 -1.193 15.288) 18.741 9.470 ( -9.476 -6.403 -8.591) 14.304 9.632 ( -4.676 3.373 -0.489) 5.786 9.675 ( -5.965 -2.011 2.163) 6.656 11.455 ( 12.755 7.008 8.511) 16.859 11.589 ( 17.705 5.418 -2.811) 18.728 12.131 ( 15.126 6.912 -12.604) 20.867 12.731 ( 3.517 -6.397 0.122) 7.301 13.188 ( -2.062 3.508 -5.851) 7.126 13.338 ( 12.561 -8.303 4.669) 15.765 13.514 ( -12.583 2.093 14.511) 19.320 14.229 ( 11.463 -5.823 -12.656) 18.041 17.330 ( -9.951 0.443 -3.609) 10.595 18.983 ( 2.039 -0.558 6.345) 6.688 19.264 ( 10.890 -0.789 3.916) 11.599 19.445 ( -0.637 -1.328 3.173) 3.498 21.119 ( 1.386 2.766 -19.214) 19.461 22.716 ( -11.670 -4.145 0.194) 12.385 23.819 ( 13.427 5.551 10.871) 18.146 24.224 ( 4.212 -3.556 4.247) 6.959 ======================= Grid point 527 (258/432) ======================= q-point: (-0.64 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -7.526 1.659 -7.963) 11.082 2.542 ( -12.716 3.509 8.513) 15.700 3.078 ( 2.574 -3.220 -4.925) 6.423 3.268 ( -5.640 -6.946 2.863) 9.394 3.633 ( 0.318 -3.808 -5.833) 6.973 3.769 ( -1.338 6.270 9.187) 11.203 4.456 ( 2.554 -0.972 3.096) 4.130 4.620 ( -8.034 -4.901 -2.378) 9.707 4.801 ( -13.688 -8.040 -1.938) 15.992 5.337 ( -2.116 -2.481 3.058) 4.471 5.776 ( -12.837 1.929 5.195) 13.982 6.106 ( -7.106 0.896 11.586) 13.621 6.677 ( -7.954 5.220 -4.538) 10.541 6.949 ( -7.364 -8.424 -5.297) 12.379 7.717 ( 4.490 0.616 -7.987) 9.184 8.336 ( -19.701 5.377 5.277) 21.092 8.872 ( -7.084 0.758 15.714) 17.253 9.316 ( -9.261 -12.933 -8.634) 18.099 9.604 ( -1.343 0.888 4.982) 5.235 9.670 ( -7.910 -0.645 8.440) 11.586 11.475 ( 10.441 24.759 -3.219) 27.063 11.790 ( 11.933 2.919 5.139) 13.316 12.108 ( 14.399 7.355 -13.509) 21.070 12.804 ( 2.844 -6.247 -4.232) 8.064 13.029 ( -6.586 -4.012 -5.746) 9.617 13.375 ( -11.049 0.667 4.533) 11.961 13.786 ( 14.011 -0.335 14.299) 20.022 14.321 ( 12.692 -13.378 -12.403) 22.224 17.200 ( -8.181 -0.057 2.987) 8.709 19.004 ( 3.610 -1.395 -8.495) 9.335 19.512 ( 9.936 1.000 11.773) 15.438 19.573 ( 12.130 -1.280 3.139) 12.595 20.894 ( -1.016 2.516 -15.602) 15.837 22.581 ( -13.614 -7.696 -2.619) 15.856 23.970 ( 7.207 12.865 5.871) 15.872 24.406 ( 2.538 -9.257 8.924) 13.107 ======================= Grid point 528 (259/432) ======================= q-point: (-0.55 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -8.827 10.241 0.611) 13.534 2.475 ( -12.345 7.595 13.600) 19.876 3.151 ( 5.698 -9.951 -2.435) 11.723 3.291 ( -3.952 -6.690 2.017) 8.028 3.584 ( -6.170 -7.232 -3.315) 10.068 3.800 ( -2.855 5.166 10.503) 12.048 4.294 ( -14.809 2.837 -3.536) 15.487 4.678 ( 4.923 -6.640 0.894) 8.314 4.813 ( -2.451 -12.035 3.184) 12.688 5.434 ( 3.491 -3.555 6.569) 8.245 5.685 ( -11.062 1.175 9.273) 14.482 6.148 ( -4.920 1.380 10.525) 11.700 6.471 ( -9.014 2.679 -4.841) 10.576 6.843 ( -10.781 -9.629 -5.657) 15.522 7.684 ( 2.653 -1.156 -6.978) 7.554 8.105 ( -13.695 2.749 0.947) 14.000 8.958 ( -4.088 3.863 14.773) 15.807 9.245 ( -7.597 -12.931 -4.394) 15.628 9.624 ( -14.464 -5.761 11.675) 19.460 9.719 ( 3.678 1.269 5.455) 6.700 11.295 ( 6.583 32.434 -4.018) 33.339 11.926 ( 8.564 3.952 0.004) 9.432 12.071 ( 13.849 9.623 -12.108) 20.761 12.791 ( -1.035 -0.768 -3.995) 4.198 12.995 ( -1.520 -9.305 -2.226) 9.687 13.276 ( -10.440 0.257 4.213) 11.261 14.027 ( 8.577 3.781 3.545) 10.021 14.493 ( 12.043 -17.919 -9.780) 23.702 17.217 ( -3.050 -3.791 11.001) 12.029 18.929 ( 6.285 -1.157 -16.868) 18.038 19.683 ( 3.443 4.364 5.769) 8.012 19.852 ( 22.954 0.194 2.423) 23.082 20.705 ( -3.877 -0.067 -9.097) 9.889 22.456 ( -13.463 -11.094 -1.356) 17.497 23.969 ( 4.006 13.768 2.026) 14.481 24.590 ( -3.042 -8.969 7.969) 12.377 ======================= Grid point 529 (260/432) ======================= q-point: (-0.45 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -5.406 15.979 11.818) 20.597 2.393 ( -12.032 11.213 13.860) 21.508 3.269 ( -1.917 -9.365 0.418) 9.568 3.331 ( 0.617 -4.246 2.260) 4.850 3.539 ( -6.320 -6.942 -0.018) 9.388 3.853 ( -5.564 -4.048 8.067) 10.603 4.093 ( -3.903 6.950 -1.565) 8.123 4.753 ( 0.125 -12.159 -4.985) 13.142 5.023 ( 5.550 -6.836 12.871) 15.595 5.583 ( 1.665 -0.197 7.822) 7.999 5.718 ( -4.789 -4.291 13.399) 14.862 6.187 ( -4.592 1.675 8.878) 10.135 6.328 ( -4.524 -1.986 -2.000) 5.330 6.712 ( -12.218 -9.544 -4.061) 16.026 7.625 ( -1.359 -1.589 -6.901) 7.211 7.993 ( -5.658 -4.077 0.146) 6.976 9.025 ( -4.882 7.629 14.183) 16.828 9.237 ( -6.198 -11.865 2.325) 13.587 9.612 ( -17.089 -11.396 9.100) 22.465 9.825 ( 5.679 4.884 5.157) 9.094 11.042 ( 4.269 33.192 -2.805) 33.583 11.936 ( 7.593 0.997 -12.603) 14.747 12.048 ( 13.143 16.447 -3.081) 21.277 12.715 ( -5.324 2.124 -1.878) 6.032 13.042 ( -0.265 -7.584 -0.960) 7.649 13.217 ( -5.247 -1.089 3.320) 6.304 14.055 ( 2.535 6.608 -1.956) 7.343 14.656 ( 8.056 -17.358 -11.879) 22.524 17.444 ( 3.288 -10.143 16.924) 20.003 18.813 ( 8.918 -2.771 -22.057) 23.952 19.670 ( -1.807 7.167 -0.617) 7.416 20.149 ( 22.032 0.882 -4.813) 22.569 20.613 ( -0.880 -0.030 0.770) 1.170 22.398 ( -12.238 -14.174 1.992) 18.832 23.912 ( 3.036 12.080 -0.392) 12.462 24.628 ( -10.692 -5.498 2.641) 12.309 ======================= Grid point 530 (261/432) ======================= q-point: (-0.36 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -1.759 14.300 17.001) 22.284 2.317 ( -10.434 12.223 16.124) 22.765 3.264 ( -6.298 -5.798 -1.139) 8.636 3.411 ( -0.536 -3.483 4.591) 5.788 3.545 ( -1.925 -3.794 2.460) 4.914 3.906 ( -2.701 -10.601 1.201) 11.005 4.032 ( 2.902 10.189 2.331) 10.848 4.790 ( 1.299 -5.861 -3.695) 7.049 5.301 ( 4.076 -7.434 10.526) 13.515 5.679 ( -1.638 2.143 12.612) 12.897 5.912 ( 2.367 -8.197 12.514) 15.146 6.233 ( -3.959 -0.630 10.600) 11.332 6.356 ( 0.363 -7.880 3.572) 8.659 6.613 ( -9.329 -7.394 -0.403) 11.911 7.518 ( -3.424 -0.411 -8.096) 8.800 7.994 ( -4.880 -10.019 0.515) 11.156 9.050 ( -8.457 7.201 17.963) 21.120 9.351 ( -0.767 -11.405 7.199) 13.508 9.578 ( -17.169 -13.125 6.261) 22.500 9.871 ( 5.299 12.544 2.321) 13.814 10.816 ( 3.801 28.031 0.114) 28.288 11.852 ( 9.478 4.304 -16.197) 19.253 12.026 ( 9.256 15.912 -4.572) 18.967 12.559 ( -10.734 2.515 -3.050) 11.439 13.092 ( -0.350 -3.362 2.600) 4.264 13.241 ( 1.741 -0.170 3.440) 3.859 13.965 ( -1.859 8.665 -2.334) 9.165 14.706 ( 3.817 -15.813 -16.490) 23.164 17.809 ( 6.578 -13.202 14.404) 20.616 18.730 ( 9.765 -9.713 -20.756) 24.910 19.543 ( -2.000 7.606 -4.030) 8.837 20.220 ( 0.484 -3.355 -8.644) 9.285 20.744 ( 19.075 8.589 5.129) 21.539 22.410 ( -12.098 -16.775 4.128) 21.091 23.846 ( 3.395 9.357 -2.331) 10.223 24.459 ( -17.786 0.541 -2.915) 18.031 ======================= Grid point 531 (262/432) ======================= q-point: (-0.27 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -0.782 7.420 15.805) 17.478 2.307 ( -6.778 11.714 19.684) 23.887 3.199 ( -5.597 -4.344 -3.277) 7.806 3.480 ( 0.793 -3.497 1.141) 3.763 3.589 ( -0.869 -2.089 3.026) 3.778 4.008 ( 2.711 7.011 -0.888) 7.569 4.013 ( 4.444 -6.879 2.420) 8.540 4.797 ( 2.603 1.848 -2.427) 4.010 5.439 ( -0.368 -1.801 4.519) 4.879 5.826 ( -3.639 -0.107 17.374) 17.751 6.170 ( 7.784 -5.638 6.910) 11.837 6.373 ( -3.247 -7.730 19.121) 20.878 6.511 ( -3.509 -10.677 9.868) 14.956 6.599 ( -0.268 -5.363 0.801) 5.429 7.346 ( -6.582 1.512 -8.853) 11.135 8.049 ( -7.003 -14.896 4.978) 17.196 9.102 ( -10.407 5.417 19.603) 22.846 9.500 ( -10.623 -8.542 8.790) 16.220 9.609 ( 0.617 -15.744 4.971) 16.521 9.826 ( 5.421 18.517 3.079) 19.538 10.666 ( 2.494 22.073 1.489) 22.263 11.747 ( 11.705 10.861 -14.676) 21.688 11.881 ( 2.460 11.585 -13.171) 17.713 12.362 ( -12.458 -1.226 -3.138) 12.905 13.151 ( -0.325 1.295 6.875) 7.003 13.331 ( 7.476 2.615 2.945) 8.450 13.825 ( -4.111 8.609 -1.999) 9.747 14.651 ( 0.813 -14.106 -19.137) 23.788 18.088 ( 7.940 -7.258 1.389) 10.847 18.748 ( -0.628 -19.425 -11.130) 22.396 19.465 ( 8.256 5.054 -4.012) 10.479 20.080 ( -8.776 -1.607 -8.490) 12.316 21.009 ( 24.241 11.429 5.502) 27.359 22.434 ( -13.519 -17.359 2.666) 22.163 23.797 ( 4.635 6.311 -3.567) 8.604 24.121 ( -20.456 6.866 -4.971) 22.143 ======================= Grid point 532 (263/432) ======================= q-point: (-0.18 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -2.588 2.377 16.283) 16.658 2.419 ( 2.127 8.931 19.644) 21.683 3.131 ( -2.923 -3.572 -4.249) 6.274 3.494 ( 0.445 -5.580 -6.784) 8.795 3.607 ( -1.352 -0.835 -0.364) 1.630 3.968 ( 3.247 3.896 -4.518) 6.792 4.169 ( 6.315 -0.878 5.335) 8.314 4.757 ( 2.357 8.276 -3.318) 9.223 5.504 ( -0.583 -0.002 8.336) 8.357 5.925 ( -8.583 0.700 14.178) 16.589 6.315 ( 2.519 -1.626 1.598) 3.398 6.585 ( -4.573 -2.505 3.928) 6.528 6.722 ( 6.227 -7.385 4.055) 10.476 6.734 ( -3.731 -11.949 26.512) 29.319 7.180 ( -6.541 -1.932 -0.715) 6.858 8.172 ( -9.154 -19.796 8.340) 23.351 9.128 ( -8.294 4.807 14.762) 17.602 9.516 ( -10.927 -7.769 9.407) 16.378 9.816 ( 7.729 11.430 9.146) 16.554 9.852 ( 2.583 -4.977 4.081) 6.935 10.521 ( 0.661 15.625 -0.655) 15.652 11.615 ( 10.919 22.172 -9.851) 26.605 11.684 ( 4.272 0.452 -15.704) 16.281 12.169 ( -12.608 -5.997 -7.531) 15.864 13.213 ( -0.202 6.215 9.052) 10.982 13.441 ( 8.608 3.899 1.559) 9.578 13.685 ( -2.850 6.486 -2.276) 7.441 14.540 ( -0.893 -11.943 -18.091) 21.696 18.208 ( 10.765 -2.855 -6.655) 12.974 18.691 ( -13.379 -14.294 -7.737) 21.052 19.568 ( 9.614 -1.887 -3.280) 10.332 19.860 ( -6.922 2.217 -6.964) 10.066 21.309 ( 20.450 6.460 9.200) 23.336 22.383 ( -13.402 -12.189 -3.262) 18.408 23.739 ( -13.029 7.316 -2.583) 15.164 23.801 ( 2.893 5.030 -3.978) 7.035 ======================= Grid point 533 (264/432) ======================= q-point: (-0.09 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.058 -0.853 16.454) 16.477 2.640 ( 6.509 5.554 18.215) 20.125 3.086 ( -0.167 -2.912 -4.780) 5.600 3.444 ( -0.894 -6.817 -9.374) 11.625 3.552 ( -0.661 1.236 -6.427) 6.578 3.915 ( 2.734 3.036 -6.943) 8.056 4.278 ( 2.551 2.672 3.116) 4.833 4.658 ( 3.306 12.218 -3.017) 13.012 5.619 ( -1.738 -1.794 11.537) 11.804 5.940 ( -11.171 0.715 11.998) 16.409 6.321 ( -3.524 -0.345 0.045) 3.541 6.502 ( -9.795 1.583 -0.904) 9.963 6.832 ( 1.541 -5.447 0.744) 5.709 6.999 ( -3.728 -2.065 9.174) 10.116 7.356 ( 1.771 -9.649 28.259) 29.913 8.308 ( -12.409 -23.594 6.680) 27.482 9.183 ( -3.253 2.925 12.877) 13.600 9.584 ( -7.551 -3.861 11.650) 14.410 9.754 ( -10.764 9.607 -2.202) 14.595 9.971 ( 10.976 9.986 9.983) 17.884 10.514 ( 6.484 -3.402 -1.749) 7.528 11.528 ( 11.847 18.216 -0.290) 21.732 11.558 ( 3.510 0.066 -15.369) 15.765 11.996 ( -3.955 -8.487 -11.423) 14.771 13.219 ( -1.856 12.451 6.494) 14.165 13.498 ( -0.259 -2.419 0.958) 2.615 13.632 ( 6.859 6.799 -1.975) 9.857 14.424 ( -1.185 -8.630 -14.112) 16.584 18.285 ( 9.326 -2.505 -7.422) 12.179 18.489 ( -11.274 -4.631 -11.292) 16.615 19.471 ( -12.490 2.326 -2.910) 13.034 19.839 ( 4.003 -1.042 -0.643) 4.187 21.624 ( 8.435 -5.832 9.953) 14.291 22.247 ( -1.062 1.147 -7.615) 7.773 23.492 ( -10.075 5.823 -0.655) 11.655 23.831 ( 7.869 1.247 -2.541) 8.363 ======================= Grid point 537 (265/432) ======================= q-point: ( 0.27 -0.73 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -2.600 -0.000 -7.295) 7.745 2.567 ( -10.658 -0.000 5.361) 11.930 3.069 ( 0.075 0.000 -6.070) 6.070 3.188 ( -7.100 -0.000 3.886) 8.093 3.591 ( -0.147 -0.000 -7.251) 7.252 3.841 ( -2.440 -0.000 11.546) 11.801 4.452 ( 4.839 0.000 5.037) 6.985 4.542 ( -1.641 -0.000 -2.651) 3.118 4.754 ( -22.153 -0.000 -3.295) 22.397 5.316 ( -2.005 -0.000 2.993) 3.602 5.794 ( -13.778 -0.000 6.156) 15.090 6.113 ( -7.179 -0.000 11.669) 13.701 6.765 ( -7.486 -0.000 -3.692) 8.347 6.830 ( -8.612 -0.000 -7.211) 11.232 7.722 ( 3.675 0.000 -8.453) 9.217 8.394 ( -21.215 -0.000 7.164) 22.392 8.882 ( -7.597 -0.000 18.085) 19.616 9.179 ( -8.590 -0.000 -10.806) 13.804 9.627 ( 4.638 0.000 -0.797) 4.706 9.662 ( -13.107 -0.000 12.587) 18.172 11.731 ( 8.621 0.000 6.594) 10.853 11.778 ( 17.073 0.000 -5.491) 17.935 12.207 ( 15.262 0.000 -14.344) 20.944 12.706 ( -0.248 -0.000 -0.327) 0.411 13.002 ( -6.775 -0.000 -8.588) 10.939 13.378 ( -9.816 -0.000 4.208) 10.680 13.786 ( 14.141 0.000 17.621) 22.593 14.199 ( 12.344 0.000 -14.520) 19.058 17.199 ( -8.872 -0.000 2.382) 9.186 18.991 ( 4.255 0.000 -8.861) 9.830 19.522 ( 9.681 0.000 13.302) 16.452 19.562 ( 12.949 0.000 3.952) 13.539 20.915 ( -1.412 -0.000 -17.467) 17.524 22.516 ( -13.615 -0.000 -2.411) 13.827 24.129 ( 7.109 0.000 12.681) 14.537 24.279 ( 1.986 0.000 2.644) 3.307 ======================= Grid point 539 (266/432) ======================= q-point: (-0.64 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -1.323 6.303 1.285) 6.568 2.563 ( -7.100 2.003 13.827) 15.672 3.028 ( 3.624 -3.261 -5.407) 7.280 3.168 ( -5.642 -6.157 2.836) 8.819 3.494 ( -5.595 -2.960 -4.320) 7.664 3.875 ( -9.003 2.821 9.490) 13.381 4.368 ( -11.767 5.415 -1.174) 13.007 4.527 ( -1.937 -9.074 -4.527) 10.324 4.702 ( 4.385 -2.353 9.523) 10.745 5.389 ( 3.355 -1.553 6.275) 7.283 5.706 ( -13.884 0.876 11.051) 17.767 6.163 ( -5.233 0.378 10.735) 11.948 6.543 ( -11.212 5.771 -4.790) 13.489 6.681 ( -10.030 -8.841 -7.074) 15.126 7.672 ( 2.569 -0.345 -7.556) 7.989 8.159 ( -17.240 2.669 -0.474) 17.452 8.999 ( -5.979 1.172 17.857) 18.868 9.036 ( -4.223 -8.297 -6.304) 11.243 9.608 ( -17.015 0.989 13.526) 21.758 9.728 ( 6.362 0.012 4.700) 7.910 11.758 ( 8.302 19.763 -2.861) 21.626 11.942 ( 9.947 -2.307 -3.891) 10.927 12.210 ( 14.374 5.869 -11.447) 19.290 12.727 ( -0.689 -7.226 -1.587) 7.430 12.875 ( -1.605 -2.061 -4.458) 5.166 13.283 ( -12.433 0.185 5.579) 13.629 14.090 ( 10.153 4.400 5.444) 12.332 14.242 ( 12.001 -10.932 -10.108) 19.124 17.175 ( -4.796 -1.292 8.774) 10.083 18.908 ( 6.708 -0.829 -18.332) 19.539 19.751 ( 3.865 2.666 10.704) 11.688 19.852 ( 23.784 -0.200 2.941) 23.966 20.696 ( -4.047 -0.548 -13.409) 14.017 22.332 ( -13.063 -3.663 -1.003) 13.604 24.200 ( 1.065 13.539 4.733) 14.382 24.415 ( -1.467 -11.781 6.656) 13.610 ======================= Grid point 540 (267/432) ======================= q-point: (-0.55 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -2.648 12.294 9.667) 15.862 2.584 ( -6.906 11.401 13.840) 19.215 3.105 ( 1.989 -9.209 -0.027) 9.421 3.217 ( -1.459 -9.198 2.815) 9.729 3.419 ( -3.989 -5.959 -3.136) 7.826 3.812 ( -10.681 -0.374 6.148) 12.329 4.241 ( -1.679 8.539 4.231) 9.677 4.541 ( -0.782 -11.569 -3.737) 12.183 4.931 ( 5.712 -3.898 12.498) 14.284 5.550 ( 4.635 -3.224 7.823) 9.648 5.688 ( -12.508 0.455 16.805) 20.954 6.206 ( -5.529 0.513 8.401) 10.071 6.327 ( -9.178 1.793 -1.762) 9.516 6.552 ( -8.789 -8.934 -5.698) 13.767 7.614 ( 1.195 0.080 -7.289) 7.387 7.941 ( -10.510 -1.978 -3.960) 11.404 9.026 ( -2.775 -9.743 -1.594) 10.255 9.117 ( -5.055 1.913 16.734) 17.585 9.525 ( -20.386 -0.801 14.680) 25.134 9.883 ( 7.620 2.152 6.957) 10.540 11.583 ( 5.573 29.035 -5.955) 30.159 11.951 ( 6.745 0.688 -12.347) 14.086 12.256 ( 12.420 7.688 -2.533) 14.825 12.733 ( -0.294 -3.256 -5.556) 6.446 12.891 ( 1.208 -5.726 0.721) 5.896 13.206 ( -9.241 -0.991 6.274) 11.214 14.131 ( 6.070 2.501 -6.977) 9.580 14.400 ( 5.792 -11.782 -4.510) 13.882 17.314 ( 1.156 -5.273 14.716) 15.675 18.760 ( 7.069 -2.784 -24.955) 26.086 19.804 ( -1.744 7.384 3.571) 8.385 20.158 ( 19.311 0.126 -6.505) 20.377 20.586 ( 4.463 -2.484 -1.234) 5.254 22.228 ( -10.857 -6.349 2.583) 12.839 24.120 ( -0.764 12.453 0.973) 12.515 24.504 ( -8.485 -9.028 3.830) 12.968 ======================= Grid point 541 (268/432) ======================= q-point: (-0.45 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -5.623 11.555 12.548) 17.961 2.538 ( -5.544 14.609 12.684) 20.125 3.157 ( -4.904 -6.751 0.478) 8.358 3.330 ( 0.693 -7.078 3.818) 8.072 3.430 ( 1.120 -8.977 -3.098) 9.562 3.803 ( -2.811 -1.301 7.707) 8.307 4.216 ( 0.643 10.677 4.105) 11.456 4.636 ( 4.873 -11.264 -1.735) 12.395 5.185 ( 3.632 -5.983 12.764) 14.557 5.709 ( 1.914 -1.338 7.864) 8.203 5.773 ( -10.283 -4.642 21.338) 24.137 6.211 ( -4.559 -2.494 6.595) 8.397 6.270 ( -4.522 -2.469 4.514) 6.850 6.497 ( -3.046 -5.906 -1.056) 6.729 7.524 ( -1.483 1.473 -7.197) 7.495 7.834 ( -5.380 -8.835 -5.267) 11.608 9.084 ( -2.421 -5.155 6.595) 8.714 9.226 ( -3.885 -0.890 13.623) 14.194 9.440 ( -21.599 -3.749 14.890) 26.500 10.030 ( 7.947 6.397 6.306) 11.993 11.317 ( 3.715 30.092 -6.152) 30.939 11.869 ( 6.569 0.274 -15.092) 16.461 12.296 ( 9.312 11.893 -2.170) 15.260 12.611 ( -5.582 3.286 -9.249) 11.292 12.987 ( 0.195 -6.431 4.572) 7.893 13.238 ( 1.105 -1.474 6.812) 7.057 14.073 ( 0.843 3.679 -6.096) 7.169 14.456 ( 0.428 -12.631 -10.082) 16.167 17.615 ( 5.829 -9.454 17.018) 20.322 18.584 ( 6.083 -7.071 -25.947) 27.573 19.695 ( -2.270 9.617 -3.421) 10.457 20.149 ( -3.113 -4.982 -9.443) 11.121 20.849 ( 26.496 4.039 4.426) 27.165 22.201 ( -9.861 -8.392 4.455) 13.694 24.009 ( -0.959 9.882 -1.459) 10.035 24.425 ( -14.858 -4.249 -0.719) 15.470 ======================= Grid point 542 (269/432) ======================= q-point: (-0.36 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -5.201 7.367 12.287) 15.241 2.515 ( -3.575 13.189 14.627) 20.017 3.121 ( -5.729 -4.738 -1.779) 7.644 3.412 ( -0.249 -5.236 -0.066) 5.242 3.500 ( 3.690 -7.903 -3.490) 9.394 3.932 ( 1.558 -1.706 11.111) 11.348 4.164 ( 2.420 9.919 0.135) 10.210 4.773 ( 7.443 -4.449 -1.327) 8.772 5.391 ( 0.804 -3.949 9.633) 10.442 5.824 ( -1.204 -1.502 10.262) 10.441 6.000 ( -4.855 -10.966 22.842) 25.799 6.291 ( -1.839 -3.465 9.510) 10.288 6.356 ( -1.679 -7.317 10.129) 12.608 6.528 ( 0.845 -2.949 1.671) 3.493 7.371 ( -6.272 1.632 -8.610) 10.777 7.820 ( -2.911 -12.050 -3.039) 12.764 9.173 ( -7.840 2.371 16.058) 18.026 9.371 ( -11.362 -6.807 13.447) 18.875 9.392 ( -4.952 -8.315 9.565) 13.607 10.114 ( 7.939 13.701 4.965) 16.595 11.060 ( 1.794 24.835 -4.092) 25.234 11.780 ( 7.237 -0.260 -15.634) 17.230 12.215 ( 8.915 20.022 -11.240) 24.631 12.355 ( -13.598 0.838 -6.919) 15.280 13.098 ( -0.851 -5.833 6.312) 8.637 13.391 ( 9.406 2.922 7.342) 12.285 13.955 ( -4.198 6.105 -3.024) 8.002 14.406 ( -2.041 -14.103 -15.322) 20.924 17.956 ( 7.842 -8.039 10.713) 15.521 18.470 ( 2.171 -13.251 -16.764) 21.479 19.560 ( 3.244 6.214 -7.151) 10.014 20.017 ( -8.446 -5.331 -7.406) 12.433 21.197 ( 27.389 10.228 3.765) 29.478 22.199 ( -9.549 -10.662 2.871) 14.598 23.907 ( 0.081 6.606 -2.965) 7.241 24.189 ( -18.137 1.552 -3.647) 18.565 ======================= Grid point 543 (270/432) ======================= q-point: (-0.27 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -1.844 4.229 12.683) 13.496 2.575 ( 0.392 9.453 15.977) 18.568 3.070 ( -3.224 -3.458 -2.353) 5.281 3.405 ( -2.160 -5.332 -5.608) 8.034 3.558 ( 4.488 -4.589 -5.613) 8.527 3.993 ( -4.767 -0.827 0.536) 4.868 4.223 ( 10.635 6.442 6.870) 14.206 4.854 ( 6.735 3.182 -2.132) 7.748 5.507 ( -1.035 0.056 9.423) 9.479 5.921 ( -5.497 -2.065 10.033) 11.625 6.258 ( -0.623 -5.608 9.524) 11.069 6.513 ( -4.134 -7.863 18.619) 20.630 6.522 ( -1.214 -9.658 15.591) 18.381 6.615 ( 6.218 -4.276 3.601) 8.362 7.162 ( -9.886 -0.279 -5.353) 11.245 7.879 ( -2.705 -14.455 -0.682) 14.722 9.197 ( -12.143 3.416 16.224) 20.551 9.385 ( -13.428 -7.279 13.952) 20.688 9.637 ( 5.466 -11.017 7.945) 14.642 10.144 ( 9.078 18.426 6.209) 21.459 10.836 ( -2.411 19.768 -3.086) 20.152 11.690 ( 6.038 0.275 -15.776) 16.894 11.976 ( 10.227 19.790 -15.286) 27.017 12.111 ( -14.082 -0.009 -6.338) 15.442 13.206 ( -1.092 -5.178 6.475) 8.363 13.563 ( 9.324 8.642 6.864) 14.448 13.806 ( -4.649 7.186 -1.280) 8.654 14.309 ( -1.986 -14.951 -16.810) 22.584 18.158 ( 10.582 -2.968 -3.469) 11.525 18.458 ( -7.285 -13.074 -1.693) 15.062 19.534 ( 7.320 -2.064 -7.944) 10.997 19.859 ( -6.354 -1.903 -6.717) 9.440 21.453 ( 15.249 10.273 6.573) 19.526 22.202 ( -2.592 -9.364 -2.457) 10.022 23.822 ( -5.351 3.502 -3.543) 7.311 23.901 ( -9.263 5.586 -3.149) 11.266 ======================= Grid point 544 (271/432) ======================= q-point: (-0.18 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -0.434 1.568 13.654) 13.750 2.734 ( 6.146 5.414 14.320) 16.497 3.043 ( -0.815 -1.849 -1.860) 2.746 3.335 ( -2.714 -5.924 -8.056) 10.361 3.555 ( 4.505 -0.938 -8.907) 10.025 3.931 ( -2.842 -1.473 -3.480) 4.728 4.365 ( 6.663 6.682 4.947) 10.655 4.844 ( 5.370 9.418 -2.918) 11.227 5.602 ( -3.054 -0.135 11.281) 11.688 5.942 ( -9.410 -0.956 8.613) 12.792 6.314 ( -3.649 -0.594 2.577) 4.506 6.522 ( -9.806 0.620 1.873) 10.002 6.731 ( 2.951 -6.791 2.640) 7.861 6.922 ( -1.906 -6.964 13.314) 15.145 7.170 ( 0.941 -11.392 21.580) 24.421 7.953 ( -5.283 -17.288 -1.055) 18.108 9.217 ( -8.326 0.922 14.362) 16.626 9.469 ( -9.165 -7.664 15.057) 19.221 9.803 ( -3.231 -2.923 2.923) 5.246 10.206 ( 8.872 15.785 8.073) 19.825 10.610 ( -0.704 13.501 -2.901) 13.827 11.557 ( 0.060 0.042 -14.997) 14.997 11.828 ( 0.911 13.912 -7.668) 15.912 11.898 ( 8.027 0.627 -10.718) 13.406 13.306 ( -1.661 -4.332 6.761) 8.200 13.532 ( -7.611 8.040 0.577) 11.086 13.781 ( 9.418 10.294 0.888) 13.980 14.240 ( 0.726 -13.027 -13.019) 18.432 18.239 ( 5.716 -2.663 -6.028) 8.723 18.414 ( -5.270 -4.155 -2.668) 7.222 19.477 ( -6.698 -1.933 -7.333) 10.118 19.815 ( 4.948 -1.704 -2.413) 5.763 21.550 ( -6.272 -2.279 5.545) 8.676 22.271 ( 15.665 1.683 -4.146) 16.292 23.590 ( -11.944 5.411 -2.064) 13.274 23.856 ( 4.442 1.561 -1.810) 5.044 ======================= Grid point 545 (272/432) ======================= q-point: (-0.09 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -1.437 -2.794 12.826) 13.205 2.951 ( 8.126 2.956 11.735) 14.577 3.033 ( 1.764 -0.547 -2.242) 2.905 3.270 ( -1.496 -6.634 -6.759) 9.588 3.488 ( 3.137 2.740 -9.766) 10.617 3.856 ( -1.590 0.091 -5.918) 6.128 4.372 ( 2.570 9.308 -1.662) 9.798 4.811 ( 6.288 11.472 0.179) 13.084 5.659 ( -9.834 -1.819 9.676) 13.916 5.899 ( -11.128 -0.641 5.893) 12.608 6.248 ( -7.000 0.773 -1.493) 7.199 6.367 ( -14.013 1.376 3.096) 14.417 6.815 ( 1.664 -3.501 0.038) 3.876 7.023 ( -1.789 -3.635 5.858) 7.122 7.667 ( 3.630 -11.691 32.273) 34.516 8.002 ( -6.989 -19.569 -3.666) 21.100 9.293 ( -6.938 -0.022 14.223) 15.825 9.598 ( -11.068 6.222 8.036) 15.026 9.613 ( -9.886 -1.835 0.371) 10.061 10.298 ( 8.610 6.363 5.337) 11.963 10.609 ( 9.101 5.038 2.283) 10.650 11.283 ( -12.693 -3.623 -15.642) 20.467 11.783 ( 13.787 3.127 -5.401) 15.134 11.967 ( 17.103 4.784 -2.949) 18.003 13.331 ( -4.001 11.508 1.280) 12.251 13.419 ( -6.876 -8.868 4.824) 12.215 13.775 ( 4.246 8.705 -4.113) 10.523 14.251 ( 6.402 -4.917 -7.147) 10.782 18.117 ( -10.449 -0.441 -10.404) 14.752 18.437 ( 10.286 0.262 -2.236) 10.530 19.315 ( -7.684 1.284 -2.091) 8.067 19.836 ( -4.255 0.759 1.203) 4.486 21.489 ( -10.250 -12.488 -6.060) 17.255 22.488 ( 22.854 8.924 4.766) 24.993 23.409 ( -6.484 3.612 -1.979) 7.682 23.911 ( 5.958 -0.242 0.260) 5.969 ======================= Grid point 550 (273/432) ======================= q-point: ( 0.36 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -2.558 -0.000 7.819) 8.227 2.713 ( -1.395 -0.000 16.899) 16.957 3.014 ( 3.721 0.000 -1.584) 4.044 3.100 ( -4.740 -0.000 2.106) 5.187 3.368 ( -4.034 -0.000 -3.499) 5.340 3.815 ( -11.261 -0.000 6.769) 13.139 4.336 ( -4.494 -0.000 6.612) 7.995 4.417 ( 1.962 0.000 -5.186) 5.545 4.898 ( 5.436 0.000 12.416) 13.554 5.517 ( 3.768 0.000 7.612) 8.494 5.697 ( -13.367 -0.000 17.955) 22.385 6.209 ( -5.841 -0.000 8.159) 10.034 6.365 ( -15.511 -0.000 -0.199) 15.512 6.452 ( -2.836 -0.000 -7.444) 7.967 7.617 ( 3.190 0.000 -7.739) 8.371 7.925 ( -13.674 -0.000 -5.924) 14.902 8.935 ( -0.200 -0.000 -0.622) 0.653 9.133 ( -6.549 -0.000 17.568) 18.749 9.526 ( -20.828 -0.000 14.773) 25.535 9.900 ( 8.245 0.000 7.522) 11.160 11.888 ( 5.657 0.000 -7.856) 9.681 11.947 ( 6.941 0.000 -11.076) 13.072 12.316 ( 14.877 0.000 -6.326) 16.167 12.633 ( -7.281 -0.000 0.464) 7.296 12.885 ( 8.746 0.000 -1.333) 8.847 13.191 ( -12.052 -0.000 6.372) 13.633 14.148 ( 10.732 0.000 -16.446) 19.638 14.297 ( 1.748 0.000 5.975) 6.226 17.270 ( 0.515 0.000 13.774) 13.783 18.735 ( 6.510 0.000 -25.714) 26.525 19.874 ( -2.299 -0.000 6.320) 6.725 20.157 ( 17.539 0.000 -7.901) 19.237 20.559 ( 7.576 0.000 -2.751) 8.060 22.176 ( -10.191 -0.000 2.922) 10.602 24.298 ( -3.018 -0.000 -0.879) 3.143 24.356 ( -6.905 -0.000 6.532) 9.505 ======================= Grid point 552 (274/432) ======================= q-point: (-0.55 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -7.463 5.146 8.751) 12.600 2.794 ( -0.667 14.292 9.301) 17.065 3.059 ( -2.820 -3.679 1.979) 5.041 3.138 ( -3.251 -13.421 4.103) 14.406 3.334 ( 3.454 -2.464 -2.810) 5.088 3.822 ( -2.424 1.821 10.821) 11.237 4.353 ( -1.015 4.651 4.417) 6.494 4.470 ( 7.680 -6.491 -1.142) 10.120 5.112 ( 2.780 -2.357 13.540) 14.022 5.626 ( -5.337 -3.698 10.030) 11.949 5.785 ( -7.289 1.506 20.864) 22.152 6.184 ( -6.007 -0.288 3.712) 7.067 6.233 ( -8.112 -1.997 4.771) 9.621 6.429 ( 1.923 -1.999 0.608) 2.840 7.567 ( 2.982 3.090 -7.920) 9.009 7.707 ( -8.343 -5.614 -8.394) 13.099 8.994 ( 2.761 -3.248 5.010) 6.578 9.230 ( -8.618 0.006 16.132) 18.289 9.422 ( -22.366 0.262 16.395) 27.733 10.096 ( 8.614 1.825 8.119) 11.977 11.749 ( 4.690 17.717 -12.496) 22.182 11.873 ( 5.885 -0.011 -15.020) 16.132 12.416 ( 4.496 4.664 0.678) 6.514 12.564 ( -3.872 -9.061 -5.711) 11.389 13.000 ( 6.851 7.755 3.393) 10.889 13.168 ( -1.722 -6.654 6.050) 9.156 14.088 ( 7.032 -0.904 -14.470) 16.113 14.323 ( -5.992 -3.238 0.804) 6.858 17.505 ( 5.444 -3.394 17.168) 18.327 18.503 ( 4.972 -2.469 -27.561) 28.114 19.839 ( -4.110 6.458 -0.352) 7.663 20.062 ( -5.265 -4.595 -13.067) 14.818 20.888 ( 32.038 0.951 3.710) 32.266 22.115 ( -8.750 -2.296 4.755) 10.220 24.167 ( -5.302 8.366 -1.662) 10.043 24.329 ( -11.570 -6.537 1.108) 13.335 ======================= Grid point 553 (275/432) ======================= q-point: (-0.45 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -5.997 5.755 8.691) 12.026 2.748 ( -1.868 14.331 8.855) 16.949 3.046 ( -4.963 -3.857 -0.249) 6.291 3.254 ( -0.333 -12.998 -0.550) 13.014 3.405 ( 5.614 -2.969 -1.410) 6.505 3.933 ( -2.977 1.012 13.802) 14.155 4.316 ( 2.397 7.482 -1.360) 7.973 4.673 ( 13.076 -6.401 0.296) 14.561 5.320 ( 0.500 -3.868 13.752) 14.295 5.708 ( -6.174 -8.932 9.282) 14.285 5.943 ( -6.765 1.806 25.122) 26.079 6.220 ( -1.519 -4.205 6.925) 8.243 6.279 ( -0.802 -2.678 9.175) 9.591 6.497 ( 1.742 -0.996 3.614) 4.134 7.404 ( -7.374 2.195 -9.265) 12.043 7.655 ( 3.430 -7.382 -7.522) 11.083 9.162 ( 3.634 -2.553 10.846) 11.720 9.284 ( -15.481 -3.425 16.875) 23.155 9.337 ( -15.296 0.291 14.736) 21.242 10.272 ( 9.009 5.534 7.475) 12.948 11.469 ( 1.991 21.912 -13.024) 25.569 11.777 ( 6.877 -0.192 -15.642) 17.088 12.330 ( -12.226 -0.123 -1.635) 12.335 12.505 ( 7.226 8.003 -12.791) 16.729 13.028 ( -3.565 0.320 8.196) 8.944 13.388 ( 13.958 -3.871 5.415) 15.464 14.010 ( 1.219 0.247 -8.768) 8.855 14.227 ( -9.944 -5.955 -5.185) 12.698 17.837 ( 7.845 -5.589 16.678) 19.260 18.308 ( 4.180 -6.146 -20.994) 22.271 19.670 ( -2.253 6.797 -9.435) 11.845 19.915 ( -7.333 -6.632 -6.587) 11.881 21.334 ( 33.486 5.718 2.230) 34.044 22.072 ( -9.434 -4.751 2.772) 10.920 24.011 ( -5.035 5.542 -3.102) 8.105 24.184 ( -14.682 -1.714 -1.846) 14.897 ======================= Grid point 554 (276/432) ======================= q-point: (-0.36 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.441 5.431 9.222) 10.712 2.733 ( -2.164 9.323 10.846) 14.465 3.019 ( -1.854 -2.544 -0.442) 3.179 3.304 ( -1.988 -6.962 -3.520) 8.050 3.480 ( 7.562 -3.900 -5.316) 10.033 3.960 ( -11.853 -2.651 5.402) 13.293 4.343 ( 11.386 6.978 2.038) 13.509 4.870 ( 11.940 -0.895 -0.797) 12.000 5.493 ( -1.140 -1.877 12.288) 12.483 5.821 ( -3.520 -9.594 6.029) 11.866 6.168 ( -6.659 -2.919 24.960) 25.997 6.360 ( 1.664 -7.224 9.962) 12.417 6.443 ( 0.003 -2.644 14.691) 14.927 6.571 ( 2.030 -1.598 4.439) 5.136 7.163 ( -11.493 0.238 -8.072) 14.046 7.699 ( 5.600 -7.087 -6.464) 11.107 9.237 ( -19.802 0.123 18.402) 27.032 9.292 ( -11.444 -2.360 15.863) 19.702 9.485 ( 6.323 -7.090 10.225) 13.957 10.401 ( 8.894 11.280 6.433) 15.739 11.161 ( -1.534 18.439 -10.838) 21.443 11.692 ( 6.977 -0.219 -15.483) 16.984 12.091 ( -13.580 1.812 -7.270) 15.510 12.331 ( 7.775 16.844 -13.948) 23.211 13.098 ( -3.946 -6.147 7.057) 10.157 13.661 ( 13.777 1.152 5.700) 14.955 13.908 ( -4.793 4.793 0.014) 6.778 14.077 ( -6.724 -10.779 -12.276) 17.666 18.114 ( 9.912 -2.089 1.617) 10.258 18.267 ( -0.501 -9.340 -0.037) 9.354 19.504 ( 0.256 -1.352 -11.842) 11.921 19.815 ( -3.108 -2.814 -5.387) 6.827 21.635 ( 13.167 10.802 3.031) 17.298 22.064 ( 5.239 -7.426 -2.452) 9.413 23.868 ( -7.560 2.087 -3.725) 8.683 23.974 ( -10.252 3.139 -1.992) 10.905 ======================= Grid point 555 (277/432) ======================= q-point: (-0.27 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 1.091 4.966 9.839) 11.075 2.808 ( 3.326 2.987 10.409) 11.328 3.031 ( 0.320 0.082 1.588) 1.621 3.255 ( -2.128 -3.262 -6.369) 7.466 3.528 ( 7.699 -1.994 -8.586) 11.703 3.868 ( -9.790 -5.616 -0.182) 11.287 4.472 ( 9.398 5.501 2.966) 11.287 4.966 ( 8.673 5.098 -2.580) 10.386 5.607 ( -3.374 0.295 11.638) 12.121 5.885 ( -6.980 -6.370 4.680) 10.546 6.299 ( -5.946 -0.941 9.659) 11.381 6.525 ( -8.874 -0.328 6.534) 11.025 6.595 ( 4.359 -8.806 6.345) 11.696 6.795 ( 1.600 -6.991 12.551) 14.455 7.015 ( -4.267 -6.305 10.900) 13.295 7.750 ( 4.003 -7.236 -6.568) 10.560 9.210 ( -16.335 -1.914 17.071) 23.705 9.357 ( -11.557 -4.927 16.594) 20.813 9.731 ( 4.543 -4.375 8.684) 10.732 10.459 ( 6.331 13.659 4.476) 15.706 10.869 ( -4.248 14.800 -8.465) 17.571 11.568 ( -1.391 1.574 -13.389) 13.552 11.861 ( -1.805 1.833 -9.203) 9.556 12.148 ( 11.282 16.881 -12.064) 23.618 13.177 ( -4.978 -9.072 5.318) 11.635 13.663 ( -11.219 6.144 1.976) 12.943 13.940 ( 1.945 2.931 -3.815) 5.189 14.015 ( 10.937 -8.181 -3.400) 14.075 18.203 ( 5.028 -1.460 -3.093) 6.081 18.351 ( -1.272 -3.311 3.269) 4.824 19.413 ( -1.822 -5.082 -8.690) 10.230 19.784 ( 5.000 -1.832 -4.472) 6.954 21.549 ( -14.441 1.749 -0.630) 14.560 22.300 ( 26.902 1.675 -2.411) 27.062 23.667 ( -12.037 3.758 -2.145) 12.791 23.880 ( -0.252 1.183 -0.945) 1.535 ======================= Grid point 556 (278/432) ======================= q-point: (-0.18 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -4.422 0.302 10.660) 11.545 2.990 ( 9.237 1.247 7.677) 12.075 3.048 ( 0.095 1.829 2.348) 2.978 3.184 ( 0.169 -2.604 -6.589) 7.087 3.514 ( 6.605 0.396 -10.701) 12.582 3.812 ( -5.423 -5.264 -0.934) 7.615 4.524 ( 5.387 7.755 -1.603) 9.578 4.976 ( 6.552 7.967 -1.808) 10.472 5.656 ( -8.845 1.124 9.741) 13.206 5.863 ( -9.989 -3.988 4.047) 11.492 6.270 ( -6.976 1.554 -0.237) 7.150 6.389 ( -15.183 1.509 3.162) 15.582 6.754 ( 4.374 -4.088 0.681) 6.026 6.891 ( -5.947 -11.514 8.401) 15.444 7.456 ( 8.236 -12.566 28.422) 32.149 7.767 ( 2.213 -7.854 -7.930) 11.379 9.246 ( -11.391 -4.546 15.412) 19.696 9.455 ( -10.492 -8.035 14.594) 19.688 9.797 ( -7.227 7.927 4.631) 11.684 10.433 ( 2.339 9.336 -0.103) 9.625 10.689 ( 2.897 3.797 -4.373) 6.476 11.304 ( -11.800 6.851 -9.142) 16.424 11.818 ( 13.217 1.850 -10.039) 16.700 12.111 ( 16.546 10.947 -4.691) 20.386 13.241 ( -7.980 -11.636 5.011) 14.973 13.490 ( -8.054 7.116 1.562) 10.860 13.845 ( -2.993 -2.737 -8.175) 9.126 14.228 ( 16.232 3.835 1.600) 16.756 18.126 ( -9.181 1.432 -6.588) 11.391 18.432 ( 9.212 -0.901 0.495) 9.270 19.329 ( -2.069 0.367 -3.964) 4.486 19.834 ( 1.843 -1.204 -0.546) 2.268 21.320 ( -14.718 -7.154 -7.210) 17.882 22.617 ( 27.190 6.195 1.462) 27.925 23.477 ( -8.697 4.521 -1.211) 9.876 23.901 ( 2.807 -1.046 1.539) 3.368 ======================= Grid point 557 (279/432) ======================= q-point: (-0.09 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -10.117 -4.570 9.811) 14.816 3.031 ( -2.252 1.196 0.163) 2.555 3.139 ( 1.609 -2.424 -0.106) 2.911 3.215 ( 10.573 -0.046 0.260) 10.577 3.454 ( 3.514 2.768 -7.812) 9.002 3.781 ( -0.192 -0.269 -2.255) 2.279 4.465 ( 5.223 10.340 -5.311) 12.744 4.976 ( 4.624 7.489 -0.170) 8.803 5.555 ( -17.340 1.656 4.782) 18.063 5.789 ( -11.519 -1.063 2.487) 11.832 6.122 ( -9.881 0.380 -0.829) 9.923 6.238 ( -14.477 0.715 4.454) 15.163 6.813 ( 1.622 -1.971 -1.005) 2.743 7.019 ( -2.625 -8.698 7.034) 11.490 7.758 ( 2.008 -9.797 -9.393) 13.720 7.970 ( 4.470 -10.838 25.464) 28.033 9.309 ( -15.279 -2.510 14.064) 20.917 9.488 ( -7.085 1.330 0.291) 7.215 9.605 ( -11.433 5.709 9.012) 15.637 10.388 ( -2.665 3.642 -4.632) 6.467 10.732 ( 4.489 -13.160 -4.790) 14.706 11.057 ( -0.572 12.169 1.751) 12.307 11.884 ( 16.266 0.408 -11.744) 20.067 12.286 ( 19.668 5.094 4.861) 20.890 13.259 ( -9.514 -7.158 3.002) 12.279 13.401 ( -3.321 3.656 4.284) 6.538 13.725 ( -4.316 -0.145 -6.556) 7.850 14.385 ( 15.249 8.314 -1.433) 17.428 17.845 ( -11.580 1.763 -13.572) 17.928 18.595 ( 