----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:30:18]------------------------- 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 1] 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: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.588347251530376 -3.880851630000000 0.000000000000000 b 3.588347251530376 3.880851630000000 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): *1 O 0.56131280687952 0.01760191163985 0.62838901924276 15.999 2 O 0.98239808836015 0.43868719312048 0.87161098075724 15.999 3 O 0.43868719312049 0.98239808836015 0.37161098075724 15.999 4 O 0.01760191163985 0.56131280687952 0.12838901924276 15.999 *5 O 0.48121819299074 0.31633211876884 0.89749615221625 15.999 6 O 0.68366788123116 0.51878180700926 0.60250384778375 15.999 7 O 0.51878180700927 0.68366788123116 0.10250384778376 15.999 8 O 0.31633211876884 0.48121819299073 0.39749615221625 15.999 *9 O 0.83660607382734 0.16339392617266 0.25000000000000 15.999 10 O 0.16339392617266 0.83660607382734 0.75000000000000 15.999 *11 O 0.85609306669602 0.71969540602555 0.39795002939500 15.999 12 O 0.28030459397445 0.14390693330398 0.10204997060500 15.999 13 O 0.14390693330398 0.28030459397445 0.60204997060500 15.999 14 O 0.71969540602555 0.85609306669602 0.89795002939500 15.999 *15 Al 0.40564667860063 0.25254002547859 0.52134854783175 26.982 16 Al 0.74745997452141 0.59435332139937 0.97865145216825 26.982 17 Al 0.59435332139937 0.74745997452141 0.47865145216825 26.982 18 Al 0.25254002547859 0.40564667860063 0.02134854783175 26.982 *19 Ge 0.48838581137492 0.99186238426761 0.79431233977658 72.640 20 Ge 0.00813761573239 0.51161418862508 0.70568766022342 72.640 21 Ge 0.51161418862508 0.00813761573239 0.20568766022342 72.640 22 Ge 0.99186238426761 0.48838581137492 0.29431233977658 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.176694503060752 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761703259999999 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): *1 O 0.28945735925968 0.72814455238017 0.62838901924276 15.999 > 1 2 O 0.71054264074032 0.72814455238017 0.87161098075724 15.999 > 2 3 O 0.71054264074032 0.27185544761983 0.37161098075724 15.999 > 3 4 O 0.28945735925968 0.27185544761983 0.12838901924276 15.999 > 4 *5 O 0.39877515587979 0.91755696288905 0.89749615221625 15.999 > 5 6 O 0.60122484412021 0.91755696288905 0.60250384778375 15.999 > 6 7 O 0.60122484412021 0.08244303711095 0.10250384778376 15.999 > 7 8 O 0.39877515587979 0.08244303711095 0.39749615221625 15.999 > 8 *9 O 0.50000000000000 0.66339392617266 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.33660607382734 0.75000000000000 15.999 > 10 *11 O 0.78789423636078 0.93180116966476 0.39795002939500 15.999 > 11 12 O 0.21210576363922 0.93180116966476 0.10204997060500 15.999 > 12 13 O 0.21210576363922 0.06819883033524 0.60204997060500 15.999 > 13 14 O 0.78789423636078 0.06819883033524 0.89795002939500 15.999 > 14 15 O 0.78945735925968 0.22814455238017 0.62838901924276 15.999 > 1 16 O 0.21054264074032 0.22814455238017 0.87161098075724 15.999 > 2 17 O 0.21054264074032 0.77185544761983 0.37161098075724 15.999 > 3 18 O 0.78945735925968 0.77185544761983 0.12838901924276 15.999 > 4 19 O 0.89877515587979 0.41755696288905 0.89749615221625 15.999 > 5 20 O 0.10122484412021 0.41755696288905 0.60250384778375 15.999 > 6 21 O 0.10122484412021 0.58244303711095 0.10250384778376 15.999 > 7 22 O 0.89877515587979 0.58244303711095 0.39749615221625 15.999 > 8 23 O 0.00000000000000 0.16339392617266 0.25000000000000 15.999 > 9 24 O 0.00000000000000 0.83660607382734 0.75000000000000 15.999 > 10 25 O 0.28789423636078 0.43180116966476 0.39795002939500 15.999 > 11 26 O 0.71210576363922 0.43180116966476 0.10204997060500 15.999 > 12 27 O 0.71210576363922 0.56819883033524 0.60204997060500 15.999 > 13 28 O 0.28789423636078 0.56819883033524 0.89795002939500 15.999 > 14 *29 Al 0.32909335203961 0.92344667343898 0.52134854783175 26.982 > 15 30 Al 0.67090664796039 0.92344667343898 0.97865145216825 26.982 > 16 31 Al 0.67090664796039 0.07655332656102 0.47865145216825 26.982 > 17 32 Al 0.32909335203961 0.07655332656102 0.02134854783175 26.982 > 18 33 Al 0.82909335203961 0.42344667343898 0.52134854783175 26.982 > 15 34 Al 0.17090664796039 0.42344667343898 0.97865145216825 26.982 > 16 35 Al 0.17090664796039 0.57655332656102 0.47865145216825 26.982 > 17 36 Al 0.82909335203961 0.57655332656102 0.02134854783175 26.982 > 18 *37 Ge 0.74012409782127 0.25173828644635 0.79431233977658 72.640 > 19 38 Ge 0.25987590217873 0.25173828644635 0.70568766022342 72.640 > 20 39 Ge 0.25987590217873 0.74826171355365 0.20568766022342 72.640 > 21 40 Ge 0.74012409782127 0.74826171355365 0.29431233977658 72.640 > 22 41 Ge 0.24012409782127 0.75173828644635 0.79431233977658 72.640 > 19 42 Ge 0.75987590217873 0.75173828644635 0.70568766022342 72.640 > 20 43 Ge 0.75987590217873 0.24826171355365 0.20568766022342 72.640 > 21 44 Ge 0.24012409782127 0.24826171355365 0.29431233977658 72.640 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.353389006121503 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761703259999999 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): *1 O 0.14472867962984 0.72814455238017 0.62838901924276 15.999 > 1 2 O 0.64472867962984 0.72814455238017 0.62838901924276 15.999 > 1 3 O 0.35527132037016 0.72814455238017 0.87161098075724 15.999 > 2 4 O 0.85527132037016 0.72814455238017 0.87161098075724 15.999 > 2 5 O 0.35527132037016 0.27185544761983 0.37161098075724 15.999 > 3 6 O 0.85527132037016 0.27185544761983 0.37161098075724 15.999 > 3 7 O 0.14472867962984 0.27185544761983 0.12838901924276 15.999 > 4 8 O 0.64472867962984 0.27185544761983 0.12838901924276 15.999 > 4 *9 O 0.19938757793989 0.91755696288905 0.89749615221625 15.999 > 5 10 O 0.69938757793989 0.91755696288905 0.89749615221625 15.999 > 5 11 O 0.30061242206011 0.91755696288905 0.60250384778375 15.999 > 6 12 O 0.80061242206011 0.91755696288905 0.60250384778375 15.999 > 6 13 O 0.30061242206011 0.08244303711095 0.10250384778376 15.999 > 7 14 O 0.80061242206011 0.08244303711095 0.10250384778376 15.999 > 7 15 O 0.19938757793989 0.08244303711095 0.39749615221625 15.999 > 8 16 O 0.69938757793989 0.08244303711095 0.39749615221625 15.999 > 8 *17 O 0.25000000000000 0.66339392617266 0.25000000000000 15.999 > 9 18 O 0.75000000000000 0.66339392617266 0.25000000000000 15.999 > 9 19 O 0.25000000000000 0.33660607382734 0.75000000000000 15.999 > 10 20 O 0.75000000000000 0.33660607382734 0.75000000000000 15.999 > 10 *21 O 0.39394711818039 0.93180116966476 0.39795002939500 15.999 > 11 22 O 0.89394711818039 0.93180116966476 0.39795002939500 15.999 > 11 23 O 0.10605288181961 0.93180116966476 0.10204997060500 15.999 > 12 24 O 0.60605288181961 0.93180116966476 0.10204997060500 15.999 > 12 25 O 0.10605288181961 0.06819883033524 0.60204997060500 15.999 > 13 26 O 0.60605288181961 0.06819883033524 0.60204997060500 15.999 > 13 27 O 0.39394711818039 0.06819883033524 0.89795002939500 15.999 > 14 28 O 0.89394711818039 0.06819883033524 0.89795002939500 15.999 > 14 29 O 0.39472867962984 0.22814455238017 0.62838901924276 15.999 > 1 30 O 0.89472867962984 0.22814455238017 0.62838901924276 15.999 > 1 31 O 0.10527132037016 0.22814455238017 0.87161098075724 15.999 > 2 32 O 0.60527132037016 0.22814455238017 0.87161098075724 15.999 > 2 33 O 0.10527132037016 0.77185544761983 0.37161098075724 15.999 > 3 34 O 0.60527132037016 0.77185544761983 0.37161098075724 15.999 > 3 35 O 0.39472867962984 0.77185544761983 0.12838901924276 15.999 > 4 36 O 0.89472867962984 0.77185544761983 0.12838901924276 15.999 > 4 37 O 0.44938757793989 0.41755696288905 0.89749615221625 15.999 > 5 38 O 0.94938757793989 0.41755696288905 0.89749615221625 15.999 > 5 39 O 0.05061242206011 0.41755696288905 0.60250384778375 15.999 > 6 40 O 0.55061242206011 0.41755696288905 0.60250384778375 15.999 > 6 41 O 0.05061242206011 0.58244303711095 0.10250384778376 15.999 > 7 42 O 0.55061242206011 0.58244303711095 0.10250384778376 15.999 > 7 43 O 0.44938757793989 0.58244303711095 0.39749615221625 15.999 > 8 44 O 0.94938757793989 0.58244303711095 0.39749615221625 15.999 > 8 45 O 0.00000000000000 0.16339392617266 0.25000000000000 15.999 > 9 46 O 0.50000000000000 0.16339392617266 0.25000000000000 15.999 > 9 47 O 0.00000000000000 0.83660607382734 0.75000000000000 15.999 > 10 48 O 0.50000000000000 0.83660607382734 0.75000000000000 15.999 > 10 49 O 0.14394711818039 0.43180116966476 0.39795002939500 15.999 > 11 50 O 0.64394711818039 0.43180116966476 0.39795002939500 15.999 > 11 51 O 0.35605288181961 0.43180116966476 0.10204997060500 15.999 > 12 52 O 0.85605288181961 0.43180116966476 0.10204997060500 15.999 > 12 53 O 0.35605288181961 0.56819883033524 0.60204997060500 15.999 > 13 54 O 0.85605288181961 0.56819883033524 0.60204997060500 15.999 > 13 55 O 0.14394711818039 0.56819883033524 0.89795002939500 15.999 > 14 56 O 0.64394711818039 0.56819883033524 0.89795002939500 15.999 > 14 *57 Al 0.16454667601980 0.92344667343898 0.52134854783175 26.982 > 15 58 Al 0.66454667601980 0.92344667343898 0.52134854783175 26.982 > 15 59 Al 0.33545332398020 0.92344667343898 0.97865145216825 26.982 > 16 60 Al 0.83545332398020 0.92344667343898 0.97865145216825 26.982 > 16 61 Al 0.33545332398020 0.07655332656102 0.47865145216825 26.982 > 17 62 Al 0.83545332398020 0.07655332656102 0.47865145216825 26.982 > 17 63 Al 0.16454667601980 0.07655332656102 0.02134854783175 26.982 > 18 64 Al 0.66454667601980 0.07655332656102 0.02134854783175 26.982 > 18 65 Al 0.41454667601980 0.42344667343898 0.52134854783175 26.982 > 15 66 Al 0.91454667601980 0.42344667343898 0.52134854783175 26.982 > 15 67 Al 0.08545332398020 0.42344667343898 0.97865145216825 26.982 > 16 68 Al 0.58545332398020 0.42344667343898 0.97865145216825 26.982 > 16 69 Al 0.08545332398020 0.57655332656102 0.47865145216825 26.982 > 17 70 Al 0.58545332398020 0.57655332656102 0.47865145216825 26.982 > 17 71 Al 0.41454667601980 0.57655332656102 0.02134854783175 26.982 > 18 72 Al 0.91454667601980 0.57655332656102 0.02134854783175 26.982 > 18 *73 Ge 0.37006204891063 0.25173828644635 0.79431233977658 72.640 > 19 74 Ge 0.87006204891063 0.25173828644635 0.79431233977658 72.640 > 19 75 Ge 0.12993795108937 0.25173828644635 0.70568766022342 72.640 > 20 76 Ge 0.62993795108937 0.25173828644635 0.70568766022342 72.640 > 20 77 Ge 0.12993795108937 0.74826171355365 0.20568766022342 72.640 > 21 78 Ge 0.62993795108937 0.74826171355365 0.20568766022342 72.640 > 21 79 Ge 0.37006204891063 0.74826171355365 0.29431233977658 72.640 > 22 80 Ge 0.87006204891063 0.74826171355365 0.29431233977658 72.640 > 22 81 Ge 0.12006204891063 0.75173828644635 0.79431233977658 72.640 > 19 82 Ge 0.62006204891063 0.75173828644635 0.79431233977658 72.640 > 19 83 Ge 0.37993795108937 0.75173828644635 0.70568766022342 72.640 > 20 84 Ge 0.87993795108937 0.75173828644635 0.70568766022342 72.640 > 20 85 Ge 0.37993795108937 0.24826171355365 0.20568766022342 72.640 > 21 86 Ge 0.87993795108937 0.24826171355365 0.20568766022342 72.640 > 21 87 Ge 0.12006204891063 0.24826171355365 0.29431233977658 72.640 > 22 88 Ge 0.62006204891063 0.24826171355365 0.29431233977658 72.640 