9.680 0.872 5.979) 11.411 19.278 ( 2.004 4.224 -1.320) 4.858 19.778 ( -11.007 3.864 2.804) 11.998 21.163 ( -4.085 -13.335 -13.427) 19.360 22.927 ( 20.439 7.821 7.522) 23.141 23.334 ( -4.038 2.338 -3.710) 5.961 24.000 ( 4.806 -1.273 4.962) 7.024 ======================= Grid point 563 (280/432) ======================= q-point: ( 0.45 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -6.055 -0.000 7.039) 9.285 2.955 ( -1.378 -0.000 2.548) 2.897 3.002 ( -3.212 -0.000 0.440) 3.242 3.063 ( -0.568 -0.000 4.254) 4.292 3.381 ( 5.491 0.000 -0.384) 5.504 3.945 ( -6.388 -0.000 14.062) 15.445 4.388 ( 4.266 0.000 -3.413) 5.463 4.606 ( 14.715 0.000 2.355) 14.902 5.283 ( -0.082 -0.000 15.067) 15.067 5.626 ( -8.814 -0.000 10.879) 14.002 5.968 ( -6.165 -0.000 23.756) 24.542 6.180 ( -1.738 -0.000 5.569) 5.834 6.255 ( -0.314 -0.000 9.651) 9.656 6.489 ( 2.022 0.000 4.184) 4.647 7.429 ( -10.839 -0.000 -10.019) 14.760 7.587 ( 9.247 0.000 -8.655) 12.665 9.136 ( 6.947 0.000 10.022) 12.194 9.254 ( -19.057 -0.000 18.942) 26.870 9.346 ( -16.341 -0.000 14.706) 21.985 10.316 ( 9.360 0.000 8.165) 12.421 11.689 ( 3.384 0.000 -20.064) 20.347 11.769 ( 5.538 0.000 -14.940) 15.933 12.327 ( -12.881 -0.000 -1.955) 13.029 12.533 ( 6.042 0.000 -3.424) 6.945 13.087 ( -8.222 -0.000 7.066) 10.841 13.313 ( 20.967 0.000 0.621) 20.976 14.000 ( 4.829 0.000 -11.958) 12.896 14.189 ( -14.536 -0.000 1.368) 14.600 17.787 ( 7.942 0.000 18.160) 19.820 18.257 ( 4.820 0.000 -22.043) 22.564 19.766 ( -8.747 -0.000 -14.848) 17.233 19.820 ( -2.525 -0.000 -1.729) 3.060 21.382 ( 36.846 0.000 1.557) 36.879 22.033 ( -10.410 -0.000 2.813) 10.784 24.071 ( -8.821 -0.000 -4.484) 9.895 24.157 ( -11.522 -0.000 0.165) 11.523 ======================= Grid point 565 (281/432) ======================= q-point: (-0.45 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 2.157 2.747 7.485) 8.260 2.875 ( -5.669 6.432 3.145) 9.132 2.988 ( -0.212 -1.109 0.411) 1.202 3.185 ( 2.613 -5.837 2.463) 6.853 3.437 ( 6.978 -1.215 -4.154) 8.211 3.921 ( -16.528 -1.508 6.968) 18.000 4.436 ( 11.273 3.363 -2.454) 12.017 4.844 ( 15.043 -1.449 1.481) 15.185 5.456 ( -1.464 -1.692 14.816) 14.984 5.676 ( -4.670 -5.408 8.366) 11.002 6.160 ( -7.591 0.801 24.876) 26.020 6.273 ( 0.960 -2.991 8.394) 8.963 6.417 ( 3.922 -0.643 13.487) 14.060 6.554 ( -0.464 -0.459 4.835) 4.879 7.166 ( -11.973 0.100 -9.203) 15.101 7.628 ( 11.261 -1.833 -9.264) 14.697 9.203 ( -25.783 -1.692 22.996) 34.590 9.311 ( -9.806 2.230 12.725) 16.219 9.395 ( 7.002 -3.642 12.121) 14.465 10.519 ( 9.372 3.252 7.434) 12.397 11.409 ( -1.718 9.164 -20.755) 22.753 11.680 ( 6.235 -0.968 -14.423) 15.743 12.135 ( -10.623 2.598 -3.572) 11.504 12.508 ( 4.839 3.552 -11.013) 12.543 13.055 ( -6.667 1.185 6.418) 9.330 13.589 ( 17.964 -6.289 -4.551) 19.569 13.965 ( -0.442 1.909 0.588) 2.045 13.988 ( -13.834 -1.288 -0.858) 13.921 18.092 ( 7.685 -0.492 11.914) 14.186 18.155 ( 5.503 -3.664 -6.926) 9.574 19.490 ( -6.082 -0.383 -13.929) 15.203 19.779 ( 0.466 -1.261 -4.631) 4.822 21.803 ( 13.283 9.118 0.066) 16.112 21.941 ( 8.759 -7.463 -1.870) 11.658 23.891 ( -9.917 0.677 -3.858) 10.663 24.008 ( -9.647 0.992 -1.015) 9.751 ======================= Grid point 566 (282/432) ======================= q-point: (-0.36 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 4.748 6.725 6.882) 10.730 2.830 ( -2.025 -0.203 6.294) 6.615 3.021 ( 0.912 -1.689 1.223) 2.276 3.239 ( 2.870 1.074 -1.873) 3.592 3.499 ( 8.728 -1.167 -5.792) 10.539 3.765 ( -15.979 -5.748 0.878) 17.004 4.542 ( 9.695 2.817 0.208) 10.098 5.018 ( 11.385 1.379 -1.664) 11.588 5.601 ( -2.808 -1.042 12.397) 12.754 5.751 ( -5.215 -7.776 4.624) 10.443 6.294 ( -8.220 0.255 15.193) 17.276 6.436 ( 0.659 -6.543 9.741) 11.753 6.556 ( -2.903 1.708 5.285) 6.267 6.700 ( 2.866 -4.505 11.125) 12.340 6.954 ( -7.154 -1.538 2.835) 7.848 7.683 ( 10.962 -1.675 -9.344) 14.501 9.161 ( -24.165 -3.051 22.641) 33.255 9.312 ( -12.132 -1.049 14.299) 18.782 9.673 ( 8.101 -2.437 12.125) 14.784 10.641 ( 4.697 7.504 3.552) 9.539 11.057 ( -6.176 7.091 -18.274) 20.551 11.608 ( 5.432 2.552 -10.792) 12.348 11.935 ( -4.103 6.497 -5.507) 9.454 12.379 ( 8.368 9.065 -14.435) 18.988 13.046 ( -7.785 -5.049 4.977) 10.530 13.712 ( -0.212 -5.149 -4.738) 7.001 13.765 ( -12.299 -5.185 -4.082) 13.957 14.103 ( 13.215 5.766 8.157) 16.566 18.189 ( 7.286 -0.289 -0.366) 7.301 18.305 ( -0.415 -2.083 6.784) 7.109 19.332 ( 0.312 -3.956 -9.039) 9.872 19.758 ( 4.835 -1.202 -5.916) 7.735 21.588 ( -17.393 2.246 -6.072) 18.559 22.324 ( 33.250 1.053 -1.869) 33.319 23.715 ( -10.765 1.979 -1.237) 11.015 23.894 ( -4.861 0.468 -0.436) 4.902 ======================= Grid point 567 (283/432) ======================= q-point: (-0.27 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -8.079 3.326 8.021) 11.860 2.995 ( 10.278 -0.574 6.403) 12.123 3.047 ( -0.329 -1.621 1.254) 2.075 3.217 ( 3.525 5.479 -4.391) 7.857 3.507 ( 5.592 -1.100 -9.898) 11.421 3.697 ( -6.156 -7.433 3.117) 10.142 4.617 ( 6.531 3.437 -1.778) 7.591 5.078 ( 6.872 4.233 -3.785) 8.915 5.675 ( -6.525 0.605 9.117) 11.228 5.766 ( -8.483 -6.940 3.779) 11.594 6.292 ( -8.346 1.136 3.776) 9.230 6.427 ( -14.397 2.912 2.374) 14.879 6.652 ( 3.300 -8.770 5.342) 10.786 6.718 ( -5.691 -6.332 2.729) 8.940 7.274 ( 11.199 -8.476 23.749) 27.591 7.712 ( 8.981 -0.150 -9.604) 13.149 9.158 ( -19.550 -5.335 20.067) 28.520 9.350 ( -12.737 -4.452 15.910) 20.861 9.881 ( 2.081 2.879 10.013) 10.625 10.582 ( -1.814 7.757 -4.187) 9.000 10.729 ( -7.947 1.128 -14.957) 16.975 11.495 ( -1.158 14.106 -1.963) 14.289 11.855 ( 10.597 2.616 -8.938) 14.107 12.294 ( 13.507 9.600 -9.257) 18.981 13.047 ( -10.280 -10.540 4.338) 15.349 13.576 ( -11.188 3.191 3.763) 12.228 13.716 ( -1.435 -10.203 -9.377) 13.932 14.337 ( 16.343 6.986 6.513) 18.930 18.162 ( -8.943 2.629 -5.236) 10.691 18.408 ( 8.703 -1.828 4.044) 9.770 19.331 ( 4.354 -0.016 -1.893) 4.747 19.797 ( 6.288 -2.776 -3.482) 7.705 21.247 ( -17.952 -2.001 -10.947) 21.121 22.694 ( 30.164 3.092 -2.575) 30.431 23.560 ( -8.993 5.155 1.937) 10.545 23.873 ( -0.912 -2.267 2.307) 3.361 ======================= Grid point 568 (284/432) ======================= q-point: (-0.18 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -13.532 -2.057 9.992) 16.947 3.009 ( -9.267 -3.645 1.518) 10.073 3.165 ( 4.076 4.573 -3.460) 7.036 3.229 ( 14.114 2.048 2.660) 14.508 3.469 ( 5.431 -0.846 -10.513) 11.863 3.754 ( 0.772 -2.430 4.113) 4.839 4.608 ( 5.104 6.105 -5.382) 9.607 5.057 ( 1.758 3.065 -4.014) 5.348 5.605 ( -12.613 2.652 4.512) 13.656 5.754 ( -9.118 -2.883 4.644) 10.630 6.142 ( -10.395 1.638 -3.370) 11.050 6.256 ( -15.054 1.974 5.418) 16.121 6.761 ( -1.661 -5.885 1.667) 6.338 6.825 ( 0.877 -11.115 5.373) 12.377 7.684 ( 7.772 -0.674 -7.214) 10.625 7.787 ( 10.848 -9.706 17.418) 22.700 9.198 ( -17.478 -7.988 17.644) 26.088 9.408 ( -10.342 -5.868 11.962) 16.866 9.840 ( -10.943 14.743 6.079) 19.341 10.387 ( -10.220 -5.115 -13.817) 17.931 10.587 ( 4.739 -0.925 -3.643) 6.049 11.336 ( -1.176 18.788 3.541) 19.155 11.897 ( 15.045 0.875 -12.266) 19.431 12.384 ( 17.921 6.307 0.688) 19.011 13.066 ( -10.668 -12.821 5.869) 17.681 13.486 ( -4.584 4.333 3.402) 7.166 13.662 ( -3.685 -6.657 -6.180) 9.803 14.539 ( 16.121 8.936 2.752) 18.636 17.875 ( -12.338 1.704 -14.247) 18.924 18.610 ( 9.696 0.792 8.197) 12.721 19.366 ( 6.966 6.086 -0.551) 9.267 19.824 ( -4.475 1.129 1.374) 4.815 20.963 ( -8.195 -9.939 -14.762) 19.592 22.997 ( 24.452 0.719 -3.265) 24.679 23.432 ( -7.042 9.073 3.468) 11.998 23.965 ( 2.938 -3.109 7.169) 8.348 ======================= Grid point 569 (285/432) ======================= q-point: (-0.09 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -16.973 -4.821 11.232) 20.916 2.902 ( -12.248 -5.944 -2.830) 13.905 3.169 ( 4.738 3.858 -0.768) 6.159 3.352 ( 5.069 2.807 -0.866) 5.859 3.445 ( 4.717 0.288 -3.174) 5.692 3.832 ( 5.728 2.986 1.822) 6.711 4.550 ( 6.944 7.550 -7.235) 12.552 4.972 ( -7.447 -1.875 -3.610) 8.485 5.444 ( -10.167 9.531 2.683) 14.192 5.656 ( -11.907 1.141 1.793) 12.095 5.985 ( -10.663 -0.918 -0.266) 10.705 6.117 ( -12.871 1.017 5.332) 13.969 6.777 ( -1.852 -3.156 -2.063) 4.201 6.986 ( -0.618 -10.426 6.068) 12.079 7.669 ( 9.437 -0.700 -12.058) 15.327 8.174 ( 2.948 -9.328 14.990) 17.900 9.181 ( -22.179 -3.388 11.883) 25.388 9.455 ( -3.348 -3.353 5.356) 7.151 9.624 ( -11.690 11.892 8.031) 18.509 10.142 ( -11.761 -7.704 -11.372) 18.083 10.680 ( 6.676 -4.459 -0.846) 8.072 11.285 ( 4.711 10.892 6.855) 13.705 11.935 ( 14.556 -0.757 -14.131) 20.301 12.628 ( 17.679 2.488 5.205) 18.596 13.114 ( -8.972 -10.867 6.385) 15.471 13.451 ( -1.521 4.845 3.884) 6.393 13.596 ( -3.565 -2.236 -2.985) 5.159 14.658 ( 15.100 12.268 -2.185) 19.578 17.537 ( -11.837 0.154 -13.460) 17.925 18.828 ( 10.035 1.716 8.956) 13.559 19.395 ( 8.315 9.041 -1.168) 12.339 19.678 ( -14.504 4.878 2.421) 15.493 20.872 ( 2.946 -14.278 -14.745) 20.736 23.241 ( 11.661 -7.290 -8.322) 16.074 23.298 ( -0.921 15.010 7.940) 17.005 24.154 ( 6.113 -0.639 11.704) 13.220 ======================= Grid point 576 (286/432) ======================= q-point: (-0.45 0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 11.592 0.000 7.157) 13.624 2.817 ( -10.117 -0.000 2.664) 10.462 2.998 ( 1.758 0.000 0.663) 1.879 3.255 ( 5.946 0.000 0.173) 5.948 3.491 ( 9.284 0.000 -3.282) 9.847 3.710 ( -19.256 -0.000 0.532) 19.263 4.566 ( 9.264 0.000 -1.123) 9.332 5.027 ( 12.146 0.000 -0.953) 12.184 5.588 ( -2.332 -0.000 12.846) 13.056 5.679 ( -4.569 -0.000 5.463) 7.121 6.298 ( -8.623 -0.000 16.342) 18.478 6.379 ( 1.042 0.000 8.694) 8.757 6.582 ( -2.427 -0.000 4.556) 5.162 6.653 ( 2.488 0.000 12.006) 12.261 6.944 ( -7.581 -0.000 0.617) 7.606 7.672 ( 13.460 0.000 -10.336) 16.970 9.132 ( -26.721 -0.000 24.992) 36.587 9.305 ( -12.913 -0.000 13.132) 18.417 9.652 ( 9.249 0.000 13.396) 16.279 10.704 ( 4.597 0.000 4.020) 6.107 11.113 ( -8.312 -0.000 -23.312) 24.749 11.632 ( 10.224 0.000 -10.242) 14.472 12.012 ( -5.437 -0.000 -3.245) 6.332 12.441 ( 6.023 0.000 -13.816) 15.072 13.017 ( -8.734 -0.000 3.568) 9.434 13.607 ( 6.733 0.000 -11.281) 13.137 13.764 ( -18.465 -0.000 3.937) 18.880 14.153 ( 12.669 0.000 8.571) 15.296 18.188 ( 9.187 0.000 0.664) 9.211 18.286 ( -0.989 -0.000 8.034) 8.094 19.296 ( 0.706 0.000 -9.190) 9.217 19.747 ( 4.805 0.000 -6.417) 8.017 21.609 ( -17.960 -0.000 -8.192) 19.740 22.333 ( 35.293 0.000 -1.808) 35.339 23.732 ( -9.872 -0.000 -0.637) 9.892 23.897 ( -6.957 -0.000 -0.337) 6.965 ======================= Grid point 578 (287/432) ======================= q-point: (-0.36 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -13.199 2.836 5.917) 14.740 2.971 ( 14.282 -1.687 5.545) 15.414 3.028 ( -0.204 -0.452 0.782) 0.926 3.308 ( 9.566 3.868 -6.917) 12.422 3.480 ( -8.573 -1.711 -3.588) 9.450 3.601 ( 2.600 -3.040 3.444) 5.278 4.649 ( 6.260 0.686 -1.606) 6.499 5.118 ( 7.062 0.834 -4.458) 8.393 5.663 ( -7.821 -2.504 3.953) 9.114 5.681 ( -4.091 -1.224 8.808) 9.789 6.310 ( -8.910 0.849 5.419) 10.463 6.458 ( -8.002 -0.293 7.151) 10.736 6.557 ( -8.627 -0.785 0.078) 8.663 6.641 ( 0.437 -3.358 2.153) 4.013 7.180 ( 11.766 -2.769 20.178) 23.521 7.723 ( 12.798 0.717 -10.363) 16.483 9.089 ( -24.982 -2.301 24.162) 34.831 9.302 ( -13.958 -1.398 15.749) 21.090 9.910 ( 6.328 0.754 12.572) 14.095 10.682 ( -7.195 4.050 -12.804) 15.235 10.730 ( -7.641 -1.061 -12.070) 14.324 11.692 ( 13.357 6.793 -5.126) 15.838 11.909 ( -0.971 3.373 -3.072) 4.665 12.389 ( 11.130 1.414 -11.558) 16.108 12.929 ( -11.358 -2.830 3.280) 12.157 13.556 ( -0.649 -5.494 -8.196) 9.888 13.616 ( -11.584 0.385 5.217) 12.711 14.423 ( 14.955 2.734 7.744) 17.061 18.202 ( -10.197 1.642 -6.532) 12.220 18.379 ( 9.599 -1.273 7.832) 12.454 19.331 ( 9.264 0.011 1.219) 9.344 19.758 ( 7.391 -1.475 -6.208) 9.764 21.234 ( -18.927 -0.086 -14.000) 23.543 22.725 ( 31.193 0.819 -5.570) 31.697 23.636 ( -7.099 3.195 5.736) 9.670 23.832 ( -4.552 -2.020 1.659) 5.250 ======================= Grid point 579 (288/432) ======================= q-point: (-0.27 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -15.950 0.307 9.242) 18.436 2.939 ( -15.004 -4.192 -0.303) 15.582 3.204 ( 11.076 0.569 -1.086) 11.144 3.314 ( 11.877 6.112 -0.614) 13.371 3.441 ( 5.609 -1.619 -7.773) 9.721 3.716 ( 2.910 -1.884 6.837) 7.666 4.673 ( 4.366 2.090 -4.320) 6.488 5.090 ( 0.029 0.855 -7.154) 7.205 5.609 ( -9.276 -1.626 4.222) 10.320 5.712 ( -6.656 -1.753 6.074) 9.180 6.168 ( -11.008 1.306 -4.234) 11.867 6.317 ( -13.844 5.201 5.687) 15.844 6.588 ( -6.562 -10.403 7.454) 14.382 6.732 ( 6.334 -3.135 -1.175) 7.164 7.609 ( 14.030 -6.453 15.001) 21.530 7.746 ( 10.962 2.425 -8.870) 14.309 9.080 ( -22.850 -5.451 21.815) 32.058 9.328 ( -13.411 -3.465 15.721) 20.952 10.035 ( -4.224 7.951 9.529) 13.110 10.293 ( -14.465 -4.305 -19.504) 24.661 10.628 ( 3.757 3.346 -4.309) 6.625 11.643 ( -0.980 16.532 1.689) 16.647 11.903 ( 11.590 -0.592 -10.846) 15.884 12.471 ( 16.624 2.770 -2.474) 17.034 12.882 ( -10.609 -7.443 6.726) 14.601 13.506 ( -3.510 -5.200 -2.547) 6.771 13.561 ( -5.142 -0.850 2.183) 5.651 14.660 ( 15.151 5.144 4.822) 16.711 17.899 ( -13.036 1.023 -15.224) 20.069 18.621 ( 9.962 0.487 10.396) 14.407 19.473 ( 10.496 6.117 3.154) 12.551 19.811 ( 2.944 -2.328 -1.333) 3.983 20.841 ( -13.184 -4.597 -18.153) 22.901 22.984 ( 22.552 -1.414 -10.378) 24.866 23.605 ( -3.638 10.606 8.888) 14.308 23.891 ( 0.816 -5.719 8.562) 10.328 ======================= Grid point 580 (289/432) ======================= q-point: (-0.18 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -18.487 -2.111 11.512) 21.880 2.765 ( -17.494 -9.465 -1.291) 19.933 3.245 ( 4.704 4.232 -2.849) 6.939 3.415 ( 2.009 -0.319 -3.542) 4.085 3.460 ( 11.459 6.533 1.249) 13.249 3.859 ( 6.083 0.096 5.310) 8.075 4.640 ( 4.759 3.290 -6.806) 8.933 4.945 ( -8.772 -1.099 -7.336) 11.488 5.560 ( -4.779 3.729 3.680) 7.091 5.667 ( -9.478 0.077 3.302) 10.037 5.976 ( -11.321 -0.058 -1.367) 11.403 6.162 ( -12.202 4.606 4.057) 13.659 6.675 ( -4.697 -9.104 3.660) 10.878 6.829 ( 5.587 -6.628 -0.853) 8.711 7.712 ( 10.460 4.674 -10.661) 15.649 8.015 ( 9.883 -9.186 10.030) 16.812 9.067 ( -23.482 -7.524 17.167) 30.046 9.374 ( -9.506 -5.137 12.023) 16.164 9.880 ( -12.415 10.912 1.248) 16.576 9.986 ( -11.763 -3.834 -9.336) 15.499 10.681 ( 9.800 1.694 -1.184) 10.015 11.509 ( -3.452 14.238 4.645) 15.369 11.922 ( 12.717 -1.012 -14.290) 19.156 12.679 ( 16.568 3.060 3.205) 17.150 12.929 ( -8.176 -9.419 8.902) 15.324 13.495 ( -2.084 -4.346 -0.503) 4.846 13.538 ( -2.480 0.315 2.642) 3.637 14.834 ( 15.024 8.219 0.514) 17.133 17.540 ( -12.421 0.190 -15.204) 19.633 18.856 ( 10.683 1.540 8.261) 13.592 19.565 ( 11.168 10.683 0.781) 15.475 19.749 ( -13.284 3.339 1.435) 13.773 20.636 ( 2.169 -13.327 -16.353) 21.207 23.123 ( 14.340 -5.955 -11.153) 19.118 23.548 ( -3.610 13.787 7.406) 16.062 24.126 ( 7.081 -2.730 14.616) 16.468 ======================= Grid point 581 (290/432) ======================= q-point: (-0.09 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -21.040 -5.556 12.325) 25.009 2.595 ( -18.297 -8.453 -3.742) 20.500 3.216 ( -1.343 -0.997 -0.970) 1.933 3.435 ( 4.170 6.420 4.528) 8.895 3.519 ( 4.625 4.559 -0.818) 6.546 3.958 ( 2.798 3.598 2.923) 5.414 4.592 ( 5.263 3.849 -7.954) 10.285 4.757 ( -11.461 -2.649 -2.717) 12.073 5.470 ( -4.517 9.612 1.075) 10.675 5.574 ( -5.157 4.178 -0.144) 6.639 5.831 ( -10.455 -0.189 -0.368) 10.463 6.046 ( -10.476 0.515 6.970) 12.593 6.671 ( -4.090 -4.127 -3.444) 6.754 6.979 ( 2.406 -8.864 4.490) 10.223 7.693 ( 12.272 3.942 -10.951) 16.914 8.222 ( -1.371 -6.797 3.363) 7.707 8.975 ( -23.644 -5.510 10.929) 26.624 9.447 ( -4.432 -5.195 7.995) 10.515 9.675 ( -10.387 10.681 6.186) 16.132 9.845 ( -4.134 -9.500 -4.846) 11.438 10.751 ( 4.729 4.545 -0.878) 6.617 11.460 ( 0.428 4.918 5.277) 7.226 11.928 ( 12.488 -1.855 -14.801) 19.454 12.873 ( 10.842 1.969 0.726) 11.044 12.993 ( -9.999 -8.706 8.558) 15.780 13.491 ( -0.389 1.064 -0.920) 1.459 13.584 ( 2.667 -1.797 5.458) 6.335 14.916 ( 14.592 12.450 -4.683) 19.745 17.271 ( -9.194 -1.182 -5.878) 10.976 19.046 ( 9.913 0.972 0.625) 9.980 19.499 ( -11.464 6.649 2.733) 13.531 19.644 ( 8.664 7.796 -0.920) 11.692 20.671 ( 6.138 -13.149 -10.445) 17.879 23.180 ( 4.174 -1.101 -8.543) 9.572 23.486 ( 0.357 7.888 4.840) 9.261 24.412 ( 7.740 0.974 15.244) 17.124 ======================= Grid point 589 (291/432) ======================= q-point: (-0.36 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -16.554 -0.000 8.857) 18.774 2.896 ( -18.487 -0.000 -1.040) 18.517 3.208 ( 13.738 0.000 0.787) 13.760 3.366 ( 12.200 0.000 -13.203) 17.977 3.435 ( 6.469 0.000 4.439) 7.845 3.697 ( 2.750 0.000 6.779) 7.315 4.689 ( 4.253 0.000 -3.648) 5.603 5.093 ( -0.940 -0.000 -7.824) 7.880 5.591 ( -7.487 -0.000 4.671) 8.825 5.696 ( -6.130 -0.000 5.620) 8.316 6.180 ( -11.367 -0.000 -4.317) 12.159 6.398 ( -12.521 -0.000 3.697) 13.056 6.467 ( -6.815 -0.000 8.960) 11.257 6.703 ( 6.106 0.000 -1.003) 6.188 7.551 ( 15.141 0.000 14.372) 20.876 7.772 ( 12.042 0.000 -10.128) 15.735 9.032 ( -25.125 -0.000 23.667) 34.516 9.298 ( -14.661 -0.000 16.813) 22.308 10.102 ( -0.740 -0.000 11.544) 11.567 10.256 ( -15.477 -0.000 -21.472) 26.468 10.660 ( 2.551 0.000 -4.992) 5.606 11.845 ( 16.370 0.000 -11.541) 20.030 11.853 ( -8.342 -0.000 1.967) 8.571 12.476 ( 15.666 0.000 -3.217) 15.993 12.833 ( -8.851 -0.000 6.844) 11.188 13.436 ( -2.578 -0.000 -5.209) 5.812 13.567 ( -6.391 -0.000 5.719) 8.576 14.704 ( 14.670 0.000 5.430) 15.643 17.908 ( -13.315 -0.000 -15.673) 20.565 18.625 ( 10.105 0.000 11.309) 15.166 19.536 ( 11.752 0.000 7.058) 13.709 19.779 ( 6.183 0.000 -4.481) 7.636 20.804 ( -15.383 -0.000 -19.945) 25.188 22.970 ( 21.630 0.000 -12.329) 24.897 23.757 ( 3.010 0.000 16.070) 16.349 23.782 ( -5.130 -0.000 3.349) 6.126 ======================= Grid point 590 (292/432) ======================= q-point: (-0.27 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -17.786 1.319 11.094) 21.004 2.620 ( -22.537 -6.438 -0.896) 23.456 3.305 ( 3.362 2.884 -7.366) 8.595 3.376 ( 6.801 -2.623 -0.788) 7.332 3.599 ( 11.799 6.753 3.063) 13.935 3.835 ( 4.793 -2.365 7.037) 8.836 4.676 ( 3.729 1.260 -6.274) 7.406 4.927 ( -9.139 -0.939 -8.487) 12.507 5.587 ( -1.888 0.360 4.646) 5.028 5.662 ( -7.500 -0.388 3.715) 8.379 5.979 ( -12.365 0.191 -1.736) 12.488 6.252 ( -11.009 4.663 1.306) 12.027 6.528 ( -4.578 -6.391 7.818) 11.087 6.759 ( 6.690 -2.123 -4.694) 8.444 7.789 ( 10.893 3.639 -8.911) 14.536 7.889 ( 13.385 -5.030 6.142) 15.562 8.972 ( -25.494 -3.166 19.639) 32.336 9.308 ( -13.765 -2.219 15.199) 20.625 9.848 ( -13.696 -2.804 -15.889) 21.164 10.121 ( -8.878 6.742 7.846) 13.632 10.703 ( 11.081 0.755 -3.080) 11.526 11.709 ( -9.927 8.125 3.245) 13.233 11.893 ( 12.236 -2.329 -14.099) 18.812 12.692 ( 16.245 -1.448 0.842) 16.331 12.860 ( -5.137 0.770 12.243) 13.300 13.379 ( -3.510 -5.593 -1.153) 6.704 13.566 ( -2.006 1.065 3.941) 4.549 14.927 ( 14.768 2.812 1.862) 15.149 17.543 ( -12.703 0.089 -16.145) 20.544 18.875 ( 10.873 0.606 7.991) 13.507 19.725 ( 9.175 7.198 3.857) 12.283 19.781 ( -6.030 0.028 2.084) 6.380 20.456 ( -0.809 -6.743 -21.140) 22.204 23.052 ( 14.350 -2.241 -12.868) 19.404 23.732 ( -5.236 6.918 6.233) 10.683 24.072 ( 9.426 -2.820 17.643) 20.201 ======================= Grid point 591 (293/432) ======================= q-point: (-0.18 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -23.549 -4.310 7.019) 24.948 2.452 ( -18.763 -7.106 3.376) 20.346 3.198 ( -6.657 -0.713 -1.803) 6.933 3.488 ( 5.484 0.759 3.701) 6.659 3.666 ( 6.877 10.554 0.502) 12.607 3.984 ( 2.091 -0.678 6.102) 6.486 4.633 ( 3.085 1.614 -6.618) 7.478 4.731 ( -7.830 -1.148 -5.111) 9.421 5.579 ( -3.579 4.110 1.419) 5.632 5.621 ( -0.691 1.262 -0.807) 1.650 5.836 ( -10.532 0.371 2.689) 10.876 6.080 ( -11.229 3.069 1.680) 11.762 6.585 ( -3.945 -5.402 0.849) 6.742 6.844 ( 7.262 -6.193 -0.747) 9.574 7.785 ( 11.223 5.925 -8.641) 15.353 8.106 ( 5.385 -6.522 0.099) 8.458 8.863 ( -25.076 -6.051 12.291) 28.574 9.338 ( -10.611 -6.455 12.307) 17.486 9.622 ( -7.247 -5.965 -5.725) 10.994 9.984 ( -8.973 13.438 5.173) 16.967 10.814 ( 10.537 2.110 -2.036) 10.937 11.568 ( -8.938 6.219 4.726) 11.870 11.904 ( 12.291 -1.215 -13.729) 18.467 12.874 ( 5.848 -2.235 -0.639) 6.293 12.929 ( -2.259 2.342 10.852) 11.329 13.417 ( -1.091 -8.409 1.874) 8.684 13.587 ( 1.165 1.446 2.663) 3.247 15.077 ( 15.073 6.541 -2.975) 16.698 17.255 ( -9.224 -0.639 -6.665) 11.398 19.058 ( 10.640 0.471 -2.350) 10.907 19.574 ( -16.908 2.492 1.610) 17.166 19.821 ( 10.428 12.174 1.290) 16.082 20.443 ( 9.183 -13.381 -10.823) 19.507 23.113 ( 12.196 -4.138 -10.993) 16.933 23.663 ( -6.595 9.755 6.935) 13.666 24.413 ( 9.757 -0.619 15.675) 18.474 ======================= Grid point 592 (294/432) ======================= q-point: (-0.09 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -22.157 -11.059 8.185) 26.081 2.221 ( -25.334 -4.707 -1.861) 25.834 3.169 ( -6.255 -3.789 8.733) 11.391 3.576 ( 1.622 1.715 2.323) 3.311 3.642 ( 5.604 10.461 0.586) 11.882 3.997 ( -8.944 3.588 5.568) 11.130 4.555 ( -2.365 2.889 -5.837) 6.929 4.683 ( 3.736 0.513 2.072) 4.303 5.481 ( -3.496 6.748 -8.912) 11.713 5.554 ( 0.716 4.155 -0.689) 4.273 5.728 ( -7.788 2.007 2.745) 8.498 6.019 ( -7.434 -1.222 9.997) 12.518 6.539 ( -3.208 -2.736 -5.297) 6.770 6.997 ( 2.684 -6.322 3.396) 7.662 7.795 ( 13.221 6.533 -8.038) 16.795 8.135 ( -4.107 -3.786 -2.106) 5.969 8.739 ( -23.078 -8.281 11.354) 27.020 9.440 ( -3.730 -7.386 9.374) 12.503 9.592 ( -2.597 -8.831 -1.099) 9.270 9.836 ( -4.443 9.936 4.646) 11.835 10.845 ( 2.946 9.241 -2.273) 9.962 11.493 ( -4.779 -0.873 2.534) 5.479 11.915 ( 11.997 0.246 -12.407) 17.260 12.860 ( -7.978 -2.690 0.293) 8.424 13.004 ( -0.014 0.063 4.914) 4.915 13.468 ( 1.277 -2.342 -4.331) 5.087 13.661 ( 3.348 -4.595 3.704) 6.785 15.134 ( 14.609 10.966 -7.979) 19.933 17.207 ( -1.301 0.192 10.204) 10.288 19.006 ( -1.731 -1.872 -14.847) 15.064 19.527 ( 3.062 0.891 8.631) 9.202 19.844 ( 9.643 11.357 -2.670) 15.136 20.554 ( 4.455 -10.986 -5.234) 12.959 23.156 ( 7.031 1.649 -8.130) 10.875 23.574 ( -4.743 7.415 5.326) 10.288 24.670 ( 5.361 0.847 10.787) 12.076 ======================= Grid point 601 (295/432) ======================= q-point: (-0.27 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -25.058 -0.000 1.161) 25.085 2.390 ( -18.584 -0.000 9.576) 20.906 3.193 ( -8.320 -0.000 -2.070) 8.573 3.492 ( 6.474 0.000 3.115) 7.184 3.781 ( 7.339 0.000 -0.554) 7.360 3.959 ( 1.671 0.000 8.931) 9.086 4.651 ( 3.715 0.000 -7.179) 8.084 4.715 ( -8.215 -0.000 -4.497) 9.366 5.617 ( -3.898 -0.000 2.065) 4.411 5.626 ( 2.257 0.000 -1.836) 2.910 5.839 ( -10.874 -0.000 4.603) 11.808 6.114 ( -11.504 -0.000 -1.763) 11.638 6.530 ( -3.709 -0.000 4.128) 5.549 6.790 ( 8.677 0.000 -3.678) 9.424 7.848 ( 10.136 0.000 -6.511) 12.047 8.038 ( 8.562 0.000 -2.122) 8.821 8.808 ( -25.495 -0.000 11.860) 28.118 9.278 ( -13.885 -0.000 12.946) 18.984 9.576 ( -7.279 -0.000 -4.477) 8.545 10.109 ( -8.995 -0.000 5.123) 10.351 10.829 ( 12.141 0.000 -2.992) 12.504 11.625 ( -13.529 -0.000 5.133) 14.470 11.889 ( 13.450 0.000 -13.211) 18.853 12.862 ( 9.926 0.000 -0.700) 9.951 12.969 ( -3.469 -0.000 10.980) 11.515 13.315 ( -3.272 -0.000 2.626) 4.195 13.601 ( 1.231 0.000 1.901) 2.264 15.133 ( 15.267 0.000 -2.360) 15.448 17.250 ( -9.272 -0.000 -6.969) 11.599 19.062 ( 10.779 0.000 -3.494) 11.331 19.593 ( -16.903 -0.000 0.875) 16.926 19.966 ( 6.853 0.000 6.856) 9.694 20.290 ( 12.680 0.000 -15.524) 20.044 23.076 ( 13.307 0.000 -11.503) 17.590 23.752 ( -7.570 -0.000 7.679) 10.783 24.404 ( 10.970 0.000 15.590) 19.063 ======================= Grid point 602 (296/432) ======================= q-point: (-0.18 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -23.469 -5.725 5.819) 24.848 2.165 ( -26.665 -1.746 -0.181) 26.722 3.127 ( -9.224 -1.160 11.744) 14.979 3.591 ( 3.541 0.344 2.067) 4.114 3.789 ( 2.887 5.503 -2.830) 6.828 4.031 ( -9.211 0.619 9.712) 13.400 4.598 ( -0.289 1.778 -5.134) 5.441 4.680 ( 5.136 -0.585 2.576) 5.776 5.539 ( -2.775 1.143 -13.366) 13.699 5.610 ( 2.434 1.984 -0.389) 3.164 5.765 ( -8.088 1.514 3.078) 8.786 6.009 ( -7.996 -0.099 9.435) 12.369 6.498 ( -2.310 -1.579 -3.253) 4.290 6.907 ( 8.149 -3.269 0.692) 8.807 7.908 ( 11.585 5.670 -3.903) 13.475 8.065 ( 1.412 -4.062 -5.892) 7.295 8.617 ( -24.819 -4.578 10.346) 27.276 9.294 ( -6.063 -5.867 9.649) 12.817 9.511 ( -4.548 -1.666 2.709) 5.549 10.013 ( -7.421 7.017 2.854) 10.604 10.929 ( 9.691 1.573 -4.031) 10.614 11.506 ( -12.802 0.990 4.371) 13.564 11.932 ( 13.647 0.988 -9.929) 16.906 12.882 ( -3.890 5.324 -1.174) 6.698 12.991 ( -2.225 -2.696 0.749) 3.575 13.352 ( -1.932 -7.312 1.821) 7.779 13.638 ( 2.830 0.296 0.178) 2.851 15.259 ( 15.210 3.801 -7.755) 17.491 17.209 ( 0.233 0.085 12.101) 12.103 18.981 ( -2.431 -0.863 -18.172) 18.354 19.537 ( 1.384 0.275 8.365) 8.483 20.043 ( 5.555 10.641 1.337) 12.078 20.364 ( 8.717 -10.230 -7.411) 15.348 23.139 ( 14.101 -1.394 -9.806) 17.232 23.715 ( -9.193 5.910 8.786) 14.023 24.670 ( 6.962 -0.349 8.391) 10.908 ======================= Grid point 603 (297/432) ======================= q-point: (-0.09 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -29.052 -4.557 -0.353) 29.410 1.907 ( -20.581 -12.144 11.164) 26.376 3.226 ( -4.982 -1.472 17.129) 17.900 3.594 ( -2.845 2.415 -0.664) 3.791 3.765 ( 5.659 3.676 -2.806) 7.309 3.936 ( -17.535 3.865 8.640) 19.926 4.481 ( -5.599 5.502 -3.332) 8.528 4.881 ( 13.162 1.714 8.266) 15.636 5.257 ( -8.256 -0.118 -15.767) 17.798 5.620 ( 3.859 3.070 -2.392) 5.480 5.742 ( -1.680 1.527 6.674) 7.050 6.074 ( -4.528 0.501 13.497) 14.245 6.451 ( 1.901 -0.304 -4.650) 5.033 7.009 ( 1.082 -1.967 0.101) 2.248 7.885 ( 4.036 4.803 -12.180) 13.700 8.100 ( 5.285 1.158 3.696) 6.552 8.521 ( -22.141 -10.387 17.094) 29.838 9.424 ( 1.597 -11.977 1.348) 12.158 9.523 ( -3.964 -1.381 7.298) 8.419 9.906 ( -2.921 6.546 2.941) 7.748 10.906 ( -1.284 11.677 -5.116) 12.813 11.382 ( -8.747 -5.909 -1.813) 10.711 11.976 ( 12.003 4.549 -7.716) 14.977 12.726 ( -10.708 0.507 -0.324) 10.725 12.996 ( -2.463 -5.788 -0.979) 6.366 13.369 ( -1.777 -5.017 -4.505) 6.973 13.685 ( 2.539 -3.187 0.191) 4.079 15.277 ( 13.363 7.682 -13.185) 20.284 17.512 ( 12.547 4.992 25.424) 28.788 18.747 ( -2.355 -5.194 -16.792) 17.735 19.717 ( 10.090 0.761 6.418) 11.982 19.996 ( 6.538 10.426 -5.544) 13.498 20.451 ( 0.661 -10.241 -4.169) 11.076 23.207 ( 10.617 4.133 -7.066) 13.407 23.624 ( -8.051 7.996 6.775) 13.216 24.758 ( -2.366 -1.863 -0.520) 3.056 ======================= Grid point 613 (298/432) ======================= q-point: (-0.18 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -31.603 -0.000 -0.661) 31.609 1.787 ( -20.558 -0.000 10.940) 23.288 3.215 ( -5.814 -0.000 19.402) 20.254 3.611 ( -2.019 -0.000 -0.841) 2.187 3.802 ( 4.803 0.000 -5.499) 7.301 3.970 ( -18.687 -0.000 10.522) 21.445 4.531 ( -4.582 -0.000 -1.763) 4.910 4.895 ( 14.130 0.000 8.751) 16.620 5.249 ( -8.513 -0.000 -18.913) 20.740 5.647 ( 4.418 0.000 -4.108) 6.033 5.755 ( -2.820 -0.000 6.894) 7.448 6.083 ( -4.140 -0.000 14.831) 15.398 6.447 ( 2.780 0.000 -3.913) 4.800 6.989 ( 6.117 0.000 -1.765) 6.367 7.928 ( -0.541 -0.000 -14.163) 14.173 8.116 ( 13.083 0.000 5.355) 14.137 8.419 ( -25.958 -0.000 17.752) 31.448 9.313 ( 0.661 0.000 2.289) 2.383 9.510 ( -4.642 -0.000 9.568) 10.635 9.977 ( -5.120 -0.000 0.707) 5.168 10.997 ( 8.604 0.000 -6.035) 10.509 11.338 ( -18.739 -0.000 -0.209) 18.740 12.028 ( 13.435 0.000 -6.530) 14.938 12.794 ( -11.234 -0.000 -5.136) 12.353 12.872 ( -3.521 -0.000 -3.297) 4.824 13.313 ( -3.223 -0.000 2.013) 3.800 13.667 ( 3.088 0.000 -1.793) 3.570 15.342 ( 13.662 0.000 -13.659) 19.319 17.557 ( 15.643 0.000 27.743) 31.849 18.700 ( -4.462 -0.000 -18.241) 18.779 19.721 ( 11.799 0.000 6.471) 13.457 20.137 ( -0.847 -0.000 -0.280) 0.892 20.314 ( 5.685 0.000 -9.039) 10.679 23.225 ( 15.925 0.000 -8.520) 18.061 23.722 ( -10.825 -0.000 10.058) 14.777 24.734 ( -2.124 -0.000 -3.931) 4.468 ======================= Grid point 614 (299/432) ======================= q-point: (-0.09 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -17.319 -3.855 14.620) 22.990 1.741 ( -15.800 -7.688 16.382) 24.023 3.379 ( -4.088 0.523 18.382) 18.838 3.536 ( -5.644 1.024 -1.859) 6.029 3.784 ( -8.990 2.964 0.700) 9.492 3.815 ( -5.071 -0.698 -0.950) 5.206 4.441 ( -5.710 5.532 1.335) 8.061 4.870 ( -4.637 -3.185 -16.835) 17.750 5.307 ( 12.521 1.789 17.436) 21.540 5.614 ( 0.219 0.143 -5.786) 5.792 5.837 ( 2.687 0.242 7.091) 7.587 6.221 ( -2.812 2.130 17.837) 18.183 6.487 ( 8.639 0.508 -2.122) 8.910 6.993 ( 0.110 2.011 -4.218) 4.674 7.707 ( -4.308 -0.893 -16.940) 17.502 8.300 ( -6.073 7.381 16.080) 18.707 8.450 ( -4.259 -9.840 20.263) 22.925 9.324 ( -1.157 -6.218 -4.181) 7.582 9.628 ( 0.987 0.706 12.875) 12.932 9.934 ( -0.169 0.143 0.669) 0.704 10.863 ( -16.108 18.141 -7.171) 25.298 11.143 ( -3.443 -15.502 -6.237) 17.061 12.084 ( 9.004 4.415 -7.023) 12.243 12.619 ( -8.546 4.063 2.713) 9.844 12.833 ( -4.635 -11.974 -2.770) 13.135 13.291 ( -2.273 -0.913 -0.498) 2.500 13.684 ( 2.260 -1.496 -2.329) 3.573 15.294 ( 10.313 3.718 -18.774) 21.740 18.129 ( 23.137 10.903 23.627) 34.820 18.514 ( 3.710 -9.358 -12.037) 15.691 19.919 ( 1.708 10.555 2.413) 10.961 20.072 ( 10.919 -1.888 -3.992) 11.778 20.291 ( -1.014 -8.299 -8.474) 11.904 23.325 ( 13.068 4.578 -6.445) 15.274 23.655 ( -10.377 7.208 7.838) 14.868 24.528 ( -16.627 -5.834 -12.442) 21.570 ======================= Grid point 625 (300/432) ======================= q-point: (-0.09 -0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.902 0.000 25.597) 25.761 1.761 ( -10.296 -0.000 21.974) 24.266 3.430 ( -6.243 -0.000 -3.484) 7.149 3.499 ( -18.535 -0.000 23.489) 29.921 3.669 ( -1.543 -0.000 0.358) 1.584 3.789 ( 7.872 0.000 -10.746) 13.321 4.444 ( -4.149 -0.000 4.747) 6.305 4.631 ( -0.288 -0.000 -15.061) 15.064 5.525 ( -2.676 -0.000 -4.891) 5.575 5.664 ( 1.393 0.000 21.894) 21.938 5.988 ( 10.859 0.000 4.932) 11.927 6.434 ( -2.127 -0.000 21.830) 21.934 6.599 ( 10.063 0.000 -1.208) 10.135 6.937 ( -1.094 -0.000 -6.522) 6.613 7.445 ( -6.771 -0.000 -11.955) 13.739 8.394 ( -20.292 -0.000 30.193) 36.378 8.697 ( 11.058 0.000 13.861) 17.732 9.215 ( -3.304 -0.000 -3.994) 5.183 9.818 ( 1.716 0.000 12.001) 12.123 9.929 ( 1.872 0.000 -1.714) 2.538 10.586 ( -23.612 -0.000 -1.967) 23.693 11.012 ( 5.956 0.000 -9.308) 11.050 12.052 ( 0.022 0.000 -11.998) 11.998 12.671 ( -3.781 -0.000 -2.304) 4.428 12.672 ( -2.953 -0.000 10.838) 11.233 13.266 ( 0.887 0.000 -1.418) 1.673 13.667 ( 1.294 0.000 -3.280) 3.526 15.179 ( 6.416 0.000 -22.034) 22.949 18.323 ( 3.615 0.000 -12.920) 13.416 18.840 ( 31.332 0.000 17.445) 35.861 19.838 ( -10.025 -0.000 -14.028) 17.242 20.040 ( -11.960 -0.000 0.190) 11.962 20.364 ( 27.156 0.000 -1.494) 27.197 23.443 ( 10.959 0.000 -6.696) 12.843 23.641 ( -11.895 -0.000 8.163) 14.427 24.003 ( -28.893 -0.000 -15.553) 32.814 ======================= Grid point 626 (301/432) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.871 0.000 12.137) 12.472 2.750 ( 1.036 0.000 24.021) 24.044 3.080 ( -1.958 -0.000 -6.054) 6.362 3.441 ( 3.419 0.000 -9.341) 9.947 3.545 ( -5.473 -0.000 -10.431) 11.780 3.729 ( 2.058 0.000 -5.240) 5.629 4.300 ( 8.374 0.000 -0.048) 8.374 4.367 ( -6.963 -0.000 -3.074) 7.611 5.744 ( 2.341 0.000 12.273) 12.494 6.188 ( -9.078 -0.000 7.531) 11.795 6.336 ( 0.661 0.000 3.287) 3.353 6.594 ( -8.844 -0.000 1.992) 9.065 6.838 ( 8.759 0.000 -2.887) 9.223 7.067 ( -1.737 -0.000 -4.637) 4.951 7.730 ( 5.482 0.000 31.838) 32.306 9.151 ( -7.945 -0.000 -8.247) 11.451 9.220 ( -14.500 -0.000 24.029) 28.065 9.356 ( 2.329 0.000 5.627) 6.090 9.757 ( 5.183 0.000 -5.110) 7.279 10.020 ( -11.827 -0.000 24.113) 26.857 10.522 ( 4.531 0.000 -18.352) 18.903 11.115 ( 14.832 0.000 17.802) 23.171 11.348 ( 3.848 0.000 -17.002) 17.432 12.170 ( -12.839 -0.000 -13.103) 18.344 13.082 ( -4.019 -0.000 5.166) 6.545 13.292 ( 12.265 0.000 -5.181) 13.314 13.651 ( -1.503 -0.000 6.307) 6.483 14.409 ( 1.600 0.000 -14.975) 15.060 18.099 ( 12.236 0.000 -5.703) 13.500 18.590 ( -16.118 -0.000 -20.252) 25.883 19.670 ( -16.119 -0.000 3.806) 16.562 19.752 ( 12.766 0.000 1.693) 12.877 21.456 ( 31.178 0.000 13.543) 33.992 22.469 ( -31.096 -0.000 -14.321) 34.236 23.540 ( -11.351 -0.000 1.797) 11.492 23.640 ( 12.546 0.000 -3.475) 13.018 ======================= Grid point 627 (302/432) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 5.224 0.433 10.105) 11.383 2.992 ( 1.140 0.462 -3.913) 4.102 3.030 ( 0.944 1.229 16.668) 16.740 3.358 ( -3.462 0.479 -9.232) 9.871 3.382 ( 0.923 1.895 -4.088) 4.599 3.666 ( 1.186 -3.009 -10.638) 11.119 4.247 ( -5.796 -2.116 -2.333) 6.597 4.453 ( 8.478 -6.514 0.210) 10.694 5.884 ( -1.925 1.301 10.478) 10.732 6.105 ( -11.071 0.255 1.092) 11.128 6.345 ( -5.397 1.777 4.633) 7.331 6.509 ( -11.254 -2.277 4.760) 12.430 6.887 ( 5.162 4.704 -3.012) 7.606 6.997 ( -1.062 -3.796 -3.475) 5.255 8.151 ( 4.649 5.936 32.168) 33.040 8.723 ( -15.472 20.662 -12.289) 28.589 9.324 ( -19.203 -17.740 12.112) 28.813 9.487 ( 1.645 -1.091 10.102) 10.293 9.765 ( 2.306 -1.150 -4.943) 5.574 10.262 ( 3.247 1.956 21.887) 22.213 10.387 ( 5.227 -2.855 -11.788) 13.207 11.218 ( 5.562 -0.091 -17.668) 18.523 11.549 ( 18.204 -1.249 16.639) 24.694 11.865 ( -3.120 5.277 -14.409) 15.659 13.087 ( -4.958 -7.519 0.625) 9.028 13.402 ( 10.609 -4.595 -5.229) 12.688 13.706 ( -3.599 2.163 9.513) 10.398 14.251 ( 0.899 2.581 -13.074) 13.357 18.172 ( -12.150 0.883 -14.286) 18.775 18.240 ( 11.373 -1.568 -1.664) 11.601 19.506 ( -15.546 1.158 4.136) 16.128 19.867 ( 3.069 0.707 1.083) 3.330 21.882 ( -16.158 8.138 -9.831) 20.590 22.060 ( 21.671 -6.174 9.097) 24.301 23.425 ( -9.327 -1.732 0.069) 9.486 23.769 ( 11.416 -0.752 -1.673) 11.562 ======================= Grid point 628 (303/432) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.023 2.288 3.404) 4.101 2.947 ( 3.807 -0.901 -2.627) 4.712 3.153 ( 1.487 3.817 3.282) 5.249 3.252 ( -1.293 0.181 -3.691) 3.916 3.390 ( 1.067 2.698 7.031) 7.607 3.593 ( 2.017 -6.582 -10.975) 12.955 4.201 ( -2.804 -6.098 -1.612) 6.902 4.631 ( 7.389 -10.069 0.290) 12.493 5.870 ( -13.352 3.465 5.037) 14.685 5.944 ( -10.889 -0.391 -1.646) 11.020 6.280 ( -8.660 2.698 4.016) 9.920 6.439 ( -13.793 -2.577 6.929) 15.649 6.840 ( 2.269 4.546 -3.572) 6.211 7.035 ( 3.944 -4.284 -1.806) 6.096 8.203 ( -13.791 18.287 -14.349) 27.028 8.463 ( 2.255 11.863 25.805) 28.491 9.312 ( -18.289 -14.590 6.161) 24.193 9.625 ( -2.983 1.975 13.756) 14.213 9.714 ( -2.605 -3.339 -4.680) 6.312 10.266 ( -1.043 -5.439 -10.726) 12.071 10.673 ( 11.806 -1.621 18.561) 22.057 11.074 ( 4.552 4.225 -13.731) 15.070 11.659 ( 11.001 8.907 -14.089) 19.971 12.022 ( 20.767 -0.658 13.601) 24.833 13.099 ( -4.020 -11.490 -2.046) 12.344 13.509 ( 4.748 -9.117 -4.883) 11.380 13.728 ( -6.507 5.160 10.671) 13.521 14.111 ( 4.195 1.271 -11.731) 12.523 17.855 ( -12.481 -1.145 -10.678) 16.465 18.465 ( 14.003 -1.234 7.066) 15.733 19.343 ( -12.281 2.231 1.881) 12.623 19.860 ( -6.919 -1.190 2.389) 7.415 21.414 ( -13.256 6.520 -17.932) 23.233 22.600 ( 23.982 -2.837 16.200) 29.080 23.326 ( -6.111 -1.189 -2.014) 6.543 23.912 ( 10.210 -1.508 0.748) 10.348 ======================= Grid point 629 (304/432) ======================= q-point: (-0.73 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -3.722 -4.455 -3.710) 6.889 2.938 ( -4.970 3.616 0.777) 6.195 3.150 ( -2.392 0.496 -4.287) 4.934 3.260 ( 7.204 0.479 3.217) 7.904 3.452 ( 2.241 2.527 2.980) 4.504 3.608 ( 3.787 -5.227 -1.924) 6.736 4.236 ( 2.862 -6.288 -1.859) 7.155 4.807 ( 4.767 -11.903 -0.356) 12.827 5.629 ( -20.059 3.541 -0.086) 20.369 5.787 ( -13.453 -1.525 -1.059) 13.581 6.171 ( -10.598 2.720 2.169) 11.155 6.356 ( -13.789 -0.155 8.576) 16.238 6.801 ( 2.515 3.211 -3.715) 5.517 7.096 ( 3.302 -3.277 -1.968) 5.051 7.769 ( -6.120 14.044 -13.230) 20.241 8.596 ( 0.027 15.171 14.088) 20.703 9.253 ( -16.843 -11.650 4.244) 20.915 9.639 ( -4.953 -4.977 -0.206) 7.024 9.724 ( -5.466 4.082 12.611) 14.338 10.131 ( -12.099 -11.844 -9.809) 19.568 10.901 ( 10.188 14.002 -3.254) 17.619 11.109 ( 11.904 0.190 11.807) 16.768 11.615 ( 18.561 5.020 -17.752) 26.169 12.425 ( 19.284 1.633 9.847) 21.714 13.136 ( -0.566 -10.777 -1.942) 10.965 13.526 ( -3.156 -7.177 -5.402) 9.521 13.699 ( -8.922 7.165 11.120) 15.956 14.123 ( 10.911 -9.018 -8.471) 16.496 17.610 ( -11.696 0.148 -5.630) 12.982 18.764 ( 12.244 -0.246 12.188) 17.278 19.216 ( -4.813 -0.357 -1.687) 5.112 19.776 ( -14.198 -4.206 3.423) 15.198 21.039 ( -3.045 8.213 -17.451) 19.526 23.045 ( 6.663 -7.528 13.382) 16.738 23.253 ( 6.582 6.303 -3.558) 9.783 24.090 ( 9.525 -3.422 5.059) 11.315 ======================= Grid point 630 (305/432) ======================= q-point: (-0.64 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -6.245 -6.191 -11.048) 14.120 2.840 ( -14.301 2.600 11.075) 18.273 3.064 ( 1.320 -2.875 -6.440) 7.175 3.380 ( 4.069 0.771 2.689) 4.938 3.510 ( 2.742 2.725 5.979) 7.120 3.704 ( 6.336 -5.997 -1.216) 8.808 4.320 ( 7.159 -3.944 -3.179) 8.770 4.912 ( -0.894 -6.560 -2.084) 6.941 5.348 ( -19.344 -2.143 0.490) 19.468 5.616 ( -13.279 -3.992 -0.838) 13.891 6.009 ( -11.060 3.896 -0.078) 11.726 6.296 ( -11.331 1.444 10.219) 15.327 6.740 ( -0.524 3.378 -5.332) 6.333 7.123 ( 0.621 -2.285 -1.874) 3.019 7.528 ( 4.912 8.850 -10.286) 14.431 8.540 ( -3.467 14.404 2.244) 14.984 9.177 ( -15.767 -10.078 3.999) 19.135 9.641 ( -3.644 -5.857 2.393) 7.301 9.735 ( -10.429 4.163 12.879) 17.087 9.973 ( -10.398 -8.928 -5.065) 14.612 10.836 ( 7.185 17.575 -2.505) 19.151 11.400 ( 10.255 1.427 10.983) 15.094 11.621 ( 19.646 2.670 -19.534) 27.833 12.689 ( 12.200 -0.004 1.684) 12.316 13.195 ( 0.241 -4.448 -2.149) 4.946 13.498 ( 0.371 -5.793 -3.507) 6.782 13.657 ( -8.155 6.504 13.512) 17.070 14.303 ( 11.685 -16.504 -6.475) 21.233 17.424 ( -10.739 2.074 1.079) 10.991 18.967 ( 4.542 3.040 1.381) 5.637 19.257 ( 7.842 -5.615 3.347) 10.210 19.656 ( -14.506 -4.447 2.958) 15.458 20.800 ( 2.994 7.809 -12.080) 14.692 23.076 ( -10.500 -8.530 -2.798) 13.815 23.419 ( 16.667 9.587 5.271) 19.937 24.344 ( 9.521 -5.485 10.361) 15.102 ======================= Grid point 631 (306/432) ======================= q-point: (-0.55 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -14.323 -1.140 -9.804) 17.394 2.734 ( -16.018 6.168 10.177) 19.955 3.138 ( 6.114 -10.388 -1.235) 12.117 3.411 ( 0.271 0.718 0.677) 1.024 3.613 ( 3.005 3.180 9.004) 10.011 3.829 ( 4.398 -10.008 -2.286) 11.168 4.404 ( 8.216 -0.886 -3.332) 8.910 4.804 ( -11.715 2.353 -0.915) 11.985 5.236 ( -8.803 -12.554 -2.157) 15.484 5.518 ( -7.797 -4.330 2.178) 9.181 5.849 ( -8.024 3.671 1.019) 8.883 6.269 ( -9.068 2.157 10.497) 14.038 6.602 ( -3.603 3.803 -8.019) 9.579 7.116 ( -1.024 -1.648 -1.459) 2.427 7.488 ( 11.675 3.624 -7.888) 14.549 8.355 ( -6.609 10.238 -2.394) 12.419 9.105 ( -14.176 -5.818 5.445) 16.262 9.679 ( -6.497 -2.634 6.904) 9.839 9.705 ( -11.950 -4.859 9.696) 16.137 9.902 ( 0.195 2.506 -1.590) 2.975 10.750 ( 1.587 11.459 -0.622) 11.585 11.568 ( 7.083 4.779 -0.507) 8.560 11.627 ( 16.638 2.130 -13.265) 21.386 12.812 ( 5.483 -2.899 -1.400) 6.358 13.155 ( -2.855 -1.697 -3.628) 4.919 13.468 ( -5.100 1.547 0.147) 5.331 13.755 ( 4.286 2.903 10.175) 11.416 14.522 ( 10.973 -17.642 -6.665) 21.819 17.353 ( -6.989 0.886 10.354) 12.524 18.906 ( 2.760 2.014 -14.592) 14.986 19.478 ( 7.390 -3.612 6.403) 10.424 19.587 ( -3.744 -2.416 2.451) 5.085 20.696 ( 3.044 5.164 -4.319) 7.388 22.976 ( -7.321 -7.873 -5.016) 11.863 23.554 ( 8.300 7.136 2.929) 11.331 24.632 ( 7.033 -4.936 11.035) 13.986 ======================= Grid point 632 (307/432) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -17.354 3.721 -3.211) 18.036 2.565 ( -15.941 10.659 9.395) 21.355 3.284 ( 3.861 -4.899 1.608) 6.442 3.435 ( 1.562 -4.949 -0.880) 5.264 3.720 ( 4.196 4.942 5.843) 8.728 3.920 ( -3.714 -13.871 0.303) 14.363 4.407 ( -5.808 -0.922 -3.553) 6.871 4.732 ( 4.228 -2.155 2.491) 5.360 5.189 ( -6.371 -7.644 -4.346) 10.859 5.531 ( -0.333 -2.059 3.351) 3.947 5.795 ( -3.357 0.480 5.904) 6.808 6.271 ( -6.788 1.533 10.798) 12.846 6.426 ( -2.779 2.341 -8.893) 9.607 7.086 ( -3.379 -1.451 -1.358) 3.920 7.543 ( 11.923 -0.819 -9.439) 15.229 8.197 ( -5.611 4.771 1.715) 7.563 9.039 ( -11.165 0.508 8.765) 14.204 9.676 ( -16.355 -7.526 12.677) 22.019 9.714 ( -2.727 3.120 3.174) 5.219 9.887 ( 6.142 6.572 -0.791) 9.030 10.682 ( -4.544 0.538 0.699) 4.629 11.517 ( 8.538 6.251 -13.679) 17.293 11.703 ( 9.872 2.149 -3.037) 10.550 12.839 ( -2.045 -1.117 -1.347) 2.692 13.105 ( 0.172 -0.379 -3.179) 3.206 13.382 ( -6.441 1.298 0.950) 6.639 13.855 ( 3.027 7.130 4.917) 9.175 14.710 ( 10.623 -15.132 -9.995) 21.017 17.492 ( -0.010 -4.418 19.074) 19.579 18.703 ( 3.216 4.018 -20.562) 21.196 19.627 ( 3.507 -2.994 2.651) 5.319 19.654 ( 8.060 -1.747 -0.298) 8.253 20.659 ( -0.286 4.450 0.301) 4.469 22.923 ( -3.649 -10.023 -4.158) 11.448 23.604 ( 3.004 3.946 1.600) 5.211 24.818 ( 0.833 -1.696 5.878) 6.175 ======================= Grid point 633 (308/432) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -12.918 8.532 8.540) 17.680 2.384 ( -13.916 13.699 11.923) 22.880 3.364 ( 3.792 -1.434 0.346) 4.069 3.484 ( -0.389 -5.696 -1.519) 5.908 3.747 ( 5.179 7.376 -2.799) 9.437 3.969 ( -12.653 -13.342 5.675) 19.244 4.275 ( -9.960 -7.827 -3.769) 13.217 4.862 ( 4.022 -1.573 -3.772) 5.734 5.183 ( 6.778 -1.689 4.867) 8.514 5.592 ( 3.275 1.191 2.091) 4.064 5.872 ( -0.655 -2.099 9.697) 9.943 6.319 ( -1.207 -0.914 3.504) 3.817 6.351 ( 0.456 -2.237 4.520) 5.064 7.019 ( -6.445 -1.109 -0.841) 6.594 7.537 ( 5.945 -1.243 -14.326) 15.560 8.207 ( -0.809 -3.409 8.412) 9.112 9.029 ( -6.558 6.104 14.735) 17.245 9.595 ( -2.740 10.644 -2.416) 11.254 9.724 ( -14.462 -6.916 15.927) 22.598 9.934 ( 7.077 2.499 -0.106) 7.506 10.616 ( -11.264 -6.160 0.295) 12.842 11.393 ( 5.942 8.729 -12.818) 16.607 11.782 ( 9.310 -1.100 -4.141) 10.249 12.759 ( -6.939 2.177 -0.739) 7.310 13.071 ( 1.579 3.198 -3.293) 4.855 13.315 ( -5.695 0.232 2.263) 6.133 13.835 ( -0.652 9.705 2.254) 9.985 14.803 ( 9.239 -11.297 -15.601) 21.363 17.831 ( 5.799 -10.447 18.095) 21.684 18.510 ( 8.951 4.839 -15.999) 18.961 19.665 ( -3.477 -7.664 -3.395) 9.075 19.811 ( 17.412 1.671 -2.026) 17.609 20.592 ( -4.178 7.003 0.737) 8.188 22.960 ( -0.043 -12.980 -2.071) 13.144 23.612 ( -0.608 0.399 0.451) 0.856 24.789 ( -8.036 3.908 -1.860) 9.128 ======================= Grid point 634 (309/432) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -2.674 8.951 18.342) 20.584 2.279 ( -9.376 13.431 16.929) 23.557 3.415 ( 1.065 -2.841 -2.928) 4.216 3.473 ( -1.149 -2.756 -2.524) 3.910 3.703 ( 8.310 7.559 -7.075) 13.276 3.929 ( -19.343 -8.264 8.808) 22.804 4.216 ( -3.462 -11.608 -6.710) 13.848 4.774 ( -3.152 6.455 -2.977) 7.776 5.430 ( 8.231 -4.582 2.890) 9.854 5.675 ( 12.195 3.409 5.544) 13.823 6.021 ( -1.387 -2.764 13.038) 13.400 6.382 ( 7.161 -3.111 -0.344) 7.815 6.534 ( 2.394 -6.349 13.911) 15.477 6.930 ( -7.944 -0.699 1.426) 8.102 7.406 ( 0.758 1.154 -14.012) 14.080 8.395 ( 0.403 -12.167 11.551) 16.782 9.107 ( -2.707 9.904 20.014) 22.494 9.423 ( -1.906 13.273 -3.214) 13.789 9.792 ( -9.861 -5.948 12.475) 16.978 10.032 ( 5.970 -2.480 3.477) 7.341 10.481 ( -17.914 -6.390 0.180) 19.020 11.233 ( 5.209 13.010 -11.422) 18.079 11.841 ( 5.235 -4.104 -8.151) 10.521 12.630 ( -8.090 0.715 -0.717) 8.153 13.037 ( 2.170 8.051 2.428) 8.685 13.266 ( -4.381 0.667 0.548) 4.465 13.752 ( -2.006 8.765 0.603) 9.012 14.784 ( 7.377 -7.970 -19.815) 22.596 18.057 ( 4.497 -6.259 -6.282) 9.943 18.632 ( 19.862 -2.990 7.661) 21.497 19.588 ( -9.478 -10.025 -8.357) 16.130 20.015 ( 20.237 1.565 -4.654) 20.824 20.460 ( -4.642 10.912 1.948) 12.017 23.077 ( 0.773 -15.560 -0.457) 15.586 23.591 ( -2.790 -2.359 -1.803) 4.075 24.504 ( -17.016 11.068 -7.204) 21.540 ======================= Grid point 635 (310/432) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 2.950 4.031 18.868) 19.518 2.317 ( -4.656 10.062 21.955) 24.595 3.325 ( -6.926 -1.774 -4.999) 8.724 3.498 ( 6.339 -3.295 -7.043) 10.032 3.684 ( 9.577 6.395 -6.351) 13.151 3.848 ( -16.037 -3.790 8.494) 18.539 4.199 ( 0.092 -10.545 -8.451) 13.514 4.647 ( -3.174 9.627 -0.357) 10.143 5.498 ( -0.190 -0.724 3.329) 3.413 5.973 ( 16.986 -0.991 6.381) 18.172 6.146 ( -4.555 -0.380 12.968) 13.750 6.535 ( 11.066 -3.689 -0.468) 11.674 6.754 ( 1.335 -5.979 2.298) 6.543 6.920 ( -3.966 -0.890 16.535) 17.027 7.263 ( -0.271 0.659 -7.502) 7.536 8.666 ( -1.997 -18.895 14.125) 23.676 9.204 ( -6.591 11.056 16.071) 20.590 9.307 ( 4.342 11.973 5.086) 13.714 9.828 ( -2.209 -0.071 2.531) 3.360 10.212 ( -1.540 5.189 13.415) 14.466 10.296 ( -15.950 -19.428 -0.837) 25.150 11.050 ( 5.619 17.518 -9.756) 20.823 11.751 ( -2.614 -2.403 -14.773) 15.193 12.550 ( -6.929 -5.343 -0.876) 8.793 13.046 ( 0.378 11.109 9.229) 14.448 13.209 ( 1.390 1.619 -3.900) 4.446 13.666 ( -1.932 5.209 -0.227) 5.560 14.686 ( 5.517 -5.375 -20.496) 21.896 18.041 ( 7.326 -2.014 -11.740) 13.984 19.077 ( 21.346 -7.701 9.239) 24.501 19.386 ( -13.256 -7.608 -14.109) 20.801 20.050 ( -3.604 4.355 -6.308) 8.470 20.518 ( 20.100 7.031 7.906) 22.715 23.185 ( -8.620 -18.973 -0.843) 20.857 23.536 ( 0.533 -0.585 -6.592) 6.639 24.052 ( -20.117 16.201 -5.321) 26.372 ======================= Grid point 636 (311/432) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 2.960 0.178 15.374) 15.658 2.483 ( -1.605 4.474 24.261) 24.722 3.192 ( -5.052 -0.816 -5.824) 7.753 3.494 ( 5.275 -2.191 -10.578) 12.022 3.685 ( 5.934 2.461 -8.074) 10.318 3.759 ( -8.862 -1.067 2.397) 9.242 4.216 ( 3.968 -5.313 -4.053) 7.772 4.512 ( -4.600 8.247 -1.404) 9.547 5.583 ( 1.478 -0.323 9.486) 9.606 6.169 ( -3.882 -0.777 10.339) 11.071 6.249 ( 5.583 0.109 4.475) 7.155 6.656 ( 0.351 -0.482 0.863) 1.049 6.761 ( 5.144 -1.936 -4.295) 6.976 7.099 ( 1.237 -0.606 2.151) 2.554 7.328 ( 2.688 -3.199 20.968) 21.381 8.972 ( -5.137 -23.930 14.091) 28.242 9.182 ( -4.930 4.052 10.592) 12.366 9.379 ( 3.770 19.521 12.533) 23.503 9.794 ( 1.968 2.562 -5.905) 6.731 10.046 ( -22.741 1.889 13.088) 26.306 10.531 ( 5.878 -19.716 -1.563) 20.633 10.898 ( 7.697 19.494 0.976) 20.981 11.532 ( -2.213 -0.593 -16.896) 17.050 12.439 ( -12.075 -5.503 -7.319) 15.154 13.065 ( -1.924 7.681 9.726) 12.542 13.215 ( 9.629 2.350 -4.911) 11.061 13.624 ( -1.346 1.078 1.674) 2.403 14.555 ( 3.506 -2.882 -18.087) 18.648 18.041 ( 10.096 -0.656 -9.513) 13.887 19.030 ( -16.267 -4.076 -20.348) 26.368 19.486 ( 19.309 -3.485 5.115) 20.277 19.853 ( -13.252 3.109 0.037) 13.611 20.926 ( 29.589 2.126 10.311) 31.406 22.998 ( -30.850 -10.493 -10.072) 34.107 23.533 ( 12.508 2.096 -6.068) 14.059 23.701 ( -13.986 7.713 1.919) 16.087 ======================= Grid point 638 (312/432) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -0.210 -0.000 -8.643) 8.646 2.918 ( 5.312 0.000 7.811) 9.446 3.209 ( -3.031 -0.000 -6.517) 7.188 3.230 ( 1.092 0.000 8.656) 8.725 3.438 ( 1.999 0.000 9.152) 9.368 3.512 ( 0.693 0.000 -14.131) 14.148 4.149 ( -1.862 -0.000 -2.044) 2.765 4.535 ( 6.700 0.000 0.289) 6.706 5.910 ( -10.516 -0.000 5.962) 12.089 5.933 ( -13.515 -0.000 -2.692) 13.781 6.310 ( -9.907 -0.000 4.672) 10.953 6.410 ( -12.253 -0.000 7.019) 14.121 6.900 ( -1.476 -0.000 -2.883) 3.239 6.977 ( 7.166 0.000 -2.791) 7.690 8.381 ( -16.987 -0.000 -19.982) 26.226 8.568 ( -0.593 -0.000 29.474) 29.480 9.165 ( -17.003 -0.000 13.268) 21.567 9.648 ( -1.174 -0.000 14.816) 14.862 9.678 ( -0.327 -0.000 -10.019) 10.024 10.211 ( -1.738 -0.000 -16.682) 16.772 10.663 ( 11.444 0.000 23.252) 25.916 11.109 ( 9.553 0.000 -15.666) 18.349 11.764 ( 10.156 0.000 -15.288) 18.354 12.010 ( 19.917 0.000 18.242) 27.009 12.987 ( -3.949 -0.000 -1.388) 4.186 13.424 ( 6.123 0.000 -6.608) 9.008 13.772 ( -6.556 -0.000 11.162) 12.945 14.125 ( 1.874 0.000 -13.054) 13.188 17.846 ( -12.282 -0.000 -10.616) 16.234 18.454 ( 14.285 0.000 6.957) 15.889 19.365 ( -13.491 -0.000 2.907) 13.800 19.847 ( -8.950 -0.000 2.286) 9.237 21.472 ( -12.025 -0.000 -20.263) 23.563 22.572 ( 22.036 0.000 18.763) 28.942 23.318 ( -4.226 -0.000 -1.377) 4.445 23.899 ( 10.578 0.000 -0.300) 10.582 ======================= Grid point 639 (313/432) ======================= q-point: (-0.82 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -3.455 -0.864 -10.160) 10.766 2.963 ( -6.309 -0.325 0.029) 6.318 3.169 ( 0.853 1.468 -2.094) 2.695 3.279 ( 1.907 2.048 3.162) 4.222 3.412 ( 5.095 -5.126 -9.727) 12.118 3.606 ( 2.421 2.462 12.766) 13.224 4.163 ( 3.779 -2.179 0.358) 4.377 4.629 ( 3.291 -6.929 -0.248) 7.674 5.694 ( -16.670 3.253 -2.217) 17.129 5.759 ( -17.539 -1.714 -0.215) 17.624 6.208 ( -11.619 1.368 3.538) 12.222 6.350 ( -12.035 -0.332 9.288) 15.206 6.855 ( 1.006 2.606 -2.488) 3.741 7.036 ( 4.998 -2.913 -3.872) 6.961 7.941 ( -11.043 5.499 -17.248) 21.205 8.790 ( -6.002 6.775 20.474) 22.386 9.121 ( -15.359 -3.837 10.912) 19.227 9.567 ( -0.601 -2.651 -8.285) 8.719 9.780 ( -4.742 2.051 15.241) 16.093 9.953 ( -10.761 -6.998 -16.394) 20.822 11.058 ( 14.372 4.713 11.732) 19.142 11.134 ( 16.239 0.934 -3.618) 16.664 11.731 ( 17.140 6.324 -17.375) 25.212 12.451 ( 17.529 0.862 13.417) 22.091 12.977 ( 1.245 -6.220 -0.154) 6.345 13.400 ( -1.091 -5.453 -7.509) 9.344 13.788 ( -9.702 2.930 12.067) 15.758 14.029 ( 6.069 -2.550 -12.401) 14.040 17.612 ( -10.866 0.030 -4.278) 11.678 18.761 ( 13.642 -0.134 13.624) 19.280 19.223 ( -8.979 0.617 -1.070) 9.064 19.718 ( -15.697 -2.102 3.321) 16.182 21.136 ( -1.632 3.065 -20.352) 20.646 22.938 ( -1.568 -3.681 11.914) 12.567 23.355 ( 14.790 3.851 3.775) 15.743 24.040 ( 9.320 -1.981 1.444) 9.637 ======================= Grid point 640 (314/432) ======================= q-point: (-0.73 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -4.867 -5.739 -11.187) 13.482 2.856 ( -10.941 -1.171 2.733) 11.337 3.063 ( -1.118 2.600 -8.186) 8.661 3.358 ( -0.452 -3.124 3.745) 4.898 3.485 ( 9.005 -4.089 -2.491) 10.199 3.729 ( 1.807 6.689 10.582) 12.649 4.270 ( 7.423 -1.877 1.509) 7.804 4.728 ( -0.049 -12.121 -0.804) 12.148 5.381 ( -23.006 4.158 -1.098) 23.405 5.550 ( -14.045 -3.862 -2.000) 14.703 6.072 ( -11.472 3.189 2.521) 12.171 6.315 ( -10.746 0.756 10.548) 15.077 6.802 ( -0.647 3.947 -3.683) 5.437 7.054 ( 0.545 -4.877 -4.880) 6.921 7.649 ( -0.188 4.754 -12.231) 13.124 8.757 ( -10.961 10.706 5.664) 16.335 9.080 ( -12.084 -1.280 10.059) 15.775 9.534 ( -0.330 -6.723 -3.657) 7.660 9.688 ( -13.188 -10.012 -8.824) 18.762 9.880 ( -7.552 1.002 14.222) 16.134 11.146 ( 15.206 15.678 -4.754) 22.352 11.438 ( 12.895 1.498 11.812) 17.551 11.698 ( 19.728 6.820 -19.678) 28.687 12.690 ( 7.813 -0.584 0.761) 7.872 13.117 ( 6.107 -2.702 0.956) 6.746 13.356 ( 0.208 -10.244 -3.867) 10.952 13.763 ( -10.416 5.251 13.607) 17.923 14.063 ( 9.303 -11.010 -9.151) 17.073 17.453 ( -10.751 1.272 1.925) 10.996 19.013 ( -0.623 2.162 3.045) 3.786 19.193 ( 9.381 -2.180 6.721) 11.745 19.587 ( -12.934 -3.386 3.458) 13.810 20.900 ( 2.812 4.071 -16.767) 17.481 22.925 ( -12.680 -7.214 0.619) 14.601 23.622 ( 18.296 11.956 8.455) 23.434 24.232 ( 8.747 -7.216 5.947) 12.804 ======================= Grid point 641 (315/432) ======================= q-point: (-0.64 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -7.395 -3.660 -11.068) 13.805 2.798 ( -14.334 0.580 12.715) 19.169 2.984 ( 6.161 -5.858 -9.438) 12.702 3.390 ( -3.266 -3.844 1.237) 5.193 3.607 ( 5.571 -4.957 -0.171) 7.459 3.797 ( 0.578 7.607 9.272) 12.008 4.402 ( 8.515 0.472 1.536) 8.665 4.770 ( -7.305 -8.113 -2.296) 11.156 5.066 ( -19.448 -5.042 -0.774) 20.106 5.444 ( -6.770 -4.088 2.067) 8.174 5.928 ( -9.576 5.039 3.167) 11.275 6.300 ( -8.819 1.508 10.407) 13.724 6.672 ( -4.634 4.648 -6.309) 9.104 7.031 ( -2.777 -7.169 -4.986) 9.163 7.556 ( 7.320 3.085 -8.107) 11.350 8.512 ( -14.064 8.429 -2.587) 16.599 9.065 ( -7.536 2.028 9.616) 12.385 9.513 ( -10.742 -16.539 -5.849) 20.570 9.622 ( -0.785 -4.532 3.320) 5.673 9.924 ( -9.149 2.182 14.283) 17.102 11.092 ( 9.730 24.672 -3.051) 26.696 11.660 ( 13.637 1.824 -5.088) 14.669 11.682 ( 16.053 7.288 -9.599) 20.073 12.763 ( 4.360 -2.970 -2.398) 5.795 13.090 ( -4.134 -4.886 -5.816) 8.648 13.462 ( 1.147 -2.739 -0.308) 2.985 13.811 ( 0.510 3.851 14.055) 14.582 14.222 ( 9.508 -16.978 -5.639) 20.260 17.368 ( -9.530 0.829 8.898) 13.064 18.912 ( -1.038 -0.757 -12.306) 12.373 19.472 ( 10.112 1.961 11.399) 15.363 19.547 ( -1.956 -2.117 3.335) 4.408 20.752 ( 2.289 1.834 -10.215) 10.628 22.810 ( -13.316 -9.607 -2.221) 16.569 23.765 ( 11.593 15.697 3.702) 19.862 24.510 ( 6.910 -9.513 9.850) 15.338 ======================= Grid point 642 (316/432) ======================= q-point: (-0.55 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -8.322 3.677 -3.477) 9.739 2.708 ( -13.827 6.669 9.733) 18.176 3.125 ( 8.258 -12.566 -0.083) 15.037 3.382 ( -2.713 -3.406 -0.283) 4.364 3.697 ( -1.178 -10.409 -1.155) 10.539 3.841 ( 0.766 8.246 9.326) 12.473 4.427 ( -8.790 2.989 -2.844) 9.710 4.680 ( -0.280 -4.027 1.171) 4.204 5.003 ( -6.507 -13.010 1.037) 14.584 5.486 ( 0.792 -3.327 5.308) 6.314 5.839 ( -5.775 4.386 6.662) 9.847 6.301 ( -6.663 1.760 9.471) 11.713 6.478 ( -5.413 3.807 -8.464) 10.744 6.987 ( -6.306 -8.915 -4.161) 11.686 7.556 ( 7.985 1.067 -7.811) 11.221 8.257 ( -12.587 2.812 -1.324) 12.965 9.075 ( -3.600 4.749 10.028) 11.665 9.474 ( -11.554 -16.931 0.110) 20.498 9.710 ( 1.877 -1.730 4.009) 4.753 9.942 ( -9.380 0.927 12.156) 15.382 10.936 ( 4.277 26.359 -1.539) 26.748 11.631 ( 17.737 5.671 -21.485) 28.431 11.776 ( 8.167 6.491 1.054) 10.486 12.802 ( -0.037 -2.913 -0.882) 3.044 13.041 ( -0.722 -6.495 -4.729) 8.067 13.416 ( -7.274 1.909 2.219) 7.841 13.947 ( 4.671 3.593 5.393) 7.988 14.435 ( 9.435 -16.605 -5.110) 19.770 17.425 ( -5.040 -3.450 16.153) 17.269 18.732 ( 1.646 -0.325 -19.571) 19.643 19.632 ( 5.343 2.583 3.125) 6.707 19.650 ( 9.748 1.722 3.270) 10.425 20.686 ( -0.602 -0.967 -3.253) 3.447 22.713 ( -11.910 -12.655 -1.445) 17.438 23.779 ( 7.377 14.833 0.618) 16.578 24.743 ( 0.985 -7.259 7.457) 10.453 ======================= Grid point 643 (317/432) ======================= q-point: (-0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -5.546 10.851 8.491) 14.853 2.580 ( -12.293 9.540 10.376) 18.703 3.316 ( 5.648 -6.346 1.500) 8.627 3.383 ( -2.023 -5.074 -0.423) 5.479 3.726 ( -7.462 -12.973 -0.033) 14.966 3.897 ( 4.529 8.098 4.342) 10.244 4.186 ( -16.004 -2.009 -3.188) 16.442 4.787 ( 3.444 -6.915 -1.546) 7.879 5.111 ( 3.587 -6.858 7.866) 11.035 5.602 ( 4.173 -0.152 5.246) 6.705 5.869 ( -1.208 1.643 9.948) 10.155 6.313 ( -0.939 0.112 -1.645) 1.898 6.332 ( -4.754 0.377 5.514) 7.291 6.920 ( -10.148 -9.705 -2.193) 14.211 7.533 ( 5.035 0.135 -10.823) 11.938 8.139 ( -7.824 -4.603 3.049) 9.576 9.131 ( -0.968 6.724 13.226) 14.868 9.493 ( -11.111 -15.702 4.988) 19.872 9.761 ( 1.264 4.419 1.855) 4.956 9.949 ( -8.742 -1.204 9.453) 12.932 10.750 ( -0.196 22.086 0.929) 22.107 11.545 ( 15.900 7.891 -21.087) 27.564 11.818 ( 7.613 5.769 -2.094) 9.779 12.777 ( -5.147 -0.135 -0.376) 5.162 13.054 ( 2.074 -4.590 -3.580) 6.179 13.339 ( -7.319 2.070 4.688) 8.934 13.978 ( 0.779 6.147 1.309) 6.332 14.589 ( 7.531 -13.295 -9.925) 18.220 17.663 ( 0.697 -9.317 18.858) 21.046 18.543 ( 6.483 -0.891 -20.786) 21.792 19.632 ( -1.547 3.789 -1.491) 4.356 19.839 ( 18.267 1.399 -1.421) 18.375 20.652 ( -3.213 0.072 0.027) 3.214 22.692 ( -9.757 -16.314 1.198) 19.046 23.739 ( 5.128 12.479 -1.424) 13.567 24.799 ( -7.167 -2.660 1.294) 7.754 ======================= Grid point 644 (318/432) ======================= q-point: (-0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -1.572 12.796 16.503) 20.942 2.493 ( -9.217 11.054 14.577) 20.485 3.370 ( -3.696 -3.412 -1.627) 5.287 3.418 ( 2.574 -3.305 -0.708) 4.249 3.733 ( -8.487 -11.307 1.603) 14.228 3.878 ( 4.042 10.038 -2.994) 11.228 4.050 ( -7.370 -7.748 -1.186) 10.759 4.814 ( -1.802 -2.005 -0.794) 2.810 5.349 ( 7.820 -5.147 6.600) 11.454 5.721 ( 6.947 1.844 6.292) 9.553 5.989 ( 2.603 -0.331 10.068) 10.404 6.335 ( 4.984 -2.774 -0.251) 5.709 6.430 ( -1.374 -5.341 13.028) 14.147 6.847 ( -11.784 -8.928 1.526) 14.863 7.432 ( 1.837 1.595 -12.475) 12.710 8.189 ( -4.680 -12.417 6.199) 14.646 9.240 ( -1.392 6.592 17.495) 18.748 9.563 ( -5.136 -10.066 5.089) 12.394 9.706 ( -3.377 7.973 2.813) 9.104 9.955 ( -9.282 -4.231 7.586) 12.712 10.595 ( -1.624 17.950 3.386) 18.338 11.432 ( 14.535 9.980 -19.496) 26.287 11.822 ( 5.124 3.059 -6.290) 8.670 12.657 ( -9.294 1.783 -1.829) 9.639 13.093 ( 3.849 -0.900 0.164) 3.956 13.299 ( -5.216 2.732 5.201) 7.856 13.910 ( -2.380 8.733 0.409) 9.061 14.622 ( 5.099 -10.623 -15.479) 19.454 17.934 ( 3.340 -8.157 4.738) 10.007 18.526 ( 13.070 -9.280 -6.688) 17.369 19.516 ( -6.033 1.681 -5.402) 8.270 20.040 ( 17.657 1.219 -4.150) 18.179 20.601 ( -0.464 5.454 0.829) 5.536 22.751 ( -9.539 -19.971 3.349) 22.384 23.677 ( 4.529 9.999 -3.471) 11.513 24.627 ( -15.228 3.593 -4.599) 16.308 ======================= Grid point 645 (319/432) ======================= q-point: (-0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.532 8.447 16.345) 18.407 2.500 ( -6.641 10.465 19.679) 23.257 3.285 ( -7.372 -2.918 -3.832) 8.806 3.453 ( 3.685 -2.038 -4.142) 5.906 3.732 ( -7.539 -8.459 1.578) 11.440 3.818 ( 6.845 7.937 -6.801) 12.493 4.054 ( 0.154 -5.823 0.120) 5.826 4.774 ( -2.735 4.587 0.789) 5.398 5.483 ( 1.299 -1.133 4.327) 4.658 5.944 ( 11.444 -2.382 8.124) 14.235 6.142 ( 1.530 0.201 9.649) 9.771 6.464 ( 9.291 -4.305 1.364) 10.330 6.640 ( 1.658 -7.263 8.232) 11.102 6.841 ( -9.310 -8.612 12.812) 18.027 7.288 ( -0.151 2.164 -10.053) 10.284 8.345 ( -5.368 -19.318 8.305) 21.702 9.355 ( -7.491 6.238 17.049) 19.639 9.539 ( 7.539 15.258 -0.397) 17.024 9.769 ( -7.151 -10.814 14.107) 19.160 9.954 ( -11.284 -9.810 6.521) 16.312 10.475 ( -0.298 18.840 3.991) 19.260 11.307 ( 13.291 12.912 -16.425) 24.762 11.722 ( -0.916 0.512 -13.515) 13.555 12.498 ( -10.463 -1.140 -2.340) 10.782 13.171 ( 4.641 2.462 4.391) 6.847 13.269 ( -1.245 5.747 3.315) 6.750 13.794 ( -4.079 9.198 0.231) 10.065 14.560 ( 3.502 -9.214 -18.318) 20.802 17.996 ( 7.059 -3.215 -9.220) 12.049 18.830 ( 9.572 -19.602 3.507) 22.094 19.350 ( -3.412 2.596 -6.578) 7.852 20.093 ( -0.857 0.705 -6.815) 6.905 20.665 ( 18.409 9.428 4.561) 21.179 22.819 ( -14.317 -21.919 2.529) 26.302 23.617 ( 6.397 8.085 -5.497) 11.684 24.269 ( -19.800 9.451 -6.389) 22.851 ======================= Grid point 646 (320/432) ======================= q-point: (-0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 2.039 2.989 13.897) 14.361 2.591 ( -4.897 7.322 22.180) 23.865 3.167 ( -5.390 -1.985 -4.995) 7.612 3.448 ( 2.689 -2.802 -7.506) 8.452 3.672 ( -6.907 -5.837 -6.854) 11.347 3.783 ( 7.935 5.112 -5.989) 11.179 4.149 ( 4.966 -1.291 3.968) 6.487 4.675 ( -3.404 9.262 -1.215) 9.942 5.576 ( 1.395 -0.259 9.150) 9.260 6.141 ( -1.786 -2.694 9.140) 9.694 6.255 ( 4.726 0.666 4.242) 6.386 6.636 ( 5.975 -2.299 2.065) 6.727 6.707 ( 1.001 -3.753 -2.059) 4.396 7.061 ( -1.511 -5.555 12.210) 13.499 7.241 ( 1.831 -5.481 8.698) 10.442 8.551 ( -6.961 -25.470 7.741) 27.515 9.307 ( -8.274 9.372 10.929) 16.605 9.616 ( 8.926 9.387 7.305) 14.871 9.864 ( -9.926 4.470 16.670) 19.910 10.011 ( -9.040 -12.184 3.354) 15.538 10.380 ( 2.088 9.560 2.761) 10.167 11.198 ( 12.902 15.879 -9.430) 22.528 11.517 ( -1.048 -0.729 -17.083) 17.130 12.328 ( -13.423 -6.044 -6.981) 16.292 13.237 ( -1.431 10.199 9.416) 13.954 13.278 ( 9.696 4.574 -1.424) 10.816 13.674 ( -4.227 5.500 0.361) 6.946 14.461 ( 2.444 -8.055 -17.437) 19.362 18.020 ( 10.273 -1.730 -8.824) 13.653 18.897 ( -13.970 -11.394 -11.829) 21.562 19.417 ( 16.205 -3.582 2.784) 16.828 19.912 ( -11.063 2.737 -4.492) 12.249 20.996 ( 28.254 6.034 8.881) 30.225 22.741 ( -23.802 -17.584 -4.024) 29.865 23.600 ( 10.230 5.599 -5.577) 12.926 23.871 ( -17.763 10.402 -2.974) 20.799 ======================= Grid point 647 (321/432) ======================= q-point: (-0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 2.739 0.269 11.752) 12.070 2.773 ( -0.670 2.426 22.252) 22.394 3.070 ( -2.130 -1.082 -5.521) 6.015 3.407 ( 1.608 -3.409 -8.086) 8.922 3.527 ( -4.492 -2.301 -10.503) 11.652 3.759 ( 4.364 3.219 -7.119) 8.949 4.264 ( 4.159 0.595 3.538) 5.492 4.513 ( -2.088 11.553 -3.569) 12.271 5.733 ( 1.868 -1.112 12.084) 12.278 6.179 ( -8.567 -1.149 7.251) 11.282 6.328 ( 0.592 -0.640 2.149) 2.319 6.614 ( -8.251 2.086 2.830) 8.968 6.800 ( 7.982 -4.170 -2.902) 9.462 7.072 ( -0.938 0.206 -3.232) 3.372 7.646 ( 5.857 -9.748 29.843) 31.936 8.729 ( -10.786 -28.718 1.397) 30.709 9.319 ( -3.400 4.974 14.950) 16.119 9.672 ( -3.216 18.671 4.902) 19.570 9.788 ( -2.827 6.251 -3.156) 7.552 10.015 ( -8.652 -0.438 21.720) 23.384 10.437 ( 5.686 -5.975 -7.730) 11.304 11.230 ( 15.284 11.278 6.555) 20.094 11.348 ( 4.707 -0.000 -17.073) 17.710 12.088 ( -13.645 -7.991 -12.759) 20.318 13.199 ( -3.455 12.001 5.231) 13.540 13.350 ( 11.607 6.310 -3.050) 13.558 13.638 ( -2.680 -1.140 4.976) 5.766 14.359 ( 1.470 -5.863 -14.769) 15.959 18.094 ( 12.132 -0.632 -5.215) 13.221 18.571 ( -15.492 -2.137 -17.293) 23.316 19.633 ( -6.186 -4.187 3.184) 8.120 19.759 ( 4.116 0.449 -0.265) 4.149 21.469 ( 29.088 1.634 13.073) 31.932 22.403 ( -27.339 -7.128 -12.249) 30.794 23.592 ( -12.644 5.646 0.237) 13.850 23.660 ( 11.523 2.360 -3.430) 12.252 ======================= Grid point 650 (322/432) ======================= q-point: ( 0.18 0.18 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -4.774 -0.000 -12.528) 13.407 2.836 ( -9.180 -0.000 -1.069) 9.242 3.102 ( -1.539 -0.000 -9.178) 9.306 3.313 ( -3.161 -0.000 4.032) 5.123 3.450 ( 10.347 0.000 -1.443) 10.447 3.804 ( 1.547 0.000 13.573) 13.661 4.255 ( 7.474 0.000 3.363) 8.196 4.607 ( -0.784 -0.000 -0.747) 1.083 5.435 ( -26.024 -0.000 -2.536) 26.148 5.502 ( -11.649 -0.000 -1.941) 11.809 6.102 ( -11.706 -0.000 3.732) 12.286 6.321 ( -10.447 -0.000 10.606) 14.887 6.848 ( 0.010 0.000 -2.422) 2.422 6.998 ( -0.529 -0.000 -6.467) 6.489 7.687 ( -1.943 -0.000 -13.545) 13.683 8.859 ( -14.164 -0.000 7.817) 16.178 9.086 ( -11.747 -0.000 15.941) 19.802 9.457 ( -3.405 -0.000 -8.601) 9.251 9.585 ( -6.069 -0.000 -14.408) 15.634 9.899 ( -8.306 -0.000 17.209) 19.108 11.288 ( 20.968 0.000 -7.577) 22.295 11.441 ( 11.668 0.000 13.970) 18.202 11.783 ( 20.007 0.000 -20.680) 28.774 12.673 ( 3.513 0.000 1.413) 3.786 13.129 ( 16.422 0.000 8.318) 18.409 13.223 ( -6.247 -0.000 -9.456) 11.333 13.814 ( -11.590 -0.000 15.229) 19.137 13.963 ( 8.402 0.000 -12.269) 14.870 17.464 ( -10.725 -0.000 2.247) 10.958 19.032 ( -3.747 -0.000 2.498) 4.504 19.177 ( 10.936 0.000 9.240) 14.317 19.556 ( -12.116 -0.000 3.574) 12.632 20.935 ( 2.738 0.000 -18.667) 18.867 22.862 ( -12.829 -0.000 1.246) 12.889 23.744 ( 19.247 0.000 13.571) 23.551 24.152 ( 7.493 0.000 1.147) 7.581 ======================= Grid point 651 (323/432) ======================= q-point: (-0.73 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -1.840 -1.957 -9.851) 10.211 2.751 ( -7.235 -3.248 4.715) 9.226 2.969 ( -0.248 1.585 -9.368) 9.505 3.312 ( -5.081 -3.717 2.052) 6.622 3.548 ( 4.131 -1.657 -0.162) 4.454 3.942 ( -0.200 6.683 13.403) 14.978 4.412 ( 8.271 0.443 5.338) 9.854 4.600 ( -3.891 -8.081 -1.396) 9.077 5.043 ( -26.260 0.197 -3.454) 26.487 5.392 ( -5.708 -1.735 1.663) 6.193 5.995 ( -10.674 2.328 5.061) 12.040 6.317 ( -8.624 0.492 10.316) 13.455 6.762 ( -4.457 5.943 -4.740) 8.812 6.902 ( -4.963 -7.457 -7.096) 11.427 7.584 ( 5.232 0.598 -9.032) 10.455 8.641 ( -17.481 6.025 -2.656) 18.680 9.133 ( -8.106 3.917 15.780) 18.168 9.248 ( -10.162 -11.364 -10.784) 18.674 9.554 ( 5.354 -2.907 -0.960) 6.167 9.959 ( -12.304 1.382 17.400) 21.355 11.435 ( 17.788 12.519 -3.653) 22.056 11.682 ( 9.661 0.972 1.741) 9.865 11.781 ( 20.211 3.488 -18.833) 27.845 12.711 ( 2.010 -2.713 -0.660) 3.441 13.028 ( -6.860 -1.784 -8.139) 10.793 13.403 ( 8.252 -2.869 1.548) 8.873 13.877 ( -1.660 4.050 13.827) 14.504 13.993 ( 7.250 -9.450 -4.748) 12.822 17.378 ( -11.046 0.340 8.119) 13.713 18.898 ( -3.118 -0.586 -11.419) 11.852 19.507 ( 6.879 1.320 11.145) 13.163 19.522 ( 3.803 -0.687 8.520) 9.355 20.768 ( 1.779 0.300 -14.862) 14.971 22.694 ( -14.346 -3.679 -1.344) 14.871 24.033 ( 11.359 14.783 8.682) 20.566 24.321 ( 6.775 -12.190 5.623) 15.037 ======================= Grid point 652 (324/432) ======================= q-point: (-0.64 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.874 3.629 -2.117) 4.292 2.794 ( -11.533 2.665 13.522) 17.971 2.915 ( 9.924 -9.856 -7.879) 16.053 3.297 ( -4.647 -5.923 -0.079) 7.529 3.575 ( -2.997 -4.140 -0.396) 5.126 3.999 ( -2.736 9.593 12.118) 15.696 4.484 ( -10.979 2.744 -1.549) 11.423 4.591 ( -0.319 -6.518 -0.026) 6.526 4.813 ( -7.034 -7.903 4.335) 11.433 5.428 ( 1.316 -3.160 5.355) 6.355 5.917 ( -8.369 4.113 8.405) 12.554 6.325 ( -6.343 1.077 8.950) 11.022 6.553 ( -7.374 5.306 -7.827) 11.992 6.823 ( -7.746 -9.869 -5.685) 13.774 7.562 ( 5.114 -0.161 -7.437) 9.027 8.316 ( -15.984 4.481 -5.468) 17.477 9.132 ( -4.536 -9.076 -2.877) 10.546 9.217 ( -6.776 -1.285 12.009) 13.848 9.675 ( 6.208 -2.181 3.684) 7.541 9.964 ( -15.648 1.482 17.228) 23.320 11.411 ( 9.679 26.891 -2.756) 28.713 11.694 ( 17.869 2.453 -21.615) 28.152 11.874 ( 12.627 2.847 -3.046) 13.297 12.753 ( 0.748 -2.645 -0.040) 2.749 12.919 ( -3.394 -6.857 -4.364) 8.808 13.430 ( -5.020 -0.147 1.149) 5.152 13.965 ( 6.658 -1.780 -3.051) 7.537 14.206 ( 