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1263763 0.0000000 -0.0264578 0.0000000 3.1618630 0.0000000 -0.0264596 0.0000000 3.2132461 -------------------------- Born effective charges -------------------------- 1 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 2 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 3 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 4 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 5 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 6 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 7 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 8 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 9 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 10 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 11 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 12 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 13 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 14 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 15 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 16 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 17 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 18 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 19 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 20 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 21 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 22 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2278 Number of blocks in projector: 2278 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2278, 2229), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (482, 472), data: True |-- (482, 472), data: True |-- (486, 475), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.090 Solver_block: 200 / 720 - Time: 0.865 Solver_block: 300 / 720 - Time: 0.514 Solver_block: 400 / 720 - Time: 0.503 Solver_block: 500 / 720 - Time: 0.493 Solver_block: 600 / 720 - Time: 0.567 Solver_block: 700 / 720 - Time: 0.500 Solver_block: 720 / 720 - Time: 0.213 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.861 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2278 Number of blocks in projector: 2278 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2278, 2229), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (482, 472), data: True |-- (482, 472), data: True |-- (486, 475), 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 23:30:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:54]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.588347251530376 -3.880851630000000 0.000000000000000 b 3.588347251530376 3.880851630000000 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): 1 O 0.56131280687952 0.01760191163985 0.62838901924276 15.999 2 O 0.98239808836015 0.43868719312048 0.87161098075724 15.999 3 O 0.43868719312049 0.98239808836015 0.37161098075724 15.999 4 O 0.01760191163985 0.56131280687952 0.12838901924276 15.999 5 O 0.48121819299074 0.31633211876884 0.89749615221625 15.999 6 O 0.68366788123116 0.51878180700926 0.60250384778375 15.999 7 O 0.51878180700927 0.68366788123116 0.10250384778376 15.999 8 O 0.31633211876884 0.48121819299073 0.39749615221625 15.999 9 O 0.83660607382734 0.16339392617266 0.25000000000000 15.999 10 O 0.16339392617266 0.83660607382734 0.75000000000000 15.999 11 O 0.85609306669602 0.71969540602555 0.39795002939500 15.999 12 O 0.28030459397445 0.14390693330398 0.10204997060500 15.999 13 O 0.14390693330398 0.28030459397445 0.60204997060500 15.999 14 O 0.71969540602555 0.85609306669602 0.89795002939500 15.999 15 Al 0.40564667860063 0.25254002547859 0.52134854783175 26.982 16 Al 0.74745997452141 0.59435332139937 0.97865145216825 26.982 17 Al 0.59435332139937 0.74745997452141 0.47865145216825 26.982 18 Al 0.25254002547859 0.40564667860063 0.02134854783175 26.982 19 Ge 0.48838581137492 0.99186238426761 0.79431233977658 72.640 20 Ge 0.00813761573239 0.51161418862508 0.70568766022342 72.640 21 Ge 0.51161418862508 0.00813761573239 0.20568766022342 72.640 22 Ge 0.99186238426761 0.48838581137492 0.29431233977658 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.353389006121503 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761703259999999 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): 1 O 0.14472867962984 0.72814455238017 0.62838901924276 15.999 > 1 2 O 0.64472867962984 0.72814455238017 0.62838901924276 15.999 > 1 3 O 0.35527132037016 0.72814455238017 0.87161098075724 15.999 > 3 4 O 0.85527132037016 0.72814455238017 0.87161098075724 15.999 > 3 5 O 0.35527132037016 0.27185544761983 0.37161098075724 15.999 > 5 6 O 0.85527132037016 0.27185544761983 0.37161098075724 15.999 > 5 7 O 0.14472867962984 0.27185544761983 0.12838901924276 15.999 > 7 8 O 0.64472867962984 0.27185544761983 0.12838901924276 15.999 > 7 9 O 0.19938757793989 0.91755696288905 0.89749615221625 15.999 > 9 10 O 0.69938757793989 0.91755696288905 0.89749615221625 15.999 > 9 11 O 0.30061242206011 0.91755696288905 0.60250384778375 15.999 > 11 12 O 0.80061242206011 0.91755696288905 0.60250384778375 15.999 > 11 13 O 0.30061242206011 0.08244303711095 0.10250384778376 15.999 > 13 14 O 0.80061242206011 0.08244303711095 0.10250384778376 15.999 > 13 15 O 0.19938757793989 0.08244303711095 0.39749615221625 15.999 > 15 16 O 0.69938757793989 0.08244303711095 0.39749615221625 15.999 > 15 17 O 0.25000000000000 0.66339392617266 0.25000000000000 15.999 > 17 18 O 0.75000000000000 0.66339392617266 0.25000000000000 15.999 > 17 19 O 0.25000000000000 0.33660607382734 0.75000000000000 15.999 > 19 20 O 0.75000000000000 0.33660607382734 0.75000000000000 