6.642 -8.865 7.575) 13.419 17.380 ( -8.552 -1.835 14.116) 16.606 18.712 ( 0.275 -1.377 -18.886) 18.938 19.635 ( 11.818 -0.349 2.488) 12.082 19.748 ( 5.685 6.493 9.714) 12.993 20.645 ( -0.905 -3.187 -8.812) 9.414 22.542 ( -13.613 -7.134 -0.430) 15.375 24.055 ( 5.948 17.112 2.109) 18.239 24.579 ( 1.961 -12.077 7.571) 14.388 ======================= Grid point 653 (325/432) ======================= q-point: (-0.55 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 1.773 10.705 8.337) 13.684 2.717 ( -8.802 7.265 7.431) 13.619 3.141 ( 6.539 -12.753 3.763) 14.817 3.302 ( -1.393 -5.945 -0.441) 6.122 3.547 ( -6.985 -7.592 -0.677) 10.339 4.004 ( -5.953 4.231 8.278) 11.039 4.229 ( -10.783 6.311 -3.221) 12.903 4.645 ( -1.643 -9.548 -0.468) 9.700 4.991 ( 6.082 -6.125 10.885) 13.892 5.576 ( 5.249 -3.008 6.618) 8.966 5.919 ( -4.971 3.800 12.810) 14.256 6.330 ( -2.125 2.016 -3.310) 4.420 6.354 ( -7.192 1.735 4.010) 8.415 6.734 ( -10.820 -11.430 -3.728) 16.175 7.529 ( 2.825 -0.620 -8.225) 8.719 8.071 ( -11.597 -2.877 -3.616) 12.484 9.156 ( -3.326 -12.692 -0.325) 13.124 9.298 ( -4.313 2.727 15.088) 15.927 9.810 ( 6.890 1.812 3.673) 8.016 9.936 ( -18.329 0.083 17.652) 25.447 11.217 ( 5.065 29.916 -4.067) 30.613 11.634 ( 16.737 3.179 -23.540) 29.058 11.952 ( 12.666 8.187 -4.087) 15.626 12.760 ( -3.245 -1.551 0.388) 3.618 12.942 ( 0.823 -7.994 -1.099) 8.111 13.364 ( -7.523 0.677 3.686) 8.405 14.008 ( 4.336 -2.945 -5.575) 7.652 14.406 ( 4.201 -6.985 1.997) 8.392 17.528 ( -3.309 -6.477 18.672) 20.038 18.503 ( 3.583 -2.958 -23.588) 24.042 19.764 ( -0.608 10.460 1.388) 10.569 19.856 ( 19.022 0.705 -1.198) 19.073 20.600 ( -1.891 -5.747 -2.434) 6.521 22.463 ( -11.435 -10.324 2.401) 15.592 23.983 ( 3.655 15.698 -0.846) 16.141 24.706 ( -5.920 -8.205 3.273) 10.635 ======================= Grid point 654 (326/432) ======================= q-point: (-0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -0.647 13.291 14.101) 19.388 2.647 ( -7.526 7.942 10.857) 15.414 3.273 ( -3.705 -8.085 -0.418) 8.904 3.369 ( 3.436 -3.196 1.913) 5.067 3.528 ( -5.706 -11.432 -1.694) 12.889 3.961 ( -9.397 -2.870 5.185) 11.110 4.081 ( 4.089 12.746 -2.812) 13.678 4.713 ( -1.209 -9.283 1.483) 9.478 5.257 ( 7.057 -5.468 9.944) 13.364 5.735 ( 5.430 -0.450 6.239) 8.284 6.011 ( -0.227 2.617 12.890) 13.155 6.276 ( 2.979 -3.663 -1.059) 4.839 6.382 ( -4.998 -0.730 10.418) 11.578 6.665 ( -10.349 -11.464 -0.163) 15.445 7.451 ( 0.849 0.635 -9.440) 9.500 7.984 ( -7.876 -11.613 -0.658) 14.047 9.249 ( -3.012 -11.833 6.281) 13.731 9.398 ( -3.833 2.088 14.438) 15.083 9.865 ( -5.133 5.501 6.437) 9.902 9.924 ( -8.008 1.906 13.460) 15.777 10.986 ( 3.363 26.454 -2.936) 26.828 11.542 ( 16.218 3.465 -24.032) 29.199 11.961 ( 10.543 12.241 -6.721) 17.497 12.677 ( -9.198 0.395 -1.914) 9.403 13.036 ( 3.510 -5.296 2.445) 6.808 13.332 ( -4.821 0.710 5.779) 7.559 13.994 ( 1.080 0.121 -4.846) 4.966 14.469 ( 0.248 -6.059 -5.301) 8.054 17.793 ( 1.443 -8.223 14.555) 16.779 18.360 ( 7.265 -9.334 -18.584) 22.029 19.620 ( -4.147 9.555 -4.400) 11.307 20.051 ( 13.507 -0.051 -3.818) 14.036 20.637 ( 6.156 -1.019 0.053) 6.240 22.465 ( -10.518 -13.392 4.554) 17.627 23.879 ( 2.855 13.268 -2.941) 13.887 24.631 ( -13.443 -2.865 -2.240) 13.926 ======================= Grid point 655 (327/432) ======================= q-point: (-0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -3.019 9.919 13.249) 16.823 2.648 ( -6.900 7.336 16.058) 18.955 3.226 ( -7.307 -4.130 -2.525) 8.765 3.425 ( 1.514 -1.613 -1.538) 2.695 3.544 ( -2.724 -12.497 -4.332) 13.504 3.985 ( 6.091 9.956 -4.874) 12.648 4.007 ( 0.657 0.921 6.863) 6.956 4.781 ( -1.024 -3.843 2.253) 4.571 5.456 ( 3.374 -2.224 6.905) 8.000 5.899 ( 6.335 -2.825 7.341) 10.099 6.158 ( 4.435 1.710 9.337) 10.477 6.393 ( 6.602 -4.417 2.125) 8.223 6.517 ( -1.862 -7.628 15.127) 17.043 6.666 ( -7.977 -10.205 5.953) 14.255 7.326 ( -1.253 2.063 -9.342) 9.649 8.023 ( -7.515 -18.656 1.883) 20.200 9.410 ( -5.494 -3.576 15.697) 17.011 9.507 ( -0.122 -7.443 8.122) 11.018 9.793 ( -10.171 6.667 9.115) 15.198 9.951 ( -3.758 8.408 11.641) 14.844 10.812 ( 3.157 20.502 -0.777) 20.758 11.453 ( 16.730 3.931 -22.559) 28.359 11.836 ( 3.875 13.974 -12.570) 19.191 12.493 ( -12.825 0.044 -3.681) 13.343 13.165 ( 4.255 -2.376 5.000) 6.982 13.355 ( 0.411 3.583 6.052) 7.045 13.925 ( -2.341 4.660 -2.220) 5.668 14.409 ( -1.779 -7.194 -11.799) 13.933 17.940 ( 6.495 -3.159 -5.221) 8.912 18.489 ( 5.369 -19.792 1.809) 20.587 19.435 ( -1.971 6.992 -6.437) 9.706 20.077 ( -2.577 -2.505 -5.798) 6.822 20.806 ( 22.303 6.807 1.419) 23.361 22.495 ( -12.915 -16.047 4.121) 21.007 23.777 ( 3.732 10.444 -4.433) 11.944 24.371 ( -18.277 2.967 -5.619) 19.350 ======================= Grid point 656 (328/432) ======================= q-point: (-0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -1.390 4.540 11.889) 12.802 2.707 ( -6.188 6.276 18.737) 20.706 3.128 ( -5.668 -2.663 -3.718) 7.283 3.406 ( -0.361 -2.386 -5.560) 6.061 3.540 ( -1.758 -8.821 -7.537) 11.735 3.891 ( 6.435 7.529 -8.813) 13.258 4.167 ( 6.367 2.631 10.270) 12.367 4.785 ( -1.272 3.249 0.089) 3.490 5.578 ( 1.730 0.435 8.971) 9.146 6.076 ( 0.605 -5.107 7.112) 8.777 6.276 ( 3.567 1.979 4.854) 6.340 6.566 ( 9.507 -5.590 0.663) 11.049 6.662 ( -1.579 -1.557 4.640) 5.143 6.874 ( -2.183 -15.332 21.891) 26.815 7.199 ( -1.824 -0.100 -4.375) 4.741 8.130 ( -8.092 -24.185 2.398) 25.615 9.444 ( -10.770 6.116 13.348) 18.209 9.730 ( -0.893 -3.922 9.094) 9.944 9.757 ( -2.031 -5.834 8.854) 10.796 9.983 ( -2.626 10.583 16.580) 19.844 10.668 ( 0.104 18.693 -1.495) 18.753 11.399 ( 17.542 4.905 -18.527) 25.981 11.574 ( 0.953 12.120 -15.494) 19.695 12.258 ( -15.358 -2.321 -7.512) 17.253 13.294 ( 2.573 -1.163 6.796) 7.359 13.417 ( 6.931 9.079 5.013) 12.474 13.802 ( -5.944 8.310 -0.304) 10.221 14.301 ( -0.928 -10.108 -15.221) 18.295 17.986 ( 10.581 -2.175 -7.890) 13.377 18.672 ( -7.637 -14.628 -0.110) 16.502 19.381 ( 9.467 -0.574 -3.256) 10.028 19.927 ( -10.047 -1.049 -6.449) 11.984 21.117 ( 28.206 7.983 5.576) 29.840 22.455 ( -18.139 -15.683 -0.630) 23.987 23.711 ( 6.227 7.347 -4.646) 10.693 24.019 ( -18.304 6.905 -4.994) 20.190 ======================= Grid point 657 (329/432) ======================= q-point: (-0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 1.138 0.906 11.116) 11.210 2.821 ( -2.529 3.228 17.929) 18.392 3.049 ( -2.147 -1.286 -4.029) 4.743 3.342 ( -1.563 -4.149 -6.988) 8.275 3.474 ( -0.912 -3.381 -8.944) 9.605 3.823 ( 5.675 4.096 -9.154) 11.523 4.321 ( 4.426 5.022 8.044) 10.465 4.697 ( -0.159 9.443 -3.290) 10.001 5.717 ( 1.006 -0.451 11.580) 11.632 6.144 ( -6.847 -3.251 5.966) 9.646 6.327 ( 0.373 0.834 1.170) 1.484 6.653 ( -6.793 2.242 3.923) 8.159 6.715 ( 6.814 -5.513 -1.759) 8.940 7.059 ( -0.931 -2.223 0.198) 2.419 7.424 ( 6.812 -15.585 24.481) 29.809 8.249 ( -9.914 -27.808 -0.544) 29.527 9.416 ( -7.321 6.043 13.595) 16.581 9.774 ( -5.570 1.476 11.410) 12.783 9.897 ( -4.512 -4.023 2.486) 6.536 10.094 ( 0.714 11.162 17.329) 20.625 10.475 ( 0.017 12.302 -3.883) 12.900 11.349 ( 6.572 0.192 -17.104) 18.324 11.439 ( 18.276 13.197 -5.642) 23.237 11.963 ( -16.033 -5.614 -12.470) 21.073 13.389 ( -1.431 4.950 7.848) 9.389 13.479 ( 9.024 10.871 2.126) 14.288 13.655 ( -4.753 5.010 -0.078) 6.906 14.218 ( 0.815 -10.737 -14.101) 17.742 18.080 ( 12.037 -0.935 -3.790) 12.654 18.525 ( -13.452 -3.140 -10.201) 17.172 19.538 ( 2.332 -6.848 1.028) 7.306 19.758 ( -2.214 -0.778 -3.700) 4.382 21.513 ( 23.934 3.636 11.067) 26.619 22.258 ( -18.612 -9.484 -8.953) 22.727 23.695 ( -10.407 5.084 -1.769) 11.717 23.723 ( 4.687 5.838 -3.337) 8.196 ======================= Grid point 658 (330/432) ======================= q-point: (-0.09 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 3.510 -0.942 10.233) 10.859 2.980 ( 1.148 -0.887 2.373) 2.781 3.008 ( 0.337 -0.620 6.574) 6.611 3.295 ( -1.164 -5.234 -4.589) 7.057 3.383 ( -0.409 0.653 -6.224) 6.272 3.735 ( 3.452 4.411 -10.680) 12.060 4.329 ( -4.765 7.253 1.756) 8.854 4.617 ( 7.619 11.257 -1.450) 13.670 5.851 ( -3.219 -2.069 10.531) 11.205 6.093 ( -10.272 -1.358 1.051) 10.415 6.312 ( -4.874 -1.414 2.051) 5.474 6.561 ( -11.718 3.349 5.888) 13.535 6.799 ( 4.205 -5.301 -3.536) 7.634 7.051 ( 1.170 1.953 -1.499) 2.726 7.966 ( 7.524 -15.293 27.508) 32.361 8.300 ( -12.456 -27.062 -6.481) 30.488 9.485 ( -3.683 1.521 15.396) 15.903 9.670 ( -17.027 16.370 -1.406) 23.662 9.798 ( -4.252 3.055 4.454) 6.874 10.241 ( 4.244 0.873 11.525) 12.313 10.457 ( 8.401 5.224 0.638) 9.914 11.224 ( 3.012 0.885 -17.132) 17.417 11.593 ( 12.448 3.813 4.809) 13.879 11.742 ( 3.156 -6.877 -11.221) 13.534 13.286 ( -5.426 14.180 0.444) 15.189 13.535 ( 8.129 8.953 -0.280) 12.096 13.644 ( -3.015 -3.503 6.326) 7.834 14.167 ( 2.521 -7.137 -11.969) 14.162 18.160 ( -7.402 -0.208 -8.448) 11.234 18.275 ( 7.048 2.227 -4.140) 8.472 19.470 ( -13.838 -3.101 1.754) 14.289 19.840 ( 5.909 -2.617 0.452) 6.479 21.726 ( -16.934 -9.420 -3.800) 19.747 22.159 ( 22.707 4.934 3.227) 23.459 23.477 ( -10.718 4.292 -0.728) 11.569 23.794 ( 10.123 2.077 -0.977) 10.380 ======================= Grid point 662 (331/432) ======================= q-point: ( 0.27 -0.73 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 5.726 0.000 -0.856) 5.789 2.762 ( -0.395 -0.000 9.601) 9.610 2.877 ( 0.253 0.000 -7.159) 7.163 3.235 ( -6.243 -0.000 0.745) 6.287 3.543 ( -4.042 -0.000 0.615) 4.089 4.103 ( -6.168 -0.000 13.755) 15.075 4.479 ( -4.939 -0.000 -2.908) 5.731 4.537 ( -5.148 -0.000 1.047) 5.253 4.752 ( -7.077 -0.000 5.115) 8.732 5.398 ( 1.366 0.000 4.851) 5.040 5.955 ( -9.331 -0.000 9.203) 13.106 6.335 ( -6.236 -0.000 8.994) 10.944 6.642 ( -8.128 -0.000 -11.069) 13.733 6.693 ( -8.192 -0.000 -2.681) 8.620 7.559 ( 4.329 0.000 -7.447) 8.613 8.370 ( -18.048 -0.000 -7.711) 19.627 8.989 ( -4.069 -0.000 -7.155) 8.231 9.259 ( -7.350 -0.000 18.607) 20.006 9.652 ( 9.415 0.000 2.540) 9.752 9.978 ( -16.715 -0.000 17.689) 24.337 11.674 ( 16.452 0.000 -9.051) 18.777 11.782 ( 3.562 0.000 -1.979) 4.075 11.821 ( 23.897 0.000 -19.047) 30.559 12.725 ( -0.222 -0.000 2.528) 2.538 12.855 ( -4.154 -0.000 -5.644) 7.008 13.425 ( -3.676 -0.000 0.779) 3.758 13.930 ( 8.863 0.000 -11.195) 14.279 14.143 ( 3.865 0.000 17.254) 17.681 17.364 ( -9.810 -0.000 13.385) 16.595 18.699 ( -0.220 -0.000 -18.634) 18.635 19.632 ( 12.668 0.000 2.595) 12.931 19.811 ( 5.687 0.000 13.221) 14.392 20.611 ( -1.098 -0.000 -12.366) 12.415 22.482 ( -13.762 -0.000 -0.098) 13.762 24.303 ( 2.924 0.000 -0.682) 3.002 24.375 ( 4.478 0.000 11.053) 11.926 ======================= Grid point 664 (332/432) ======================= q-point: (-0.64 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 6.079 6.327 7.871) 11.787 2.817 ( 0.333 2.920 -1.993) 3.551 2.960 ( 4.654 -5.823 12.147) 14.252 3.190 ( -3.575 -5.733 -0.060) 6.757 3.469 ( -8.810 -2.068 0.372) 9.057 4.056 ( -15.894 1.978 7.367) 17.630 4.344 ( -3.885 6.569 -1.791) 7.839 4.488 ( -4.306 -8.286 1.672) 9.486 4.928 ( 7.335 -1.500 12.269) 14.373 5.524 ( 5.406 -2.192 6.684) 8.872 5.974 ( -7.200 2.080 14.300) 16.144 6.363 ( -3.869 0.952 7.761) 8.724 6.395 ( -6.788 3.409 -9.219) 11.945 6.567 ( -11.460 -7.327 -2.754) 13.878 7.518 ( 2.158 -0.491 -7.187) 7.520 8.047 ( -14.774 -0.349 -9.150) 17.381 8.954 ( 0.008 -7.297 -1.535) 7.457 9.372 ( -6.435 2.844 18.502) 19.795 9.828 ( 10.329 0.473 4.654) 11.339 9.943 ( -20.090 0.444 18.451) 27.281 11.657 ( 7.432 16.806 -13.347) 22.712 11.668 ( 12.875 3.326 -18.380) 22.685 12.020 ( 18.776 -1.145 -4.941) 19.449 12.734 ( -3.848 -1.297 1.757) 4.424 12.823 ( 1.439 -4.542 -0.344) 4.777 13.364 ( -7.648 -0.312 2.477) 8.045 13.928 ( 7.335 -3.902 -10.388) 13.302 14.352 ( 1.500 -0.853 10.620) 10.759 17.453 ( -5.519 -2.319 18.130) 19.092 18.464 ( 2.072 -1.303 -24.446) 24.568 19.863 ( 19.023 0.190 -1.616) 19.092 19.928 ( -0.879 6.893 6.077) 9.231 20.494 ( -0.464 -5.060 -6.853) 8.531 22.350 ( -11.096 -3.294 2.974) 11.950 24.236 ( 0.717 13.000 -1.084) 13.064 24.540 ( -4.045 -10.273 5.125) 12.172 ======================= Grid point 665 (333/432) ======================= q-point: (-0.55 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -1.426 8.849 11.160) 14.314 2.780 ( -1.537 7.590 4.476) 8.945 3.126 ( -0.577 -7.278 1.396) 7.433 3.285 ( 2.012 -7.518 5.478) 9.517 3.382 ( -7.679 -5.220 -0.963) 9.335 3.952 ( -8.331 1.316 7.747) 11.452 4.269 ( 3.659 8.691 -2.218) 9.687 4.543 ( -3.169 -9.526 3.524) 10.640 5.183 ( 6.676 -2.916 12.011) 14.048 5.699 ( 5.018 -3.211 6.559) 8.861 6.063 ( -4.930 2.971 17.978) 18.877 6.243 ( -0.897 -0.091 -3.888) 3.991 6.378 ( -7.056 -0.244 6.592) 9.659 6.498 ( -5.485 -7.710 1.199) 9.537 7.458 ( 1.172 0.369 -7.390) 7.492 7.817 ( -10.613 -7.697 -7.074) 14.897 9.050 ( 2.027 -8.973 3.708) 9.919 9.468 ( -7.134 3.596 17.787) 19.499 9.884 ( -22.171 0.095 19.536) 29.550 9.999 ( 10.098 3.720 4.548) 11.683 11.415 ( 3.925 22.339 -11.249) 25.318 11.576 ( 14.149 1.194 -23.915) 27.813 12.158 ( 16.358 9.171 -5.956) 19.677 12.669 ( -8.948 -1.410 -1.440) 9.173 12.937 ( 5.190 -5.334 4.152) 8.522 13.318 ( -5.982 -2.038 4.355) 7.675 13.934 ( 5.046 -5.042 -9.404) 11.804 14.428 ( -4.191 -0.053 4.812) 6.381 17.675 ( -0.333 -5.381 19.796) 20.516 18.238 ( 4.585 -4.925 -24.623) 25.525 19.800 ( -4.723 10.949 -4.411) 12.714 20.033 ( 6.604 -2.393 -3.680) 7.930 20.584 ( 15.255 -4.216 -0.787) 15.847 22.306 ( -9.465 -5.825 4.907) 12.149 24.102 ( -0.851 12.591 -2.787) 12.924 24.543 ( -11.150 -7.086 -0.099) 13.211 ======================= Grid point 666 (334/432) ======================= q-point: (-0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -7.555 7.254 10.343) 14.719 2.769 ( -2.876 7.736 10.274) 13.178 3.146 ( -4.956 -5.269 -1.455) 7.379 3.332 ( -2.328 -11.087 -4.994) 12.381 3.404 ( 0.495 -2.048 2.074) 2.956 4.022 ( 2.868 2.560 12.285) 12.873 4.182 ( 2.463 10.837 -6.448) 12.849 4.659 ( 1.458 -9.727 3.469) 10.430 5.412 ( 4.755 -2.732 9.966) 11.376 5.843 ( 2.000 -4.154 5.649) 7.292 6.199 ( 1.663 3.027 13.051) 13.500 6.304 ( 2.564 -6.044 6.000) 8.894 6.392 ( -5.815 -5.784 9.614) 12.637 6.556 ( -0.476 -3.219 5.630) 6.503 7.358 ( -1.503 1.986 -8.090) 8.465 7.736 ( -7.609 -15.080 -3.789) 17.310 9.243 ( 4.439 -9.259 9.077) 13.705 9.531 ( -8.595 3.512 15.934) 18.441 9.822 ( -23.467 -0.127 21.050) 31.525 10.128 ( 9.951 8.648 3.953) 13.763 11.154 ( 3.027 19.825 -9.955) 22.389 11.480 ( 14.456 0.448 -23.154) 27.300 12.125 ( 10.696 17.665 -11.670) 23.720 12.491 ( -13.756 -0.349 -4.066) 14.348 13.106 ( 3.792 -3.919 6.689) 8.631 13.366 ( 2.047 -2.947 5.049) 6.194 13.923 ( 2.790 -3.481 -7.585) 8.800 14.360 ( -9.358 0.751 -0.306) 9.393 17.897 ( 5.441 -1.745 1.372) 5.877 18.195 ( 4.916 -14.618 -2.073) 15.561 19.572 ( -4.610 8.944 -7.994) 12.851 20.011 ( -5.731 -5.303 -5.022) 9.283 20.885 ( 28.932 2.789 -0.510) 29.071 22.290 ( -11.204 -8.360 4.308) 14.628 23.953 ( -0.737 10.193 -3.906) 10.941 24.377 ( -15.802 -1.934 -4.011) 16.418 ======================= Grid point 667 (335/432) ======================= q-point: (-0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -5.360 4.167 10.128) 12.193 2.808 ( -3.774 6.112 13.606) 15.386 3.079 ( -5.401 -3.162 -2.500) 6.740 3.336 ( -0.819 -7.094 -6.669) 9.771 3.424 ( 1.095 -3.502 -2.675) 4.541 4.025 ( 0.559 7.920 -8.758) 11.822 4.218 ( 7.230 3.190 12.111) 14.461 4.781 ( 3.320 -3.372 1.151) 4.870 5.582 ( 2.682 -0.245 9.511) 9.885 5.970 ( -0.045 -7.381 5.406) 9.150 6.319 ( 2.555 2.800 6.066) 7.153 6.467 ( 6.167 -6.134 2.678) 9.101 6.618 ( -0.082 -12.887 20.838) 24.501 6.644 ( -0.642 -0.764 7.483) 7.549 7.211 ( -5.059 1.188 -6.061) 7.984 7.762 ( -5.594 -19.065 -2.575) 20.035 9.489 ( -2.710 -3.427 14.569) 15.210 9.576 ( -1.772 -2.178 10.331) 10.706 9.774 ( -21.698 0.022 22.207) 31.047 10.209 ( 9.134 13.500 5.529) 17.212 10.942 ( 1.597 14.250 -7.914) 16.379 11.414 ( 13.737 -0.459 -20.223) 24.452 11.889 ( 6.143 21.843 -15.947) 27.734 12.241 ( -15.082 -0.011 -7.244) 16.731 13.241 ( -0.603 -4.487 7.244) 8.542 13.524 ( 11.274 2.015 5.187) 12.573 13.885 ( -0.340 0.485 -4.438) 4.477 14.186 ( -10.892 -1.423 -5.967) 12.501 17.952 ( 10.911 -1.784 -7.483) 13.350 18.432 ( -1.506 -13.258 9.288) 16.258 19.396 ( 1.468 2.204 -8.069) 8.492 19.882 ( -9.230 -4.033 -6.363) 11.914 21.246 ( 31.197 6.859 1.587) 31.982 22.232 ( -14.904 -10.596 0.548) 18.295 23.835 ( 1.030 7.078 -3.870) 8.132 24.101 ( -16.540 3.074 -4.911) 17.525 ======================= Grid point 668 (336/432) ======================= q-point: (-0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -0.829 1.642 10.375) 10.537 2.877 ( -2.768 3.192 12.398) 13.098 3.030 ( -0.518 -0.876 -1.950) 2.200 3.270 ( -3.037 -4.260 -6.996) 8.736 3.428 ( 1.569 -1.982 -4.570) 5.223 3.887 ( 1.904 3.229 -9.384) 10.105 4.400 ( 4.794 3.868 9.532) 11.349 4.813 ( 3.823 4.265 -2.671) 6.320 5.719 ( 0.630 0.420 10.799) 10.825 6.062 ( -4.662 -6.736 4.339) 9.270 6.358 ( -0.357 2.733 1.927) 3.363 6.614 ( 6.793 -6.050 -1.338) 9.195 6.687 ( -6.609 1.214 7.190) 9.841 6.973 ( 0.146 -8.905 9.575) 13.076 7.188 ( 3.882 -10.067 12.195) 16.283 7.827 ( -5.690 -21.575 -4.026) 22.673 9.504 ( -11.545 4.219 13.921) 18.571 9.781 ( -16.610 -0.554 20.922) 26.720 9.788 ( 3.830 -6.658 7.874) 11.000 10.291 ( 7.463 12.450 8.951) 17.053 10.731 ( -3.003 14.346 -7.517) 16.472 11.354 ( 9.728 0.356 -17.322) 19.870 11.678 ( 14.702 15.227 -12.035) 24.348 11.927 ( -15.009 1.857 -11.278) 18.865 13.349 ( -2.396 -6.217 7.721) 10.198 13.687 ( 7.073 10.288 5.091) 13.483 13.788 ( -1.466 8.843 -0.704) 8.991 14.021 ( -3.539 -10.936 -11.983) 16.605 18.065 ( 12.380 -0.843 -1.723) 12.527 18.471 ( -9.913 -3.208 -1.942) 10.598 19.415 ( 3.750 -7.356 -2.175) 8.539 19.733 ( -3.425 -2.147 -6.063) 7.287 21.589 ( 18.079 5.184 7.038) 20.082 22.103 ( -8.366 -8.665 -6.998) 13.930 23.763 ( -4.659 3.568 -1.989) 6.196 23.833 ( -5.431 6.305 -3.317) 8.958 ======================= Grid point 669 (337/432) ======================= q-point: (-0.18 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 1.367 -0.422 10.258) 10.357 2.969 ( 1.771 -0.300 5.277) 5.574 3.021 ( 1.569 2.048 -0.002) 2.580 3.206 ( -2.422 -5.170 -3.325) 6.607 3.393 ( 0.756 0.785 -4.082) 4.225 3.793 ( 2.973 1.963 -9.530) 10.174 4.455 ( -2.723 6.730 3.736) 8.165 4.790 ( 7.919 8.661 -2.606) 12.022 5.828 ( -3.945 -0.557 10.281) 11.026 6.051 ( -9.028 -3.895 1.450) 9.939 6.311 ( -4.562 1.300 -0.577) 4.779 6.612 ( -13.066 2.588 6.611) 14.870 6.714 ( 5.515 -4.832 -3.338) 8.056 7.045 ( 0.479 -3.206 1.583) 3.607 7.673 ( 11.211 -18.457 21.606) 30.548 7.867 ( -7.497 -22.957 -6.660) 25.052 9.507 ( -8.322 1.155 13.572) 15.963 9.783 ( -10.626 0.717 6.958) 12.722 9.900 ( -9.411 4.689 12.764) 16.537 10.332 ( 0.483 9.597 2.936) 10.048 10.563 ( 6.180 7.167 0.054) 9.464 11.254 ( 2.223 2.867 -14.877) 15.313 11.614 ( -4.125 -0.999 -13.799) 14.437 11.751 ( 20.916 8.284 -1.184) 22.528 13.465 ( -3.029 -4.900 9.039) 10.718 13.536 ( -11.071 8.246 -0.107) 13.805 13.769 ( 5.029 10.242 -2.531) 11.687 14.032 ( 9.037 -6.963 -7.739) 13.785 18.170 ( -5.322 1.397 -4.155) 6.895 18.308 ( 5.620 1.636 -3.310) 6.725 19.407 ( -9.832 -4.279 -0.223) 10.725 19.778 ( 8.977 -4.703 -1.323) 10.220 21.584 ( -21.945 -7.179 -3.186) 23.308 22.222 ( 28.157 2.582 0.708) 28.284 23.561 ( -11.670 5.469 -0.680) 12.906 23.834 ( 7.386 2.579 -0.078) 7.824 ======================= Grid point 670 (338/432) ======================= q-point: (-0.09 -0.73 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -1.946 -2.004 9.404) 9.811 2.962 ( 2.840 1.801 -6.165) 7.022 3.107 ( 5.151 -1.551 3.675) 6.515 3.211 ( -1.268 -4.007 -0.715) 4.264 3.372 ( 0.919 0.062 1.232) 1.538 3.695 ( 2.898 4.997 -9.028) 10.718 4.337 ( -3.419 9.248 -1.931) 10.046 4.812 ( 8.371 9.897 -0.162) 12.963 5.819 ( -14.622 -2.040 5.171) 15.643 5.942 ( -9.275 -0.624 -1.257) 9.380 6.239 ( -7.665 -1.801 2.169) 8.167 6.477 ( -15.810 1.787 6.593) 17.223 6.771 ( 4.721 -3.569 -4.159) 7.233 7.086 ( 2.302 0.896 0.331) 2.492 7.852 ( -8.078 -21.494 -10.489) 25.244 8.203 ( 8.100 -18.055 19.265) 27.618 9.553 ( -9.447 7.380 0.849) 12.018 9.603 ( -12.981 3.878 13.283) 18.973 9.790 ( -10.453 6.546 4.628) 13.173 10.344 ( 1.313 3.084 -0.481) 3.387 10.697 ( 9.491 -2.185 4.724) 10.825 11.023 ( -5.197 2.757 -6.961) 9.114 11.553 ( 14.863 -2.967 -15.952) 22.004 12.038 ( 21.702 1.808 8.278) 23.298 13.307 ( -6.155 11.760 -2.321) 13.475 13.588 ( -6.521 -7.684 10.082) 14.255 13.684 ( -0.187 5.593 -4.440) 7.144 14.113 ( 12.063 3.130 -6.699) 14.149 17.882 ( -13.100 1.910 -11.096) 17.273 18.493 ( 13.248 2.015 7.479) 15.346 19.305 ( -8.585 -1.831 0.057) 8.778 19.871 ( -1.407 -0.289 2.122) 2.563 21.275 ( -16.834 -9.237 -13.651) 23.559 22.643 ( 27.675 1.576 9.297) 29.237 23.372 ( -9.352 4.704 -1.315) 10.550 23.942 ( 9.009 1.770 2.841) 9.611 ======================= Grid point 675 (339/432) ======================= q-point: ( 0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -3.257 -0.000 9.755) 10.284 2.843 ( 6.832 0.000 -2.806) 7.386 3.104 ( -3.322 -0.000 -1.277) 3.559 3.164 ( -0.252 -0.000 14.776) 14.779 3.343 ( -7.367 -0.000 0.362) 7.375 3.972 ( -6.752 -0.000 8.011) 10.477 4.349 ( 3.119 0.000 -1.363) 3.403 4.448 ( -4.426 -0.000 3.703) 5.771 5.160 ( 6.071 0.000 12.912) 14.268 5.664 ( 4.620 0.000 6.760) 8.188 6.091 ( -6.070 -0.000 19.051) 19.995 6.250 ( -3.098 -0.000 -5.191) 6.045 6.372 ( -11.043 -0.000 1.610) 11.159 6.430 ( 0.058 0.000 6.678) 6.678 7.462 ( 2.192 0.000 -6.550) 6.907 7.748 ( -12.269 -0.000 -10.125) 15.908 8.973 ( 4.262 0.000 4.123) 5.930 9.499 ( -8.561 -0.000 18.417) 20.310 9.886 ( -22.959 -0.000 20.072) 30.496 10.030 ( 11.321 0.000 4.473) 12.173 11.581 ( 14.529 0.000 -24.971) 28.890 11.636 ( 3.109 0.000 -15.850) 16.152 12.232 ( 17.695 0.000 -2.218) 17.834 12.647 ( -10.075 -0.000 0.149) 10.076 12.891 ( 9.096 0.000 2.437) 9.416 13.293 ( -8.063 -0.000 3.592) 8.827 13.885 ( 5.989 0.000 -8.956) 10.775 14.431 ( -5.124 -0.000 7.303) 8.922 17.628 ( -1.038 -0.000 21.051) 21.077 18.197 ( 3.836 0.000 -26.128) 26.408 19.955 ( 1.990 0.000 -10.161) 10.354 19.959 ( -6.086 -0.000 2.105) 6.440 20.540 ( 21.544 0.000 -1.218) 21.579 22.259 ( -8.851 -0.000 4.979) 10.155 24.244 ( -3.084 -0.000 -4.348) 5.331 24.448 ( -9.597 -0.000 2.308) 9.870 ======================= Grid point 677 (340/432) ======================= q-point: (-0.55 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -9.826 2.762 8.190) 13.086 2.900 ( 3.742 6.602 3.225) 8.246 3.062 ( -1.755 -3.988 -1.389) 4.573 3.177 ( -7.694 -6.198 -0.746) 9.909 3.378 ( 0.122 -0.949 5.180) 5.268 4.072 ( 4.349 2.459 11.642) 12.669 4.334 ( -2.814 7.038 -3.685) 8.428 4.495 ( 5.620 -8.447 3.054) 10.596 5.377 ( 4.511 -1.112 11.786) 12.669 5.773 ( -1.259 -3.022 5.774) 6.638 6.227 ( 2.239 -1.557 1.178) 2.971 6.249 ( -4.732 1.279 20.873) 21.441 6.332 ( -2.295 -1.720 5.664) 6.349 6.526 ( 1.169 -0.814 7.465) 7.600 7.403 ( 0.450 3.504 -7.398) 8.198 7.533 ( -7.976 -8.574 -7.594) 13.957 9.140 ( 7.220 -3.040 9.038) 11.961 9.576 ( -10.835 1.442 17.580) 20.701 9.819 ( -24.903 -0.071 22.359) 33.468 10.216 ( 11.920 2.271 3.243) 12.560 11.426 ( 3.229 10.062 -18.283) 21.117 11.484 ( 13.705 0.078 -23.400) 27.118 12.350 ( 11.200 7.514 -6.627) 15.027 12.481 ( -13.269 -0.803 -3.263) 13.688 13.071 ( 10.305 0.505 3.924) 11.039 13.270 ( -3.277 -6.321 3.586) 7.972 13.875 ( 4.490 -1.429 -5.804) 7.476 14.384 ( -11.728 1.127 4.451) 12.594 17.887 ( 3.479 0.391 15.121) 15.521 18.015 ( 6.299 -6.298 -14.400) 16.932 19.720 ( -7.728 7.720 -10.292) 15.008 19.907 ( -7.300 -6.319 -3.440) 10.250 20.910 ( 33.910 0.476 -1.334) 33.940 22.204 ( -10.224 -2.322 4.011) 11.225 24.100 ( -5.085 6.174 -4.569) 9.212 24.324 ( -12.807 -3.392 -1.997) 13.398 ======================= Grid point 678 (341/432) ======================= q-point: (-0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -6.654 2.920 8.328) 11.052 2.912 ( -1.744 5.977 6.972) 9.348 3.027 ( -4.603 -2.733 -1.638) 5.599 3.205 ( 3.367 -7.357 -2.323) 8.417 3.395 ( -1.233 -0.857 -0.746) 1.677 4.138 ( -8.612 5.025 -5.978) 11.625 4.268 ( 8.073 2.638 10.124) 13.215 4.702 ( 10.204 -4.883 1.910) 11.473 5.567 ( 3.158 -1.352 10.367) 10.922 5.843 ( -3.245 -6.865 5.427) 9.334 6.329 ( 4.297 -3.246 3.572) 6.461 6.391 ( -1.113 -0.571 9.847) 9.926 6.492 ( 3.439 -2.743 17.216) 17.769 6.633 ( -0.398 -0.611 8.514) 8.545 7.234 ( -7.938 1.577 -6.338) 10.280 7.507 ( 0.705 -11.022 -6.419) 12.774 9.402 ( 8.262 -4.125 12.265) 15.353 9.600 ( -12.260 1.999 15.176) 19.612 9.767 ( -25.499 -0.503 25.589) 36.129 10.376 ( 12.525 5.997 2.645) 14.137 11.159 ( 1.556 10.914 -16.649) 19.968 11.407 ( 13.718 -0.250 -20.740) 24.867 12.216 ( -4.141 12.141 -11.168) 17.008 12.261 ( -4.625 5.169 -8.302) 10.818 13.175 ( -2.256 -1.887 6.222) 6.882 13.441 ( 12.267 -10.574 -0.297) 16.198 13.888 ( 4.428 1.340 -2.044) 5.058 14.219 ( -16.448 2.949 2.224) 16.858 17.930 ( 11.141 -0.738 -8.496) 14.030 18.248 ( 2.393 -8.121 16.092) 18.183 19.446 ( -6.082 3.337 -11.237) 13.206 19.805 ( -7.086 -4.492 -5.423) 9.990 21.335 ( 35.819 3.622 -1.484) 36.032 22.103 ( -14.450 -4.886 0.652) 15.267 23.938 ( -4.590 4.813 -3.714) 7.617 24.128 ( -13.204 0.399 -3.828) 13.753 ======================= Grid point 679 (342/432) ======================= q-point: (-0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -0.482 2.708 8.879) 9.295 2.916 ( -3.882 1.224 6.075) 7.312 3.016 ( 2.393 -1.123 -0.271) 2.657 3.215 ( -2.323 -1.785 -4.840) 5.658 3.406 ( 3.094 -0.709 -0.179) 3.180 3.924 ( -6.693 1.046 -7.959) 10.452 4.448 ( 5.226 2.058 8.408) 10.112 4.849 ( 9.234 0.535 -1.956) 9.454 5.718 ( 0.803 -0.830 9.765) 9.833 5.925 ( -4.078 -8.802 4.382) 10.645 6.405 ( -0.493 2.343 2.796) 3.681 6.509 ( 4.401 -6.128 2.347) 7.901 6.697 ( -5.635 0.170 8.977) 10.601 6.810 ( 4.689 -7.867 14.522) 17.169 7.091 ( -5.441 -3.000 2.410) 6.664 7.549 ( 2.931 -11.445 -7.690) 14.097 9.558 ( -14.290 2.351 14.650) 20.600 9.697 ( 7.492 -4.105 10.385) 13.448 9.766 ( -22.779 -0.987 27.069) 35.392 10.488 ( 9.693 9.881 2.411) 14.050 10.912 ( -1.465 7.460 -13.234) 15.262 11.359 ( 12.542 0.237 -17.424) 21.470 11.908 ( -7.265 10.477 -9.541) 15.924 12.046 ( 3.019 12.075 -12.873) 17.907 13.232 ( -5.189 -6.751 6.247) 10.561 13.662 ( 9.021 -12.064 -5.313) 15.974 13.935 ( 9.592 8.469 2.839) 13.107 13.978 ( -17.088 4.344 0.434) 17.637 18.053 ( 13.183 -0.547 0.288) 13.198 18.421 ( -5.472 -2.649 5.343) 8.094 19.307 ( 0.152 -5.189 -5.641) 7.666 19.692 ( -2.228 -2.421 -7.054) 7.783 21.681 ( 12.769 5.600 2.023) 14.089 21.972 ( 1.161 -6.957 -6.068) 9.304 23.815 ( -6.648 2.434 -1.352) 7.207 23.923 ( -6.630 4.224 -2.945) 8.395 ======================= Grid point 680 (343/432) ======================= q-point: (-0.27 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.860 1.681 9.007) 9.203 2.965 ( 2.488 -0.489 4.914) 5.529 3.063 ( 4.313 2.037 -1.525) 5.008 3.129 ( -2.963 -3.431 -4.000) 6.046 3.421 ( -0.251 2.837 -0.170) 2.853 3.790 ( -1.268 -2.391 -6.805) 7.324 4.540 ( 0.465 3.427 3.736) 5.091 4.900 ( 8.769 4.631 -4.068) 10.719 5.823 ( -3.317 -0.603 9.212) 9.810 5.958 ( -7.470 -7.043 2.242) 10.509 6.349 ( -4.948 2.808 -1.861) 5.986 6.633 ( 4.237 -4.289 -0.742) 6.075 6.649 ( -11.499 1.277 5.839) 12.959 6.936 ( -4.827 -8.882 4.681) 11.140 7.389 ( 12.957 -14.461 16.731) 25.631 7.579 ( 2.210 -10.777 -9.493) 14.531 9.522 ( -13.260 0.574 13.660) 19.047 9.780 ( -17.223 -0.608 18.300) 25.137 9.926 ( 1.192 -0.116 13.920) 13.971 10.495 ( 0.223 8.557 -0.696) 8.589 10.675 ( -3.901 5.094 -10.119) 11.982 11.320 ( 9.662 4.425 -12.268) 16.230 11.656 ( -2.846 6.991 -9.443) 12.089 11.931 ( 15.968 11.893 -7.188) 21.168 13.303 ( -7.241 -10.671 7.197) 14.768 13.700 ( -8.423 5.677 0.840) 10.192 13.748 ( -5.113 -7.836 -8.484) 12.630 14.085 ( 17.436 10.294 3.344) 20.522 18.205 ( -3.660 2.654 -1.170) 4.670 18.327 ( 4.500 0.527 -1.431) 4.751 19.332 ( -3.234 -4.394 0.491) 5.477 19.691 ( 9.205 -5.203 -4.419) 11.460 21.490 ( -25.021 -4.037 -4.921) 25.818 22.248 ( 31.999 0.658 -2.127) 32.077 23.655 ( -10.633 5.576 0.912) 12.041 23.873 ( 3.430 1.781 0.486) 3.895 ======================= Grid point 681 (344/432) ======================= q-point: (-0.18 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -4.203 -1.579 9.829) 10.806 3.016 ( 4.319 4.013 -7.065) 9.201 3.096 ( 7.939 0.087 3.937) 8.862 3.141 ( -2.249 -3.876 1.894) 4.865 3.378 ( -0.311 0.558 -1.906) 2.010 3.748 ( 2.630 1.160 -4.537) 5.371 4.483 ( -1.832 7.516 -2.636) 8.173 4.933 ( 7.760 4.422 -2.339) 9.232 5.805 ( -13.205 -0.162 3.822) 13.748 5.918 ( -7.537 -2.424 1.590) 8.075 6.226 ( -7.855 0.321 -0.721) 7.894 6.502 ( -16.768 1.346 5.944) 17.841 6.718 ( 6.049 -2.943 -3.905) 7.778 7.023 ( -1.979 -9.405 3.798) 10.334 7.565 ( 0.773 -10.326 -11.167) 15.229 7.890 ( 13.399 -18.345 13.778) 26.569 9.536 ( -8.959 -2.515 12.561) 15.633 9.714 ( -15.396 3.397 7.579) 17.494 9.960 ( -14.153 11.698 10.904) 21.356 10.388 ( 0.729 3.066 -2.487) 4.014 10.570 ( -2.808 -9.605 -5.820) 11.576 11.209 ( 0.928 15.584 -1.004) 15.644 11.553 ( 14.644 2.882 -15.342) 21.404 12.093 ( 21.083 4.807 3.361) 21.884 13.362 ( -11.253 -9.913 5.139) 15.852 13.534 ( -5.405 6.772 3.921) 9.511 13.691 ( -2.122 -4.834 -6.974) 8.747 14.245 ( 17.192 11.158 -0.240) 20.496 17.916 ( -14.084 2.006 -12.162) 18.716 18.528 ( 12.306 2.109 8.253) 14.966 19.295 ( -2.754 0.839 -0.744) 2.973 19.838 ( 5.668 -3.821 1.125) 6.927 21.127 ( -21.837 -7.935 -10.834) 25.635 22.641 ( 28.737 -1.642 0.602) 28.790 23.486 ( -9.207 8.630 2.193) 12.808 23.963 ( 6.970 0.567 4.654) 8.400 ======================= Grid point 682 (345/432) ======================= q-point: (-0.09 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -9.870 -4.321 9.323) 14.249 2.937 ( 0.433 6.376 -6.194) 8.900 3.131 ( -2.747 -2.214 -2.007) 4.059 3.252 ( 8.497 -0.004 2.984) 9.006 3.399 ( 2.759 -2.662 1.844) 4.254 3.718 ( 4.717 6.342 -3.286) 8.560 4.361 ( 2.184 7.986 -5.238) 9.797 4.955 ( 4.171 4.448 -1.657) 6.319 5.606 ( -18.082 1.271 0.022) 18.126 5.812 ( -11.466 1.466 0.321) 11.564 6.126 ( -9.942 -2.381 0.363) 10.230 6.356 ( -15.172 0.011 7.442) 16.899 6.753 ( 3.537 -2.618 -4.843) 6.544 7.107 ( 0.392 -4.187 1.580) 4.492 7.531 ( 1.440 -11.179 -11.917) 16.403 8.314 ( 7.367 -17.629 8.346) 20.850 9.476 ( -17.245 12.696 1.655) 21.478 9.619 ( -7.012 -5.735 12.834) 15.709 9.767 ( -10.891 8.962 4.916) 14.936 10.260 ( -13.080 0.953 -5.713) 14.305 10.653 ( 5.801 -12.318 -1.611) 13.710 11.188 ( 7.058 10.332 9.384) 15.640 11.574 ( 19.100 -0.347 -18.326) 26.472 12.414 ( 20.009 0.545 6.918) 21.178 13.276 ( -5.089 3.447 -1.236) 6.270 13.561 ( -6.464 -4.119 10.003) 12.602 13.608 ( -3.108 -0.811 -4.549) 5.568 14.324 ( 14.626 13.881 -4.001) 20.557 17.606 ( -12.933 -0.295 -7.879) 15.147 18.769 ( 10.471 0.292 9.143) 13.904 19.251 ( 1.462 3.988 -1.655) 4.558 19.842 ( -10.354 3.210 3.286) 11.327 20.873 ( -6.274 -11.052 -13.610) 18.621 23.029 ( 22.895 -8.554 0.332) 24.443 23.311 ( -9.055 12.356 3.226) 15.655 24.138 ( 9.293 1.986 8.394) 12.679 ======================= Grid point 688 (346/432) ======================= q-point: ( 0.45 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -6.429 -0.000 7.344) 9.760 2.984 ( -5.025 -0.000 0.540) 5.054 2.995 ( -1.552 -0.000 -0.832) 1.761 3.126 ( 5.954 0.000 3.222) 6.770 3.388 ( -1.965 -0.000 -0.215) 1.976 4.182 ( -14.366 -0.000 -3.602) 14.811 4.293 ( 8.647 0.000 7.995) 11.776 4.654 ( 14.586 0.000 2.242) 14.757 5.552 ( 2.923 0.000 10.764) 11.153 5.778 ( -4.565 -0.000 5.783) 7.368 6.292 ( 3.491 0.000 4.695) 5.851 6.392 ( -0.072 -0.000 8.074) 8.074 6.479 ( 1.990 0.000 18.350) 18.457 6.627 ( -0.298 -0.000 8.544) 8.549 7.254 ( -11.794 -0.000 -6.184) 13.317 7.408 ( 6.846 0.000 -8.200) 10.682 9.367 ( 9.586 0.000 12.296) 15.591 9.618 ( -13.750 -0.000 16.074) 21.153 9.763 ( -26.360 -0.000 26.242) 37.195 10.422 ( 13.782 0.000 1.927) 13.916 11.261 ( 0.890 0.000 -20.846) 20.864 11.405 ( 13.627 0.000 -20.886) 24.939 12.259 ( -12.691 -0.000 -4.762) 13.555 12.376 ( 3.438 0.000 -11.181) 11.698 13.198 ( -6.519 -0.000 3.941) 7.618 13.290 ( 16.183 0.000 -1.605) 16.263 13.905 ( 6.024 0.000 0.439) 6.040 14.247 ( -17.261 -0.000 3.902) 17.697 17.925 ( 11.232 0.000 -9.915) 14.982 18.176 ( 3.688 0.000 19.400) 19.748 19.482 ( -10.376 -0.000 -12.877) 16.537 19.760 ( -4.751 -0.000 -4.437) 6.501 21.366 ( 38.122 0.000 -2.615) 38.211 22.063 ( -14.814 -0.000 0.570) 14.825 23.982 ( -7.921 -0.000 -3.981) 8.865 24.128 ( -10.686 -0.000 -3.018) 11.105 ======================= Grid point 690 (347/432) ======================= q-point: (-0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 1.671 1.822 7.453) 7.852 2.920 ( -4.224 -0.346 1.062) 4.369 2.995 ( 1.483 -0.924 0.606) 1.849 3.207 ( -0.657 0.231 -2.141) 2.251 3.400 ( 