15.999 > 19 21 O 0.39394711818039 0.93180116966476 0.39795002939500 15.999 > 21 22 O 0.89394711818039 0.93180116966476 0.39795002939500 15.999 > 21 23 O 0.10605288181961 0.93180116966476 0.10204997060500 15.999 > 23 24 O 0.60605288181961 0.93180116966476 0.10204997060500 15.999 > 23 25 O 0.10605288181961 0.06819883033524 0.60204997060500 15.999 > 25 26 O 0.60605288181961 0.06819883033524 0.60204997060500 15.999 > 25 27 O 0.39394711818039 0.06819883033524 0.89795002939500 15.999 > 27 28 O 0.89394711818039 0.06819883033524 0.89795002939500 15.999 > 27 29 O 0.39472867962984 0.22814455238017 0.62838901924276 15.999 > 1 30 O 0.89472867962984 0.22814455238017 0.62838901924276 15.999 > 1 31 O 0.10527132037016 0.22814455238017 0.87161098075724 15.999 > 3 32 O 0.60527132037016 0.22814455238017 0.87161098075724 15.999 > 3 33 O 0.10527132037016 0.77185544761983 0.37161098075724 15.999 > 5 34 O 0.60527132037016 0.77185544761983 0.37161098075724 15.999 > 5 35 O 0.39472867962984 0.77185544761983 0.12838901924276 15.999 > 7 36 O 0.89472867962984 0.77185544761983 0.12838901924276 15.999 > 7 37 O 0.44938757793989 0.41755696288905 0.89749615221625 15.999 > 9 38 O 0.94938757793989 0.41755696288905 0.89749615221625 15.999 > 9 39 O 0.05061242206011 0.41755696288905 0.60250384778375 15.999 > 11 40 O 0.55061242206011 0.41755696288905 0.60250384778375 15.999 > 11 41 O 0.05061242206011 0.58244303711095 0.10250384778376 15.999 > 13 42 O 0.55061242206011 0.58244303711095 0.10250384778376 15.999 > 13 43 O 0.44938757793989 0.58244303711095 0.39749615221625 15.999 > 15 44 O 0.94938757793989 0.58244303711095 0.39749615221625 15.999 > 15 45 O 0.00000000000000 0.16339392617266 0.25000000000000 15.999 > 17 46 O 0.50000000000000 0.16339392617266 0.25000000000000 15.999 > 17 47 O 0.00000000000000 0.83660607382734 0.75000000000000 15.999 > 19 48 O 0.50000000000000 0.83660607382734 0.75000000000000 15.999 > 19 49 O 0.14394711818039 0.43180116966476 0.39795002939500 15.999 > 21 50 O 0.64394711818039 0.43180116966476 0.39795002939500 15.999 > 21 51 O 0.35605288181961 0.43180116966476 0.10204997060500 15.999 > 23 52 O 0.85605288181961 0.43180116966476 0.10204997060500 15.999 > 23 53 O 0.35605288181961 0.56819883033524 0.60204997060500 15.999 > 25 54 O 0.85605288181961 0.56819883033524 0.60204997060500 15.999 > 25 55 O 0.14394711818039 0.56819883033524 0.89795002939500 15.999 > 27 56 O 0.64394711818039 0.56819883033524 0.89795002939500 15.999 > 27 57 Al 0.16454667601980 0.92344667343898 0.52134854783175 26.982 > 57 58 Al 0.66454667601980 0.92344667343898 0.52134854783175 26.982 > 57 59 Al 0.33545332398020 0.92344667343898 0.97865145216825 26.982 > 59 60 Al 0.83545332398020 0.92344667343898 0.97865145216825 26.982 > 59 61 Al 0.33545332398020 0.07655332656102 0.47865145216825 26.982 > 61 62 Al 0.83545332398020 0.07655332656102 0.47865145216825 26.982 > 61 63 Al 0.16454667601980 0.07655332656102 0.02134854783175 26.982 > 63 64 Al 0.66454667601980 0.07655332656102 0.02134854783175 26.982 > 63 65 Al 0.41454667601980 0.42344667343898 0.52134854783175 26.982 > 57 66 Al 0.91454667601980 0.42344667343898 0.52134854783175 26.982 > 57 67 Al 0.08545332398020 0.42344667343898 0.97865145216825 26.982 > 59 68 Al 0.58545332398020 0.42344667343898 0.97865145216825 26.982 > 59 69 Al 0.08545332398020 0.57655332656102 0.47865145216825 26.982 > 61 70 Al 0.58545332398020 0.57655332656102 0.47865145216825 26.982 > 61 71 Al 0.41454667601980 0.57655332656102 0.02134854783175 26.982 > 63 72 Al 0.91454667601980 0.57655332656102 0.02134854783175 26.982 > 63 73 Ge 0.37006204891063 0.25173828644635 0.79431233977658 72.640 > 73 74 Ge 0.87006204891063 0.25173828644635 0.79431233977658 72.640 > 73 75 Ge 0.12993795108937 0.25173828644635 0.70568766022342 72.640 > 75 76 Ge 0.62993795108937 0.25173828644635 0.70568766022342 72.640 > 75 77 Ge 0.12993795108937 0.74826171355365 0.20568766022342 72.640 > 77 78 Ge 0.62993795108937 0.74826171355365 0.20568766022342 72.640 > 77 79 Ge 0.37006204891063 0.74826171355365 0.29431233977658 72.640 > 79 80 Ge 0.87006204891063 0.74826171355365 0.29431233977658 72.640 > 79 81 Ge 0.12006204891063 0.75173828644635 0.79431233977658 72.640 > 73 82 Ge 0.62006204891063 0.75173828644635 0.79431233977658 72.640 > 73 83 Ge 0.37993795108937 0.75173828644635 0.70568766022342 72.640 > 75 84 Ge 0.87993795108937 0.75173828644635 0.70568766022342 72.640 > 75 85 Ge 0.37993795108937 0.24826171355365 0.20568766022342 72.640 > 77 86 Ge 0.87993795108937 0.24826171355365 0.20568766022342 72.640 > 77 87 Ge 0.12006204891063 0.24826171355365 0.29431233977658 72.640 > 79 88 Ge 0.62006204891063 0.24826171355365 0.29431233977658 72.640 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1263763 0.0000000 -0.0264578 0.0000000 3.1618630 0.0000000 -0.0264596 0.0000000 3.2132461 -------------------------- Born effective charges -------------------------- 1 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 2 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 3 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 4 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 5 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 6 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 7 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 8 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 9 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 10 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 11 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 12 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 13 