5.395 -0.120 2.731) 6.048 3.928 ( -14.416 -0.124 -6.282) 15.725 4.472 ( 5.752 0.739 6.734) 8.887 4.848 ( 12.815 -0.246 -1.301) 12.884 5.698 ( 0.931 -1.050 9.060) 9.168 5.805 ( -4.365 -4.306 5.301) 8.105 6.409 ( 4.190 -1.768 4.287) 6.250 6.451 ( -1.758 -0.186 3.740) 4.136 6.698 ( -4.615 0.006 9.073) 10.179 6.732 ( 4.232 -1.917 13.680) 14.447 7.062 ( -9.471 -0.737 0.193) 9.501 7.430 ( 9.759 -3.232 -9.586) 14.056 9.586 ( -16.325 0.981 14.539) 21.882 9.650 ( 9.247 -1.522 12.479) 15.606 9.753 ( -25.083 -0.429 29.232) 38.521 10.599 ( 11.919 3.260 0.120) 12.358 10.995 ( -3.700 2.523 -18.830) 19.355 11.361 ( 14.040 0.033 -17.330) 22.304 12.041 ( -9.026 5.002 -5.178) 11.545 12.225 ( 3.479 6.355 -14.505) 16.214 13.158 ( -6.846 -1.554 4.058) 8.109 13.461 ( 9.625 -8.612 -5.997) 14.240 14.038 ( 1.746 3.105 4.388) 5.652 14.041 ( -9.305 2.334 4.017) 10.400 18.047 ( 13.868 -0.189 1.494) 13.949 18.388 ( -2.120 -1.100 9.686) 9.976 19.248 ( -3.960 -1.749 -8.001) 9.097 19.661 ( -0.705 -1.081 -7.308) 7.421 21.773 ( 5.495 5.358 -2.305) 8.014 21.867 ( 11.007 -5.648 -4.825) 13.279 23.843 ( -7.854 0.856 -0.811) 7.942 23.971 ( -7.073 1.481 -2.526) 7.655 ======================= Grid point 691 (348/432) ======================= q-point: (-0.36 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 2.679 4.183 6.690) 8.332 2.937 ( 1.408 -3.253 3.701) 5.125 3.053 ( 2.161 -1.475 2.470) 3.598 3.123 ( 1.735 1.115 -8.523) 8.769 3.492 ( -0.124 5.316 3.745) 6.504 3.721 ( -7.206 -5.338 -4.201) 9.903 4.578 ( 2.656 1.346 3.153) 4.337 4.951 ( 9.844 1.566 -5.130) 11.211 5.800 ( -2.209 -1.831 7.505) 8.035 5.836 ( -6.303 -6.384 3.638) 9.681 6.392 ( -5.306 2.046 -2.134) 6.074 6.549 ( 5.486 -4.909 1.231) 7.464 6.679 ( -12.282 2.143 6.684) 14.146 6.805 ( -8.550 -5.798 4.254) 11.172 7.206 ( 11.572 -7.081 12.508) 18.453 7.478 ( 10.625 -2.701 -10.175) 14.958 9.527 ( -16.685 0.089 14.309) 21.980 9.770 ( -22.723 -0.489 25.814) 34.394 9.920 ( 7.501 -0.400 12.769) 14.815 10.614 ( -1.010 5.682 -5.885) 8.243 10.717 ( -6.974 0.095 -13.818) 15.479 11.377 ( 17.166 2.148 -13.736) 22.090 11.832 ( -3.520 11.922 -3.388) 12.885 12.106 ( 11.155 7.526 -9.926) 16.721 13.143 ( -9.108 -7.326 5.013) 12.719 13.542 ( 2.900 -10.582 -7.403) 13.236 13.822 ( -15.839 4.507 3.701) 16.878 14.237 ( 15.866 6.682 4.694) 17.844 18.253 ( -1.731 2.950 0.465) 3.452 18.324 ( 2.755 -0.872 0.146) 2.893 19.268 ( 3.935 -2.904 3.245) 5.869 19.617 ( 6.832 -3.341 -7.951) 11.002 21.445 ( -25.916 -1.592 -7.210) 26.948 22.250 ( 33.742 -0.167 -4.644) 34.060 23.739 ( -7.630 4.121 3.229) 9.253 23.890 ( -1.107 0.286 0.329) 1.190 ======================= Grid point 692 (349/432) ======================= q-point: (-0.27 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -6.848 0.482 7.697) 10.313 3.055 ( 6.827 -0.451 -3.131) 7.525 3.092 ( -0.704 -0.997 -1.136) 1.668 3.111 ( 8.816 0.854 1.879) 9.055 3.397 ( -4.302 1.961 -1.869) 5.084 3.742 ( 2.692 -1.252 1.982) 3.570 4.580 ( 0.191 4.036 -2.191) 4.597 4.976 ( 6.493 1.183 -6.101) 8.988 5.785 ( -10.231 -2.664 1.711) 10.710 5.865 ( -5.388 -3.412 5.153) 8.199 6.246 ( -8.653 1.752 -2.747) 9.246 6.532 ( -16.159 2.449 5.168) 17.141 6.661 ( 6.645 -4.307 -2.886) 8.428 6.824 ( -6.847 -10.946 4.375) 13.632 7.493 ( 8.712 -0.722 -9.958) 13.251 7.619 ( 16.120 -12.906 8.872) 22.475 9.497 ( -13.611 -2.010 13.413) 19.215 9.742 ( -20.435 0.653 17.280) 26.770 10.110 ( -2.267 5.672 13.105) 14.459 10.397 ( -14.418 -5.013 -8.200) 17.328 10.503 ( 0.321 4.580 -9.891) 10.904 11.416 ( 15.082 6.791 -10.802) 19.755 11.683 ( 2.909 13.239 -3.227) 13.934 12.188 ( 18.693 5.654 -0.419) 19.534 13.161 ( -10.694 -11.637 6.520) 17.097 13.558 ( -0.751 -8.495 -5.685) 10.249 13.658 ( -8.552 5.373 3.198) 10.594 14.425 ( 16.499 9.136 2.138) 18.981 17.945 ( -15.130 1.441 -13.596) 20.393 18.560 ( 11.585 1.565 9.173) 14.860 19.338 ( 3.909 4.285 0.512) 5.823 19.744 ( 10.974 -7.117 -0.792) 13.104 21.020 ( -26.061 -4.627 -10.223) 28.374 22.601 ( 27.532 -2.706 -5.813) 28.269 23.644 ( -5.942 9.601 5.412) 12.521 23.955 ( 4.284 -1.767 5.859) 7.471 ======================= Grid point 693 (350/432) ======================= q-point: (-0.18 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -10.313 -3.264 7.693) 13.273 2.993 ( -10.125 -2.321 -2.621) 10.714 3.111 ( 6.019 1.552 -1.162) 6.323 3.282 ( 11.220 2.747 2.485) 11.815 3.367 ( 2.378 -0.084 -0.068) 2.381 3.802 ( 5.003 3.628 1.240) 6.304 4.486 ( 1.779 6.495 -6.890) 9.634 4.964 ( 0.607 -2.011 -4.638) 5.091 5.647 ( -11.171 2.265 -0.888) 11.433 5.827 ( -10.027 -0.058 2.626) 10.365 6.101 ( -9.886 -0.302 -0.770) 9.921 6.365 ( -15.499 1.415 5.858) 16.629 6.710 ( 3.629 -2.554 -5.224) 6.854 6.921 ( -1.442 -15.236 2.437) 15.497 7.467 ( 7.522 2.042 -10.567) 13.130 8.024 ( 13.327 -16.396 4.268) 21.556 9.502 ( -14.441 -5.959 10.064) 18.583 9.633 ( -13.446 4.254 8.470) 16.451 9.984 ( -14.210 15.150 6.367) 21.726 10.168 ( -18.174 -8.020 -3.633) 20.194 10.537 ( 10.170 -3.066 -0.871) 10.658 11.408 ( 7.305 11.908 -0.529) 13.981 11.610 ( 11.444 6.581 -11.470) 17.489 12.442 ( 19.854 2.596 4.509) 20.525 13.199 ( -9.063 -10.105 5.523) 14.654 13.541 ( -2.664 -2.515 -0.678) 3.726 13.589 ( -2.687 1.352 1.744) 3.477 14.548 ( 15.068 11.912 -1.513) 19.268 17.601 ( -13.997 -0.293 -10.225) 17.336 18.775 ( 9.617 0.473 5.419) 11.049 19.352 ( 7.367 7.963 -0.882) 10.884 19.871 ( -3.217 -0.177 3.131) 4.493 20.685 ( -12.572 -10.741 -10.881) 19.795 22.878 ( 19.756 -8.380 -7.345) 22.682 23.544 ( -4.877 14.147 6.463) 16.300 24.151 ( 8.747 -0.616 10.611) 13.765 ======================= Grid point 694 (351/432) ======================= q-point: (-0.09 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -11.048 -3.801 3.068) 12.080 2.817 ( -15.990 -2.566 -0.568) 16.204 3.148 ( 4.779 5.804 0.001) 7.518 3.361 ( 4.190 1.281 1.126) 4.524 3.471 ( 4.723 -1.622 4.716) 6.869 3.839 ( 7.535 8.096 -0.667) 11.080 4.398 ( 6.230 5.078 -7.606) 11.065 4.912 ( -6.672 -4.486 -2.431) 8.400 5.458 ( -9.095 8.274 -1.178) 12.351 5.680 ( -12.298 3.266 0.632) 12.740 5.958 ( -10.574 -1.602 -1.708) 10.830 6.272 ( -11.996 -1.156 9.241) 15.187 6.685 ( -0.305 -3.196 -6.779) 7.501 7.067 ( 1.708 -10.358 1.590) 10.618 7.437 ( 9.186 0.442 -10.138) 13.688 8.293 ( 4.144 -14.626 -1.109) 15.242 9.341 ( -19.817 4.943 3.992) 20.810 9.639 ( -5.747 -2.985 11.226) 12.960 9.781 ( -8.522 10.403 5.313) 14.460 9.990 ( -14.012 -7.040 -1.839) 15.788 10.667 ( 5.356 -2.717 -0.002) 6.006 11.440 ( 4.248 6.570 7.663) 10.951 11.595 ( 16.877 -0.092 -18.580) 25.101 12.702 ( 14.161 1.393 2.373) 14.426 13.208 ( -4.725 -3.870 1.128) 6.210 13.517 ( -3.525 -2.338 -1.105) 4.372 13.608 ( -0.122 0.512 7.495) 7.513 14.577 ( 12.811 15.173 -4.987) 20.475 17.387 ( -10.593 -2.091 -0.009) 10.797 18.917 ( 7.967 -2.785 -3.450) 9.118 19.385 ( 8.674 9.608 1.779) 13.066 19.727 ( -15.777 3.891 2.291) 16.411 20.640 ( 3.030 -11.182 -6.827) 13.447 23.062 ( 8.499 -9.172 -8.927) 15.364 23.453 ( -0.779 12.454 7.161) 14.388 24.408 ( 9.984 2.058 12.417) 16.065 ======================= Grid point 701 (352/432) ======================= q-point: (-0.45 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 9.909 0.000 5.336) 11.254 2.879 ( -5.681 -0.000 3.004) 6.426 3.042 ( 2.327 0.000 3.735) 4.400 3.133 ( 2.581 0.000 -9.223) 9.577 3.563 ( 6.493 0.000 7.826) 10.169 3.650 ( -15.754 -0.000 -5.975) 16.849 4.589 ( 3.230 0.000 2.951) 4.376 4.962 ( 10.202 0.000 -5.414) 11.549 5.778 ( -6.040 -0.000 4.240) 7.380 5.781 ( -1.481 -0.000 6.754) 6.915 6.410 ( -5.429 -0.000 -2.224) 5.867 6.501 ( 4.096 0.000 2.675) 4.892 6.713 ( -7.262 -0.000 7.396) 10.365 6.745 ( -12.485 -0.000 2.826) 12.801 7.148 ( 10.532 0.000 10.659) 14.985 7.458 ( 13.199 0.000 -10.045) 16.586 9.527 ( -17.897 -0.000 14.612) 23.105 9.765 ( -24.866 -0.000 28.487) 37.813 9.916 ( 9.725 0.000 12.099) 15.523 10.687 ( -11.635 -0.000 -17.304) 20.852 10.690 ( 2.832 0.000 -5.049) 5.789 11.395 ( 19.052 0.000 -14.538) 23.966 11.959 ( -2.467 -0.000 -1.251) 2.766 12.161 ( 8.067 0.000 -10.536) 13.269 13.081 ( -9.553 -0.000 3.332) 10.117 13.440 ( 4.009 0.000 -6.129) 7.323 13.860 ( -16.756 -0.000 4.612) 17.379 14.294 ( 15.397 0.000 4.988) 16.184 18.298 ( 13.773 0.000 9.257) 16.595 18.298 ( -12.765 -0.000 -7.570) 14.841 19.243 ( 7.167 0.000 4.801) 8.627 19.588 ( 5.362 0.000 -9.586) 10.984 21.432 ( -25.972 -0.000 -8.223) 27.242 22.248 ( 34.167 0.000 -5.649) 34.631 23.778 ( -5.141 -0.000 4.766) 7.010 23.889 ( -4.031 -0.000 -0.326) 4.044 ======================= Grid point 702 (353/432) ======================= q-point: (-0.36 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -9.989 1.058 5.561) 11.481 3.034 ( 10.321 -1.008 1.920) 10.546 3.083 ( -4.395 -0.391 1.589) 4.690 3.114 ( 11.067 -0.280 -7.905) 13.603 3.433 ( -4.985 1.547 -1.679) 5.483 3.724 ( 3.350 -0.573 7.384) 8.129 4.622 ( 1.074 1.183 -1.332) 2.080 4.984 ( 5.977 0.086 -8.560) 10.441 5.735 ( -7.963 -2.191 2.226) 8.554 5.818 ( -4.244 -1.735 5.017) 6.797 6.272 ( -9.072 0.995 -3.196) 9.670 6.567 ( -4.864 -0.543 2.141) 5.342 6.594 ( -5.861 -0.548 0.506) 5.909 6.710 ( -6.394 -3.279 4.204) 8.325 7.445 ( 15.608 -4.163 4.923) 16.887 7.520 ( 13.141 -0.108 -8.166) 15.472 9.473 ( -16.467 -0.758 14.109) 21.698 9.747 ( -23.929 0.035 22.432) 32.799 10.165 ( 6.448 1.460 12.122) 13.808 10.328 ( -17.287 -2.274 -11.587) 20.935 10.583 ( -2.449 3.063 -8.995) 9.813 11.471 ( 20.214 1.164 -17.177) 26.552 11.907 ( -1.991 9.769 3.330) 10.512 12.245 ( 15.843 0.678 -1.619) 15.940 13.018 ( -9.606 -4.438 5.434) 11.895 13.429 ( 0.720 -5.123 -4.624) 6.939 13.722 ( -11.057 1.976 4.456) 12.083 14.531 ( 15.653 3.282 2.907) 16.255 17.962 ( -15.789 0.510 -14.613) 21.520 18.578 ( 11.275 0.579 9.809) 14.956 19.428 ( 9.533 5.539 5.500) 12.321 19.619 ( 12.104 -6.716 -5.757) 14.992 20.970 ( -28.035 -1.416 -10.600) 30.005 22.565 ( 26.490 -1.231 -8.819) 27.947 23.793 ( -1.916 7.770 7.242) 10.793 23.900 ( 0.984 -4.752 6.197) 7.871 ======================= Grid point 703 (354/432) ======================= q-point: (-0.27 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -11.286 -0.994 6.971) 13.303 2.914 ( -17.015 -5.020 -2.151) 17.870 3.146 ( 9.624 1.873 -3.958) 10.573 3.272 ( 12.497 -2.630 0.746) 12.793 3.443 ( 5.983 6.492 2.771) 9.253 3.841 ( 3.865 1.080 5.701) 6.972 4.569 ( 0.940 3.323 -6.090) 7.001 4.927 ( -0.459 -1.858 -8.376) 8.592 5.659 ( -6.578 -0.635 -0.853) 6.663 5.807 ( -7.947 -1.827 3.457) 8.857 6.113 ( -10.445 1.246 -0.167) 10.521 6.404 ( -14.438 2.858 3.259) 15.075 6.659 ( 6.496 -5.158 -5.098) 9.736 6.704 ( -5.477 -7.285 2.730) 9.514 7.530 ( 10.609 4.372 -8.805) 14.463 7.785 ( 16.214 -11.454 0.741) 19.866 9.416 ( -16.732 -3.808 8.007) 18.936 9.669 ( -18.135 0.757 14.309) 23.113 10.026 ( -21.173 -4.653 0.418) 21.683 10.248 ( -11.336 11.001 8.020) 17.716 10.508 ( 12.347 -0.711 -5.698) 13.617 11.503 ( 17.882 1.769 -17.147) 24.838 11.811 ( -4.634 13.106 4.387) 14.577 12.481 ( 18.544 1.099 2.702) 18.772 13.040 ( -6.577 -6.708 7.529) 12.039 13.443 ( -0.202 -6.871 -2.342) 7.262 13.640 ( -5.926 2.743 3.826) 7.568 14.704 ( 14.655 6.401 -0.382) 15.996 17.597 ( -14.594 -0.147 -11.888) 18.824 18.783 ( 9.532 0.420 2.505) 9.864 19.510 ( 11.641 10.466 -0.094) 15.654 19.825 ( 6.316 -5.501 3.329) 9.013 20.535 ( -21.610 -6.522 -10.014) 24.694 22.765 ( 18.368 -4.824 -10.410) 21.657 23.760 ( -2.691 10.980 6.657) 13.119 24.118 ( 8.449 -3.139 12.390) 15.321 ======================= Grid point 704 (355/432) ======================= q-point: (-0.18 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -16.164 -5.016 6.889) 18.272 2.728 ( -15.307 -5.878 -2.112) 16.532 3.197 ( 4.061 0.689 -0.265) 4.128 3.443 ( 7.157 -1.533 3.391) 8.066 3.478 ( 7.004 10.400 0.322) 12.543 3.946 ( 7.050 4.258 3.788) 9.065 4.478 ( 4.573 4.203 -8.988) 10.925 4.827 ( -7.022 -4.574 -4.071) 9.317 5.558 ( -3.346 3.111 -3.946) 6.037 5.715 ( -10.774 0.876 1.395) 10.899 5.966 ( -10.190 2.148 -0.319) 10.419 6.265 ( -12.683 0.373 7.002) 14.492 6.634 ( -1.243 -2.673 -6.562) 7.194 6.842 ( 5.749 -13.580 1.024) 14.782 7.512 ( 9.793 6.778 -8.324) 14.530 8.056 ( 10.488 -13.455 -3.842) 17.487 9.282 ( -17.890 -8.204 1.838) 19.767 9.642 ( -9.355 1.360 12.522) 15.690 9.849 ( -22.104 -6.953 8.406) 24.649 10.022 ( -10.041 15.863 1.981) 18.878 10.653 ( 10.324 -0.567 -0.515) 10.353 11.530 ( 14.655 1.823 -11.494) 18.714 11.683 ( -3.014 10.763 -0.085) 11.178 12.724 ( 14.420 0.789 1.871) 14.563 13.101 ( -5.395 -6.434 5.557) 10.069 13.469 ( -0.292 -4.254 -1.864) 4.654 13.619 ( -1.853 0.812 4.584) 5.011 14.791 ( 13.269 9.893 -4.320) 17.106 17.357 ( -10.402 -1.428 -1.006) 10.548 18.877 ( 9.621 -1.918 -8.878) 13.232 19.573 ( 11.228 12.177 1.246) 16.610 19.786 ( -16.057 3.403 2.142) 16.553 20.429 ( 2.057 -13.802 -3.080) 14.290 22.903 ( 13.362 -8.164 -10.323) 18.755 23.691 ( -4.073 13.821 6.811) 15.937 24.414 ( 10.583 -1.115 12.820) 16.661 ======================= Grid point 705 (356/432) ======================= q-point: (-0.09 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -19.204 -2.617 -5.483) 20.142 2.600 ( -17.463 -9.103 7.615) 21.114 3.246 ( 1.763 0.919 3.066) 3.654 3.461 ( 5.294 8.787 -1.839) 10.422 3.576 ( 4.300 -1.440 5.126) 6.844 4.008 ( 4.342 9.903 2.176) 11.030 4.434 ( 7.384 2.571 -6.674) 10.280 4.745 ( -7.753 -3.897 0.556) 8.695 5.406 ( -4.849 6.451 -7.141) 10.776 5.580 ( -7.905 3.068 1.521) 8.615 5.827 ( -7.597 1.370 1.074) 7.794 6.234 ( -9.290 -1.707 10.489) 14.115 6.544 ( -2.707 -3.109 -8.641) 9.574 7.039 ( 4.690 -10.084 0.894) 11.157 7.501 ( 12.028 5.538 -8.032) 15.487 8.179 ( 0.962 -10.622 -4.191) 11.460 9.153 ( -18.222 -3.504 6.282) 19.591 9.666 ( -4.548 -2.320 7.032) 8.690 9.770 ( -15.839 -6.891 9.779) 19.849 9.837 ( -3.418 9.305 1.956) 10.104 10.727 ( 3.503 3.829 -0.825) 5.255 11.561 ( -2.698 4.459 -1.005) 5.308 11.600 ( 16.165 -0.682 -11.649) 19.936 12.852 ( 5.379 1.371 -0.998) 5.640 13.124 ( -4.174 -4.732 1.251) 6.433 13.446 ( -2.762 -0.868 -2.139) 3.600 13.700 ( 2.706 -3.822 5.793) 7.449 14.786 ( 11.992 13.273 -7.682) 19.468 17.340 ( -4.241 -0.597 12.165) 12.897 18.847 ( 5.803 -4.379 -18.534) 19.909 19.595 ( -3.051 7.782 5.435) 9.971 19.633 ( 2.813 5.258 0.110) 5.964 20.572 ( 3.948 -9.654 0.048) 10.430 22.994 ( 7.643 -4.938 -9.063) 12.843 23.598 ( -3.430 11.085 5.648) 12.905 24.676 ( 7.555 0.390 10.220) 12.715 ======================= Grid point 713 (357/432) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -11.028 -0.000 6.427) 12.765 2.865 ( -20.077 -0.000 -2.140) 20.191 3.166 ( 9.945 0.000 -6.300) 11.773 3.242 ( 12.849 0.000 2.270) 13.048 3.507 ( 9.270 0.000 2.695) 9.654 3.847 ( 2.318 0.000 7.709) 8.050 4.597 ( 0.500 0.000 -5.401) 5.424 4.911 ( -0.436 -0.000 -9.815) 9.825 5.649 ( -5.134 -0.000 -0.653) 5.175 5.788 ( -6.809 -0.000 3.538) 7.673 6.126 ( -10.808 -0.000 0.325) 10.813 6.437 ( -13.429 -0.000 0.808) 13.453 6.584 ( 2.856 0.000 -0.360) 2.879 6.666 ( -3.127 -0.000 -0.310) 3.142 7.586 ( 11.788 0.000 -7.427) 13.933 7.668 ( 17.060 0.000 -1.661) 17.141 9.383 ( -18.070 -0.000 7.117) 19.421 9.673 ( -19.882 -0.000 16.239) 25.671 9.987 ( -22.226 -0.000 1.499) 22.276 10.344 ( -7.406 -0.000 11.004) 13.264 10.506 ( 11.059 0.000 -9.195) 14.382 11.516 ( 19.037 0.000 -19.044) 26.927 11.938 ( -9.118 -0.000 5.908) 10.865 12.479 ( 17.469 0.000 2.562) 17.656 12.993 ( -3.035 -0.000 7.499) 8.090 13.371 ( -0.566 -0.000 -1.656) 1.750 13.664 ( -6.752 -0.000 3.799) 7.747 14.758 ( 14.434 0.000 -0.048) 14.434 17.596 ( -14.770 -0.000 -12.470) 19.331 18.787 ( 9.575 0.000 1.417) 9.679 19.669 ( 13.827 0.000 -5.253) 14.791 19.708 ( 10.603 0.000 8.969) 13.888 20.480 ( -26.339 -0.000 -9.980) 28.167 22.723 ( 17.939 0.000 -11.265) 21.183 23.870 ( -2.923 -0.000 5.268) 6.025 24.075 ( 9.329 0.000 14.357) 17.122 ======================= Grid point 714 (358/432) ======================= q-point: (-0.27 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -21.283 -3.823 0.296) 21.625 2.672 ( -13.286 -1.365 5.409) 14.410 3.202 ( 3.538 0.129 -2.111) 4.122 3.421 ( 9.247 -0.823 2.736) 9.678 3.631 ( 9.375 5.898 -0.289) 11.080 3.981 ( 5.558 0.366 7.372) 9.240 4.529 ( 2.954 1.581 -7.904) 8.585 4.775 ( -5.631 -1.530 -6.195) 8.510 5.577 ( -1.193 0.052 -5.562) 5.689 5.719 ( -8.538 -0.017 1.732) 8.712 6.001 ( -10.153 1.364 1.907) 10.420 6.278 ( -12.896 0.743 3.885) 13.489 6.602 ( -3.001 -1.026 -4.710) 5.678 6.672 ( 7.328 -5.626 0.172) 9.240 7.630 ( 10.936 6.295 -5.847) 13.907 7.859 ( 14.062 -8.804 -7.339) 18.142 9.168 ( -18.241 -3.969 -2.245) 18.802 9.654 ( -13.710 0.167 17.633) 22.336 9.776 ( -24.683 -1.914 11.793) 27.422 10.232 ( -9.199 7.195 0.092) 11.679 10.643 ( 12.375 -0.392 -0.870) 12.412 11.548 ( 18.053 0.785 -15.791) 23.998 11.833 ( -12.283 5.037 5.539) 14.385 12.718 ( 13.499 -0.961 1.710) 13.641 13.052 ( -1.146 0.289 4.594) 4.744 13.380 ( -0.383 -4.621 0.511) 4.665 13.633 ( -3.376 0.598 2.810) 4.432 14.903 ( 13.488 3.361 -4.065) 14.482 17.341 ( -10.296 -0.487 -1.600) 10.431 18.855 ( 10.234 -0.683 -12.306) 16.020 19.736 ( 3.579 4.578 -0.375) 5.823 19.877 ( -1.635 8.521 5.025) 10.027 20.196 ( -3.460 -12.427 -2.662) 13.172 22.808 ( 14.085 -2.955 -11.045) 18.142 23.871 ( -4.271 6.408 7.469) 10.728 24.385 ( 11.507 -1.640 12.402) 16.997 ======================= Grid point 715 (359/432) ======================= q-point: (-0.18 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -20.119 -8.313 2.731) 21.939 2.501 ( -21.132 -2.414 1.255) 21.307 3.236 ( 1.299 -0.828 3.014) 3.385 3.555 ( 5.462 -0.877 2.498) 6.070 3.632 ( 5.787 9.066 -4.473) 11.649 4.132 ( 4.502 4.484 8.164) 10.346 4.484 ( 6.496 2.940 -7.039) 10.020 4.688 ( -3.575 -2.660 -0.059) 4.456 5.455 ( -3.139 0.547 -11.594) 12.024 5.620 ( -6.313 1.611 0.305) 6.522 5.875 ( -8.428 3.203 2.168) 9.273 6.216 ( -9.364 -0.433 10.546) 14.111 6.503 ( -2.784 -1.645 -7.480) 8.149 6.855 ( 9.070 -9.666 0.246) 13.257 7.636 ( 11.556 9.570 -6.639) 16.407 7.999 ( 7.192 -10.826 -6.469) 14.519 9.008 ( -14.516 -9.985 2.316) 17.770 9.619 ( -14.094 -2.539 3.973) 14.862 9.708 ( -18.062 -0.732 24.090) 30.118 10.037 ( -6.451 11.175 -1.408) 12.980 10.766 ( 8.893 0.530 -2.291) 9.198 11.611 ( 16.954 1.863 -10.926) 20.256 11.678 ( -11.105 6.932 2.239) 13.281 12.854 ( 4.441 -0.515 -0.765) 4.536 13.051 ( -3.035 -2.977 -0.210) 4.257 13.413 ( -0.717 -3.446 -1.263) 3.739 13.644 ( -0.420 -2.076 3.010) 3.681 14.957 ( 12.760 6.889 -8.567) 16.842 17.333 ( -2.151 -0.248 13.723) 13.893 18.780 ( 6.945 -3.157 -22.305) 23.573 19.639 ( -9.252 0.990 2.760) 9.706 19.841 ( 6.918 15.395 2.051) 17.002 20.374 ( 5.038 -13.804 2.032) 14.834 22.897 ( 13.278 -4.971 -10.069) 17.389 23.814 ( -6.385 11.942 7.652) 15.554 24.654 ( 8.254 -2.406 7.871) 11.656 ======================= Grid point 716 (360/432) ======================= q-point: (-0.09 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -23.481 -2.955 -1.492) 23.713 2.357 ( -18.257 -13.093 8.579) 24.049 3.308 ( 2.349 -0.048 3.535) 4.245 3.551 ( 2.632 7.141 -4.099) 8.644 3.657 ( 4.975 -2.615 -0.184) 5.623 4.139 ( -6.785 11.296 6.792) 14.824 4.454 ( -1.230 4.157 -3.207) 5.393 4.751 ( 9.521 0.185 2.516) 9.849 5.241 ( -6.340 -0.712 -10.960) 12.682 5.562 ( -0.514 1.523 0.224) 1.623 5.822 ( -3.886 3.098 7.176) 8.729 6.258 ( -6.031 0.123 12.535) 13.911 6.398 ( -0.751 -1.053 -7.831) 7.937 7.020 ( 3.418 -7.857 -0.981) 8.624 7.613 ( 10.774 6.948 -11.070) 16.938 8.105 ( 2.701 -5.701 2.778) 6.893 8.978 ( -14.693 -8.412 10.162) 19.746 9.559 ( -4.476 -10.044 -1.426) 11.089 9.758 ( -15.374 2.262 21.438) 26.478 9.885 ( -0.970 6.624 -0.768) 6.739 10.784 ( 1.480 6.385 -3.379) 7.374 11.483 ( -6.191 2.997 -6.503) 9.466 11.700 ( 13.049 1.859 -5.352) 14.226 12.832 ( -4.712 -1.610 -1.633) 5.241 13.056 ( -0.318 -5.520 -1.909) 5.850 13.378 ( -3.400 0.067 -1.751) 3.825 13.727 ( 0.841 -7.163 3.174) 7.880 14.922 ( 11.604 9.787 -12.720) 19.805 17.565 ( 5.332 4.044 22.295) 23.277 18.613 ( 3.594 -5.749 -22.174) 23.187 19.641 ( 5.258 -0.154 2.149) 5.683 19.794 ( 3.055 12.951 -1.379) 13.378 20.534 ( 0.308 -10.312 1.614) 10.442 22.986 ( 10.766 -1.555 -7.955) 13.476 23.692 ( -7.091 12.560 5.590) 15.469 24.802 ( 0.930 -3.387 2.567) 4.351 ======================= Grid point 725 (361/432) ======================= q-point: (-0.27 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -20.840 -0.000 3.766) 21.178 2.483 ( -22.276 -0.000 0.836) 22.291 3.229 ( 1.475 0.000 2.693) 3.071 3.547 ( 6.079 0.000 1.922) 6.376 3.717 ( 5.234 0.000 -6.409) 8.275 4.166 ( 5.274 0.000 10.612) 11.850 4.513 ( 5.754 0.000 -5.650) 8.064 4.664 ( -2.013 -0.000 -1.098) 2.292 5.456 ( -2.806 -0.000 -12.896) 13.198 5.634 ( -5.291 -0.000 -0.638) 5.330 5.906 ( -8.708 -0.000 2.469) 9.051 6.214 ( -9.286 -0.000 10.724) 14.186 6.489 ( -3.122 -0.000 -6.568) 7.273 6.767 ( 10.028 0.000 -0.287) 10.032 7.785 ( 11.488 0.000 1.204) 11.551 7.840 ( 10.142 0.000 -14.633) 17.803 8.914 ( -14.312 -0.000 0.101) 14.312 9.597 ( -20.282 -0.000 9.209) 22.275 9.705 ( -16.398 -0.000 23.989) 29.058 10.140 ( -6.240 -0.000 -3.626) 7.217 10.766 ( 9.802 0.000 -2.894) 10.221 11.637 ( 18.010 0.000 -10.291) 20.743 11.737 ( -14.235 -0.000 4.869) 15.045 12.853 ( 6.306 0.000 -0.110) 6.307 13.025 ( -4.190 -0.000 -5.052) 6.563 13.370 ( -1.129 -0.000 2.276) 2.540 13.630 ( -1.007 -0.000 1.321) 1.661 15.015 ( 13.061 0.000 -8.924) 15.819 17.331 ( -1.372 -0.000 14.347) 14.412 18.752 ( 7.184 0.000 -23.799) 24.860 19.647 ( -9.336 -0.000 2.360) 9.630 20.081 ( 4.937 0.000 4.038) 6.378 20.148 ( 6.947 0.000 0.919) 7.008 22.853 ( 14.268 0.000 -10.255) 17.571 23.927 ( -6.468 -0.000 9.142) 11.198 24.626 ( 8.730 0.000 6.128) 10.666 ======================= Grid point 726 (362/432) ======================= q-point: (-0.18 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -24.521 -0.116 2.021) 24.604 2.174 ( -22.023 -7.438 5.914) 23.985 3.308 ( 3.567 0.015 4.283) 5.574 3.614 ( 1.422 -0.242 0.176) 1.453 3.656 ( 4.782 2.433 -10.310) 11.623 4.274 ( -9.189 4.200 12.162) 15.811 4.520 ( 2.387 2.791 -2.077) 4.219 4.745 ( 13.359 -0.510 1.193) 13.422 5.209 ( -7.477 -1.733 -15.098) 16.937 5.578 ( 0.092 0.437 -2.659) 2.696 5.869 ( -5.087 1.801 8.537) 10.099 6.270 ( -4.898 0.873 14.248) 15.092 6.388 ( -0.141 -0.264 -6.612) 6.619 6.896 ( 7.775 -4.936 -2.377) 9.511 7.731 ( 6.387 5.348 -14.721) 16.914 8.019 ( 11.257 -3.801 6.441) 13.514 8.818 ( -11.435 -6.978 7.002) 15.115 9.463 ( -13.757 -2.223 4.783) 14.733 9.779 ( -15.861 0.636 25.315) 29.880 10.000 ( -3.660 4.625 -4.880) 7.655 10.830 ( 7.905 0.359 -5.871) 9.853 11.558 ( -16.292 3.285 -0.460) 16.627 11.757 ( 16.245 3.419 -6.088) 17.682 12.829 ( -5.336 2.841 -3.383) 6.927 12.935 ( -1.894 -8.189 -4.400) 9.487 13.371 ( -2.777 -0.546 0.816) 2.945 13.645 ( 0.255 -2.311 0.781) 2.453 15.032 ( 12.225 3.320 -14.138) 18.983 17.616 ( 9.088 1.726 24.775) 26.446 18.538 ( 3.008 -2.587 -23.909) 24.236 19.638 ( 4.208 -0.143 1.479) 4.462 20.042 ( 1.632 15.315 -0.482) 15.409 20.324 ( 1.484 -13.955 1.428) 14.106 22.945 ( 15.607 -1.832 -8.985) 18.102 23.900 ( -8.749 8.637 8.863) 15.155 24.731 ( 0.877 -3.560 -1.653) 4.022 ======================= Grid point 727 (363/432) ======================= q-point: (-0.09 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -18.571 -4.428 8.675) 20.970 2.153 ( -14.708 -12.162 13.017) 23.102 3.392 ( 4.977 1.906 1.077) 5.437 3.560 ( -1.199 3.173 -3.209) 4.669 3.645 ( 5.747 -4.533 -7.762) 10.669 4.156 ( -18.909 8.094 9.890) 22.823 4.428 ( -4.241 9.570 -3.499) 11.037 4.829 ( -0.238 -5.167 -9.953) 11.217 5.194 ( 15.499 0.263 5.968) 16.610 5.566 ( 2.276 -1.540 -2.498) 3.714 5.924 ( -3.031 3.197 12.758) 13.497 6.344 ( 3.057 1.706 -1.100) 3.670 6.394 ( 0.480 2.576 12.260) 12.537 6.970 ( 0.832 -5.219 -2.790) 5.976 7.572 ( 1.786 2.153 -15.712) 15.959 8.266 ( 8.699 4.010 11.529) 14.989 8.886 ( -9.627 -10.761 15.569) 21.234 9.402 ( -4.957 -8.143 -1.536) 9.656 9.839 ( -13.275 5.618 16.757) 22.104 9.916 ( 1.133 0.195 3.277) 3.473 10.781 ( -2.517 8.708 -6.814) 11.340 11.291 ( -11.550 -2.906 -6.945) 13.787 11.842 ( 11.844 5.379 -5.000) 13.936 12.724 ( -7.037 -0.910 0.117) 7.097 12.950 ( -1.032 -10.252 -2.560) 10.617 13.325 ( -4.253 0.875 0.061) 4.343 13.693 ( -0.235 -6.279 0.810) 6.335 14.951 ( 10.293 6.033 -18.280) 21.829 18.004 ( 11.695 9.660 18.313) 23.779 18.397 ( 7.961 -7.791 -13.649) 17.617 19.779 ( 15.018 -0.756 -0.603) 15.049 19.870 ( -2.924 14.077 -5.799) 15.503 20.426 ( -4.441 -12.325 0.633) 13.117 23.063 ( 14.172 0.654 -6.562) 15.631 23.756 ( -10.330 14.467 5.419) 18.584 24.676 ( -9.354 -8.706 -6.437) 14.308 ======================= Grid point 737 (364/432) ======================= q-point: (-0.18 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -21.110 -0.000 8.598) 22.794 2.038 ( -14.692 -0.000 13.708) 20.094 3.413 ( 6.004 0.000 2.426) 6.476 3.585 ( -3.505 -0.000 -1.963) 4.017 3.605 ( 7.458 0.000 -12.722) 14.747 4.226 ( -21.038 -0.000 11.206) 23.836 4.538 ( -1.750 -0.000 1.601) 2.372 4.753 ( -3.003 -0.000 -17.408) 17.665 5.197 ( 19.548 0.000 7.398) 20.901 5.552 ( 1.617 0.000 -4.493) 4.775 5.954 ( -4.252 -0.000 13.983) 14.615 6.360 ( 6.247 0.000 -4.452) 7.671 6.421 ( -1.335 -0.000 17.503) 17.553 6.913 ( 4.449 0.000 -4.883) 6.606 7.591 ( -0.813 -0.000 -15.799) 15.820 8.315 ( 14.669 0.000 13.239) 19.760 8.765 ( -9.873 -0.000 13.207) 16.489 9.339 ( -9.054 -0.000 1.312) 9.148 9.890 ( -14.405 -0.000 27.268) 30.839 9.921 ( -0.476 -0.000 -6.520) 6.537 10.851 ( 7.946 0.000 -8.755) 11.824 11.276 ( -23.635 -0.000 -5.218) 24.204 11.904 ( 12.396 0.000 -5.328) 13.493 12.751 ( -4.247 -0.000 1.739) 4.589 12.805 ( -4.809 -0.000 -3.612) 6.015 13.333 ( -4.205 -0.000 0.238) 4.211 13.640 ( 0.579 0.000 -0.569) 0.812 15.002 ( 10.677 0.000 -19.120) 21.899 18.112 ( 18.486 0.000 25.356) 31.380 18.303 ( 2.781 0.000 -20.000) 20.192 19.770 ( 15.850 0.000 -1.402) 15.912 20.066 ( -4.936 -0.000 -6.944) 8.519 20.249 ( -3.827 -0.000 2.389) 4.512 23.059 ( 17.251 0.000 -7.569) 18.838 23.920 ( -10.625 -0.000 8.965) 13.902 24.574 ( -10.751 -0.000 -10.703) 15.171 ======================= Grid point 738 (365/432) ======================= q-point: (-0.09 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -3.217 -3.193 19.513) 20.032 2.096 ( -9.506 -6.639 18.418) 21.764 3.470 ( -1.575 3.154 -3.759) 5.154 3.506 ( 2.423 1.492 -2.408) 3.728 3.595 ( 9.504 -5.095 -9.904) 14.641 4.027 ( -23.698 3.140 10.092) 25.948 4.421 ( -2.570 12.351 -7.505) 14.679 4.621 ( -3.106 -10.991 -4.586) 12.308 5.500 ( 3.130 3.262 -0.896) 4.609 5.618 ( 20.812 -2.874 7.050) 22.160 6.057 ( -5.536 1.204 15.302) 16.317 6.430 ( 10.834 1.971 -2.356) 11.262 6.625 ( 1.521 3.709 18.915) 19.335 6.898 ( -0.813 -2.777 -3.610) 4.627 7.395 ( -2.615 -0.262 -12.587) 12.859 8.600 ( 7.803 11.596 14.445) 20.100 8.901 ( -5.272 -12.776 19.992) 24.305 9.266 ( -4.905 -4.644 -1.072) 6.839 9.852 ( 1.062 1.805 -4.053) 4.562 10.038 ( -8.181 -0.335 23.104) 24.511 10.714 ( -11.315 17.039 -7.506) 21.788 10.998 ( -6.967 -15.110 -7.367) 18.197 11.916 ( 4.033 3.310 -9.433) 10.780 12.664 ( -5.018 5.306 0.123) 7.304 12.854 ( -0.338 -11.587 5.784) 12.954 13.266 ( -3.865 0.201 -2.135) 4.420 13.649 ( -0.166 -3.130 -0.719) 3.216 14.876 ( 8.365 2.817 -21.483) 23.225 18.134 ( 4.781 2.504 -14.577) 15.544 18.648 ( 22.787 -0.150 17.413) 28.679 19.793 ( -10.131 11.100 -12.161) 19.332 19.994 ( 20.963 -0.936 -5.623) 21.724 20.266 ( -6.202 -9.965 5.684) 13.041 23.198 ( 15.297 1.300 -5.452) 16.292 23.786 ( -13.116 15.624 4.089) 20.805 24.276 ( -20.275 -13.940 -11.547) 27.179 ======================= Grid point 749 (366/432) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.593 0.000 20.056) 20.575 2.218 ( -4.458 -0.000 22.756) 23.189 3.340 ( -6.836 -0.000 -5.436) 8.734 3.547 ( 8.385 0.000 -11.855) 14.521 3.608 ( 9.088 0.000 -2.768) 9.500 3.879 ( -18.366 -0.000 10.013) 20.918 4.334 ( 0.134 0.000 -13.346) 13.347 4.520 ( -3.628 -0.000 2.124) 4.204 5.505 ( -0.715 -0.000 3.135) 3.215 5.980 ( 19.068 0.000 5.464) 19.836 6.149 ( -6.949 -0.000 14.412) 15.999 6.570 ( 11.514 0.000 -1.602) 11.625 6.817 ( -1.521 -0.000 -4.798) 5.033 6.910 ( 1.909 0.000 21.798) 21.881 7.260 ( -0.981 -0.000 -4.956) 5.052 8.969 ( -9.803 -0.000 25.149) 26.992 8.977 ( 9.923 0.000 12.483) 15.946 9.188 ( -3.596 -0.000 1.696) 3.976 9.826 ( 4.892 0.000 -8.297) 9.632 10.145 ( -17.416 -0.000 19.623) 26.237 10.623 ( -11.662 -0.000 6.675) 13.437 10.775 ( 6.205 0.000 -14.229) 15.523 11.774 ( -4.049 -0.000 -15.028) 15.564 12.631 ( -5.173 -0.000 -2.093) 5.580 12.909 ( -0.159 -0.000 11.802) 11.803 13.196 ( 1.324 0.000 -5.424) 5.583 13.624 ( -0.499 -0.000 -0.523) 0.722 14.732 ( 6.083 0.000 -21.068) 21.929 18.059 ( 7.405 0.000 -12.649) 14.657 19.124 ( 23.086 0.000 11.054) 25.596 19.492 ( -13.904 -0.000 -19.501) 23.950 19.992 ( -6.970 -0.000 -3.052) 7.609 20.456 ( 22.767 0.000 8.918) 24.451 23.330 ( 9.807 0.000 -4.099) 10.629 23.693 ( -25.465 -0.000 -15.580) 29.853 23.780 ( -12.764 -0.000 5.445) 13.876 ======================= Grid point 750 (367/432) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 2.017 0.000 9.537) 9.748 2.940 ( -1.469 -0.000 -6.908) 7.062 3.160 ( 1.845 0.000 12.539) 12.674 3.325 ( -2.861 -0.000 -8.897) 9.345 3.356 ( 2.845 0.000 4.209) 5.080 3.568 ( -1.795 -0.000 -10.833) 10.981 4.304 ( 9.545 0.000 0.154) 9.546 4.318 ( -8.971 -0.000 -1.526) 9.099 5.979 ( 1.971 0.000 10.280) 10.467 6.150 ( -1.227 -0.000 -6.423) 6.540 6.520 ( -7.351 -0.000 9.795) 12.247 6.650 ( -3.476 -0.000 -0.468) 3.508 6.789 ( 5.703 0.000 1.436) 5.881 6.922 ( 2.210 0.000 -8.447) 8.731 8.346 ( 10.488 0.000 27.839) 29.749 8.844 ( -11.976 -0.000 -20.678) 23.895 9.492 ( -3.635 -0.000 7.729) 8.541 9.646 ( 6.368 0.000 -6.634) 9.196 9.683 ( -11.114 -0.000 22.033) 24.677 10.120 ( 7.794 0.000 -20.831) 22.241 10.529 ( -7.160 -0.000 24.092) 25.134 10.976 ( 4.896 0.000 -19.884) 20.478 11.495 ( 13.376 0.000 19.004) 23.239 11.864 ( -13.362 -0.000 -16.825) 21.485 13.148 ( -7.487 -0.000 2.180) 7.798 13.201 ( 10.498 0.000 -3.463) 11.055 13.848 ( -2.128 -0.000 12.238) 12.422 14.119 ( 2.718 0.000 -13.922) 14.185 18.068 ( 13.742 0.000 3.231) 14.116 18.239 ( -15.224 -0.000 -13.410) 20.288 19.742 ( -13.829 -0.000 2.726) 14.095 19.771 ( 12.241 0.000 -0.114) 12.241 21.773 ( 31.533 0.000 17.296) 35.965 22.137 ( -31.238 -0.000 -17.787) 35.947 23.566 ( -12.353 -0.000 0.965) 12.391 23.589 ( 12.919 0.000 -1.593) 13.017 ======================= Grid point 751 (368/432) ======================= q-point: ( 0.09 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -0.136 0.120 -8.691) 8.692 2.915 ( 4.612 0.119 7.558) 8.854 3.196 ( -3.066 1.118 -4.941) 5.921 3.268 ( 0.698 2.740 5.130) 5.858 3.416 ( -1.209 -2.534 -10.415) 10.787 3.497 ( 2.761 0.720 10.470) 10.852 4.214 ( -7.288 -4.207 -0.847) 8.457 4.456 ( 9.255 -5.682 0.380) 10.866 6.008 ( -6.373 0.517 -8.379) 10.540 6.062 ( -4.852 1.036 6.904) 8.502 6.490 ( -10.743 3.436 7.584) 13.591 6.606 ( -5.418 -2.435 1.606) 6.154 6.817 ( 1.028 4.993 -2.771) 5.802 6.907 ( 4.856 -5.262 -3.208) 7.846 8.357 ( -14.511 10.315 -21.994) 28.296 8.717 ( 6.783 11.258 22.634) 26.173 9.483 ( -12.678 -5.392 5.626) 14.882 9.619 ( -0.325 -6.807 -8.074) 10.566 9.843 ( -5.562 0.161 20.106) 20.862 10.034 ( 9.037 -6.403 -16.824) 20.142 10.763 ( 2.241 1.627 19.077) 19.277 10.846 ( 9.345 -1.722 -16.509) 19.048 11.529 ( -2.620 5.570 -17.810) 18.843 11.910 ( 18.533 2.266 17.195) 25.383 13.089 ( -7.871 -6.542 0.348) 10.240 13.309 ( 8.082 -6.727 -3.952) 11.234 13.939 ( -4.636 2.934 12.190) 13.368 13.979 ( 1.795 1.483 -12.610) 12.823 17.938 ( -13.313 -0.660 -6.925) 15.021 18.338 ( 15.268 -0.781 10.149) 18.350 19.568 ( -15.344 2.263 1.525) 15.584 19.882 ( 5.533 0.860 0.164) 5.601 21.543 ( -26.036 1.291 -18.390) 31.902 22.384 ( 30.634 0.748 17.837) 35.457 23.424 ( -11.415 -1.241 0.133) 11.483 23.747 ( 12.595 -1.589 -0.703) 12.714 ======================= Grid point 752 (369/432) ======================= q-point: ( 0.18 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.468 -1.629 -11.097) 11.225 3.026 ( -0.400 -1.932 0.545) 2.047 3.122 ( 1.822 0.214 -3.705) 4.135 3.250 ( -1.597 1.694 1.627) 2.840 3.405 ( 0.785 -4.203 1.877) 4.670 3.628 ( 3.228 5.511 9.452) 11.407 4.178 ( -2.209 -4.248 -0.973) 4.886 4.636 ( 6.736 -10.291 0.363) 12.305 5.802 ( -9.115 0.955 -8.119) 12.244 5.981 ( -14.406 1.305 2.864) 14.746 6.380 ( -12.207 4.016 4.808) 13.721 6.566 ( -8.072 -2.278 2.723) 8.818 6.756 ( 2.744 5.446 -3.172) 6.874 6.985 ( 3.792 -5.113 -1.622) 6.569 7.852 ( -10.387 11.534 -19.317) 24.780 8.831 ( 2.698 20.166 9.941) 22.645 9.400 ( -11.671 -4.911 1.151) 12.714 9.595 ( -4.118 -10.575 -3.778) 11.961 9.950 ( -3.942 0.093 8.540) 9.407 10.037 ( -4.409 -12.473 -3.765) 13.755 10.789 ( 12.447 2.353 -9.886) 16.069 11.084 ( 9.719 0.521 