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 14 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 15 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 16 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 17 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 18 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 19 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 20 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 21 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 22 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 9, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 17, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 21, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 57, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 73, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 23:31:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:31:13]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.588347251530376 -3.880851630000000 0.000000000000000 b 3.588347251530376 3.880851630000000 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): 1 O 0.56131280687952 0.01760191163985 0.62838901924276 15.999 2 O 0.98239808836015 0.43868719312048 0.87161098075724 15.999 3 O 0.43868719312049 0.98239808836015 0.37161098075724 15.999 4 O 0.01760191163985 0.56131280687952 0.12838901924276 15.999 5 O 0.48121819299074 0.31633211876884 0.89749615221625 15.999 6 O 0.68366788123116 0.51878180700926 0.60250384778375 15.999 7 O 0.51878180700927 0.68366788123116 0.10250384778376 15.999 8 O 0.31633211876884 0.48121819299073 0.39749615221625 15.999 9 O 0.83660607382734 0.16339392617266 0.25000000000000 15.999 10 O 0.16339392617266 0.83660607382734 0.75000000000000 15.999 11 O 0.85609306669602 0.71969540602555 0.39795002939500 15.999 12 O 0.28030459397445 0.14390693330398 0.10204997060500 15.999 13 O 0.14390693330398 0.28030459397445 0.60204997060500 15.999 14 O 0.71969540602555 0.85609306669602 0.89795002939500 15.999 15 Al 0.40564667860063 0.25254002547859 0.52134854783175 26.982 16 Al 0.74745997452141 0.59435332139937 0.97865145216825 26.982 17 Al 0.59435332139937 0.74745997452141 0.47865145216825 26.982 18 Al 0.25254002547859 0.40564667860063 0.02134854783175 26.982 19 Ge 0.48838581137492 0.99186238426761 0.79431233977658 72.640 20 Ge 0.00813761573239 0.51161418862508 0.70568766022342 72.640 21 Ge 0.51161418862508 0.00813761573239 0.20568766022342 72.640 22 Ge 0.99186238426761 0.48838581137492 0.29431233977658 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.353389006121503 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761703259999999 0.000000000000000 c -3.422853117988363 0.000000000000000 9.114214677250175 Atomic positions (fractional): 1 O 0.14472867962984 0.72814455238017 0.62838901924276 15.999 > 1 2 O 0.64472867962984 0.72814455238017 0.62838901924276 15.999 > 1 3 O 0.35527132037016 0.72814455238017 0.87161098075724 15.999 > 3 4 O 0.85527132037016 0.72814455238017 0.87161098075724 15.999 > 3 5 O 0.35527132037016 0.27185544761983 0.37161098075724 15.999 > 5 6 O 0.85527132037016 0.27185544761983 0.37161098075724 15.999 > 5 7 O 0.14472867962984 0.27185544761983 0.12838901924276 15.999 > 7 8 O 0.64472867962984 0.27185544761983 0.12838901924276 15.999 > 7 9 O 0.19938757793989 0.91755696288905 0.89749615221625 15.999 > 9 10 O 0.69938757793989 0.91755696288905 0.89749615221625 15.999 > 9 11 O 0.30061242206011 0.91755696288905 0.60250384778375 15.999 > 11 12 O 0.80061242206011 0.91755696288905 0.60250384778375 15.999 > 11 13 O 0.30061242206011 0.08244303711095 0.10250384778376 15.999 > 13 14 O 0.80061242206011 0.08244303711095 0.10250384778376 15.999 > 13 15 O 0.19938757793989 0.08244303711095 0.39749615221625 15.999 > 15 16 O 0.69938757793989 0.08244303711095 0.39749615221625 15.999 > 15 17 O 0.25000000000000 0.66339392617266 0.25000000000000 15.999 > 17 18 O 0.75000000000000 0.66339392617266 0.25000000000000 15.999 > 17 19 O 0.25000000000000 0.33660607382734 0.75000000000000 15.999 > 19 20 O 0.75000000000000 0.33660607382734 0.75000000000000 15.999 > 19 21 O 0.39394711818039 0.93180116966476 0.39795002939500 15.999 > 21 22 O 0.89394711818039 0.93180116966476 0.39795002939500 15.999 > 21 23 O 0.10605288181961 0.93180116966476 0.10204997060500 15.999 > 23 24 O 0.60605288181961 0.93180116966476 0.10204997060500 15.999 > 23 25 O 0.10605288181961 0.06819883033524 0.60204997060500 15.999 > 25 26 O 0.60605288181961 0.06819883033524 0.60204997060500 15.999 > 25 27 O 0.39394711818039 0.06819883033524 0.89795002939500 15.999 > 27 28 O 0.89394711818039 0.06819883033524 0.89795002939500 15.999 > 27 29 O 0.39472867962984 0.22814455238017 0.62838901924276 15.999 > 1 30 O 0.89472867962984 0.22814455238017 0.62838901924276 15.999 > 1 31 O 0.10527132037016 0.22814455238017 0.87161098075724 15.999 > 3 32 O 0.60527132037016 0.22814455238017 0.87161098075724 15.999 > 3 33 O 0.10527132037016 0.77185544761983 0.37161098075724 15.999 > 5 34 O 0.60527132037016 0.77185544761983 0.37161098075724 15.999 > 5 35 O 0.39472867962984 0.77185544761983 0.12838901924276 15.999 > 7 36 O 0.89472867962984 0.77185544761983 0.12838901924276 15.999 > 7 37 O 0.44938757793989 0.41755696288905 0.89749615221625 15.999 > 9 38 O 0.94938757793989 0.41755696288905 0.89749615221625 15.999 > 9 39 O 0.05061242206011 0.41755696288905 0.60250384778375 15.999 > 11 40 O 0.55061242206011 0.41755696288905 0.60250384778375 15.999 > 11 41 O 0.05061242206011 0.58244303711095 0.10250384778376 15.999 > 13 42 O 0.55061242206011 0.58244303711095 0.10250384778376 15.999 > 13 43 O 