16.567) 19.215 11.302 ( 10.219 8.410 -19.777) 23.796 12.304 ( 18.482 4.511 12.511) 22.770 13.069 ( -5.086 -9.636 -0.110) 10.897 13.403 ( 2.070 -10.580 -6.095) 12.385 13.860 ( 3.707 -0.473 -9.292) 10.015 13.995 ( -5.664 3.272 12.712) 14.297 17.737 ( -11.682 0.113 -0.592) 11.698 18.696 ( 15.538 -0.249 14.905) 21.533 19.347 ( -13.944 3.492 -1.796) 14.486 19.908 ( -3.924 -1.175 2.317) 4.706 21.041 ( -15.681 2.114 -17.714) 23.752 22.939 ( 26.425 4.350 15.989) 31.191 23.288 ( -10.735 -1.638 -1.094) 10.914 23.938 ( 12.622 -4.777 1.676) 13.599 ======================= Grid point 753 (370/432) ======================= q-point: ( 0.27 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.626 -6.074 -13.312) 14.646 2.953 ( -1.453 -6.566 -12.503) 14.197 3.103 ( -9.049 0.495 8.920) 12.716 3.334 ( 7.409 0.668 3.775) 8.342 3.486 ( 0.072 -6.018 3.243) 6.837 3.713 ( 3.483 9.458 8.971) 13.493 4.200 ( 4.482 -1.327 -2.058) 5.107 4.793 ( 3.691 -10.643 -0.953) 11.306 5.577 ( -12.755 1.964 -4.318) 13.609 5.770 ( -17.808 -2.053 -0.676) 17.938 6.214 ( -13.114 5.223 2.084) 14.269 6.509 ( -7.485 -0.251 3.517) 8.274 6.711 ( 2.205 5.470 -3.759) 6.994 7.047 ( 1.564 -5.308 -1.477) 5.727 7.484 ( -1.196 9.867 -14.521) 17.597 8.717 ( -0.749 20.067 -0.991) 20.105 9.312 ( -11.436 -6.684 1.787) 13.366 9.596 ( -2.176 -9.868 -3.640) 10.741 9.940 ( -12.913 -17.420 -2.480) 21.826 10.032 ( -3.494 8.257 8.994) 12.700 10.846 ( 8.671 7.862 0.316) 11.709 11.183 ( 20.266 4.942 -23.735) 31.598 11.392 ( 9.421 1.527 13.678) 16.679 12.567 ( 11.978 2.862 3.856) 12.904 13.122 ( 0.337 -6.883 0.321) 6.899 13.395 ( -0.715 -8.459 -6.722) 10.828 13.860 ( 1.761 -1.336 -1.190) 2.510 14.078 ( -0.992 -4.447 9.992) 10.981 17.613 ( -10.638 1.928 5.782) 12.260 18.994 ( 3.479 7.651 4.694) 9.627 19.183 ( 1.240 -2.757 2.789) 4.113 19.846 ( -14.194 -3.878 3.471) 15.118 20.722 ( -2.232 2.396 -12.782) 13.194 23.143 ( -8.819 -0.201 -3.091) 9.347 23.334 ( 17.379 7.288 10.632) 21.638 24.212 ( 13.383 -8.459 6.680) 17.184 ======================= Grid point 754 (371/432) ======================= q-point: ( 0.36 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -4.400 -7.617 -13.774) 16.343 2.865 ( 2.347 -4.034 -10.769) 11.737 3.117 ( -10.607 -5.350 12.712) 17.400 3.425 ( 1.832 1.947 1.597) 3.114 3.600 ( 3.681 -9.408 1.928) 10.284 3.778 ( 3.529 10.224 8.705) 13.884 4.266 ( 9.744 1.969 -2.145) 10.170 4.863 ( -1.280 -5.014 -2.510) 5.752 5.336 ( -17.008 -2.008 -1.794) 17.220 5.607 ( -10.422 -5.264 -0.048) 11.676 6.024 ( -10.571 6.515 1.704) 12.534 6.458 ( -5.353 0.649 2.118) 5.793 6.607 ( -2.526 6.226 -5.612) 8.754 7.079 ( -1.073 -5.377 -1.046) 5.582 7.330 ( 8.619 7.170 -8.889) 14.308 8.497 ( -3.551 14.825 -4.683) 15.948 9.252 ( -11.256 -6.343 3.128) 13.293 9.628 ( 1.194 -10.406 -4.051) 11.230 9.884 ( -15.608 -16.587 0.686) 22.786 10.015 ( 0.819 14.814 8.157) 16.931 10.852 ( 0.610 11.596 5.131) 12.695 11.173 ( 22.497 0.975 -23.310) 32.410 11.599 ( 4.973 2.417 8.086) 9.796 12.701 ( 7.219 -2.030 0.348) 7.507 13.119 ( -2.741 -3.365 -4.841) 6.501 13.439 ( 4.321 -4.789 -2.263) 6.835 13.881 ( -0.856 2.397 5.755) 6.293 14.258 ( 3.663 -11.469 4.469) 12.842 17.574 ( -8.786 1.895 12.869) 15.697 18.806 ( -3.529 6.098 -14.346) 15.983 19.415 ( 9.995 0.507 9.073) 13.509 19.713 ( -14.389 -3.507 2.719) 15.057 20.637 ( 3.942 0.177 -4.080) 5.676 22.997 ( -7.566 -0.701 -3.793) 8.493 23.530 ( 9.905 7.448 4.788) 13.285 24.548 ( 11.553 -7.900 9.236) 16.768 ======================= Grid point 755 (372/432) ======================= q-point: (-0.55 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -7.184 -3.544 -8.255) 11.503 2.807 ( -2.131 1.955 -2.346) 3.724 3.208 ( -2.187 -7.669 6.477) 10.273 3.415 ( -0.753 0.955 -0.088) 1.219 3.762 ( 3.428 -9.436 2.618) 10.375 3.819 ( 2.154 6.752 3.930) 8.104 4.363 ( 9.550 2.694 -0.859) 9.960 4.777 ( -8.073 0.493 -1.629) 8.250 5.186 ( -8.352 -7.031 -2.317) 11.161 5.568 ( -4.139 -3.263 2.055) 5.657 5.911 ( -4.590 3.928 4.850) 7.747 6.377 ( -1.787 2.063 -8.821) 9.234 6.468 ( -5.926 3.503 3.354) 7.658 7.089 ( -2.236 -3.837 -0.238) 4.447 7.333 ( 10.168 3.587 -6.457) 12.568 8.313 ( -3.212 7.866 -1.586) 8.643 9.194 ( -8.347 -3.394 2.673) 9.398 9.710 ( 2.512 -10.253 -1.273) 10.633 9.818 ( -9.393 -4.080 0.239) 10.243 10.003 ( -1.997 8.800 8.329) 12.281 10.814 ( -4.694 7.639 7.583) 11.743 11.179 ( 17.762 0.500 -20.449) 27.091 11.678 ( 1.977 2.530 2.739) 4.220 12.803 ( 3.535 -2.833 0.441) 4.551 13.052 ( -1.620 -2.461 -4.553) 5.423 13.463 ( -0.636 0.332 -0.843) 1.107 13.933 ( 0.988 3.535 5.873) 6.925 14.431 ( 4.758 -10.512 -1.230) 11.604 17.667 ( -4.632 -1.508 18.628) 19.255 18.524 ( 0.001 5.356 -20.699) 21.381 19.584 ( 5.110 0.539 3.838) 6.413 19.634 ( -4.721 -1.689 1.828) 5.337 20.670 ( 2.298 -0.180 0.531) 2.365 22.889 ( -4.166 -2.071 -3.016) 5.544 23.606 ( 4.139 4.114 1.889) 6.135 24.808 ( 5.577 -3.974 6.051) 9.139 ======================= Grid point 756 (373/432) ======================= q-point: (-0.45 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -5.243 3.352 2.873) 6.854 2.716 ( -8.408 7.497 5.884) 12.709 3.295 ( 3.471 -2.471 -1.287) 4.451 3.419 ( 1.561 -1.924 -0.601) 2.549 3.774 ( 0.865 11.764 0.205) 11.798 3.907 ( -0.547 -16.312 -2.426) 16.501 4.364 ( -8.625 -2.190 -0.916) 8.946 4.753 ( 5.925 -1.631 0.501) 6.166 5.154 ( 1.113 0.231 0.478) 1.233 5.582 ( 1.671 0.914 0.999) 2.151 5.940 ( -0.522 -1.440 5.658) 5.862 6.262 ( 0.748 -0.052 -3.462) 3.542 6.461 ( -2.341 -0.279 5.888) 6.343 7.077 ( -3.903 -1.601 1.035) 4.344 7.342 ( 5.691 0.430 -7.991) 9.820 8.264 ( -1.002 -0.496 3.577) 3.748 9.179 ( -1.272 0.844 4.377) 4.635 9.704 ( -4.232 8.375 -1.097) 9.448 9.823 ( 4.175 -7.047 -0.226) 8.194 10.005 ( -7.794 -0.348 8.976) 11.892 10.781 ( -9.519 3.124 10.077) 14.210 11.151 ( 11.220 -1.661 -17.657) 20.986 11.702 ( 2.519 1.646 0.130) 3.012 12.820 ( -2.304 0.458 -0.904) 2.517 13.023 ( 1.332 -0.020 -2.184) 2.558 13.430 ( -3.752 1.572 2.394) 4.720 13.950 ( -1.019 6.187 3.471) 7.167 14.511 ( 4.774 -6.932 -8.424) 11.908 17.869 ( 0.333 -4.524 11.058) 11.952 18.306 ( 5.063 1.792 -11.354) 12.560 19.632 ( -0.989 -2.331 -0.934) 2.699 19.658 ( 5.926 0.510 -0.563) 5.974 20.676 ( -1.449 2.505 0.451) 2.929 22.867 ( 0.525 -4.239 -0.981) 4.383 23.624 ( -0.555 -0.221 0.178) 0.623 24.873 ( -2.690 1.436 -0.350) 3.069 ======================= Grid point 757 (374/432) ======================= q-point: (-0.36 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -1.254 8.345 13.194) 15.662 2.627 ( -8.210 10.531 12.040) 17.979 3.317 ( 5.822 0.876 -5.687) 8.185 3.452 ( 0.610 -2.994 -1.476) 3.393 3.655 ( 0.962 10.881 -4.383) 11.770 3.963 ( -3.565 -15.837 -6.932) 17.652 4.235 ( -13.229 -5.088 0.448) 14.180 4.825 ( 0.997 2.470 0.623) 2.735 5.278 ( 14.374 0.379 3.836) 14.882 5.610 ( 6.586 4.910 -0.122) 8.216 6.044 ( 4.821 -6.722 2.686) 8.698 6.323 ( 1.308 -1.019 7.106) 7.297 6.551 ( 2.828 -4.386 5.728) 7.749 7.046 ( -4.773 0.675 3.530) 5.975 7.286 ( -0.008 -1.182 -7.636) 7.727 8.376 ( 1.501 -9.440 7.322) 12.041 9.247 ( 5.427 4.190 5.608) 8.858 9.555 ( -3.354 12.988 0.451) 13.422 9.908 ( 10.126 9.361 -1.461) 13.867 10.035 ( -13.108 -17.368 8.747) 23.452 10.738 ( -15.502 1.754 13.934) 20.918 11.088 ( 5.635 -1.517 -14.753) 15.866 11.717 ( 2.242 -0.962 -3.657) 4.396 12.726 ( -6.500 2.308 -2.074) 7.203 13.041 ( 3.780 2.649 1.699) 4.919 13.387 ( -5.817 3.097 3.289) 7.366 13.888 ( -3.512 8.718 2.546) 9.738 14.483 ( 5.039 -4.412 -15.042) 16.466 17.881 ( 4.900 -1.640 -13.873) 14.804 18.481 ( 10.013 -6.900 14.351) 18.810 19.570 ( -7.314 -5.244 -5.999) 10.816 19.766 ( 15.044 2.422 -2.477) 15.437 20.602 ( -4.494 5.548 0.378) 7.150 22.946 ( 4.447 -6.254 0.929) 7.730 23.599 ( -4.905 -4.338 -1.932) 6.827 24.706 ( -11.045 7.327 -6.097) 14.589 ======================= Grid point 758 (375/432) ======================= q-point: (-0.27 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.929 7.226 16.084) 17.657 2.632 ( -3.382 10.469 17.327) 20.525 3.301 ( 4.640 0.939 -8.484) 9.715 3.409 ( -4.718 -1.524 -3.521) 6.081 3.572 ( 6.723 7.400 -5.178) 11.259 3.923 ( -6.403 -13.839 -9.903) 18.182 4.147 ( -7.743 -3.480 2.458) 8.838 4.770 ( -2.838 8.577 1.173) 9.111 5.488 ( 6.699 -1.904 3.776) 7.922 5.746 ( 19.439 2.964 1.930) 19.758 6.230 ( 8.196 -7.341 2.918) 11.383 6.420 ( 0.385 0.341 7.330) 7.348 6.695 ( 3.417 -5.922 1.108) 6.926 7.047 ( 0.666 3.445 3.631) 5.050 7.236 ( -3.621 -4.638 3.374) 6.783 8.608 ( 1.592 -17.227 8.662) 19.347 9.337 ( 7.013 6.528 0.042) 9.581 9.455 ( -1.565 11.207 9.382) 14.699 9.900 ( 8.014 17.524 0.538) 19.277 10.148 ( -5.984 -22.505 1.300) 23.323 10.671 ( -22.774 1.875 20.109) 30.439 10.990 ( 3.608 2.794 -10.363) 11.323 11.648 ( -3.160 -2.565 -11.120) 11.842 12.608 ( -7.210 -0.939 -1.127) 7.358 13.104 ( 4.510 3.570 2.946) 6.462 13.295 ( -5.659 7.364 2.539) 9.628 13.788 ( -4.857 9.110 3.152) 10.794 14.393 ( 6.061 -4.204 -18.138) 19.580 17.817 ( 8.058 -1.927 -13.070) 15.474 18.866 ( 13.234 -9.185 11.751) 19.939 19.385 ( -11.571 -4.111 -11.591) 16.886 19.923 ( 15.691 2.879 -4.225) 16.503 20.534 ( -0.416 5.560 5.929) 8.139 23.088 ( 4.598 -8.198 1.760) 9.563 23.512 ( -8.672 -5.951 -6.325) 12.272 24.355 ( -16.471 11.976 -7.325) 21.642 ======================= Grid point 759 (376/432) ======================= q-point: (-0.18 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 1.781 2.155 14.325) 14.596 2.748 ( -0.883 7.683 19.812) 21.268 3.205 ( -4.612 -0.488 -6.508) 7.992 3.345 ( 3.351 0.032 -6.931) 7.699 3.543 ( 6.267 3.272 -8.050) 10.714 3.812 ( -7.824 -8.717 -8.551) 14.502 4.147 ( 0.239 -1.066 1.916) 2.206 4.645 ( -4.844 10.139 -0.320) 11.241 5.625 ( 4.058 -0.667 8.326) 9.287 6.013 ( 18.022 -0.464 -0.258) 18.029 6.399 ( -0.438 -4.187 7.480) 8.584 6.521 ( 8.855 -0.125 0.904) 8.902 6.740 ( -1.514 -2.914 -0.360) 3.304 7.031 ( 3.249 2.897 -5.249) 6.819 7.438 ( 3.370 -7.434 20.747) 22.295 8.872 ( -0.861 -22.997 5.162) 23.585 9.338 ( 1.582 6.943 5.046) 8.728 9.531 ( 5.380 6.221 7.197) 10.929 9.836 ( 4.362 21.650 2.253) 22.200 10.245 ( -0.584 -16.624 -6.819) 17.978 10.567 ( -22.189 2.966 15.277) 27.102 10.958 ( 1.819 3.193 6.413) 7.391 11.432 ( -6.617 -1.778 -16.367) 17.743 12.491 ( -12.066 -5.812 -5.584) 14.511 13.112 ( 4.409 5.305 -3.915) 7.932 13.247 ( -0.701 10.439 8.926) 13.753 13.706 ( -4.206 4.757 4.644) 7.867 14.305 ( 6.192 -4.290 -16.976) 18.572 17.824 ( 9.989 -1.217 -8.441) 13.134 19.029 ( -14.442 -5.910 -16.378) 22.621 19.269 ( 15.723 -2.577 5.362) 16.811 19.959 ( -0.095 1.809 -3.009) 3.512 20.725 ( 18.027 2.712 12.844) 22.300 23.158 ( -20.027 -16.229 -3.510) 26.015 23.354 ( 7.807 5.304 -9.177) 13.164 23.979 ( -15.721 10.413 -2.408) 19.010 ======================= Grid point 760 (377/432) ======================= q-point: (-0.09 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.090 -0.144 11.611) 11.662 2.929 ( 1.061 2.332 17.331) 17.519 3.076 ( -4.772 -0.415 -4.211) 6.378 3.323 ( 3.951 -0.234 -4.967) 6.351 3.465 ( 0.661 -0.164 -11.371) 11.391 3.694 ( -3.592 -2.289 -7.051) 8.238 4.203 ( 5.971 0.925 0.543) 6.067 4.477 ( -7.371 7.038 -1.646) 10.323 5.803 ( 4.364 -0.541 11.200) 12.032 6.168 ( 7.836 -0.635 -3.612) 8.652 6.478 ( -5.821 -1.580 10.488) 12.099 6.648 ( 11.560 -1.468 -5.776) 13.006 6.728 ( -4.505 0.422 4.903) 6.672 6.984 ( 3.677 1.137 -7.858) 8.750 7.862 ( 9.643 -5.992 26.244) 28.594 9.032 ( -4.849 -21.219 -7.094) 22.893 9.404 ( 1.966 4.449 9.728) 10.876 9.616 ( 6.859 3.691 0.292) 7.795 9.703 ( -7.144 18.261 9.361) 21.729 10.247 ( 4.666 -6.359 -15.538) 17.426 10.444 ( -16.597 3.467 17.139) 24.108 11.145 ( 5.034 -1.225 15.326) 16.178 11.178 ( -1.762 -0.057 -15.324) 15.425 12.229 ( -16.878 -4.435 -13.419) 22.014 13.122 ( 9.668 4.299 -3.071) 11.018 13.222 ( -4.460 7.848 5.260) 10.447 13.735 ( -1.556 -0.380 9.366) 9.502 14.224 ( 4.720 -2.705 -14.836) 15.802 17.903 ( 11.820 -0.117 -3.156) 12.235 18.631 ( -16.330 -0.287 -17.900) 24.232 19.562 ( 16.264 -2.784 2.127) 16.637 19.871 ( -9.654 -0.163 1.105) 9.719 21.190 ( 28.357 0.827 15.568) 32.360 22.734 ( -31.947 -4.505 -15.707) 35.883 23.445 ( 13.632 1.459 -2.392) 13.917 23.732 ( -13.313 3.506 1.008) 13.803 ======================= Grid point 762 (378/432) ======================= q-point: ( 0.09 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -1.945 -0.000 -11.164) 11.332 3.002 ( -1.705 -0.000 -4.668) 4.970 3.126 ( 3.462 0.000 -1.815) 3.909 3.271 ( -1.106 -0.000 -3.818) 3.975 3.359 ( -1.863 -0.000 7.334) 7.567 3.688 ( 4.538 0.000 11.610) 12.466 4.142 ( -1.157 -0.000 1.073) 1.578 4.534 ( 6.269 0.000 -0.084) 6.270 5.810 ( -8.813 -0.000 -8.277) 12.090 5.994 ( -14.874 -0.000 2.458) 15.075 6.422 ( -13.845 -0.000 5.640) 14.950 6.539 ( -6.081 -0.000 2.755) 6.676 6.823 ( 2.610 0.000 -4.048) 4.816 6.921 ( 3.634 0.000 -0.608) 3.684 7.951 ( -12.506 -0.000 -21.864) 25.188 9.035 ( -1.609 -0.000 15.375) 15.459 9.388 ( -13.298 -0.000 9.681) 16.448 9.462 ( 0.355 0.000 -10.413) 10.419 9.841 ( -1.345 -0.000 -19.550) 19.596 10.017 ( -5.570 -0.000 20.375) 21.122 10.806 ( 16.820 0.000 -14.138) 21.973 11.091 ( 9.343 0.000 19.006) 21.179 11.387 ( 11.172 0.000 -21.798) 24.494 12.352 ( 17.808 0.000 14.331) 22.858 12.980 ( -5.092 -0.000 1.466) 5.299 13.295 ( 3.135 0.000 -6.608) 7.314 13.856 ( 2.475 0.000 -12.290) 12.537 14.029 ( -7.452 -0.000 13.939) 15.806 17.738 ( -11.252 -0.000 0.094) 11.252 18.693 ( 16.023 0.000 16.041) 22.673 19.381 ( -15.049 -0.000 -1.519) 15.125 19.895 ( -6.098 -0.000 2.319) 6.524 21.059 ( -13.942 -0.000 -19.622) 24.071 22.966 ( 21.207 0.000 19.574) 28.860 23.289 ( -4.997 -0.000 -1.159) 5.129 23.892 ( 12.032 0.000 -0.646) 12.049 ======================= Grid point 763 (379/432) ======================= q-point: ( 0.18 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -3.936 -2.297 -13.557) 14.302 2.852 ( -1.260 -3.968 -14.853) 15.426 3.117 ( -6.790 0.684 3.767) 7.795 3.341 ( 7.869 0.251 3.949) 8.808 3.406 ( -3.106 -2.750 4.610) 6.202 3.862 ( 3.947 6.152 12.630) 14.593 4.192 ( 5.619 0.037 1.603) 5.843 4.621 ( 2.775 -7.314 -0.421) 7.834 5.606 ( -9.624 1.131 -5.140) 10.969 5.748 ( -22.798 -0.687 -1.220) 22.841 6.285 ( -13.380 2.554 3.838) 14.152 6.502 ( -5.304 -0.409 2.678) 5.955 6.798 ( 1.645 4.265 -2.258) 5.098 6.959 ( 0.918 -4.296 -2.006) 4.830 7.590 ( -4.697 2.922 -16.922) 17.803 9.000 ( -8.352 11.295 0.092) 14.047 9.308 ( -6.073 6.198 4.745) 9.890 9.441 ( -2.861 -7.996 -2.286) 8.795 9.623 ( -9.075 -15.737 -12.517) 22.061 10.151 ( -6.791 3.794 18.887) 20.426 10.929 ( 20.956 2.124 -7.544) 22.373 11.288 ( 18.554 5.184 -25.341) 31.832 11.421 ( 10.383 1.117 14.788) 18.104 12.620 ( 7.613 2.478 3.355) 8.680 13.040 ( 5.847 -1.859 5.772) 8.424 13.238 ( -1.864 -7.897 -8.378) 11.663 13.793 ( 5.436 -3.119 -8.917) 10.899 14.083 ( -9.122 1.433 16.033) 18.502 17.636 ( -10.195 0.702 6.270) 11.990 19.088 ( 8.263 2.921 14.143) 16.638 19.158 ( -5.873 -0.324 -1.996) 6.212 19.792 ( -15.440 -1.987 3.883) 16.045 20.747 ( -0.634 0.691 -17.250) 17.275 23.073 ( -14.611 -3.202 2.568) 15.177 23.535 ( 24.243 9.820 12.532) 29.004 24.066 ( 11.689 -7.052 1.089) 13.695 ======================= Grid point 764 (380/432) ======================= q-point: ( 0.27 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -2.199 -5.458 -13.617) 14.834 2.745 ( 4.409 -7.838 -14.401) 16.978 3.074 ( -11.539 -0.657 10.494) 15.611 3.416 ( -3.718 -3.045 1.762) 5.118 3.496 ( 6.932 -2.048 2.229) 7.565 3.972 ( 1.716 11.282 12.934) 17.249 4.310 ( 10.484 2.646 1.792) 10.960 4.710 ( -0.570 -11.074 -0.695) 11.110 5.344 ( -23.246 2.144 -2.439) 23.472 5.522 ( -9.828 -4.552 -0.591) 10.847 6.132 ( -10.706 5.447 3.332) 12.466 6.464 ( -3.977 0.155 0.891) 4.078 6.715 ( -3.114 6.590 -3.735) 8.190 6.965 ( -2.954 -7.391 -2.475) 8.336 7.418 ( 5.462 2.915 -9.979) 11.744 8.713 ( -11.425 11.018 -7.519) 17.563 9.252 ( -4.484 5.688 4.851) 8.717 9.399 ( -4.636 -15.398 -8.761) 18.313 9.622 ( -6.169 -13.144 3.878) 15.028 10.213 ( -6.707 7.681 15.616) 18.651 11.079 ( 14.854 12.084 -0.897) 19.169 11.202 ( 23.167 2.974 -27.825) 36.329 11.652 ( 6.411 2.836 7.983) 10.624 12.680 ( 4.056 -0.321 -0.252) 4.076 13.059 ( -4.205 -3.260 -5.777) 7.854 13.334 ( 8.832 -6.659 0.775) 11.088 13.828 ( 5.709 -6.793 -5.872) 10.641 14.167 ( -6.405 -0.269 17.695) 18.820 17.601 ( -9.975 1.211 12.009) 15.659 18.870 ( -9.081 1.903 -12.639) 15.679 19.469 ( 12.284 4.474 14.795) 19.744 19.659 ( -13.039 -2.744 3.634) 13.812 20.619 ( 4.171 -1.727 -10.565) 11.489 22.923 ( -15.134 -5.089 0.194) 15.967 23.774 ( 15.319 18.286 5.420) 24.463 24.368 ( 11.903 -13.407 7.338) 19.372 ======================= Grid point 765 (381/432) ======================= q-point: ( 0.36 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 1.163 -2.315 -7.759) 8.180 2.757 ( 7.952 -7.629 -11.148) 15.675 3.099 ( -9.187 -4.263 14.604) 17.772 3.393 ( -4.591 -3.648 -0.408) 5.878 3.608 ( 3.240 -4.863 0.619) 5.877 4.019 ( -0.126 12.974 10.833) 16.903 4.435 ( 9.324 5.274 1.090) 10.768 4.734 ( -8.324 -6.311 -0.862) 10.482 5.054 ( -15.673 -6.648 0.160) 17.025 5.502 ( -2.218 -4.210 3.030) 5.641 6.015 ( -5.784 7.051 5.042) 10.421 6.403 ( -1.662 1.074 -5.934) 6.255 6.545 ( -6.984 5.432 -1.834) 9.036 6.961 ( -5.796 -9.431 -0.724) 11.094 7.403 ( 8.042 3.186 -5.951) 10.500 8.408 ( -11.276 4.386 -6.865) 13.911 9.206 ( -2.315 1.281 1.566) 3.075 9.423 ( -5.201 -15.909 0.208) 16.739 9.707 ( -1.760 -6.024 4.730) 7.859 10.220 ( -5.480 9.838 12.561) 16.870 11.036 ( 9.866 16.135 -8.261) 20.638 11.222 ( 17.987 5.129 -15.352) 24.197 11.733 ( 4.493 3.144 -0.046) 5.484 12.755 ( 3.563 -2.432 1.579) 4.594 12.982 ( -3.545 -5.572 -3.624) 7.533 13.446 ( 2.859 -2.083 -1.439) 3.819 13.902 ( 4.634 -7.115 -3.802) 9.303 14.319 ( -1.301 -2.096 13.725) 13.945 17.647 ( -8.371 -0.821 17.520) 19.435 18.577 ( -4.850 1.295 -19.598) 20.230 19.603 ( -2.277 -1.634 2.487) 3.747 19.673 ( 6.592 8.666 7.196) 13.051 20.618 ( 2.475 -5.421 -3.531) 6.927 22.790 ( -13.579 -7.307 0.758) 15.439 23.810 ( 9.716 17.516 0.527) 20.037 24.686 ( 6.396 -10.440 7.149) 14.178 ======================= Grid point 766 (382/432) ======================= q-point: (-0.55 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 4.424 4.572 3.275) 7.155 2.772 ( 0.113 -1.018 -1.850) 2.115 3.229 ( 0.976 -4.854 7.919) 9.339 3.367 ( -3.055 -4.430 -0.714) 5.429 3.676 ( -2.058 -9.830 -0.733) 10.070 3.996 ( -0.418 13.693 4.954) 14.568 4.368 ( -12.711 2.467 -2.546) 13.196 4.702 ( 1.217 -4.271 1.558) 4.707 5.085 ( 0.808 -7.283 6.410) 9.736 5.577 ( 3.599 -1.604 3.038) 4.976 5.986 ( -0.378 6.019 5.089) 7.891 6.269 ( -1.064 0.959 -6.986) 7.132 6.469 ( -3.505 1.066 3.774) 5.259 6.951 ( -9.526 -10.838 1.406) 14.497 7.393 ( 5.270 3.639 -6.602) 9.198 8.215 ( -8.860 -4.338 -2.994) 10.309 9.233 ( 3.481 1.311 3.742) 5.276 9.508 ( -7.616 -15.444 5.207) 17.989 9.769 ( 1.122 0.146 1.896) 2.208 10.204 ( -3.563 11.239 10.320) 15.669 10.928 ( 2.499 14.100 -1.930) 14.450 11.182 ( 12.568 5.504 -17.139) 21.954 11.751 ( 5.967 3.767 -3.120) 7.716 12.812 ( -0.920 -1.331 1.274) 2.059 12.984 ( -0.128 -4.429 0.202) 4.435 13.443 ( -2.101 -0.071 0.458) 2.151 13.958 ( 2.528 -5.452 -4.398) 7.447 14.444 ( 0.164 -0.496 5.940) 5.963 17.798 ( -4.466 -3.847 17.186) 18.169 18.304 ( 0.086 -1.565 -18.872) 18.937 19.665 ( 8.164 0.193 0.096) 8.167 19.688 ( 0.576 8.526 0.628) 8.568 20.654 ( -0.895 -5.030 -1.118) 5.230 22.726 ( -10.424 -10.201 2.900) 14.870 23.767 ( 6.213 14.847 -1.898) 16.206 24.839 ( -1.873 -5.426 1.948) 6.062 ======================= Grid point 767 (383/432) ======================= q-point: (-0.45 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 4.170 9.961 12.276) 16.350 2.752 ( -4.375 3.979 6.771) 8.990 3.331 ( 4.637 0.510 -1.398) 4.870 3.375 ( -2.126 -6.137 0.017) 6.495 3.702 ( -5.925 -13.212 -2.937) 14.775 3.886 ( 1.249 14.756 -3.789) 15.285 4.172 ( -13.616 -2.312 1.853) 13.934 4.797 ( 1.579 -5.005 2.530) 5.826 5.272 ( 8.041 -2.053 7.333) 11.074 5.674 ( 7.392 2.270 1.685) 7.914 5.996 ( 5.104 1.756 -0.465) 5.418 6.290 ( 1.347 -2.554 6.961) 7.536 6.499 ( 0.728 -1.782 4.107) 4.536 6.935 ( -11.932 -11.690 4.397) 17.273 7.325 ( 2.466 4.050 -7.833) 9.157 8.188 ( -5.393 -12.402 1.751) 13.637 9.348 ( 7.744 3.646 6.174) 10.553 9.592 ( -7.976 -11.418 6.689) 15.451 9.776 ( 0.295 2.263 0.111) 2.285 10.184 ( -1.064 12.451 8.936) 15.362 10.827 ( -6.681 10.435 7.227) 14.344 11.090 ( 12.327 1.860 -20.402) 23.910 11.744 ( 4.861 4.443 -5.244) 8.418 12.762 ( -6.708 1.585 -1.058) 6.973 13.048 ( 2.670 -1.664 3.322) 4.576 13.424 ( -3.800 0.941 3.279) 5.106 13.953 ( 0.348 -2.094 -4.778) 5.228 14.455 ( -0.770 1.955 -2.200) 3.042 17.856 ( 1.933 -1.170 -9.580) 9.843 18.320 ( 3.635 -11.602 9.248) 15.276 19.575 ( -4.840 5.549 -4.144) 8.450 19.806 ( 15.672 2.276 -1.578) 15.915 20.638 ( -2.885 -1.544 -1.780) 3.725 22.755 ( -8.002 -13.731 5.019) 16.666 23.686 ( 3.860 12.080 -3.794) 13.237 24.769 ( -9.973 0.215 -4.206) 10.825 ======================= Grid point 768 (384/432) ======================= q-point: (-0.36 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.353 9.876 14.141) 17.252 2.781 ( -2.172 6.264 13.367) 14.920 3.310 ( -2.123 -0.833 -5.103) 5.590 3.381 ( 0.333 -1.059 -2.864) 3.072 3.679 ( -6.125 -14.154 -6.886) 16.890 3.739 ( 4.655 11.982 -7.264) 14.765 4.108 ( -5.836 -1.055 6.015) 8.447 4.850 ( -2.230 0.310 3.122) 3.849 5.462 ( 7.139 -1.208 5.199) 8.914 5.799 ( 13.560 2.863 1.894) 13.988 6.124 ( 10.312 -4.247 1.905) 11.314 6.413 ( -0.204 -1.279 8.401) 8.500 6.604 ( 4.328 -4.537 1.696) 6.495 6.976 ( -8.600 -11.846 10.776) 18.177 7.225 ( 0.425 3.500 -6.077) 7.026 8.300 ( -4.419 -19.092 4.484) 20.103 9.492 ( 11.818 8.792 4.176) 15.310 9.612 ( -4.262 6.130 6.438) 9.859 9.796 ( -5.529 -14.240 3.236) 15.615 10.183 ( 1.151 13.273 9.377) 16.291 10.745 ( -13.288 7.958 13.790) 20.738 11.010 ( 13.157 0.210 -20.123) 24.044 11.651 ( -0.726 4.020 -10.405) 11.179 12.613 ( -10.362 1.042 -2.562) 10.725 13.144 ( 4.367 1.151 4.137) 6.125 13.397 ( -3.492 4.239 4.387) 7.029 13.904 ( -1.563 2.182 -1.994) 3.344 14.354 ( -0.820 1.489 -9.659) 9.807 17.780 ( 7.490 -2.273 -13.366) 15.489 18.648 ( 5.113 -15.623 12.843) 20.861 19.387 ( -6.980 4.095 -7.189) 10.825 19.967 ( 13.613 2.245 -3.128) 14.147 20.606 ( 3.067 2.343 0.436) 3.884 22.840 ( -9.771 -17.444 5.346) 20.696 23.581 ( 3.617 10.607 -5.995) 12.709 24.501 ( -15.666 5.388 -7.680) 18.261 ======================= Grid point 769 (385/432) ======================= q-point: (-0.27 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -1.204 5.429 12.807) 13.962 2.877 ( -2.455 6.488 16.619) 18.009 3.190 ( -6.450 -1.347 -5.741) 8.739 3.349 ( 2.544 0.415 -6.032) 6.560 3.581 ( -2.894 -4.828 -11.899) 13.163 3.682 ( 3.496 0.459 -5.023) 6.137 4.160 ( 2.184 2.337 6.767) 7.485 4.798 ( -4.884 6.636 0.954) 8.294 5.614 ( 4.654 -0.501 8.066) 9.326 6.004 ( 15.515 -0.626 -0.275) 15.530 6.317 ( 5.869 -4.834 4.253) 8.713 6.511 ( 2.563 -1.277 4.799) 5.589 6.687 ( 2.969 -2.920 -0.537) 4.199 7.078 ( -0.653 0.999 -1.467) 1.891 7.260 ( 0.744 -12.074 15.138) 19.377 8.467 ( -6.076 -24.760 3.112) 25.684 9.515 ( 3.110 13.325 2.141) 13.849 9.648 ( 4.743 8.338 8.901) 13.086 9.925 ( -2.178 -17.489 1.990) 17.736 10.197 ( 1.512 15.459 10.250) 18.610 10.643 ( -17.249 7.360 13.086) 22.868 10.988 ( 13.278 0.397 -11.166) 17.353 11.425 ( -5.384 2.568 -15.132) 16.266 12.414 ( -14.438 -3.015 -6.406) 16.081 13.218 ( 6.499 6.269 1.407) 9.139 13.394 ( -0.363 6.172 7.723) 9.893 13.821 ( -5.715 7.118 2.287) 9.410 14.222 ( 1.909 -3.997 -14.819) 15.466 17.795 ( 10.597 -2.122 -7.919) 13.398 18.872 ( -7.318 -12.070 -3.116) 14.455 19.254 ( 6.610 1.100 -1.015) 6.778 19.983 ( -2.485 0.622 -4.089) 4.825 20.781 ( 20.981 3.573 7.634) 22.610 22.855 ( -19.563 -18.353 0.527) 26.830 23.487 ( 8.346 9.995 -6.717) 14.652 24.139 ( -16.973 7.989 -6.178) 19.750 ======================= Grid point 770 (386/432) ======================= q-point: (-0.18 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.202 1.325 11.225) 11.305 2.985 ( -2.413 3.461 13.784) 14.415 3.062 ( -4.636 -1.214 -4.035) 6.265 3.311 ( 1.842 -1.519 -5.604) 6.092 3.450 ( -2.422 -1.750 -8.927) 9.414 3.656 ( 3.025 -0.588 -7.737) 8.328 4.258 ( 6.754 5.516 5.197) 10.151 4.641 ( -6.779 10.301 -2.119) 12.512 5.789 ( 4.083 -0.847 10.956) 11.723 6.149 ( 7.847 -1.509 -3.838) 8.865 6.435 ( -3.369 -3.088 8.274) 9.452 6.602 ( 6.713 -3.602 -4.275) 8.736 6.742 ( 1.143 1.105 4.627) 4.892 7.013 ( 0.908 1.881 -5.660) 6.033 7.673 ( 8.090 -15.874 22.393) 28.616 8.601 ( -8.518 -27.826 -3.148) 29.270 9.507 ( 0.905 8.218 8.655) 11.969 9.725 ( 6.382 8.654 3.251) 11.234 9.989 ( -4.275 2.423 0.452) 4.935 10.186 ( 2.769 9.847 1.580) 10.350 10.507 ( -16.086 4.103 13.597) 21.458 11.105 ( 9.516 -3.365 -4.902) 11.221 11.192 ( 2.504 2.719 -7.289) 8.172 12.128 ( -18.097 -5.920 -12.285) 22.660 13.257 ( 9.866 10.823 -0.059) 14.645 13.408 ( -2.943 11.173 6.456) 13.235 13.736 ( -5.466 1.517 6.229) 8.425 14.138 ( 3.633 -7.199 -14.709) 16.775 17.899 ( 12.346 -0.335 -1.971) 12.506 18.621 ( -15.413 -0.859 -14.294) 21.039 19.481 ( 15.088 -6.289 2.641) 16.558 19.859 ( -10.576 -1.394 -1.131) 10.727 21.215 ( 29.270 2.066 12.801) 32.013 22.600 ( -29.181 -10.647 -9.951) 32.618 23.503 ( 12.393 5.519 -3.312) 13.965 23.823 ( -14.744 6.378 -1.909) 16.177 ======================= Grid point 771 (387/432) ======================= q-point: (-0.09 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 1.895 -0.175 9.526) 9.715 2.939 ( -1.444 -0.118 -6.936) 7.085 3.136 ( -0.263 -2.456 10.609) 10.892 3.287 ( -0.180 -3.805 -6.943) 7.919 3.376 ( -0.756 1.750 3.504) 3.989 3.576 ( 1.302 1.125 -10.947) 11.081 4.344 ( 2.579 6.332 4.225) 8.037 4.433 ( -1.983 10.222 -4.326) 11.275 5.966 ( 1.595 -1.324 10.322) 10.528 6.141 ( -0.920 -1.066 -6.633) 6.781 6.486 ( -8.228 -3.233 9.244) 12.791 6.640 ( 3.432 -1.869 -4.481) 5.946 6.791 ( -1.885 0.999 5.639) 6.029 6.947 ( 4.084 2.275 -7.908) 9.186 8.207 ( 10.665 -15.439 24.164) 30.594 8.598 ( -11.911 -23.754 -13.563) 29.834 9.588 ( 1.015 5.623 8.907) 10.582 9.708 ( 0.813 7.153 -4.217) 8.344 9.819 ( -12.973 14.969 12.485) 23.414 10.134 ( 9.067 2.571 -15.218) 17.900 10.543 ( -7.675 1.420 22.442) 23.761 10.976 ( 5.979 0.090 -19.681) 20.569 11.469 ( 15.650 -2.341 15.187) 21.932 11.793 ( -14.917 -7.035 -15.810) 22.847 13.261 ( -5.900 12.267 1.771) 13.727 13.297 ( 8.808 10.578 -2.060) 13.918 13.814 ( -2.893 -3.971 11.475) 12.483 14.074 ( 2.929 -5.283 -13.592) 14.874 18.075 ( 13.522 0.906 3.921) 14.108 18.252 ( -14.729 1.520 -13.002) 19.705 19.703 ( -7.465 -4.445 3.173) 9.249 19.748 ( 6.301 -2.672 -1.202) 6.949 21.770 ( 29.864 -0.349 16.226) 33.989 22.108 ( -29.158 -3.363 -16.272) 33.560 23.596 ( -11.367 3.474 0.281) 11.889 23.611 ( 11.272 2.573 -1.402) 11.647 ======================= Grid point 774 (388/432) ======================= q-point: ( 0.18 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.567 -0.000 -13.008) 13.102 2.670 ( 3.957 0.000 -15.279) 15.783 3.071 ( -10.292 -0.000 8.022) 13.049 3.381 ( -5.009 -0.000 2.322) 5.521 3.486 ( 6.778 0.000 3.034) 7.426 4.089 ( 1.849 0.000 14.625) 14.741 4.336 ( 10.614 0.000 3.774) 11.265 4.589 ( -1.206 -0.000 -0.882) 1.494 5.373 ( -28.085 -0.000 -3.300) 28.278 5.474 ( -6.547 -0.000 -0.587) 6.573 6.181 ( -10.849 -0.000 4.094) 11.596 6.465 ( -3.369 -0.000 0.496) 3.405 6.810 ( -0.952 -0.000 -0.867) 1.288 6.862 ( -6.174 -0.000 -5.479) 8.254 7.439 ( 4.346 0.000 -10.141) 11.033 8.836 ( -15.029 -0.000 -7.745) 16.908 9.208 ( -9.164 -0.000 -13.361) 16.202 9.421 ( -8.837 -0.000 16.056) 18.327 9.422 ( 7.665 0.000 -3.690) 8.507 10.276 ( -10.209 -0.000 18.619) 21.234 11.162 ( 23.903 0.000 -7.404) 25.023 11.265 ( 22.562 0.000 -26.872) 35.088 11.676 ( 5.229 0.000 8.950) 10.365 12.681 ( 1.784 0.000 0.815) 1.961 13.027 ( -5.650 -0.000 -9.556) 11.102 13.267 ( 12.159 0.000 4.654) 13.020 13.758 ( 6.113 0.000 -7.473) 9.654 14.174 ( -8.620 -0.000 19.601) 21.413 17.612 ( -10.386 -0.000 11.714) 15.655 18.884 ( -10.763 -0.000 -12.238) 16.298 19.516 ( 12.922 0.000 18.246) 22.359 19.632 ( -12.576 -0.000 3.818) 13.143 20.600 ( 4.119 0.000 -13.948) 14.543 22.877 ( -16.126 -0.000 1.129) 16.166 24.039 ( 18.528 0.000 14.715) 23.661 24.148 ( 9.065 0.000 -1.798) 9.241 ======================= Grid point 775 (389/432) ======================= q-point: ( 0.27 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 7.498 -0.332 -6.286) 9.790 2.621 ( 9.991 -5.817 -13.154) 17.512 3.062 ( -10.281 -0.765 14.206) 17.553 3.332 ( -6.122 -2.383 0.353) 6.579 3.573 ( 1.755 -0.555 1.741) 2.533 4.224 ( -0.774 9.890 13.464) 16.724 4.512 ( 9.065 2.963 3.279) 10.085 4.583 ( -5.355 -9.099 0.271) 10.562 4.991 ( -22.962 -1.442 -1.010) 23.029 5.444 ( -1.643 -2.085 3.179) 4.141 6.108 ( -6.779 3.223 5.949) 9.578 6.415 ( -0.892 0.375 -4.905) 5.000 6.643 ( -8.719 5.819 -4.834) 11.543 6.808 ( -6.155 -7.813 -1.096) 10.006 7.433 ( 6.111 0.727 -4.590) 7.677 8.488 ( -15.813 4.450 -11.046) 19.796 9.036 ( -5.912 -11.455 -8.054) 15.200 9.440 ( 1.037 9.186 10.382) 13.901 9.592 ( 2.636 -7.958 6.310) 10.492 10.321 ( -12.372 2.765 17.094) 21.282 11.179 ( 24.796 2.075 -33.010) 41.338 11.407 ( 18.307 11.594 1.251) 21.705 11.756 ( 1.403 -0.560 -0.668) 1.652 12.736 ( 2.651 0.151 2.939) 3.961 12.885 ( -4.477 -4.720 -5.310) 8.397 13.412 ( 5.063 -1.354 -0.462) 5.261 13.778 ( 5.916 -5.035 -6.707) 10.264 14.318 ( -4.483 0.595 19.599) 20.114 17.639 ( -10.567 -0.251 16.865) 19.904 18.585 ( -7.213 0.046 -18.939) 20.266 19.582 ( -1.252 -0.724 2.810) 3.160 19.816 ( 7.676 6.020 12.551) 15.896 20.523 ( 2.258 -4.289 -9.233) 10.428 22.696 ( -15.762 -3.070 2.091) 16.194 24.122 ( 8.423 17.627 0.013) 19.536 24.469 ( 8.261 -14.368 8.550) 18.649 ======================= Grid point 776 (390/432) ======================= q-point: ( 0.36 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 12.460 4.804 3.139) 13.718 2.691 ( 10.102 -7.394 -9.056) 15.451 3.162 ( -5.009 -2.454 17.042) 17.932 3.283 ( -4.881 -4.680 -0.784) 6.807 3.582 ( -4.021 -2.439 0.525) 4.732 4.214 ( -4.497 11.967 8.034) 15.098 4.420 ( -16.539 2.664 -3.951) 17.212 4.611 ( -1.436 -6.805 2.304) 7.327 4.971 ( 3.658 -4.709 10.203) 11.818 5.533 ( 4.243 -3.078 4.549) 6.941 6.096 ( -1.897 5.751 7.731) 9.820 6.293 ( -0.683 1.724 -11.291) 11.443 6.494 ( -5.133 1.809 1.722) 5.708 6.770 ( -10.520 -9.523 0.811) 14.213 7.438 ( 2.377 1.680 -3.238) 4.354 8.159 ( -13.388 -1.805 -9.202) 16.345 9.042 ( -1.609 -15.322 -2.818) 15.662 9.522 ( 1.103 8.718 13.844) 16.397 9.749 ( 5.007 -2.548 3.867) 6.820 10.318 ( -13.093 3.515 16.154) 21.089 11.094 ( 23.416 3.856 -31.134) 39.147 11.411 ( 2.911 20.137 -1.144) 20.378 11.799 ( 10.134 0.621 -4.105) 10.951 12.787 ( -0.323 -1.209 2.367) 2.678 12.883 ( -1.062 -6.981 1.292) 7.178 13.432 ( -0.977 -0.921 -0.693) 1.511 13.827 ( 4.762 -7.772 -6.884) 11.423 14.465 ( -2.756 1.818 14.168) 14.548 17.744 ( -8.273 -2.335 20.585) 22.308 18.273 ( -3.023 -1.636 -22.968) 23.224 19.665 ( 9.641 -0.114 0.551) 9.657 19.880 ( 1.145 12.824 3.261) 13.282 20.522 ( -0.507 -9.778 -4.086) 10.610 22.582 ( -13.300 -6.209 4.340) 15.306 24.050 ( 5.585 17.151 -2.507) 18.211 24.701 ( -0.541 -10.432 4.182) 11.252 ======================= Grid point 777 (391/432) ======================= q-point: ( 0.45 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 9.485 8.385 9.502) 15.829 2.764 ( 3.415 -2.092 -0.468) 4.032 3.252 ( -5.339 -7.498 1.059) 9.265 3.331 ( 2.739 -0.517 6.548) 7.117 3.536 ( -7.886 -6.191 -0.737) 10.053 4.131 ( -0.944 12.988 0.630) 13.038 4.154 ( -14.671 0.290 0.525) 14.683 4.687 ( -1.221 -7.403 3.742) 8.384 5.216 ( 7.265 -3.488 10.908) 13.562 5.682 ( 7.514 -1.309 3.597) 8.433 6.079 ( 4.092 6.581 -3.643) 8.563 6.254 ( 0.112 -1.299 7.337) 7.452 6.485 ( 0.096 -0.189 2.552) 2.561 6.724 ( -13.226 -11.940 3.259) 18.114 7.387 ( -0.145 3.202 -4.322) 5.381 7.986 ( -9.719 -10.977 -3.735) 15.130 9.166 ( 0.609 -16.156 1.999) 16.291 9.629 ( -0.213 8.986 15.837) 18.209 9.844 ( 6.842 3.630 -0.021) 7.745 10.306 ( -12.842 3.223 16.094) 20.840 11.008 ( 18.595 5.645 -23.993) 30.876 11.209 ( -0.428 14.856 -8.036) 16.896 11.858 ( 10.731 8.273 -4.580) 14.303 12.773 ( -6.437 -0.180 0.262) 6.445 12.984 ( 2.230 -5.949 5.066) 8.126 13.417 ( -2.841 -1.456 1.558) 3.552 13.858 ( 3.315 -7.041 -7.727) 10.967 14.520 ( -4.627 4.361 7.549) 9.870 17.847 ( -1.259 0.327 -2.954) 3.228 18.123 ( -0.843 -10.916 2.550) 11.242 19.720 ( -2.800 9.608 -4.269) 10.880 19.851 ( 14.122 4.236 -0.003) 14.744 20.550 ( -0.691 -8.598 -3.318) 9.242 22.553 ( -11.000 -9.442 6.252) 15.787 23.932 ( 3.596 15.748 -4.078) 16.660 24.720 ( -8.693 -5.650 -1.932) 10.547 ======================= Grid point 778 (392/432) ======================= q-point: (-0.45 