0.44938757793989 0.58244303711095 0.39749615221625 15.999 > 15 44 O 0.94938757793989 0.58244303711095 0.39749615221625 15.999 > 15 45 O 0.00000000000000 0.16339392617266 0.25000000000000 15.999 > 17 46 O 0.50000000000000 0.16339392617266 0.25000000000000 15.999 > 17 47 O 0.00000000000000 0.83660607382734 0.75000000000000 15.999 > 19 48 O 0.50000000000000 0.83660607382734 0.75000000000000 15.999 > 19 49 O 0.14394711818039 0.43180116966476 0.39795002939500 15.999 > 21 50 O 0.64394711818039 0.43180116966476 0.39795002939500 15.999 > 21 51 O 0.35605288181961 0.43180116966476 0.10204997060500 15.999 > 23 52 O 0.85605288181961 0.43180116966476 0.10204997060500 15.999 > 23 53 O 0.35605288181961 0.56819883033524 0.60204997060500 15.999 > 25 54 O 0.85605288181961 0.56819883033524 0.60204997060500 15.999 > 25 55 O 0.14394711818039 0.56819883033524 0.89795002939500 15.999 > 27 56 O 0.64394711818039 0.56819883033524 0.89795002939500 15.999 > 27 57 Al 0.16454667601980 0.92344667343898 0.52134854783175 26.982 > 57 58 Al 0.66454667601980 0.92344667343898 0.52134854783175 26.982 > 57 59 Al 0.33545332398020 0.92344667343898 0.97865145216825 26.982 > 59 60 Al 0.83545332398020 0.92344667343898 0.97865145216825 26.982 > 59 61 Al 0.33545332398020 0.07655332656102 0.47865145216825 26.982 > 61 62 Al 0.83545332398020 0.07655332656102 0.47865145216825 26.982 > 61 63 Al 0.16454667601980 0.07655332656102 0.02134854783175 26.982 > 63 64 Al 0.66454667601980 0.07655332656102 0.02134854783175 26.982 > 63 65 Al 0.41454667601980 0.42344667343898 0.52134854783175 26.982 > 57 66 Al 0.91454667601980 0.42344667343898 0.52134854783175 26.982 > 57 67 Al 0.08545332398020 0.42344667343898 0.97865145216825 26.982 > 59 68 Al 0.58545332398020 0.42344667343898 0.97865145216825 26.982 > 59 69 Al 0.08545332398020 0.57655332656102 0.47865145216825 26.982 > 61 70 Al 0.58545332398020 0.57655332656102 0.47865145216825 26.982 > 61 71 Al 0.41454667601980 0.57655332656102 0.02134854783175 26.982 > 63 72 Al 0.91454667601980 0.57655332656102 0.02134854783175 26.982 > 63 73 Ge 0.37006204891063 0.25173828644635 0.79431233977658 72.640 > 73 74 Ge 0.87006204891063 0.25173828644635 0.79431233977658 72.640 > 73 75 Ge 0.12993795108937 0.25173828644635 0.70568766022342 72.640 > 75 76 Ge 0.62993795108937 0.25173828644635 0.70568766022342 72.640 > 75 77 Ge 0.12993795108937 0.74826171355365 0.20568766022342 72.640 > 77 78 Ge 0.62993795108937 0.74826171355365 0.20568766022342 72.640 > 77 79 Ge 0.37006204891063 0.74826171355365 0.29431233977658 72.640 > 79 80 Ge 0.87006204891063 0.74826171355365 0.29431233977658 72.640 > 79 81 Ge 0.12006204891063 0.75173828644635 0.79431233977658 72.640 > 73 82 Ge 0.62006204891063 0.75173828644635 0.79431233977658 72.640 > 73 83 Ge 0.37993795108937 0.75173828644635 0.70568766022342 72.640 > 75 84 Ge 0.87993795108937 0.75173828644635 0.70568766022342 72.640 > 75 85 Ge 0.37993795108937 0.24826171355365 0.20568766022342 72.640 > 77 86 Ge 0.87993795108937 0.24826171355365 0.20568766022342 72.640 > 77 87 Ge 0.12006204891063 0.24826171355365 0.29431233977658 72.640 > 79 88 Ge 0.62006204891063 0.24826171355365 0.29431233977658 72.640 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1263763 0.0000000 -0.0264578 0.0000000 3.1618630 0.0000000 -0.0264596 0.0000000 3.2132461 -------------------------- Born effective charges -------------------------- 1 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 2 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 3 O -1.5265920 -0.2737750 0.5392120 -0.2163024 -1.7944611 -0.1845743 0.3675474 -0.1433427 -2.2935737 4 O -1.5265920 0.2737750 0.5392120 0.2163024 -1.7944611 0.1845743 0.3675474 0.1433427 -2.2935737 5 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 6 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 7 O -1.9211633 -0.1696098 -0.2923484 -0.2497901 -1.9073913 -0.5356494 -0.2140868 -0.5493788 -1.8195785 8 O -1.9211633 0.1696098 -0.2923484 0.2497901 -1.9073913 0.5356494 -0.2140868 0.5493788 -1.8195785 9 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 10 O -2.7830022 0.0000000 -0.4657423 0.0000000 -1.1639503 0.0000000 -0.4248326 0.0000000 -1.2050129 11 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 12 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 13 O -1.3836671 0.2122649 0.1917291 0.3852268 -2.1324445 -0.4367816 0.2936269 -0.4720063 -1.6332504 14 O -1.3836671 -0.2122649 0.1917291 -0.3852268 -2.1324445 0.4367816 0.2936269 0.4720063 -1.6332504 15 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 16 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 17 Al 2.6810467 0.2482325 -0.2130588 -0.0658229 3.1006213 -0.0786401 -0.2329771 -0.0041078 3.0085908 18 Al 2.6810467 -0.2482325 -0.2130588 0.0658229 3.1006213 0.0786401 -0.2329771 0.0041078 3.0085908 19 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 20 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 21 Ge 3.5418768 0.0770814 0.0073372 0.3313422 3.3156508 -0.0223344 -0.0016941 -0.0088396 3.3403183 22 Ge 3.5418768 -0.0770814 0.0073372 -0.3313422 3.3156508 0.0223344 -0.0016941 0.0088396 3.3403183 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) 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 ... [ 10 10 5 ] 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: 0.66, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 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 2.940 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.961 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 15.223 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.495 