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -0.668 9.356 10.638) 14.183 2.835 ( 1.409 0.656 7.692) 7.847 3.243 ( -4.920 -6.733 -2.742) 8.778 3.391 ( 1.391 1.118 -0.723) 1.926 3.470 ( -7.818 -9.196 -3.305) 12.514 3.956 ( 1.809 11.978 -7.285) 14.135 4.118 ( -3.308 2.903 9.366) 10.348 4.784 ( -1.552 -7.326 4.484) 8.729 5.437 ( 6.239 -1.917 7.938) 10.276 5.827 ( 8.885 0.209 2.925) 9.356 6.108 ( 10.533 1.990 -0.794) 10.749 6.383 ( -0.120 -1.768 9.511) 9.675 6.551 ( 4.371 -1.747 2.100) 5.154 6.738 ( -10.433 -14.533 8.762) 19.921 7.292 ( -1.294 3.907 -4.723) 6.265 7.983 ( -8.580 -18.245 0.927) 20.183 9.370 ( 2.977 -15.235 6.409) 16.794 9.714 ( -3.871 8.022 15.003) 17.447 9.866 ( 8.277 11.309 -2.123) 14.174 10.310 ( -11.602 2.885 16.763) 20.589 10.924 ( 3.659 10.551 -4.745) 12.133 11.020 ( 11.682 2.799 -22.004) 25.070 11.802 ( 5.218 13.509 -8.198) 16.641 12.629 ( -12.193 0.647 -3.150) 12.610 13.133 ( 4.366 -2.822 6.125) 8.034 13.426 ( -1.880 -0.924 3.539) 4.112 13.858 ( 2.851 -5.313 -7.735) 9.807 14.443 ( -7.782 7.144 1.665) 10.694 17.746 ( 6.786 -1.662 -14.527) 16.120 18.385 ( -0.113 -14.695 17.041) 22.502 19.503 ( -6.409 9.134 -6.547) 12.937 19.993 ( 8.959 0.668 -2.408) 9.301 20.602 ( 9.646 -2.698 -2.888) 10.424 22.579 ( -11.800 -12.780 6.520) 18.577 23.794 ( 2.999 13.777 -5.202) 15.029 24.540 ( -14.344 -0.504 -6.627) 15.809 ======================= Grid point 779 (393/432) ======================= q-point: (-0.36 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -4.090 6.269 10.279) 12.716 2.945 ( -2.042 1.758 12.335) 12.626 3.158 ( -6.948 -2.623 -4.426) 8.646 3.343 ( -1.614 -2.967 -7.093) 7.856 3.436 ( -1.585 -6.441 -4.129) 7.814 3.808 ( 4.138 10.398 -8.482) 14.042 4.216 ( 4.183 4.185 10.264) 11.848 4.838 ( -3.693 -2.034 2.738) 5.027 5.609 ( 5.432 -0.328 7.969) 9.650 5.985 ( 9.884 -1.990 1.440) 10.184 6.260 ( 10.155 -1.463 1.577) 10.380 6.480 ( -0.885 -2.127 6.018) 6.444 6.652 ( 6.385 -1.205 0.723) 6.538 6.923 ( -2.375 -16.331 13.333) 21.216 7.195 ( -2.269 2.474 -1.584) 3.712 8.057 ( -9.748 -23.539 1.149) 25.503 9.634 ( 5.446 -12.822 7.832) 15.981 9.719 ( -6.419 7.664 8.655) 13.223 9.859 ( 8.103 15.130 4.023) 17.628 10.345 ( -10.172 3.152 17.936) 20.859 10.797 ( -6.255 8.893 0.416) 10.880 10.981 ( 20.483 -0.945 -20.988) 29.342 11.576 ( -1.454 16.120 -11.930) 20.107 12.385 ( -16.044 -0.619 -7.082) 17.549 13.281 ( 6.320 0.490 5.937) 8.685 13.465 ( 1.147 2.204 4.794) 5.400 13.848 ( 1.603 -3.943 -5.946) 7.312 14.250 ( -9.606 7.439 -3.836) 12.741 17.756 ( 11.377 -2.422 -7.451) 13.814 18.657 ( -3.226 -12.753 8.493) 15.658 19.303 ( -0.995 4.658 -5.378) 7.184 19.971 ( -5.819 -2.163 -4.809) 7.852 20.833 ( 25.924 2.346 2.247) 26.127 22.574 ( -17.445 -14.558 3.527) 22.993 23.672 ( 4.946 11.581 -5.587) 13.777 24.237 ( -16.272 3.623 -7.332) 18.212 ======================= Grid point 780 (394/432) ======================= q-point: (-0.27 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -2.029 2.735 10.248) 10.799 3.027 ( -4.965 1.189 11.288) 12.389 3.038 ( -4.045 -1.553 -5.357) 6.890 3.261 ( -0.800 -4.106 -8.499) 9.473 3.422 ( -1.073 -1.133 -1.008) 1.858 3.698 ( 4.821 5.224 -9.583) 11.932 4.363 ( 7.625 6.213 8.372) 12.916 4.774 ( -5.593 4.787 -1.214) 7.461 5.780 ( 4.134 -0.310 10.246) 11.052 6.115 ( 6.152 -2.969 -2.471) 7.264 6.391 ( 1.268 -1.732 5.003) 5.444 6.540 ( 3.220 -3.513 -2.092) 5.205 6.758 ( 4.675 0.723 4.297) 6.390 7.033 ( -2.288 -0.295 -2.804) 3.631 7.371 ( 6.247 -18.077 17.301) 25.790 8.132 ( -10.773 -27.224 -2.577) 29.392 9.662 ( -3.704 9.291 7.873) 12.729 9.832 ( 2.066 -3.931 0.912) 4.533 9.943 ( 6.951 7.240 10.840) 14.773 10.395 ( -6.244 6.521 14.019) 16.674 10.619 ( -9.947 9.229 0.956) 13.602 11.042 ( 14.433 -3.753 -15.398) 21.436 11.317 ( 5.572 13.566 -7.583) 16.510 12.060 ( -18.983 -1.964 -11.334) 22.196 13.425 ( 8.542 5.257 5.812) 11.593 13.523 ( 2.623 5.054 5.720) 8.071 13.805 ( -5.180 2.902 -0.331) 5.947 14.027 ( -4.518 -2.165 -11.381) 12.435 17.892 ( 13.416 -0.516 0.007) 13.426 18.601 ( -13.077 -1.587 -7.704) 15.260 19.372 ( 11.123 -6.047 2.110) 12.835 19.820 ( -11.381 -3.360 -4.051) 12.539 21.253 ( 31.227 2.294 8.075) 32.335 22.406 ( -25.556 -11.625 -4.163) 28.383 23.621 ( 8.768 8.079 -3.810) 12.517 23.924 ( -14.887 5.370 -4.130) 16.356 ======================= Grid point 781 (395/432) ======================= q-point: (-0.18 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 0.963 0.419 9.369) 9.428 2.939 ( -0.858 0.096 -6.683) 6.739 3.091 ( -2.880 -2.553 7.356) 8.302 3.213 ( 0.926 -4.611 -6.233) 7.809 3.411 ( -3.049 2.450 5.563) 6.801 3.610 ( 4.888 2.887 -11.277) 12.626 4.477 ( 2.319 8.132 7.244) 11.135 4.609 ( -1.133 9.541 -5.485) 11.063 5.944 ( 1.022 -1.124 10.196) 10.309 6.117 ( -0.704 -1.769 -6.424) 6.700 6.435 ( -8.142 -2.503 7.847) 11.582 6.591 ( 8.174 -3.534 -6.824) 11.220 6.820 ( -6.877 1.918 8.251) 10.911 6.978 ( 5.025 1.000 -6.643) 8.389 7.877 ( 11.092 -22.419 18.372) 31.035 8.155 ( -11.643 -27.568 -8.972) 31.242 9.671 ( -2.668 4.850 10.496) 11.866 9.814 ( -0.923 4.274 -3.731) 5.748 10.056 ( -3.077 10.570 10.163) 14.983 10.262 ( 0.288 13.073 -8.119) 15.392 10.571 ( -8.077 1.911 19.338) 21.044 10.979 ( 9.269 0.143 -19.324) 21.433 11.456 ( 19.876 1.938 7.323) 21.271 11.687 ( -18.218 -4.048 -13.751) 23.181 13.503 ( -6.546 13.463 2.662) 15.205 13.515 ( 10.711 15.110 0.992) 18.548 13.725 ( -6.237 -5.393 7.953) 11.456 13.947 ( 3.447 -9.550 -12.639) 16.212 18.098 ( 13.456 1.707 5.655) 14.696 18.287 ( -13.872 2.483 -11.872) 18.426 19.601 ( -1.065 -7.516 4.278) 8.714 19.686 ( 0.731 -4.612 -3.796) 6.018 21.761 ( 25.157 -0.696 13.144) 28.392 22.031 ( -23.202 -5.484 -12.815) 27.067 23.669 ( -3.350 4.375 -0.602) 5.543 23.676 ( 1.594 5.482 -1.282) 5.851 ======================= Grid point 782 (396/432) ======================= q-point: (-0.09 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.639 0.911 -8.164) 8.239 2.910 ( 4.226 -0.571 7.436) 8.573 3.159 ( -2.181 -3.058 2.215) 4.360 3.211 ( 1.620 -3.464 -0.930) 3.936 3.439 ( -2.545 -0.297 4.081) 4.819 3.521 ( 3.987 4.147 -4.994) 7.618 4.334 ( -8.918 8.986 -1.798) 12.787 4.606 ( 10.048 10.369 0.750) 14.458 5.993 ( -6.384 -1.262 -8.018) 10.326 6.036 ( -5.153 -1.629 6.812) 8.695 6.423 ( -10.356 -3.976 6.605) 12.910 6.634 ( 3.069 -0.199 -3.244) 4.470 6.754 ( -8.754 -1.832 2.499) 9.286 6.986 ( 6.446 3.796 -3.426) 8.228 8.067 ( -12.031 -22.156 -15.877) 29.795 8.412 ( 9.733 -22.856 15.655) 29.364 9.614 ( -9.793 8.228 -1.424) 12.870 9.762 ( 0.742 5.949 1.201) 6.115 9.879 ( -13.573 7.967 10.071) 18.685 10.206 ( 9.090 11.851 -5.648) 15.968 10.727 ( -0.134 -2.331 12.675) 12.889 10.890 ( 9.786 3.539 -11.003) 15.144 11.395 ( -6.133 -8.082 -15.329) 18.383 11.858 ( 20.639 -2.925 13.213) 24.680 13.271 ( -8.401 13.737 -1.198) 16.147 13.498 ( 6.920 13.816 -2.803) 15.704 13.847 ( -4.985 -7.886 10.653) 14.160 13.932 ( 5.100 -3.529 -9.237) 11.126 17.959 ( -13.783 1.733 -7.682) 15.875 18.363 ( 15.052 2.126 9.916) 18.150 19.502 ( -14.741 -5.158 0.642) 15.631 19.848 ( 8.719 -3.299 0.316) 9.327 21.503 ( -28.034 -3.295 -14.554) 31.758 22.357 ( 31.471 -2.571 12.834) 34.085 23.470 ( -12.024 4.305 0.271) 12.774 23.793 ( 12.314 3.618 0.852) 12.862 ======================= Grid point 786 (397/432) ======================= q-point: ( 0.27 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 16.484 0.000 3.258) 16.803 2.604 ( 12.453 0.000 -10.703) 16.420 3.146 ( -5.302 -0.000 18.423) 19.171 3.238 ( -6.832 -0.000 0.165) 6.834 3.565 ( -5.011 -0.000 1.017) 5.113 4.358 ( -15.721 -0.000 9.086) 18.158 4.437 ( -7.411 -0.000 -1.084) 7.490 4.512 ( -3.879 -0.000 -0.675) 3.937 4.937 ( 5.584 0.000 11.297) 12.602 5.501 ( 4.066 0.000 5.000) 6.445 6.148 ( -2.893 -0.000 9.331) 9.769 6.312 ( 0.766 0.000 -13.489) 13.511 6.517 ( -7.218 -0.000 0.473) 7.234 6.676 ( -9.797 -0.000 1.254) 9.877 7.452 ( 1.157 0.000 -1.446) 1.851 8.148 ( -15.858 -0.000 -12.710) 20.323 8.898 ( 0.489 0.000 -1.989) 2.048 9.630 ( -5.636 -0.000 17.590) 18.470 9.701 ( 13.119 0.000 1.533) 13.208 10.346 ( -15.880 -0.000 17.626) 23.724 11.120 ( 25.984 0.000 -35.424) 43.932 11.669 ( -3.475 -0.000 -7.769) 8.511 11.748 ( 19.137 0.000 2.436) 19.291 12.790 ( -0.325 -0.000 -0.234) 0.400 12.795 ( -1.262 -0.000 3.541) 3.760 13.423 ( -0.835 -0.000 -0.700) 1.089 13.755 ( 5.384 0.000 -6.165) 8.185 14.482 ( -3.495 -0.000 15.950) 16.329 17.724 ( -9.724 -0.000 21.558) 23.649 18.259 ( -3.966 -0.000 -24.140) 24.463 19.664 ( 10.181 0.000 0.712) 10.206 20.025 ( 1.092 0.000 7.518) 7.597 20.404 ( -0.373 -0.000 -8.521) 8.529 22.529 ( -13.675 -0.000 4.708) 14.462 24.245 ( 3.988 0.000 -4.966) 6.369 24.565 ( 0.731 0.000 7.412) 7.447 ======================= Grid point 787 (398/432) ======================= q-point: ( 0.36 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 12.370 4.987 4.039) 13.936 2.705 ( 11.153 -4.211 -2.570) 12.195 3.163 ( -6.570 -2.633 0.382) 7.088 3.320 ( -0.881 -0.483 15.257) 15.290 3.476 ( -9.759 -1.514 0.038) 9.876 4.155 ( -14.946 0.159 1.919) 15.070 4.314 ( -3.162 7.396 -0.003) 8.044 4.568 ( -3.108 -5.683 5.092) 8.239 5.181 ( 7.732 -0.685 12.097) 14.373 5.647 ( 7.150 -1.812 5.134) 8.987 6.167 ( 2.639 2.910 -8.880) 9.710 6.250 ( -0.190 0.455 10.438) 10.450 6.486 ( -0.153 0.146 1.682) 1.695 6.574 ( -12.619 -4.939 3.319) 13.952 7.430 ( -2.433 1.615 0.102) 2.922 7.844 ( -12.672 -5.025 -9.406) 16.562 8.968 ( 4.427 -6.328 2.709) 8.185 9.744 ( -5.175 3.785 17.762) 18.884 9.885 ( 12.482 1.185 0.611) 12.553 10.332 ( -17.580 0.500 18.509) 25.532 11.044 ( 25.184 0.565 -34.290) 42.548 11.459 ( -3.327 10.100 -11.182) 15.431 11.978 ( 15.849 4.592 -0.796) 16.520 12.766 ( -6.781 -0.270 0.736) 6.826 12.874 ( 3.152 -5.320 5.570) 8.323 13.392 ( -3.603 -1.024 0.462) 3.774 13.768 ( 4.685 -2.960 -5.515) 7.819 14.573 ( -5.702 1.704 10.755) 12.292 17.870 ( -4.866 2.303 11.560) 12.753 17.974 ( -1.277 -6.261 -11.796) 13.415 19.804 ( 9.348 1.277 -3.319) 10.002 19.999 ( -1.491 10.290 0.953) 10.441 20.379 ( 3.422 -9.735 -5.445) 11.668 22.449 ( -11.076 -3.063 6.482) 13.194 24.166 ( 1.359 10.019 -5.487) 11.504 24.605 ( -7.299 -6.277 0.919) 9.670 ======================= Grid point 788 (399/432) ======================= q-point: ( 0.45 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.095 5.300 7.041) 8.813 2.825 ( 7.478 -1.219 1.502) 7.724 3.122 ( -4.695 -6.112 -1.269) 7.811 3.342 ( -11.327 -4.069 -1.118) 12.087 3.437 ( -1.375 1.542 5.116) 5.517 4.067 ( -0.492 2.115 -0.684) 2.276 4.245 ( 0.422 10.472 4.524) 11.415 4.638 ( -3.769 -9.157 5.497) 11.326 5.406 ( 6.221 -1.354 9.688) 11.593 5.807 ( 6.158 -2.159 3.821) 7.562 6.149 ( 7.892 1.764 -2.468) 8.455 6.370 ( -0.106 0.044 9.234) 9.234 6.532 ( -1.922 -2.439 6.372) 7.088 6.547 ( -2.469 -5.325 3.989) 7.097 7.356 ( -3.743 3.875 -1.705) 5.651 7.707 ( -10.724 -13.900 -2.546) 17.740 9.165 ( 6.932 -8.422 7.454) 13.212 9.827 ( -7.584 5.140 16.598) 18.959 10.016 ( 12.332 5.743 -0.663) 13.620 10.322 ( -17.428 -0.572 19.503) 26.161 10.982 ( 23.604 0.143 -30.282) 38.395 11.186 ( -2.942 11.766 -11.822) 16.936 12.049 ( 11.129 13.511 -5.143) 18.244 12.630 ( -12.636 -0.486 -2.867) 12.967 13.051 ( 5.097 -6.037 6.161) 10.019 13.378 ( -2.907 -3.746 1.725) 5.045 13.789 ( 4.210 -2.390 -4.952) 6.925 14.546 ( -9.664 4.468 6.095) 12.267 17.727 ( 6.302 -0.578 -16.993) 18.133 18.182 ( -2.958 -8.854 22.205) 24.088 19.669 ( -7.534 9.660 -7.113) 14.166 19.986 ( 0.316 -1.531 -2.257) 2.746 20.532 ( 19.580 -4.764 -4.063) 20.556 22.422 ( -11.281 -5.962 6.518) 14.328 24.015 ( -0.168 11.542 -5.475) 12.776 24.495 ( -12.558 -4.261 -4.735) 14.081 ======================= Grid point 789 (400/432) ======================= q-point: (-0.45 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -6.607 4.605 7.584) 11.063 2.956 ( 1.286 0.244 7.480) 7.593 3.099 ( -3.492 -4.376 -2.983) 6.344 3.232 ( -5.441 -7.011 -4.299) 9.861 3.418 ( -1.899 1.358 -0.804) 2.469 3.980 ( 2.701 8.890 -9.648) 13.394 4.302 ( 3.633 6.292 12.021) 14.046 4.745 ( -1.817 -8.234 4.630) 9.619 5.597 ( 5.816 -1.148 8.239) 10.150 5.933 ( 3.756 -4.062 2.826) 6.212 6.257 ( 10.498 0.128 -0.071) 10.499 6.450 ( -1.352 -1.530 5.862) 6.207 6.642 ( 7.527 -0.224 1.712) 7.722 6.682 ( -1.139 -10.088 13.099) 16.573 7.246 ( -4.897 3.218 -1.707) 6.103 7.697 ( -11.025 -18.815 -0.061) 21.808 9.445 ( 8.098 -8.541 10.432) 15.728 9.843 ( -8.395 6.481 12.768) 16.598 10.090 ( 6.962 10.542 3.731) 13.173 10.351 ( -12.505 -1.638 17.933) 21.923 10.935 ( 0.445 7.793 -12.966) 15.134 10.964 ( 19.526 -0.259 -22.009) 29.423 11.910 ( 3.299 20.917 -9.192) 23.085 12.386 ( -16.318 0.464 -6.399) 17.534 13.236 ( 5.378 -5.232 5.289) 9.180 13.431 ( 2.004 -6.380 1.498) 6.853 13.799 ( 4.012 -0.099 -4.583) 6.092 14.391 ( -13.640 7.602 2.369) 15.794 17.718 ( 12.039 -1.931 -7.240) 14.180 18.467 ( -1.990 -9.347 16.548) 19.110 19.403 ( -6.879 6.925 -7.613) 12.379 19.910 ( -8.537 -4.902 -5.388) 11.223 20.857 ( 31.411 0.541 -1.331) 31.444 22.379 ( -15.732 -8.498 4.587) 18.459 23.860 ( 0.552 10.311 -5.030) 11.486 24.264 ( -14.333 -0.265 -7.004) 15.955 ======================= Grid point 790 (401/432) ======================= q-point: (-0.36 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -4.503 2.478 9.109) 10.460 3.004 ( -1.387 -2.109 -3.045) 3.955 3.031 ( -6.323 -0.961 4.789) 7.990 3.202 ( -0.272 -2.253 -5.654) 6.092 3.407 ( 1.000 -0.850 2.025) 2.413 3.810 ( 1.227 7.478 -10.585) 13.017 4.455 ( 6.177 4.790 10.039) 12.723 4.794 ( -2.321 -2.027 0.174) 3.086 5.772 ( 4.491 -0.955 8.877) 9.994 6.038 ( 2.037 -6.058 0.612) 6.420 6.381 ( 6.723 -0.029 0.846) 6.776 6.493 ( -0.197 -1.865 0.825) 2.049 6.766 ( 6.026 0.243 3.934) 7.200 6.939 ( 2.765 -10.932 7.102) 13.326 7.180 ( -2.205 -3.106 5.540) 6.723 7.714 ( -10.688 -21.878 -2.554) 24.482 9.715 ( 6.413 -5.781 7.019) 11.127 9.806 ( -8.383 6.609 10.179) 14.750 10.130 ( 0.338 10.888 11.660) 15.957 10.434 ( -5.441 -0.156 14.359) 15.356 10.750 ( -1.803 6.283 -7.823) 10.195 10.988 ( 18.079 -2.596 -20.030) 27.107 11.637 ( 2.877 22.404 -8.429) 24.109 12.061 ( -17.574 1.904 -9.493) 20.065 13.388 ( -0.052 -6.078 7.249) 9.460 13.577 ( 10.907 -6.028 -0.765) 12.485 13.786 ( 3.958 3.251 -4.283) 6.677 14.132 ( -15.807 9.853 -0.581) 18.635 17.882 ( 14.815 -0.596 2.114) 14.977 18.567 ( -9.107 -2.382 0.594) 9.433 19.295 ( 3.305 -2.845 -0.298) 4.371 19.750 ( -10.736 -4.810 -6.527) 13.453 21.287 ( 33.962 1.546 2.945) 34.124 22.230 ( -23.026 -8.913 -0.494) 24.696 23.758 ( 3.796 7.841 -3.496) 9.387 23.996 ( -13.133 3.176 -5.108) 14.445 ======================= Grid point 791 (402/432) ======================= q-point: (-0.27 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -0.700 0.674 8.962) 9.014 2.940 ( 0.723 -0.164 -5.968) 6.014 3.057 ( -2.359 -1.483 4.429) 5.233 3.144 ( 0.055 -3.203 -5.029) 5.962 3.457 ( -2.775 2.980 7.567) 8.593 3.666 ( 4.033 3.468 -11.491) 12.662 4.585 ( 0.720 4.432 8.391) 9.517 4.730 ( 1.679 4.720 -5.619) 7.528 5.926 ( 1.068 -1.277 9.185) 9.335 6.070 ( -1.644 -4.277 -4.047) 6.113 6.414 ( -6.494 0.132 4.839) 8.100 6.533 ( 8.298 -3.141 -5.792) 10.596 6.846 ( -6.580 1.105 7.718) 10.203 6.976 ( 3.471 -1.320 -4.480) 5.819 7.506 ( 10.925 -20.267 13.799) 26.843 7.716 ( -9.797 -23.464 -7.304) 26.456 9.751 ( -8.300 4.497 9.386) 13.312 9.852 ( 3.796 0.920 -0.453) 3.932 10.198 ( -4.236 6.869 16.709) 18.556 10.460 ( -3.089 7.582 -4.786) 9.483 10.618 ( -6.310 4.115 9.612) 12.212 10.979 ( 14.360 -0.127 -19.401) 24.138 11.559 ( 14.973 10.442 1.017) 18.283 11.692 ( -15.458 4.958 -10.556) 19.364 13.528 ( -2.642 -8.465 9.819) 13.230 13.721 ( 0.754 -7.253 -6.614) 9.845 13.777 ( 9.496 14.652 2.000) 17.574 13.831 ( -8.006 6.615 -4.738) 11.415 18.130 ( 14.233 2.025 7.725) 16.320 18.332 ( -13.457 2.702 -10.354) 17.193 19.464 ( 1.689 -8.382 5.865) 10.369 19.602 ( -1.518 -5.125 -6.900) 8.728 21.748 ( 18.272 -0.833 8.648) 20.233 21.933 ( -14.573 -5.924 -9.201) 18.224 23.746 ( -1.728 4.584 0.307) 4.909 23.774 ( -1.869 5.822 -2.321) 6.540 ======================= Grid point 792 (403/432) ======================= q-point: (-0.18 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 2.734 2.047 -8.113) 8.802 2.897 ( 2.594 -0.936 7.706) 8.185 3.108 ( -0.612 -2.671 5.888) 6.495 3.156 ( 2.990 -3.058 -3.006) 5.228 3.442 ( -6.455 0.999 4.369) 7.858 3.600 ( 6.087 4.766 -5.977) 9.772 4.480 ( -9.224 7.696 -2.326) 12.236 4.755 ( 10.217 6.501 -0.138) 12.111 5.966 ( -7.096 -1.939 -6.019) 9.505 6.016 ( -4.222 -0.924 5.400) 6.917 6.367 ( -9.949 -2.400 4.965) 11.375 6.601 ( 8.497 -2.786 -6.182) 10.871 6.752 ( -14.677 0.810 4.996) 15.525 7.025 ( 6.726 0.524 -2.174) 7.089 7.674 ( -8.924 -22.789 -12.004) 27.259 8.004 ( 12.683 -24.488 10.646) 29.561 9.717 ( -6.858 3.107 4.598) 8.822 9.820 ( -2.379 4.407 0.839) 5.077 10.102 ( -14.073 15.247 -0.896) 20.768 10.354 ( 3.378 4.351 4.754) 7.276 10.684 ( -5.277 -3.123 9.221) 11.073 10.961 ( 15.674 3.986 -12.823) 20.640 11.345 ( -8.922 4.656 -9.991) 14.181 11.840 ( 21.485 1.273 8.965) 23.315 13.507 ( -11.565 12.876 -2.229) 17.450 13.660 ( -0.481 0.124 -5.652) 5.674 13.687 ( -4.004 -9.569 9.245) 13.895 13.932 ( 15.448 7.297 -1.865) 17.186 17.993 ( -14.699 2.164 -9.085) 17.415 18.406 ( 14.621 2.848 9.557) 17.699 19.411 ( -12.151 -5.110 -0.635) 13.198 19.769 ( 12.283 -6.138 0.832) 13.756 21.439 ( -30.635 -4.008 -9.481) 32.318 22.299 ( 31.438 -4.204 5.680) 32.223 23.567 ( -10.889 7.071 1.423) 13.061 23.857 ( 11.008 3.689 2.306) 11.837 ======================= Grid point 793 (404/432) ======================= q-point: (-0.09 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 2.539 3.597 -10.706) 11.576 3.037 ( 0.774 -0.733 8.849) 8.913 3.127 ( -0.019 0.690 -5.731) 5.773 3.223 ( 0.936 -1.619 5.089) 5.422 3.436 ( 1.140 -2.378 2.419) 3.579 3.592 ( 2.430 3.597 1.715) 4.667 4.276 ( -4.360 6.844 -4.378) 9.220 4.808 ( 7.400 8.511 -0.221) 11.281 5.781 ( -10.103 -1.301 -7.347) 12.560 5.965 ( -12.506 -0.249 3.081) 12.882 6.309 ( -11.273 -4.099 3.288) 12.438 6.600 ( -10.365 1.562 2.615) 10.804 6.668 ( 3.373 -4.785 -3.701) 6.926 7.061 ( 4.303 3.406 -1.424) 5.670 7.590 ( -6.259 -18.334 -14.995) 24.498 8.449 ( 8.128 -24.203 5.613) 26.141 9.548 ( -10.578 11.763 -0.832) 15.841 9.784 ( -5.074 11.226 -3.765) 12.882 9.864 ( -6.771 -6.019 8.612) 12.499 10.308 ( -6.287 13.938 -2.789) 15.543 10.716 ( 0.057 -6.556 0.691) 6.593 11.086 ( 14.191 0.065 2.333) 14.381 11.202 ( 8.116 0.694 -9.844) 12.777 12.239 ( 19.634 -2.691 10.226) 22.300 13.256 ( -6.598 11.133 -2.399) 13.162 13.550 ( -1.020 4.742 -7.156) 8.645 13.815 ( -3.990 -7.373 7.298) 11.115 14.019 ( 9.811 8.870 0.838) 13.253 17.734 ( -12.856 -0.341 -2.416) 13.085 18.699 ( 13.819 -0.013 11.347) 17.881 19.287 ( -9.865 -2.956 -2.112) 10.513 19.918 ( 1.422 -0.418 2.548) 2.948 20.992 ( -20.364 -3.509 -12.927) 24.374 22.809 ( 26.996 -10.249 5.679) 29.429 23.381 ( -11.387 9.002 2.868) 14.796 24.024 ( 12.914 4.765 5.036) 14.657 ======================= Grid point 798 (405/432) ======================= q-point: ( 0.36 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 13.086 0.000 -0.621) 13.101 2.808 ( -1.819 -0.000 5.330) 5.632 3.070 ( -4.892 -0.000 -1.253) 5.050 3.306 ( -13.234 -0.000 0.034) 13.234 3.452 ( -2.534 -0.000 7.902) 8.299 4.081 ( 0.193 0.000 0.786) 0.809 4.369 ( 4.419 0.000 3.466) 5.616 4.527 ( -8.830 -0.000 6.025) 10.690 5.396 ( 6.124 0.000 9.917) 11.655 5.782 ( 5.071 0.000 4.409) 6.720 6.162 ( 5.900 0.000 -2.447) 6.387 6.367 ( -1.135 -0.000 6.702) 6.797 6.491 ( -6.184 -0.000 10.566) 12.243 6.536 ( 4.885 0.000 1.464) 5.100 7.408 ( -4.994 -0.000 2.528) 5.597 7.564 ( -11.159 -0.000 -6.902) 13.121 9.094 ( 8.872 0.000 7.740) 11.773 9.873 ( -8.758 -0.000 17.989) 20.007 10.061 ( 13.738 0.000 -1.649) 13.837 10.313 ( -19.756 -0.000 20.511) 28.478 10.982 ( 24.616 0.000 -32.268) 40.585 11.300 ( -2.510 -0.000 -15.347) 15.550 12.177 ( 13.680 0.000 -4.003) 14.253 12.622 ( -12.550 -0.000 -2.620) 12.821 12.987 ( 5.608 0.000 6.118) 8.300 13.340 ( -4.689 -0.000 1.235) 4.849 13.771 ( 5.052 0.000 -3.088) 5.921 14.584 ( -10.015 -0.000 7.263) 12.371 17.724 ( 6.230 0.000 -18.904) 19.904 18.105 ( -4.027 -0.000 25.125) 25.446 19.771 ( -6.190 -0.000 -7.754) 9.922 19.959 ( -8.150 -0.000 -2.142) 8.426 20.483 ( 26.516 0.000 -4.049) 26.823 22.374 ( -10.859 -0.000 6.324) 12.566 24.130 ( -1.918 -0.000 -6.503) 6.780 24.442 ( -11.503 -0.000 -3.074) 11.907 ======================= Grid point 799 (406/432) ======================= q-point: ( 0.45 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -8.452 1.596 6.237) 10.625 2.971 ( 6.065 1.672 3.322) 7.115 3.024 ( 1.077 -3.889 -1.497) 4.304 3.149 ( -8.910 -2.595 -1.654) 9.426 3.441 ( -4.974 0.943 0.561) 5.094 4.080 ( 3.899 2.903 -8.601) 9.879 4.431 ( 0.034 8.866 10.595) 13.815 4.590 ( 0.169 -9.603 6.693) 11.707 5.578 ( 5.688 -0.726 8.100) 9.925 5.868 ( 0.207 -2.725 3.238) 4.237 6.251 ( 7.595 -0.528 1.146) 7.699 6.419 ( 0.287 -1.512 4.619) 4.869 6.610 ( 0.907 -0.278 12.142) 12.179 6.640 ( 7.585 -0.072 2.052) 7.858 7.310 ( -7.174 5.007 -0.985) 8.804 7.441 ( -9.763 -11.339 -0.710) 14.980 9.351 ( 10.511 -2.760 11.396) 15.747 9.927 ( -11.819 2.984 16.270) 20.330 10.203 ( 11.826 3.339 -0.713) 12.309 10.312 ( -16.754 -2.199 20.060) 26.229 10.947 ( 23.303 -0.425 -27.700) 36.201 11.069 ( -1.881 5.143 -14.497) 15.497 12.192 ( 5.421 10.281 -8.373) 14.324 12.394 ( -15.159 0.215 -5.240) 16.040 13.144 ( 8.254 -4.099 2.139) 9.461 13.318 ( -3.464 -4.690 1.647) 6.059 13.817 ( 6.214 1.099 -1.171) 6.418 14.480 ( -14.461 2.762 4.399) 15.365 17.695 ( 12.388 -0.738 -7.205) 14.350 18.357 ( -1.805 -3.419 20.853) 21.208 19.513 ( -11.720 4.887 -8.984) 15.555 19.825 ( -8.732 -4.124 -5.466) 11.097 20.858 ( 35.014 -0.102 -2.790) 35.125 22.287 ( -14.741 -2.641 4.521) 15.643 23.998 ( -3.326 5.183 -5.117) 8.006 24.241 ( -11.930 -1.675 -6.163) 13.532 ======================= Grid point 800 (407/432) ======================= q-point: ( 0.55 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -5.878 1.378 8.037) 10.052 2.974 ( -1.131 -1.070 -3.046) 3.421 3.003 ( -4.559 -2.007 1.147) 5.111 3.187 ( 2.806 -0.031 -0.755) 2.906 3.393 ( 0.607 -0.743 2.287) 2.480 3.923 ( -2.604 5.287 -11.219) 12.673 4.527 ( 1.531 3.783 11.385) 12.094 4.731 ( 3.579 -4.511 1.161) 5.874 5.745 ( 4.447 -1.901 7.323) 8.776 5.930 ( -1.224 -5.985 2.429) 6.574 6.370 ( 7.549 -1.143 0.457) 7.649 6.475 ( -0.646 -0.665 1.951) 2.160 6.767 ( 6.057 -0.082 3.709) 7.103 6.795 ( 5.509 -4.410 9.153) 11.557 7.179 ( -7.842 1.416 1.471) 8.103 7.417 ( -7.566 -13.135 -2.427) 15.351 9.640 ( 9.638 -2.942 10.272) 14.390 9.897 ( -13.570 3.974 12.682) 18.994 10.267 ( -9.531 5.351 16.757) 20.007 10.412 ( 5.563 -2.015 4.791) 7.613 10.849 ( -1.550 5.298 -10.739) 12.074 10.956 ( 20.339 -1.259 -22.192) 30.128 11.987 ( 0.105 17.180 -9.772) 19.765 12.112 ( -14.491 3.496 -6.744) 16.361 13.280 ( -0.070 -5.447 3.945) 6.726 13.394 ( 6.148 -11.628 -3.442) 13.596 13.886 ( 9.413 5.434 0.486) 10.880 14.272 ( -17.343 6.031 2.240) 18.498 17.873 ( 16.002 -0.426 3.678) 16.424 18.528 ( -5.308 -2.025 7.623) 9.507 19.276 ( -5.871 0.200 -3.223) 6.700 19.670 ( -8.127 -4.167 -7.983) 12.130 21.304 ( 36.432 0.569 -0.812) 36.445 22.116 ( -21.867 -4.548 1.120) 22.363 23.871 ( -1.528 5.145 -2.793) 6.050 24.031 ( -9.882 0.978 -5.514) 11.358 ======================= Grid point 801 (408/432) ======================= q-point: (-0.36 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -1.301 0.834 7.862) 8.013 2.927 ( 1.611 -1.325 -4.570) 5.023 3.038 ( 1.563 -0.837 2.865) 3.369 3.113 ( -3.808 -0.578 -4.617) 6.013 3.506 ( 1.694 2.661 8.881) 9.425 3.717 ( -1.972 2.449 -11.066) 11.504 4.630 ( -1.997 1.291 8.552) 8.877 4.775 ( 6.068 1.130 -5.431) 8.222 5.889 ( 1.510 -3.115 6.898) 7.717 5.974 ( -2.831 -6.611 -0.657) 7.222 6.430 ( -4.362 1.297 1.565) 4.812 6.487 ( 6.592 -2.300 -3.094) 7.637 6.855 ( -4.286 0.006 6.213) 7.548 6.932 ( 0.246 -3.564 -0.668) 3.635 7.243 ( 7.174 -10.312 9.130) 15.529 7.402 ( -3.847 -13.408 -6.914) 15.568 9.815 ( -13.042 3.003 8.950) 16.100 9.861 ( 8.664 0.379 4.396) 9.723 10.284 ( -14.438 3.351 20.137) 25.004 10.523 ( 4.361 1.572 -1.525) 4.880 10.686 ( -6.485 3.043 -1.934) 7.420 10.975 ( 18.893 -0.222 -19.960) 27.484 11.776 ( -1.950 13.684 -2.013) 13.968 11.836 ( -1.051 11.022 -7.302) 13.263 13.365 ( -5.375 -9.608 7.107) 13.104 13.520 ( 5.562 -12.687 -7.763) 15.879 13.989 ( 11.040 10.167 1.767) 15.112 13.999 ( -13.002 9.026 0.705) 15.843 18.161 ( 15.625 1.598 9.502) 18.357 18.373 ( -13.514 2.152 -8.970) 16.363 19.334 ( 1.848 -6.578 7.430) 10.094 19.523 ( -1.728 -4.046 -9.498) 10.467 21.737 ( 9.989 -0.359 3.838) 10.707 21.841 ( -4.727 -4.878 -6.209) 9.203 23.815 ( -2.845 3.481 1.333) 4.689 23.861 ( -2.087 4.306 -2.903) 5.597 ======================= Grid point 802 (409/432) ======================= q-point: (-0.27 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 1.465 -0.478 7.319) 7.479 2.904 ( 4.766 1.605 -8.633) 9.991 3.061 ( 0.985 -3.342 2.175) 4.107 3.123 ( 2.537 -0.462 1.671) 3.073 3.470 ( -8.810 1.975 0.304) 9.034 3.672 ( 6.184 3.757 -0.574) 7.258 4.582 ( -7.543 4.449 -1.348) 8.860 4.817 ( 9.299 1.223 -3.050) 9.863 5.922 ( -6.759 -3.564 -4.427) 8.831 5.986 ( -2.638 -3.073 4.798) 6.279 6.347 ( -9.297 0.031 2.405) 9.603 6.559 ( 7.587 -2.148 -4.823) 9.243 6.766 ( -14.163 0.696 3.824) 14.687 6.980 ( 0.787 -6.227 0.012) 6.276 7.375 ( -0.641 -11.035 -10.488) 15.238 7.626 ( 14.092 -19.645 7.079) 25.192 9.735 ( -9.466 0.139 5.670) 11.036 9.920 ( 0.069 6.637 -0.444) 6.652 10.322 ( -11.820 6.046 14.080) 19.353 10.377 ( -2.435 3.554 -8.013) 9.098 10.622 ( -13.436 -3.851 9.004) 16.626 11.001 ( 20.739 1.257 -18.699) 27.952 11.552 ( -5.276 17.327 -0.273) 18.115 11.905 ( 18.952 6.193 4.397) 20.417 13.456 ( -9.458 -12.755 6.240) 17.061 13.568 ( 1.702 -9.073 -6.845) 11.492 13.736 ( -10.359 10.556 1.300) 14.847 14.125 ( 17.138 12.189 0.748) 21.043 18.027 ( -15.896 1.839 -10.817) 19.315 18.454 ( 13.974 2.670 9.179) 16.931 19.344 ( -6.938 -2.567 -1.858) 7.627 19.648 ( 13.669 -7.905 1.831) 15.896 21.375 ( -32.468 -3.448 -5.597) 33.127 22.224 ( 30.355 -4.377 -0.204) 30.669 23.695 ( -7.625 7.760 2.711) 11.212 23.909 ( 8.481 2.247 3.174) 9.330 ======================= Grid point 803 (410/432) ======================= q-point: (-0.18 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 3.135 2.738 -8.705) 9.649 3.014 ( 2.362 -1.689 7.832) 8.353 3.129 ( -0.875 -0.971 -3.420) 3.661 3.196 ( 5.678 -1.456 5.976) 8.371 3.385 ( -3.180 -1.850 1.319) 3.908 3.698 ( 3.705 7.371 1.365) 8.362 4.392 ( -5.054 6.740 -6.649) 10.732 4.887 ( 6.558 0.668 -2.185) 6.944 5.763 ( -9.764 -0.960 -6.408) 11.718 5.969 ( -9.258 0.017 2.623) 9.622 6.252 ( -11.089 -2.272 1.890) 11.476 6.601 ( -1.359 -2.710 -1.684) 3.468 6.619 ( -6.830 0.329 -0.289) 6.844 7.047 ( 1.023 -8.154 -1.082) 8.289 7.328 ( 0.933 -8.328 -11.563) 14.280 8.048 ( 12.658 -22.875 2.955) 26.310 9.715 ( -3.925 -3.071 4.086) 6.444 9.767 ( -10.580 7.219 -1.885) 12.946 10.024 ( -9.284 15.072 -6.394) 18.821 10.434 ( -6.805 1.623 5.529) 8.917 10.586 ( -11.215 -7.923 10.168) 17.086 11.069 ( 21.006 -0.919 -16.619) 26.801 11.392 ( 2.082 19.210 4.308) 19.797 12.222 ( 20.035 0.627 8.210) 21.661 13.379 ( -9.861 0.779 -2.902) 10.309 13.564 ( -0.587 -2.530 -5.375) 5.969 13.685 ( -4.398 -4.369 9.309) 11.184 14.228 ( 14.982 13.681 -0.745) 20.303 17.726 ( -14.362 -0.574 -4.760) 15.142 18.692 ( 10.860 -0.830 5.352) 12.135 19.267 ( -2.537 0.890 -1.411) 3.036 19.885 ( 7.433 -3.721 3.443) 8.997 20.929 ( -26.371 -3.746 -7.560) 27.688 22.630 ( 23.988 -10.273 -1.775) 26.156 23.562 ( -7.209 11.782 4.931) 14.666 24.086 ( 12.068 2.485 7.120) 14.231 ======================= Grid point 804 (411/432) ======================= q-point: (-0.09 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.388 5.921 -11.337) 12.865 3.009 ( -4.909 -0.953 -7.512) 9.024 3.132 ( -4.721 3.881 10.840) 12.444 3.318 ( 5.206 -0.859 3.208) 6.175 3.498 ( 4.518 -6.461 7.650) 10.986 3.681 ( 3.141 7.873 0.115) 8.478 4.241 ( 2.304 3.601 -6.490) 7.771 4.912 ( 3.123 2.323 -2.650) 4.709 5.560 ( -12.006 0.379 -4.053) 12.677 5.815 ( -13.563 3.116 -0.070) 13.917 6.130 ( -13.091 -4.177 0.177) 13.742 6.506 ( -10.346 -0.586 5.190) 11.590 6.626 ( 3.368 -4.369 -6.588) 8.593 7.102 ( 1.769 -2.148 -1.330) 3.084 7.293 ( 3.687 -8.860 -10.955) 14.563 8.366 ( 5.602 -21.089 -1.535) 21.874 9.498 ( -14.530 12.910 0.752) 19.451 9.764 ( -3.428 10.348 -4.697) 11.870 9.808 ( 0.701 -12.787 3.329) 13.232 10.229 ( -17.936 11.605 1.953) 21.452 10.704 ( -1.345 -7.583 8.207) 11.255 11.141 ( 22.040 -0.941 -21.745) 30.976 11.421 ( 5.175 6.962 11.296) 14.242 12.539 ( 14.857 -0.504 4.974) 15.675 13.227 ( -3.398 4.383 -3.435) 6.524 13.493 ( 0.311 3.040 -5.247) 6.072 13.788 ( -5.152 -7.181 9.466) 12.950 14.264 ( 10.149 14.552 -0.500) 17.749 17.574 ( -11.216 -2.581 5.000) 12.548 18.852 ( 4.036 -8.645 -3.844) 10.285 19.255 ( 4.754 5.879 4.009) 8.558 19.906 ( -11.162 3.024 3.008) 11.950 20.663 ( -5.927 -4.702 -6.305) 9.848 22.957 ( 13.791 -15.278 -5.619) 21.335 23.439 ( -4.211 12.955 7.554) 15.576 24.324 ( 13.522 4.712 9.368) 17.112 ======================= Grid point 810 (412/432) ======================= q-point: ( 0.45 0.45 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -6.007 -0.000 7.431) 9.555 2.973 ( -6.725 -0.000 -1.634) 6.921 2.976 ( 1.549 0.000 -0.997) 1.842 3.188 ( 5.044 0.000 0.966) 5.135 3.386 ( -0.362 -0.000 2.018) 2.050 3.970 ( -4.233 -0.000 -11.457) 12.214 4.567 ( -5.042 -0.000 13.426) 14.342 4.682 ( 10.576 0.000 0.106) 10.576 5.726 ( 4.252 0.000 6.592) 7.844 5.873 ( -2.238 -0.000 3.013) 3.753 6.358 ( 6.587 0.000 1.560) 6.769 6.468 ( 0.620 0.000 1.726) 1.834 6.765 ( 5.783 0.000 3.662) 6.845 6.769 ( 4.926 0.000 8.337) 9.683 7.204 ( -11.551 -0.000 1.208) 11.614 7.292 ( -3.022 -0.000 -2.481) 3.910 9.616 ( 10.603 0.000 11.255) 15.463 9.932 ( -16.089 -0.000 13.916) 21.273 10.314 ( -20.515 -0.000 24.906) 32.267 10.387 ( 18.271 0.000 -5.201) 18.997 10.900 ( -3.492 -0.000 -11.808) 12.314 10.944 ( 21.848 0.000 -23.275) 31.923 12.145 ( -1.507 -0.000 -10.267) 10.377 12.148 ( -12.310 -0.000 -5.524) 13.492 13.248 ( 10.569 0.000 -3.127) 11.022 13.263 ( -5.295 -0.000 2.985) 6.078 13.934 ( 10.650 0.000 1.153) 10.712 14.323 ( -17.686 -0.000 3.011) 17.941 17.869 ( 16.458 0.000 4.250) 16.998 18.509 ( -3.870 -0.000 10.295) 10.998 19.282 ( -10.549 -0.000 -4.464) 11.454 19.631 ( -5.976 -0.000 -8.409) 10.316 21.308 ( 37.407 0.000 -2.133) 37.468 22.078 ( -21.561 -0.000 1.474) 21.612 23.917 ( -4.689 -0.000 -2.254) 5.202 24.036 ( -7.433 -0.000 -5.826) 9.444 ======================= Grid point 811 (413/432) ======================= q-point: (-0.45 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.166 0.654 6.300) 6.336 2.904 ( 0.034 -1.017 -2.831) 3.008 3.029 ( 4.251 -0.290 2.868) 5.136 3.113 ( -6.141 0.181 -5.289) 8.107 3.539 ( 7.379 1.097 9.311) 11.931 3.744 ( -8.830 0.762 -10.323) 13.605 4.641 ( -3.555 0.199 8.395) 9.119 4.782 ( 8.956 0.069 -5.202) 10.357 5.839 ( 1.658 -2.037 4.943) 5.597 5.881 ( -3.157 -3.407 1.264) 4.814 6.446 ( -0.748 0.528 0.052) 0.917 6.457 ( 2.658 -1.174 -0.756) 3.003 6.850 ( -2.136 -0.470 5.005) 5.462 6.883 ( -1.484 -1.546 1.995) 2.928 7.146 ( 0.067 -2.296 5.668) 6.116 7.263 ( 3.826 -3.723 -6.561) 8.459 9.849 ( -15.629 1.034 9.136) 18.133 9.866 ( 11.065 0.163 7.176) 13.189 10.317 ( -21.104 0.852 22.198) 30.641 10.538 ( 11.961 0.372 -5.208) 13.051 10.716 ( -9.707 0.745 -4.136) 10.578 10.973 ( 21.099 -0.062 -20.336) 29.304 11.958 ( -6.072 6.508 -1.912) 9.104 12.000 ( 2.594 6.274 -6.615) 9.479 13.241 ( -6.865 -4.195 4.526) 9.232 13.345 ( 6.988 -6.551 -5.566) 11.079 14.104 ( -17.238 3.293 1.999) 17.663 14.108 ( 14.846 3.608 1.690) 15.371 18.180 ( 16.722 0.596 10.535) 19.773 18.399 ( -13.641 0.840 -8.166) 15.921 19.256 ( 1.128 -2.497 8.351) 8.789 19.474 ( -1.285 -1.553 -10.900) 11.085 21.740 ( -3.068 0.909 -0.264) 3.210 21.775 ( 9.210 -2.883 -3.546) 10.282 23.857 ( -3.004 1.296 1.981) 3.825 23.912 ( -2.572 1.579 -3.113) 4.336 ======================= Grid point 812 (414/432) ======================= q-point: (-0.36 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 2.926 0.958 4.481) 5.437 2.922 ( 6.445 0.461 -6.884) 9.441 3.003 ( -1.936 -3.164 0.077) 3.710 3.129 ( 2.715 0.646 4.195) 5.039 3.495 ( -9.634 0.827 -5.395) 11.073 3.726 ( 5.328 2.550 6.987) 9.149 4.636 ( -5.356 2.126 1.109) 5.868 4.815 ( 8.258 -0.793 -7.434) 11.139 5.853 ( -5.610 -3.990 -2.483) 7.318 5.918 ( -1.247 -4.211 3.495) 5.613 6.359 ( -8.051 0.875 0.290) 8.104 6.524 ( 5.349 -2.080 -2.744) 6.361 6.776 ( -12.962 0.609 2.358) 13.189 6.868 ( -6.185 -5.186 0.888) 8.120 7.285 ( 8.600 -1.806 -7.712) 11.691 7.369 ( 13.225 -10.460 3.566) 17.235 9.736 ( -11.980 0.024 3.460) 12.470 10.027 ( 5.383 5.735 1.503) 8.008 10.284 ( -13.762 -4.374 13.334) 19.655 10.506 ( -3.867 5.981 -5.805) 9.188 10.570 ( -16.530 -1.965 8.978) 18.913 11.016 ( 21.716 0.659 -20.078) 29.582 11.840 ( -0.956 15.070 4.259) 15.690 12.020 ( 14.042 6.203 1.105) 15.391 13.255 ( -9.433 -9.952 5.526) 14.784 13.413 ( 3.769 -8.197 -5.183) 10.404 13.878 ( -13.293 5.965 1.568) 14.654 14.291 ( 16.948 7.025 0.665) 18.358 18.052 ( -16.959 1.001 -12.292) 20.970 18.491 ( 13.256 1.597 8.830) 16.008 19.333 ( 0.201 1.271 -3.456) 3.688 19.515 ( 11.729 -7.525 3.658) 14.407 21.329 ( -33.236 -1.968 -3.592) 33.488 22.162 ( 29.209 -2.762 -3.486) 29.545 23.815 ( -3.401 6.192 3.255) 7.778 23.927 ( 5.064 -0.245 3.813) 6.344 ======================= Grid point 813 (415/432) ======================= q-point: (-0.27 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -0.234 1.213 -4.217) 4.395 2.989 ( 5.810 -1.034 2.411) 6.375 3.094 ( -2.123 -2.695 -1.461) 3.729 3.163 ( 5.660 -2.796 2.533) 6.802 3.391 ( -0.760 2.057 1.015) 2.417 3.815 ( 2.703 6.169 5.854) 8.924 4.498 ( -4.427 5.749 -6.676) 9.859 4.849 ( 5.227 -4.162 -5.818) 8.860 5.741 ( -7.760 -1.805 -5.482) 9.671 5.943 ( -5.589 -3.167 1.960) 6.716 6.241 ( -10.530 0.731 1.267) 10.631 6.563 ( 4.392 -2.394 -5.200) 7.215 6.620 ( -13.506 0.023 2.708) 13.775 6.845 ( -4.309 -10.755 -2.916) 11.947 7.307 ( 8.123 2.226 -7.116) 11.026 7.704 ( 14.951 -17.464 0.505) 22.995 9.619 ( -8.961 -4.917 -3.723) 10.878 9.923 ( -10.372 8.416 3.116) 13.716 10.255 ( -3.325 9.225 -11.139) 14.841 10.415 ( -4.611 -1.483 11.443) 12.425 10.484 ( -19.993 -3.403 16.669) 26.252 11.065 ( 21.462 0.439 -18.825) 28.552 11.747 ( -0.616 20.800 6.697) 21.860 12.253 ( 19.003 2.701 5.818) 20.056 13.272 ( -9.515 -10.394 2.749) 14.357 13.465 ( 1.318 -7.331 -3.104) 8.069 13.723 ( -6.653 5.126 3.226) 8.997 14.431 ( 15.579 9.791 -1.206) 18.440 17.716 ( -15.601 -0.547 -6.852) 17.048 18.674 ( 8.303 -1.185 -1.251) 8.480 19.318 ( 5.763 4.987 -0.232) 7.624 19.795 ( 11.162 -6.685 5.209) 14.014 20.873 ( -31.416 -2.790 -3.762) 31.763 22.482 ( 21.754 -7.034 -5.548) 23.527 23.755 ( -2.899 10.656 5.305) 12.251 24.104 ( 10.327 -0.386 8.235) 13.214 ======================= Grid point 814 (416/432) ======================= q-point: (-0.18 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -0.615 3.097 -5.607) 6.435 2.953 ( -10.166 -4.931 -3.395) 11.797 3.152 ( 4.344 -2.315 5.409) 7.313 3.339 ( 6.520 1.846 3.180) 7.485 3.409 ( 4.294 -1.151 2.946) 5.333 3.840 ( 3.441 9.323 3.408) 10.506 4.318 ( 0.579 5.377 -9.520) 10.949 4.875 ( 0.978 -5.584 -4.318) 7.127 5.577 ( -7.705 0.747 -5.537) 9.517 5.856 ( -10.578 1.001 0.048) 10.626 6.095 ( -12.292 0.334 0.105) 12.297 6.492 ( -11.966 -0.827 5.824) 13.334 6.569 ( 3.294 -2.485 -8.287) 9.257 6.902 ( 3.071 -15.764 -4.791) 16.759 7.297 ( 6.089 4.829 -5.150) 9.323 8.024 ( 10.816 -19.347 -2.444) 22.299 9.507 ( -9.081 -11.106 -6.171) 15.617 9.782 ( -7.252 8.522 5.589) 12.508 9.973 ( -5.091 14.099 -8.237) 17.104 10.333 ( -23.168 2.085 14.671) 27.501 10.605 ( 1.015 -4.497 8.542) 9.707 11.132 ( 20.934 0.104 -17.458) 27.258 11.642 ( -1.786 17.679 7.257) 19.193 12.544 ( 16.285 0.807 4.994) 17.053 13.234 ( -5.464 -3.998 -2.419) 7.189 13.487 ( 0.073 -3.676 -2.814) 4.630 13.703 ( -3.823 -1.536 7.233) 8.324 14.497 ( 12.346 12.153 -3.035) 17.587 17.532 ( -11.572 -2.351 4.144) 12.514 18.717 ( 5.610 -7.130 -11.844) 14.920 19.380 ( 8.111 8.958 4.525) 12.903 19.938 ( -5.274 0.508 3.132) 6.155 20.566 ( -12.816 -6.620 -0.893) 14.453 22.724 ( 15.141 -11.788 -7.541) 20.617 23.675 ( -3.605 14.242 6.325) 15.995 24.368 ( 12.919 0.535 10.058) 16.381 ======================= Grid point 815 (417/432) ======================= q-point: (-0.09 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -8.463 5.982 -10.663) 14.869 2.854 ( -5.527 -4.556 -2.496) 7.585 3.235 ( -2.611 6.059 7.140) 9.721 3.376 ( 2.865 -1.950 0.267) 3.476 3.596 ( 5.321 -6.890 6.649) 10.954 3.833 ( 5.936 13.086 0.711) 14.387 4.255 ( 8.532 0.730 -5.966) 10.437 4.859 ( -3.544 -4.371 -3.000) 6.377 5.397 ( -8.781 3.530 -4.738) 10.583 5.687 ( -10.446 3.803 0.055) 11.117 5.949 ( -10.333 -1.336 1.432) 10.517 6.443 ( -7.240 -1.116 4.591) 8.645 6.513 ( -1.285 -4.676 -8.226) 9.549 7.046 ( 6.727 -11.309 -3.871) 13.716 7.280 ( 6.284 3.973 -4.028) 8.456 8.232 ( 3.284 -16.191 -3.110) 16.811 9.385 ( -13.746 2.923 0.828) 14.078 9.744 ( 2.523 -6.975 -4.197) 8.522 9.776 ( -0.770 5.799 -0.974) 5.930 10.147 ( -20.359 11.234 11.559) 25.968 10.728 ( -2.154 -4.000 7.833) 9.056 11.177 ( 19.867 1.864 -19.686) 28.030 11.611 ( -0.948 4.995 7.570) 9.119 12.738 ( 9.309 2.082 1.367) 9.636 13.153 ( -2.467 -0.043 -5.502) 6.030 13.476 ( 0.488 -0.578 -2.118) 2.249 13.797 ( -1.988 -5.741 9.449) 11.234 14.483 ( 8.574 13.397 -3.776) 16.348 17.542 ( -7.033 -1.821 14.160) 15.915 18.671 ( 2.996 -9.290 -18.196) 20.649 19.473 ( 7.649 7.208 5.499) 11.862 19.771 ( -15.372 3.326 1.988) 15.853 20.596 ( 3.093 -5.052 1.319) 6.068 22.889 ( 7.694 -11.237 -7.807) 15.698 23.587 ( -2.401 11.707 5.850) 13.306 24.632 ( 11.147 2.109 9.136) 14.566 ======================= Grid point 822 (418/432) ======================= q-point: (-0.45 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 6.398 0.000 -3.423) 7.256 2.920 ( 7.511 0.000 3.575) 8.319 2.972 ( -6.568 -0.000 -3.323) 7.360 3.135 ( 2.639 0.000 4.726) 5.413 3.501 ( -9.871 -0.000 -7.742) 12.545 3.749 ( 5.083 0.000 10.136) 11.339 4.654 ( -4.456 -0.000 2.726) 5.224 4.806 ( 7.884 0.000 -9.838) 12.607 5.815 ( -5.094 -0.000 -1.474) 5.303 5.877 ( -0.698 -0.000 2.598) 2.690 6.367 ( -7.285 -0.000 -0.559) 7.307 6.503 ( 3.603 0.000 -1.658) 3.966 6.785 ( -11.847 -0.000 0.797) 11.873 6.824 ( -7.240 -0.000 2.302) 7.597 7.269 ( 11.460 0.000 1.910) 11.618 7.286 ( 11.666 0.000 -6.519) 13.364 9.736 ( -12.879 -0.000 2.648) 13.148 10.088 ( 14.103 0.000 1.645) 14.199 10.233 ( -22.962 -0.000 12.476) 26.132 10.545 ( -20.187 -0.000 9.746) 22.417 10.565 ( 0.881 0.000 -4.606) 4.689 11.022 ( 21.886 0.000 -20.064) 29.691 11.989 ( 1.432 0.000 4.631) 4.847 12.070 ( 10.637 0.000 0.911) 10.676 13.164 ( -9.335 -0.000 4.603) 10.408 13.335 ( 4.254 0.000 -4.306) 6.053 13.929 ( -14.228 -0.000 1.861) 14.349 14.351 ( 16.850 0.000 0.576) 16.859 18.060 ( -17.387 -0.000 -12.875) 21.635 18.504 ( 12.915 0.000 8.666) 15.553 19.368 ( 6.708 0.000 -10.598) 12.543 19.426 ( 7.242 0.000 10.979) 13.152 21.312 ( -33.395 -0.000 -3.034) 33.532 22.138 ( 28.746 0.000 -4.467) 29.091 23.890 ( 0.222 0.000 0.535) 0.579 23.903 ( 1.762 0.000 6.887) 7.109 ======================= Grid point 823 (419/432) ======================= q-point: (-0.36 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -3.393 0.464 -1.259) 3.648 2.981 ( 8.814 -0.090 -1.573) 8.954 3.057 ( -4.273 -1.324 -1.466) 4.707 3.117 ( 3.243 -1.945 1.146) 3.951 3.425 ( 4.525 1.361 0.996) 4.829 3.891 ( 1.196 2.515 9.018) 9.438 4.576 ( -4.753 3.033 -3.789) 6.794 4.781 ( 5.939 -2.897 -10.897) 12.744 5.710 ( -6.430 -1.348 -4.527) 7.979 5.888 ( -3.169 -2.328 1.458) 4.194 6.257 ( -9.201 0.675 0.589) 9.244 6.514 ( 3.002 -2.370 -4.602) 5.984 6.626 ( -13.742 0.423 1.804) 13.866 6.748 ( -5.666 -1.842 -1.712) 6.199 7.357 ( 11.279 3.521 -5.163) 12.894 7.478 ( 14.658 -9.041 -2.394) 17.387 9.563 ( -11.400 -1.681 -6.757) 13.358 10.039 ( -17.504 4.777 8.307) 19.956 10.260 ( 11.509 -3.474 -9.321) 15.212 10.427 ( -24.831 -0.247 19.821) 31.773 10.498 ( -5.907 3.424 5.166) 8.562 11.077 ( 20.618 0.660 -17.297) 26.920 12.025 ( -1.904 10.400 7.596) 13.018 12.287 ( 16.619 0.671 4.541) 17.242 13.125 ( -7.513 -5.256 3.940) 9.980 13.358 ( 2.572 -4.235 -2.541) 5.569 13.789 ( -9.064 2.190 2.117) 9.563 14.544 ( 15.508 3.428 -1.518) 15.955 17.709 ( -16.217 -0.217 -8.056) 18.109 18.658 ( 7.258 -0.536 -5.429) 9.080 19.413 ( 12.947 4.942 -0.917) 13.888 19.681 ( 10.434 -5.522 8.047) 14.287 20.840 ( -34.011 -1.021 -2.094) 34.091 22.401 ( 20.594 -2.457 -6.894) 21.856 23.900 ( 0.326 5.730 4.524) 7.308 24.079 ( 8.472 -2.014 9.415) 12.825 ======================= Grid point 824 (420/432) ======================= q-point: (-0.27 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -4.089 0.977 0.340) 4.218 2.864 ( -15.270 -4.870 -2.501) 16.222 3.104 ( 8.176 -2.381 -0.114) 8.517 3.308 ( 12.637 -2.502 2.004) 13.037 3.483 ( 5.004 5.511 0.434) 7.456 3.963 ( 2.031 4.848 6.440) 8.313 4.415 ( -1.224 5.718 -9.023) 10.752 4.767 ( 1.858 -6.195 -7.154) 9.643 5.574 ( -5.612 -0.814 -6.670) 8.755 5.846 ( -7.766 -1.564 0.094) 7.922 6.125 ( -10.386 2.152 0.489) 10.618 6.485 ( -11.843 -0.075 4.298) 12.599 6.528 ( 3.573 -3.043 -6.775) 8.242 6.695 ( 0.106 -7.037 -4.179) 8.185 7.391 ( 8.951 6.225 -4.594) 11.831 7.731 ( 13.415 -15.109 -3.938) 20.586 9.343 ( -11.322 -7.106 -9.319) 16.295 9.902 ( -12.034 5.361 7.763) 15.291 10.168 ( -0.025 7.105 -12.888) 14.717 10.345 ( -27.519 0.093 24.447) 36.810 10.558 ( 4.205 -0.829 5.204) 6.742 11.153 ( 19.111 2.193 -12.247) 22.804 11.933 ( -7.486 14.684 6.291) 17.642 12.555 ( 15.935 0.140 4.131) 16.463 13.128 ( -4.251 -6.366 0.058) 7.655 13.405 ( 1.599 -5.057 -1.432) 5.494 13.712 ( -5.129 1.267 3.286) 6.222 14.655 ( 12.839 6.419 -4.207) 14.958 17.500 ( -11.643 -1.347 3.431) 12.213 18.622 ( 6.842 -3.999 -17.677) 19.372 19.543 ( 11.420 9.665 4.526) 15.630 19.917 ( 3.761 -3.002 4.539) 6.615 20.459 ( -23.146 -5.404 1.533) 23.818 22.573 ( 14.714 -6.052 -8.379) 17.982 23.891 ( -1.265 10.681 6.364) 12.498 24.348 ( 12.062 -2.404 9.621) 15.616 ======================= Grid point 825 (421/432) ======================= q-point: (-0.18 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -14.226 0.384 -4.456) 14.912 2.752 ( -10.179 -5.344 0.915) 11.533 3.226 ( 4.358 -3.981 2.173) 6.290 3.449 ( 3.979 7.433 -3.232) 9.030 3.509 ( 7.705 -3.306 2.079) 8.638 4.034 ( 7.083 9.204 5.006) 12.647 4.293 ( 6.495 4.036 -8.587) 11.498 4.761 ( -2.034 -6.387 -3.166) 7.413 5.421 ( -5.435 -0.437 -8.873) 10.415 5.724 ( -9.802 0.677 -0.670) 9.848 5.980 ( -9.452 3.798 2.786) 10.560 6.423 ( -8.644 -1.007 7.052) 11.201 6.460 ( -0.586 -1.589 -10.008) 10.151 6.819 ( 10.129 -13.206 -3.748) 17.060 7.386 ( 6.930 7.466 -3.783) 10.867 7.966 ( 8.511 -15.200 -2.559) 17.607 9.231 ( -6.904 -13.986 -3.984) 16.098 9.782 ( -11.071 5.482 3.102) 12.738 9.930 ( -1.176 10.793 -9.477) 14.411 10.271 ( -24.314 4.480 23.455) 34.079 10.675 ( 3.873 -3.052 2.312) 5.446 11.238 ( 17.790 5.187 -10.622) 21.359 11.767 ( -8.816 11.979 4.673) 15.590 12.760 ( 9.990 0.395 1.454) 10.103 13.104 ( -2.734 -5.333 -4.771) 7.660 13.437 ( -0.088 -3.160 -0.882) 3.282 13.721 ( -2.279 -3.160 5.673) 6.882 14.673 ( 9.972 8.810 -6.977) 15.024 17.516 ( -5.230 -1.189 15.547) 16.446 18.523 ( 6.788 -7.662 -22.860) 25.047 19.632 ( 7.434 10.359 4.037) 13.374 19.831 ( -14.733 4.608 1.933) 15.557 20.464 ( 1.380 -10.552 4.472) 11.544 22.708 ( 12.004 -8.974 -8.761) 17.360 23.825 ( -3.815 14.760 6.183) 16.451 24.624 ( 10.636 -2.694 7.568) 13.329 ======================= Grid point 826 (422/432) ======================= q-point: (-0.09 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -15.150 2.914 -6.319) 16.671 2.709 ( -10.131 -8.966 3.859) 14.068 3.302 ( 0.300 1.231 1.457) 1.931 3.402 ( 4.864 1.854 -3.893) 6.500 3.653 ( 3.826 -6.589 2.122) 7.910 4.039 ( 4.177 16.081 0.304) 16.618 4.349 ( 11.184 0.736 -1.342) 11.288 4.740 ( -3.211 -3.389 -1.489) 4.900 5.240 ( -5.952 -0.733 -8.363) 10.291 5.604 ( -5.919 0.989 0.248) 6.006 5.913 ( -4.713 3.791 7.300) 9.480 6.341 ( -0.928 -1.753 -9.921) 10.117 6.430 ( -5.118 -1.146 7.045) 8.783 7.015 ( 7.965 -10.819 -3.015) 13.769 7.364 ( 5.828 6.263 -4.243) 9.550 8.152 ( 4.302 -10.367 1.973) 11.396 9.236 ( -9.293 -5.359 2.201) 10.951 9.642 ( -0.648 -6.807 -5.230) 8.608 9.808 ( 1.153 4.506 -2.328) 5.201 10.156 ( -19.243 12.157 16.827) 28.306 10.753 ( -2.177 -2.141 5.231) 6.056 11.236 ( 12.921 8.403 -14.730) 21.320 11.671 ( -3.702 1.989 4.416) 6.096 12.835 ( 2.484 0.738 -0.881) 2.737 13.053 ( -0.356 -2.744 -5.585) 6.233 13.439 ( -2.473 -2.013 0.658) 3.256 13.829 ( -0.479 -7.545 6.956) 10.273 14.612 ( 7.502 9.840 -9.185) 15.410 17.697 ( -0.458 2.101 20.248) 20.362 18.403 ( 5.028 -8.306 -22.175) 24.207 19.648 ( -1.793 3.117 1.203) 3.791 19.676 ( -1.617 7.838 2.158) 8.288 20.614 ( 2.002 -6.873 2.729) 7.662 22.828 ( 9.009 -7.390 -6.918) 13.551 23.702 ( -4.969 13.325 4.377) 14.880 24.819 ( 5.053 -2.428 3.945) 6.855 ======================= Grid point 834 (423/432) ======================= q-point: (-0.36 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -17.556 -0.000 -2.067) 17.677 2.834 ( -5.589 -0.000 2.394) 6.080 3.083 ( 9.701 0.000 -2.460) 10.008 3.286 ( 13.229 0.000 1.756) 13.345 3.535 ( 7.621 0.000 -0.591) 7.644 4.002 ( 0.845 0.000 6.943) 6.994 4.475 ( -3.349 -0.000 -6.218) 7.062 4.704 ( 4.233 0.000 -10.193) 11.037 5.564 ( -5.157 -0.000 -6.671) 8.432 5.828 ( -6.282 -0.000 0.018) 6.282 6.145 ( -9.292 -0.000 0.266) 9.295 6.487 ( -12.493 -0.000 4.252) 13.196 6.489 ( 4.991 0.000 -6.150) 7.920 6.651 ( -2.751 -0.000 -3.852) 4.733 7.498 ( 10.966 0.000 -0.719) 10.989 7.545 ( 13.555 0.000 -8.664) 16.087 9.282 ( -12.945 -0.000 -10.195) 16.477 9.951 ( -15.259 -0.000 9.706) 18.084 10.216 ( 5.965 0.000 -15.262) 16.386 10.345 ( -29.366 -0.000 28.060) 40.617 10.559 ( 4.660 0.000 1.573) 4.919 11.179 ( 17.883 0.000 -8.655) 19.868 12.068 ( -10.664 -0.000 6.341) 12.407 12.551 ( 15.230 0.000 3.973) 15.740 13.072 ( -1.734 -0.000 -0.629) 1.845 13.353 ( 2.119 0.000 -0.391) 2.154 13.724 ( -6.177 -0.000 2.245) 6.572 14.709 ( 12.918 0.000 -4.598) 13.712 17.488 ( -11.628 -0.000 3.142) 12.045 18.588 ( 7.300 0.000 -19.810) 21.112 19.648 ( 12.884 0.000 3.579) 13.372 19.871 ( 9.291 0.000 6.502) 11.340 20.410 ( -29.317 -0.000 1.765) 29.370 22.522 ( 14.427 0.000 -8.487) 16.739 23.993 ( -0.302 -0.000 6.642) 6.649 24.318 ( 11.780 0.000 9.160) 14.922 ======================= Grid point 835 (424/432) ======================= q-point: (-0.27 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -17.102 -3.731 1.783) 17.595 2.732 ( -13.785 0.392 0.107) 13.791 3.175 ( 6.949 -1.640 -1.058) 7.218 3.464 ( 9.963 -1.123 1.346) 10.116 3.560 ( 5.284 3.809 -7.439) 9.888 4.117 ( 8.526 1.527 5.153) 10.079 4.379 ( 3.611 4.455 -6.036) 8.327 4.669 ( 0.905 -3.726 -4.710) 6.074 5.408 ( -5.095 -0.525 -10.138) 11.358 5.720 ( -8.483 -0.536 -1.821) 8.693 6.034 ( -8.420 1.851 3.113) 9.166 6.415 ( -8.419 0.035 7.097) 11.011 6.447 ( -0.610 -0.397 -8.523) 8.554 6.657 ( 8.506 -5.056 -3.131) 10.379 7.524 ( 9.762 8.908 -6.553) 14.751 7.731 ( 11.164 -12.173 -0.619) 16.529 9.056 ( -9.542 -5.642 -5.752) 12.489 9.842 ( -13.800 1.693 4.730) 14.686 10.073 ( 1.130 4.854 -13.323) 14.225 10.318 ( -28.471 1.321 32.618) 43.316 10.630 ( 8.423 -1.703 -5.062) 9.973 11.327 ( 15.807 3.888 -2.119) 16.415 11.935 ( -13.523 6.023 3.842) 15.294 12.755 ( 10.034 -0.565 1.555) 10.170 13.019 ( -2.259 -3.323 -6.641) 7.762 13.390 ( 1.344 -1.866 0.465) 2.346 13.688 ( -3.994 -0.892 2.866) 4.996 14.772 ( 10.479 2.968 -8.430) 13.772 17.503 ( -4.072 -0.392 16.491) 16.991 18.431 ( 8.364 -2.880 -25.889) 27.358 19.749 ( -1.265 2.771 1.823) 3.550 19.970 ( -0.877 11.263 3.569) 11.847 20.259 ( -3.636 -12.474 5.955) 14.293 22.606 ( 12.613 -3.098 -8.856) 15.720 24.028 ( -2.670 7.708 7.637) 11.174 24.564 ( 10.266 -3.172 5.242) 11.956 ======================= Grid point 836 (425/432) ======================= q-point: (-0.18 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -19.610 1.335 -1.699) 19.729 2.547 ( -16.244 -8.764 4.625) 19.028 3.271 ( 4.872 -2.474 0.645) 5.502 3.466 ( 4.849 3.385 -11.969) 13.350 3.584 ( 4.778 -1.736 0.471) 5.105 4.275 ( 6.506 10.618 4.155) 13.128 4.376 ( 12.771 2.721 -2.638) 13.322 4.672 ( 0.729 -4.602 -2.459) 5.269 5.202 ( -6.926 -2.386 -12.286) 14.304 5.602 ( -6.044 -0.939 -2.162) 6.488 5.995 ( -5.101 4.498 10.026) 12.115 6.327 ( -0.624 -0.035 -9.079) 9.100 6.425 ( -3.930 0.530 8.247) 9.151 6.823 ( 10.441 -10.074 -3.045) 14.825 7.482 ( 6.173 6.902 -7.074) 11.653 7.990 ( 10.070 -8.441 5.706) 14.326 9.018 ( -3.876 -13.709 0.010) 14.246 9.666 ( -13.482 3.502 -0.236) 13.931 9.896 ( 1.123 5.727 -9.677) 11.301 10.309 ( -23.242 6.416 28.112) 37.036 10.696 ( 5.398 -4.297 -3.509) 7.741 11.430 ( 12.051 11.877 -4.207) 17.435 11.737 ( -11.947 4.961 2.321) 13.142 12.831 ( 1.024 -0.557 -1.762) 2.113 12.963 ( -0.259 -7.176 -5.838) 9.255 13.412 ( -1.346 -1.009 0.974) 1.944 13.714 ( -2.177 -5.324 4.232) 7.141 14.740 ( 8.635 5.201 -12.456) 16.024 17.733 ( 2.918 1.893 22.760) 23.024 18.275 ( 7.786 -6.142 -24.661) 26.580 19.665 ( -6.936 0.412 0.418) 6.961 19.892 ( 1.794 15.459 1.706) 15.656 20.445 ( 1.837 -12.851 3.893) 13.553 22.711 ( 13.294 -5.445 -8.040) 16.462 23.959 ( -5.841 14.814 6.180) 17.081 24.738 ( 4.381 -6.414 0.787) 7.807 ======================= Grid point 837 (426/432) ======================= q-point: (-0.09 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -13.944 -1.439 2.794) 14.294 2.541 ( -12.781 -12.113 9.768) 20.137 3.316 ( 3.143 0.592 -3.738) 4.920 3.429 ( 7.870 -1.158 -6.159) 10.060 3.632 ( -0.135 -4.545 -1.575) 4.812 4.183 ( 0.161 15.621 -3.772) 16.071 4.434 ( -6.090 5.489 0.690) 8.227 4.746 ( 9.185 -2.881 -1.777) 9.789 5.092 ( 4.098 -5.506 -3.957) 7.922 5.551 ( -0.229 -2.506 -1.549) 2.955 6.024 ( -1.782 7.208 9.265) 11.873 6.263 ( 2.156 -0.176 -2.182) 3.073 6.482 ( -0.255 2.207 7.695) 8.009 6.986 ( 4.985 -9.727 -1.899) 11.093 7.400 ( 1.294 5.242 -6.907) 8.767 8.243 ( 7.983 -1.712 8.813) 12.014 9.134 ( -2.767 -10.004 5.938) 11.958 9.504 ( -3.674 -5.484 -4.262) 7.857 9.812 ( 3.265 -0.499 -5.299) 6.244 10.231 ( -17.146 14.239 17.747) 28.490 10.746 ( -3.571 -3.065 3.876) 6.096 11.270 ( -1.596 12.424 -10.312) 16.225 11.698 ( 1.614 0.938 2.329) 2.985 12.799 ( -3.478 -1.791 -1.910) 4.353 12.977 ( 1.852 -5.656 -3.229) 6.771 13.402 ( -4.306 -1.281 2.567) 5.174 13.804 ( -2.448 -9.452 4.586) 10.787 14.630 ( 7.167 6.187 -15.510) 18.172 17.947 ( 4.763 4.773 2.211) 7.096 18.246 ( 9.129 -4.935 -1.104) 10.436 19.641 ( 4.287 -0.936 -1.254) 4.563 19.767 ( -2.668 12.313 -2.317) 12.810 20.573 ( -1.855 -9.463 1.754) 9.801 22.850 ( 12.613 -4.342 -5.096) 14.280 23.783 ( -8.315 16.127 3.121) 18.411 24.792 ( -3.613 -7.992 -3.119) 9.309 ======================= Grid point 846 (427/432) ======================= q-point: (-0.27 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -16.210 -0.000 7.122) 17.705 2.465 ( -23.475 -0.000 -2.205) 23.578 3.249 ( 6.851 0.000 -0.442) 6.865 3.491 ( 3.822 0.000 -13.825) 14.344 3.578 ( 5.558 0.000 -0.653) 5.596 4.347 ( 14.154 0.000 6.514) 15.581 4.440 ( 7.736 0.000 -1.572) 7.894 4.612 ( 1.678 0.000 -5.520) 5.769 5.182 ( -8.198 -0.000 -12.855) 15.246 5.590 ( -5.587 -0.000 -3.482) 6.583 6.035 ( -4.983 -0.000 11.031) 12.105 6.329 ( -0.917 -0.000 -8.541) 8.590 6.435 ( -3.079 -0.000 8.887) 9.405 6.729 ( 10.145 0.000 -3.095) 10.606 7.554 ( 6.057 0.000 -11.212) 12.744 7.905 ( 13.594 0.000 9.999) 16.876 8.893 ( -5.130 -0.000 -1.023) 5.232 9.695 ( -15.319 -0.000 2.333) 15.495 9.954 ( 1.317 0.000 -13.601) 13.665 10.368 ( -27.517 -0.000 36.792) 45.943 10.648 ( 10.314 0.000 -10.631) 14.812 11.544 ( 13.475 0.000 2.155) 13.646 11.789 ( -16.214 -0.000 -0.171) 16.215 12.845 ( 3.523 0.000 -1.195) 3.720 12.866 ( -3.612 -0.000 -7.549) 8.368 13.404 ( -0.371 -0.000 1.190) 1.246 13.668 ( -3.103 -0.000 2.722) 4.128 14.784 ( 8.998 0.000 -13.435) 16.170 17.751 ( 4.275 0.000 24.582) 24.951 18.220 ( 8.522 0.000 -26.507) 27.843 19.668 ( -7.507 -0.000 0.191) 7.509 20.113 ( 2.504 0.000 -1.196) 2.775 20.247 ( 1.285 0.000 6.999) 7.116 22.664 ( 14.012 0.000 -8.228) 16.249 24.108 ( -5.179 -0.000 8.219) 9.714 24.664 ( 4.011 0.000 -1.938) 4.454 ======================= Grid point 847 (428/432) ======================= q-point: (-0.18 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -19.876 0.435 2.931) 20.096 2.365 ( -14.002 -6.957 11.388) 19.342 3.328 ( 5.718 0.909 -2.249) 6.211 3.390 ( 8.024 -2.336 -13.612) 15.973 3.603 ( -0.446 -0.114 -1.107) 1.199 4.415 ( -1.370 11.323 -1.843) 11.554 4.514 ( -2.178 2.796 1.905) 4.024 4.652 ( 8.061 -7.399 -7.358) 13.186 5.022 ( 7.703 -2.083 -4.220) 9.027 5.513 ( -0.643 -1.454 -3.451) 3.799 6.130 ( -3.169 4.081 14.635) 15.521 6.254 ( 2.884 -0.622 -5.014) 5.817 6.529 ( 2.153 2.659 9.529) 10.125 6.833 ( 6.759 -6.427 -2.869) 9.758 7.468 ( 0.304 2.301 -8.638) 8.944 8.234 ( 14.400 0.428 12.866) 19.316 8.917 ( 0.228 -9.645 4.238) 10.537 9.513 ( -13.192 1.827 0.374) 13.323 9.818 ( 2.465 0.710 -12.004) 12.275 10.416 ( -22.023 7.423 30.833) 38.610 10.670 ( 6.104 -4.679 -7.039) 10.426 11.482 ( -16.671 9.006 -5.280) 19.670 11.719 ( 7.662 1.079 1.468) 7.876 12.781 ( -2.508 0.501 -0.958) 2.731 12.857 ( -0.247 -6.838 -2.875) 7.422 13.393 ( -3.703 -0.061 1.189) 3.889 13.680 ( -2.710 -4.247 3.011) 5.869 14.702 ( 8.155 2.226 -17.907) 19.802 18.023 ( 7.729 3.802 -13.599) 16.098 18.162 ( 10.596 -4.204 15.373) 19.138 19.628 ( 3.183 -0.447 -1.689) 3.631 19.997 ( -3.234 12.494 -5.084) 13.871 20.385 ( -1.770 -10.952 4.624) 12.019 22.785 ( 16.060 -2.357 -6.439) 17.463 24.056 ( -8.230 12.561 5.980) 16.164 24.635 ( -5.060 -8.453 -7.088) 12.137 ======================= Grid point 848 (429/432) ======================= q-point: (-0.09 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -5.562 -4.572 13.012) 14.871 2.437 ( -9.451 -10.288 14.898) 20.423 3.310 ( 7.897 0.122 -10.062) 12.792 3.454 ( 7.432 -3.185 -3.466) 8.797 3.547 ( -4.783 -1.484 -2.739) 5.708 4.213 ( -4.097 13.171 -7.850) 15.871 4.333 ( -13.147 6.114 -1.638) 14.591 4.713 ( -0.291 -9.938 -1.660) 10.079 5.287 ( 22.628 1.407 3.285) 22.909 5.528 ( 4.692 -4.371 -1.169) 6.518 6.175 ( 4.077 7.683 3.584) 9.407 6.321 ( 0.737 -1.240 7.445) 7.584 6.642 ( 5.081 6.330 7.113) 10.793 6.944 ( 2.465 -8.770 0.642) 9.133 7.336 ( -4.202 2.900 -4.848) 7.040 8.512 ( 10.149 7.560 11.630) 17.188 9.142 ( 3.579 -12.752 10.774) 17.073 9.369 ( -5.565 -2.929 -1.962) 6.587 9.763 ( 5.192 -5.312 -8.014) 10.927 10.357 ( -11.075 16.716 12.767) 23.771 10.703 ( -9.377 -3.698 8.413) 13.129 11.140 ( -12.922 3.945 -6.345) 14.927 11.764 ( 3.399 3.992 -3.634) 6.379 12.704 ( -5.308 0.254 -2.050) 5.696 12.952 ( 3.660 -7.649 3.445) 9.152 13.340 ( -6.974 -2.010 0.571) 7.280 13.731 ( -3.543 -8.128 3.262) 9.448 14.558 ( 7.612 3.644 -19.826) 21.548 17.905 ( 7.129 1.121 -16.594) 18.095 18.551 ( 14.085 2.002 17.843) 22.820 19.709 ( 2.503 4.820 -6.966) 8.833 19.745 ( 2.966 4.586 -6.012) 8.123 20.471 ( -5.326 -9.043 4.256) 11.325 22.958 ( 15.435 -2.320 -3.475) 15.991 23.822 ( -12.155 18.851 0.691) 22.441 24.525 ( -12.625 -13.802 -7.920) 20.313 ======================= Grid point 858 (430/432) ======================= q-point: (-0.18 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -7.450 -0.000 12.729) 14.749 2.341 ( -9.466 -0.000 15.927) 18.528 3.315 ( 10.015 0.000 -14.337) 17.489 3.414 ( 6.727 0.000 -1.113) 6.819 3.544 ( -5.157 -0.000 -2.500) 5.731 4.338 ( -12.120 -0.000 -2.373) 12.350 4.429 ( -6.678 -0.000 -11.884) 13.632 4.569 ( 0.714 0.000 1.196) 1.393 5.305 ( 27.439 0.000 3.659) 27.682 5.485 ( 2.161 0.000 -1.866) 2.855 6.269 ( 9.228 0.000 -4.471) 10.254 6.285 ( -4.909 -0.000 15.717) 16.466 6.733 ( 7.312 0.000 10.981) 13.193 6.828 ( 2.477 0.000 -2.787) 3.729 7.361 ( -4.727 -0.000 -4.725) 6.684 8.604 ( 15.295 0.000 13.960) 20.708 8.977 ( 3.693 0.000 9.584) 10.271 9.372 ( -11.159 -0.000 1.797) 11.303 9.719 ( 5.052 0.000 -12.843) 13.800 10.552 ( -23.348 -0.000 35.396) 42.403 10.618 ( 9.200 0.000 -14.405) 17.092 11.180 ( -23.966 -0.000 -2.924) 24.143 11.809 ( 4.463 0.000 -4.745) 6.514 12.728 ( -3.788 -0.000 -3.561) 5.198 12.851 ( 2.333 0.000 7.380) 7.740 13.324 ( -6.949 -0.000 -1.336) 7.076 13.658 ( -2.757 -0.000 2.657) 3.829 14.590 ( 8.272 0.000 -20.846) 22.427 17.915 ( 7.975 0.000 -17.557) 19.283 18.565 ( 15.110 0.000 19.039) 24.306 19.709 ( 14.150 0.000 -3.698) 14.625 19.852 ( -9.419 -0.000 -13.995) 16.870 20.370 ( -5.301 -0.000 8.780) 10.256 22.932 ( 17.396 0.000 -4.562) 17.984 24.072 ( -10.119 -0.000 5.727) 11.627 24.326 ( -15.804 -0.000 -13.323) 20.670 ======================= Grid point 859 (431/432) ======================= q-point: (-0.09 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.728 -2.483 16.854) 17.253 2.483 ( -4.038 -5.531 19.353) 20.529 3.290 ( 7.409 -0.304 -11.164) 13.402 3.426 ( -5.517 0.508 -4.102) 6.893 3.489 ( 6.835 -2.509 -3.363) 8.020 4.104 ( -11.318 5.887 -6.874) 14.491 4.221 ( -4.915 4.869 -4.529) 8.269 4.611 ( -2.297 -7.959 0.629) 8.308 5.517 ( 3.616 1.160 3.034) 4.861 5.708 ( 25.088 -1.331 2.707) 25.269 6.340 ( 5.858 5.212 3.377) 8.537 6.401 ( 1.768 -2.157 6.173) 6.774 6.788 ( 0.530 4.470 -0.582) 4.539 6.963 ( 6.764 -4.593 2.586) 8.575 7.296 ( -3.722 1.794 7.635) 8.682 8.868 ( 9.610 12.808 11.118) 19.494 9.242 ( 4.243 -12.371 13.842) 19.043 9.286 ( -4.366 -0.574 3.470) 5.607 9.683 ( 7.142 -6.918 -10.353) 14.354 10.478 ( 2.018 14.508 -7.893) 16.639 10.650 ( -23.340 -1.407 23.048) 32.832 10.912 ( -13.144 -5.317 1.924) 14.309 11.698 ( -4.180 2.203 -12.151) 13.037 12.649 ( -3.316 3.168 -0.799) 4.655 13.019 ( 3.360 -5.406 8.854) 10.904 13.196 ( -7.300 -3.080 -4.586) 9.155 13.670 ( -3.219 -3.877 3.228) 5.985 14.450 ( 8.015 1.954 -19.860) 21.506 17.840 ( 8.352 0.750 -13.086) 15.542 18.953 ( 17.323 1.981 12.224) 21.294 19.483 ( -13.804 4.909 -17.762) 23.025 19.880 ( 15.912 -1.778 -4.935) 16.754 20.450 ( -1.300 -3.346 11.899) 12.428 23.116 ( 15.848 -1.046 -2.651) 16.102 23.764 ( -19.456 19.334 -7.484) 28.431 24.105 ( -16.207 -17.282 -4.199) 24.061 ======================= Grid point 870 (432/432) ======================= q-point: (-0.09 -0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 3.402 0.000 14.680) 15.069 2.672 ( -0.257 -0.000 21.254) 21.256 3.209 ( -3.593 -0.000 -6.888) 7.769 3.345 ( 3.557 0.000 -7.546) 8.343 3.514 ( 6.722 0.000 -6.645) 9.452 3.892 ( -10.613 -0.000 -7.892) 13.226 4.172 ( 0.565 0.000 -2.301) 2.370 4.536 ( -4.835 -0.000 -0.056) 4.835 5.632 ( 3.919 0.000 8.407) 9.275 6.018 ( 18.657 0.000 0.048) 18.657 6.437 ( -6.402 -0.000 11.488) 13.152 6.521 ( 14.700 0.000 -3.683) 15.154 6.768 ( -4.056 -0.000 0.482) 4.084 7.003 ( 5.624 0.000 -6.496) 8.593 7.499 ( 4.851 0.000 22.204) 22.728 9.152 ( 7.149 0.000 3.192) 7.829 9.279 ( -2.298 -0.000 7.231) 7.587 9.429 ( -0.854 -0.000 20.809) 20.826 9.611 ( 8.145 0.000 -11.994) 14.498 10.431 ( 6.467 0.000 -19.326) 20.380 10.519 ( -26.519 -0.000 15.264) 30.598 10.916 ( -6.248 -0.000 21.902) 22.776 11.451 ( -7.236 -0.000 -16.669) 18.172 12.559 ( -10.951 -0.000 -5.985) 12.480 13.065 ( 2.975 0.000 -6.472) 7.123 13.132 ( -0.352 -0.000 9.693) 9.699 13.669 ( -2.098 -0.000 5.530) 5.915 14.343 ( 6.947 0.000 -17.154) 18.507 17.834 ( 9.764 0.000 -8.670) 13.058 19.074 ( -16.199 -0.000 -20.491) 26.121 19.301 ( 18.104 0.000 6.240) 19.149 19.940 ( 0.703 0.000 -2.180) 2.290 20.701 ( 17.137 0.000 15.065) 22.818 23.280 ( 11.999 0.000 -1.175) 12.056 23.354 ( -27.041 -0.000 -17.609) 32.269 23.861 ( -12.851 -0.000 2.586) 13.109 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/56628 10.0 1065.362 2208.181 1172.701 -0.000 -92.372 -0.000 3/56628 20.0 521.833 626.923 557.030 -0.000 -6.310 -0.000 3/56628 30.0 209.544 208.943 221.674 -0.000 -2.217 -0.000 3/56628 40.0 106.322 97.523 111.876 -0.000 -1.097 -0.000 3/56628 50.0 64.922 56.952 68.190 -0.000 -0.648 -0.000 3/56628 60.0 44.819 38.265 47.053 -0.000 -0.478 -0.000 3/56628 70.0 33.568 28.150 35.241 -0.000 -0.417 -0.000 3/56628 80.0 26.592 22.026 27.920 -0.000 -0.397 -0.000 3/56628 90.0 21.928 18.007 23.025 -0.000 -0.389 -0.000 3/56628 100.0 18.629 15.207 19.560 -0.000 -0.384 -0.000 3/56628 110.0 16.190 13.162 16.998 -0.000 -0.378 -0.000 3/56628 120.0 14.323 11.611 15.035 -0.000 -0.370 -0.000 3/56628 130.0 12.853 10.399 13.488 -0.000 -0.360 -0.000 3/56628 140.0 11.668 9.427 12.241 -0.000 -0.349 -0.000 3/56628 150.0 10.694 8.631 11.214 -0.000 -0.337 -0.000 3/56628 160.0 9.879 7.966 10.355 -0.000 -0.325 -0.000 3/56628 170.0 9.188 7.403 9.625 -0.000 -0.312 -0.000 3/56628 180.0 8.594 6.920 8.998 -0.000 -0.299 -0.000 3/56628 190.0 8.078 6.499 8.452 -0.000 -0.287 -0.000 3/56628 200.0 7.626 6.131 7.974 -0.000 -0.275 -0.000 3/56628 210.0 7.226 5.805 7.550 -0.000 -0.263 -0.000 3/56628 220.0 6.870 5.513 7.172 -0.000 -0.252 -0.000 3/56628 230.0 6.550 5.252 6.832 -0.000 -0.241 -0.000 3/56628 240.0 6.261 5.016 6.525 -0.000 -0.231 -0.000 3/56628 250.0 5.998 4.801 6.246 -0.000 -0.222 -0.000 3/56628 260.0 5.759 4.605 5.992 -0.000 -0.213 -0.000 3/56628 270.0 5.539 4.425 5.758 -0.000 -0.204 -0.000 3/56628 280.0 5.337 4.259 5.543 -0.000 -0.196 -0.000 3/56628 290.0 5.149 4.106 5.345 -0.000 -0.189 -0.000 3/56628 300.0 4.976 3.964 5.160 -0.000 -0.182 -0.000 3/56628 310.0 4.814 3.832 4.989 -0.000 -0.175 -0.000 3/56628 320.0 4.664 3.709 4.829 -0.000 -0.169 -0.000 3/56628 330.0 4.522 3.594 4.679 -0.000 -0.163 -0.000 3/56628 340.0 4.390 3.486 4.539 -0.000 -0.157 -0.000 3/56628 350.0 4.266 3.384 4.407 -0.000 -0.152 -0.000 3/56628 360.0 4.148 3.289 4.283 -0.000 -0.147 -0.000 3/56628 370.0 4.037 3.198 4.166 -0.000 -0.143 -0.000 3/56628 380.0 3.933 3.113 4.055 -0.000 -0.138 -0.000 3/56628 390.0 3.833 3.032 3.950 -0.000 -0.134 -0.000 3/56628 400.0 3.739 2.956 3.851 -0.000 -0.130 -0.000 3/56628 410.0 3.649 2.883 3.757 -0.000 -0.126 -0.000 3/56628 420.0 3.564 2.814 3.667 -0.000 -0.123 -0.000 3/56628 430.0 3.483 2.748 3.581 -0.000 -0.120 -0.000 3/56628 440.0 3.405 2.685 3.500 -0.000 -0.116 -0.000 3/56628 450.0 3.331 2.625 3.422 -0.000 -0.113 -0.000 3/56628 460.0 3.260 2.568 3.347 -0.000 -0.110 -0.000 3/56628 470.0 3.192 2.513 3.276 -0.000 -0.108 -0.000 3/56628 480.0 3.127 2.461 3.208 -0.000 -0.105 -0.000 3/56628 490.0 3.064 2.411 3.142 -0.000 -0.103 -0.000 3/56628 500.0 3.004 2.362 3.080 -0.000 -0.100 -0.000 3/56628 510.0 2.946 2.316 3.019 -0.000 -0.098 -0.000 3/56628 520.0 2.891 2.271 2.961 -0.000 -0.096 -0.000 3/56628 530.0 2.837 2.229 2.906 -0.000 -0.094 -0.000 3/56628 540.0 2.786 2.187 2.852 -0.000 -0.092 -0.000 3/56628 550.0 2.736 2.148 2.800 -0.000 -0.090 -0.000 3/56628 560.0 2.688 2.109 2.750 -0.000 -0.088 -0.000 3/56628 570.0 2.642 2.072 2.702 -0.000 -0.086 -0.000 3/56628 580.0 2.598 2.037 2.656 -0.000 -0.084 -0.000 3/56628 590.0 2.554 2.002 2.611 -0.000 -0.083 -0.000 3/56628 600.0 2.513 1.969 2.568 -0.000 -0.081 -0.000 3/56628 610.0 2.472 1.937 2.526 -0.000 -0.080 -0.000 3/56628 620.0 2.433 1.905 2.485 -0.000 -0.078 -0.000 3/56628 630.0 2.395 1.875 2.446 -0.000 -0.077 -0.000 3/56628 640.0 2.358 1.846 2.408 -0.000 -0.076 -0.000 3/56628 650.0 2.323 1.818 2.371 -0.000 -0.074 -0.000 3/56628 660.0 2.288 1.790 2.335 -0.000 -0.073 -0.000 3/56628 670.0 2.255 1.764 2.300 -0.000 -0.072 -0.000 3/56628 680.0 2.222 1.738 2.267 -0.000 -0.071 -0.000 3/56628 690.0 2.190 1.713 2.234 -0.000 -0.069 -0.000 3/56628 700.0 2.160 1.688 2.202 -0.000 -0.068 -0.000 3/56628 710.0 2.130 1.665 2.171 -0.000 -0.067 -0.000 3/56628 720.0 2.101 1.641 2.141 -0.000 -0.066 -0.000 3/56628 730.0 2.072 1.619 2.112 -0.000 -0.065 -0.000 3/56628 740.0 2.045 1.597 2.083 -0.000 -0.064 -0.000 3/56628 750.0 2.018 1.576 2.056 -0.000 -0.063 -0.000 3/56628 760.0 1.992 1.555 2.029 -0.000 -0.062 -0.000 3/56628 770.0 1.966 1.535 2.003 -0.000 -0.061 -0.000 3/56628 780.0 1.941 1.516 1.977 -0.000 -0.061 -0.000 3/56628 790.0 1.917 1.496 1.952 -0.000 -0.060 -0.000 3/56628 800.0 1.893 1.478 1.928 -0.000 -0.059 -0.000 3/56628 810.0 1.870 1.460 1.904 -0.000 -0.058 -0.000 3/56628 820.0 1.848 1.442 1.881 -0.000 -0.057 -0.000 3/56628 830.0 1.826 1.424 1.858 -0.000 -0.057 -0.000 3/56628 840.0 1.804 1.408 1.836 -0.000 -0.056 -0.000 3/56628 850.0 1.784 1.391 1.815 -0.000 -0.055 -0.000 3/56628 860.0 1.763 1.375 1.794 -0.000 -0.054 -0.000 3/56628 870.0 1.743 1.359 1.773 -0.000 -0.054 -0.000 3/56628 880.0 1.723 1.344 1.753 -0.000 -0.053 -0.000 3/56628 890.0 1.704 1.329 1.734 -0.000 -0.052 -0.000 3/56628 900.0 1.686 1.314 1.714 -0.000 -0.052 -0.000 3/56628 910.0 1.667 1.300 1.696 -0.000 -0.051 -0.000 3/56628 920.0 1.649 1.285 1.677 -0.000 -0.051 -0.000 3/56628 930.0 1.632 1.272 1.659 -0.000 -0.050 -0.000 3/56628 940.0 1.615 1.258 1.642 -0.000 -0.049 -0.000 3/56628 950.0 1.598 1.245 1.624 -0.000 -0.049 -0.000 3/56628 960.0 1.581 1.232 1.608 -0.000 -0.048 -0.000 3/56628 970.0 1.565 1.219 1.591 -0.000 -0.048 -0.000 3/56628 980.0 1.549 1.207 1.575 -0.000 -0.047 -0.000 3/56628 990.0 1.534 1.195 1.559 -0.000 -0.047 -0.000 3/56628 1000.0 1.519 1.183 1.543 -0.000 -0.046 -0.000 3/56628 Thermal conductivity related properties were written into "kappa-m111113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:50:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|