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 16.232 ( 0.000 0.000 0.000) 0.000 16.627 ( 0.000 0.000 0.000) 0.000 16.893 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 18.514 ( 0.000 0.000 0.000) 0.000 18.753 ( 0.000 0.000 0.000) 0.000 18.807 ( 0.000 0.000 0.000) 0.000 19.390 ( 0.000 0.000 0.000) 0.000 21.081 ( 0.000 0.000 0.000) 0.000 21.186 ( 0.000 0.000 0.000) 0.000 21.542 ( 0.000 0.000 0.000) 0.000 23.787 ( 0.000 0.000 0.000) 0.000 24.457 ( 0.000 0.000 0.000) 0.000 24.494 ( 0.000 0.000 0.000) 0.000 25.283 ( 0.000 0.000 0.000) 0.000 25.462 ( 0.000 0.000 0.000) 0.000 26.165 ( 0.000 0.000 0.000) 0.000 26.868 ( 0.000 0.000 0.000) 0.000 27.797 ( 0.000 0.000 0.000) 0.000 27.857 ( 0.000 0.000 0.000) 0.000 28.525 ( 0.000 0.000 0.000) 0.000 28.560 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 20.728 -21.956 8.553) 31.382 0.692 ( 28.859 -20.030 3.492) 35.302 1.285 ( 33.020 -51.631 19.749) 64.390 2.843 ( 2.887 5.713 -2.214) 6.773 3.197 ( -0.429 -20.571 -6.750) 21.654 3.388 ( 6.318 2.375 -3.597) 7.648 3.617 ( 0.387 -4.404 -8.881) 9.920 3.719 ( -5.320 -0.105 1.973) 5.675 3.873 ( 6.799 -17.964 2.355) 19.351 4.541 ( -2.643 0.141 5.347) 5.966 4.745 ( -3.917 -4.053 3.814) 6.805 5.101 ( 19.392 -3.391 -4.987) 20.308 6.074 ( -2.479 0.080 -1.546) 2.923 6.267 ( -7.404 9.473 6.954) 13.889 6.367 ( -10.174 -4.449 2.607) 11.406 6.581 ( -12.856 3.309 20.834) 24.704 6.732 ( -3.092 -5.202 0.273) 6.057 7.269 ( 1.492 11.247 -4.870) 12.347 7.502 ( -8.108 2.633 -3.280) 9.134 7.698 ( -16.027 -14.916 -8.305) 23.416 8.045 ( -1.855 -4.017 7.155) 8.412 8.550 ( -4.763 10.484 -4.028) 12.200 8.784 ( 7.763 11.029 -5.774) 14.671 8.969 ( -14.091 -2.406 14.496) 20.359 9.307 ( 7.977 5.722 1.061) 9.875 9.408 ( -0.387 -5.411 1.461) 5.618 9.620 ( 13.988 16.232 -1.457) 21.477 9.952 ( 20.456 -3.057 -0.832) 20.700 10.223 ( 7.114 5.604 3.409) 9.676 10.419 ( -6.432 11.975 -9.917) 16.826 10.671 ( 3.092 1.935 9.006) 9.717 11.289 ( -1.672 -23.609 4.946) 24.179 11.386 ( -0.969 -0.706 -2.486) 2.760 11.949 ( -6.945 -0.941 -1.623) 7.194 12.919 ( 6.981 -4.684 3.255) 9.015 13.566 ( -3.097 1.489 -5.054) 6.111 14.158 ( 6.940 5.050 4.460) 9.673 14.266 ( -2.167 -0.720 3.099) 3.849 14.579 ( -2.272 19.690 10.636) 22.494 14.883 ( -12.853 11.117 -2.726) 17.211 15.264 ( 15.083 14.245 -1.589) 20.807 15.479 ( -5.109 -1.443 -0.256) 5.315 15.560 ( -8.536 -19.385 -1.693) 21.249 15.885 ( 10.875 -10.569 -1.928) 15.287 16.505 ( -11.277 -13.567 5.004) 18.338 16.904 ( -1.534 0.389 0.250) 1.602 16.937 ( 0.823 -2.520 -0.268) 2.665 18.018 ( -2.926 -40.926 -67.520) 79.009 18.436 ( -8.935 0.621 -0.319) 8.962 18.718 ( -1.406 0.890 -2.641) 3.122 18.868 ( 5.156 -1.394 -0.258) 5.347 19.375 ( 1.348 4.392 0.937) 4.689 21.150 ( 1.827 0.832 8.976) 9.198 21.310 ( -11.486 -9.762 8.168) 17.145 23.127 ( 29.561 38.692 13.873) 50.630 23.908 ( -27.593 6.559 -16.169) 32.647 24.508 ( 2.666 0.120 1.760) 3.197 24.744 ( 6.958 -8.335 0.659) 10.877 25.317 ( -2.299 -5.850 1.637) 6.495 25.468 ( -0.504 -2.170 0.618) 2.312 26.698 ( 16.865 37.523 46.908) 62.393 26.853 ( 0.399 1.902 -1.934) 2.741 27.814 ( 0.571 -1.773 0.543) 1.941 27.945 ( 16.092 9.907 -15.580) 24.491 28.532 ( 0.140 -0.576 1.076) 1.228 29.523 ( -34.679 -46.685 -27.965) 64.530 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 22.719 -21.761 7.362) 32.309 1.353 ( 27.315 -18.816 4.144) 33.426 2.394 ( 24.499 -38.744 20.750) 50.317 2.862 ( 4.563 -1.946 -4.395) 6.627 3.257 ( -6.138 -6.625 -16.273) 18.611 3.520 ( 2.715 -9.058 -2.293) 9.730 3.655 ( 4.177 -3.486 -6.974) 8.845 3.741 ( 1.224 -11.138 0.260) 11.208 4.220 ( -0.384 -19.279 4.843) 19.882 4.560 ( 2.629 -5.203 4.584) 7.416 4.833 ( 4.036 -4.481 0.819) 6.086 5.395 ( 12.827 -3.654 -3.192) 13.714 5.931 ( -7.950 10.032 -9.739) 16.084 6.083 ( -8.287 1.924 10.461) 13.484 6.264 ( -10.709 -3.721 9.447) 14.757 6.492 ( -5.192 4.011 11.986) 13.665 6.735 ( -2.893 0.912 -4.834) 5.707 7.144 ( 5.222 9.062 -7.874) 13.092 7.267 ( -10.513 1.899 -1.584) 10.800 7.677 ( -6.163 -9.452 -11.809) 16.333 8.038 ( -3.984 3.530 5.091) 7.365 8.389 ( -3.063 3.200 4.042) 5.997 8.659 ( 7.532 17.688 -6.304) 20.232 8.922 ( -10.124 -1.576 13.373) 16.847 9.335 ( 5.731 10.521 5.240) 13.077 9.391 ( -8.050 -2.663 0.036) 8.479 9.613 ( 16.728 18.473 -5.580) 25.538 9.970 ( -1.783 15.397 -0.482) 15.508 10.246 ( 4.712 -7.502 3.573) 9.553 10.462 ( 7.953 -1.636 0.727) 8.152 10.873 ( 13.437 -12.788 1.937) 18.650 11.295 ( -2.822 5.781 -2.956) 7.080 11.601 ( -2.713 -23.875 -0.561) 24.035 11.840 ( -8.114 -1.866 -1.807) 8.519 13.120 ( 8.506 -2.491 6.500) 10.991 13.535 ( 3.271 -2.555 -3.703) 5.563 14.057 ( -7.466 13.600 -7.355) 17.170 14.091 ( -4.460 24.098 9.131) 26.153 14.472 ( 1.157 -0.239 4.101) 4.268 14.650 ( -7.452 0.491 1.970) 7.724 15.284 ( 15.772 14.527 -1.631) 21.505 15.388 ( -4.405 1.361 -2.265) 5.137 15.755 ( -7.440 -26.861 -1.939) 27.940 16.083 ( 2.047 -5.077 1.364) 5.641 16.560 ( -2.378 -5.680 2.685) 6.718 16.863 ( 0.377 2.781 -0.545) 2.859 17.010 ( -0.107 -6.962 -0.391) 6.974 18.075 ( -11.730 -5.435 -8.398) 15.416 18.370 ( 1.803 -12.881 -16.977) 21.387 18.687 ( -1.216 -3.537 -5.835) 6.931 18.961 ( 4.902 -1.464 0.765) 5.173 19.329 ( 2.070 7.563 2.928) 8.370 21.230 ( 3.371 -1.723 4.018) 5.520 21.326 ( -6.005 -5.807 7.194) 11.024 23.044 ( -10.838 8.908 4.060) 14.605 23.396 ( -1.404 20.133 -15.632) 25.528 24.576 ( 4.408 -0.833 3.644) 5.779 24.863 ( 4.874 1.083 -0.195) 4.997 25.330 ( -4.562 -1.998 0.833) 5.049 25.539 ( 0.369 -6.912 2.140) 7.245 26.686 ( 6.268 15.990 18.098) 24.950 26.818 ( 0.941 3.647 -0.544) 3.806 27.860 ( 0.596 -3.128 0.928) 3.317 27.961 ( 8.064 4.953 -6.160) 11.291 28.562 ( 1.186 -1.522 2.436) 3.108 29.478 ( -16.448 -17.976 -12.448) 27.361 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 23.521 -20.717 3.589) 31.549 1.993 ( 25.930 -18.007 9.007) 32.829 2.853 ( -2.415 -0.681 -5.345) 5.905 3.117 ( 4.507 -18.034 3.584) 18.931 3.182 ( 2.174 -3.328 -3.067) 5.020 3.661 ( 5.404 -5.687 4.036) 8.823 3.731 ( 1.088 -9.159 -13.990) 16.757 3.981 ( 5.338 -17.330 -1.374) 18.185 4.311 ( -7.394 -6.393 5.468) 11.200 4.796 ( -6.414 -0.352 6.277) 8.982 4.933 ( 2.997 -13.076 3.457) 13.854 5.398 ( 3.606 5.298 -9.327) 11.316 5.636 ( -6.949 2.961 -6.437) 9.925 6.108 ( -8.710 -6.893 14.098) 17.948 6.240 ( -3.246 8.417 -2.189) 9.283 6.460 ( 0.366 -0.123 6.955) 6.966 6.685 ( 2.297 -1.165 8.156) 8.553 6.935 ( -0.562 9.361 -13.321) 16.291 7.416 ( 8.910 -13.930 -3.319) 16.866 7.611 ( -3.026 -5.900 -10.457) 12.382 7.957 ( -4.886 4.874 7.889) 10.482 8.389 ( -0.987 -1.430 3.539) 3.942 8.458 ( 7.393 25.785 -7.355) 27.814 8.815 ( -4.703 8.063 9.572) 13.370 9.212 ( -9.908 0.162 -0.516) 9.922 9.372 ( 3.824 6.220 4.069) 8.359 9.514 ( 2.513 6.310 -5.307) 8.620 9.934 ( 8.533 6.484 2.224) 10.945 10.311 ( -0.858 2.584 4.680) 5.414 10.557 ( -0.525 -2.791 4.759) 5.542 11.019 ( -5.171 13.198 -2.863) 14.461 11.426 ( 21.965 -19.440 -2.531) 29.441 11.728 ( -4.304 -4.296 -2.501) 6.575 11.897 ( -3.126 -21.779 -2.751) 22.174 13.211 ( 1.131 7.425 9.343) 11.987 13.597 ( -3.938 17.289 -6.349) 18.835 13.695 ( 3.669 -3.467 0.758) 5.105 13.867 ( 1.163 16.089 -2.935) 16.396 14.291 ( -20.798 1.914 5.803) 21.678 14.779 ( 4.818 -8.861 4.928) 11.226 15.315 ( 12.776 10.519 -0.765) 16.567 15.338 ( 3.503 0.509 -6.085) 7.040 15.986 ( -2.841 -17.225 0.044) 17.457 16.101 ( -5.616 -4.592 1.413) 7.391 16.589 ( -0.590 -0.276 1.344) 1.494 16.846 ( 0.270 0.970 -2.131) 2.357 17.098 ( 0.848 -5.890 0.282) 5.957 17.816 ( -16.501 7.312 2.334) 18.199 18.515 ( 1.422 -10.337 -8.417) 13.406 18.756 ( 4.584 -10.603 -10.411) 15.550 19.028 ( 2.146 0.522 0.584) 2.285 19.291 ( 3.772 6.337 5.059) 8.943 21.304 ( 2.108 -2.197 -1.762) 3.518 21.384 ( -2.241 -5.118 10.934) 12.279 22.601 ( -24.687 10.339 -6.974) 27.658 23.258 ( 10.679 10.779 -6.863) 16.653 24.689 ( 5.824 -1.994 4.539) 7.648 24.887 ( 3.255 2.783 -0.472) 4.308 25.268 ( -6.468 -0.519 0.062) 6.490 25.635 ( 0.325 -4.773 1.671) 5.068 26.652 ( 1.960 7.540 5.956) 9.807 26.784 ( 1.023 4.171 1.828) 4.667 27.909 ( -0.125 -2.870 0.879) 3.004 27.976 ( 5.095 3.217 -3.179) 6.813 28.632 ( 2.689 -2.538 3.691) 5.224 29.400 ( -10.222 -7.069 -7.594) 14.565 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 18.470 -13.656 1.070) 22.996 2.591 ( 14.883 -13.993 8.634) 22.178 2.790 ( 2.337 -7.968 -0.084) 8.304 3.143 ( -2.516 -0.750 -3.814) 4.630 3.362 ( 9.383 0.361 -2.549) 9.730 3.660 ( -8.750 0.220 -9.294) 12.767 3.824 ( 5.174 -3.856 -4.202) 7.701 4.237 ( -3.449 -10.931 1.808) 11.604 4.357 ( -16.889 2.546 6.048) 18.119 4.517 ( -0.756 -4.562 7.197) 8.555 5.075 ( -1.826 -3.754 4.318) 6.006 5.261 ( 0.550 13.354 -12.521) 18.314 5.777 ( 1.572 -5.015 -0.868) 5.327 6.105 ( 4.007 -11.500 -0.788) 12.204 6.155 ( -9.691 -8.859 15.917) 20.634 6.466 ( 4.213 5.359 -1.646) 7.013 6.721 ( -3.183 -5.063 -4.656) 7.579 6.940 ( 12.804 7.422 0.407) 14.805 7.367 ( -7.430 1.382 -10.669) 13.074 7.700 ( -8.074 21.931 6.619) 24.289 8.048 ( 15.932 -17.963 -4.074) 24.353 8.224 ( 2.477 0.971 2.519) 3.664 8.433 ( -0.061 -1.998 1.950) 2.793 8.773 ( 6.918 7.096 2.633) 10.254 9.054 ( -10.891 1.952 -3.063) 11.480 9.389 ( 0.640 -4.518 -0.755) 4.625 9.492 ( 2.969 2.976 0.974) 4.315 9.894 ( -1.701 14.584 3.796) 15.166 10.266 ( 1.231 4.231 2.097) 4.881 10.554 ( -6.120 -0.874 0.842) 6.239 10.774 ( -2.445 8.746 0.419) 9.091 11.710 ( -1.591 -1.881 -1.761) 3.029 11.984 ( 15.668 -20.109 1.207) 25.521 12.129 ( 4.100 -16.641 -5.921) 18.132 13.015 ( -9.281 9.971 1.207) 13.675 13.434 ( 0.470 24.067 3.476) 24.321 13.537 ( 4.734 6.245 -2.901) 8.356 13.901 ( -6.610 -6.096 1.875) 9.185 14.044 ( -8.460 -0.595 0.402) 8.490 14.931 ( -1.254 -5.721 4.586) 7.439 15.356 ( 7.436 5.188 0.319) 9.073 15.443 ( 11.664 -6.280 -8.419) 15.696 15.921 ( -6.601 10.894 8.199) 15.148 16.279 ( -0.611 -23.077 -6.112) 23.881 16.582 ( 0.612 1.483 0.236) 1.622 16.772 ( -4.080 6.656 -0.112) 7.808 17.193 ( 3.504 -3.884 0.826) 5.296 17.520 ( -13.033 6.599 1.748) 14.712 18.592 ( -0.429 -6.410 -2.953) 7.071 18.906 ( 4.275 -7.082 -6.571) 10.565 18.999 ( -0.383 4.773 0.431) 4.808 19.340 ( 4.330 0.345 4.110) 5.980 21.338 ( 0.815 -1.550 -1.395) 2.239 21.493 ( 0.549 -4.996 8.362) 9.756 22.144 ( -15.034 9.683 -7.271) 19.304 23.250 ( 4.942 3.972 -3.569) 7.276 24.821 ( 3.367 -3.662 3.488) 6.076 24.897 ( 5.712 3.911 0.147) 6.924 25.171 ( -7.764 -0.383 -0.817) 7.816 25.684 ( 0.087 -1.790 0.637) 1.902 26.618 ( 0.470 3.010 1.459) 3.378 26.758 ( 0.433 2.685 1.517) 3.114 27.934 ( -0.243 -1.055 0.393) 1.152 27.988 ( 2.440 1.227 -1.422) 3.079 28.727 ( 2.880 -2.372 3.423) 5.063 29.308 ( -5.915 -1.837 -4.638) 7.737 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.000 -0.000 0.000) 0.000 2.895 ( -0.000 0.000 -0.000) 0.000 2.950 ( 0.000 -0.000 0.000) 0.000 3.216 ( -0.000 0.000 -0.000) 0.000 3.372 ( -0.000 -0.000 0.000) 0.000 3.469 ( 0.000 -0.000 0.000) 0.000 3.942 ( -0.000 -0.000 0.000) 0.000 4.013 ( 0.000 -0.000 0.000) 0.000 4.273 ( 0.000 -0.000 0.000) 0.000 4.768 ( 0.000 -0.000 0.000) 0.000 5.057 ( 0.000 0.000 -0.000) 0.000 5.103 ( -0.000 -0.000 0.000) 0.000 5.719 ( 0.000 -0.000 -0.000) 0.000 6.223 ( -0.000 -0.000 0.000) 0.000 6.250 ( 0.000 0.000 -0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.782 ( -0.000 0.000 -0.000) 0.000 6.800 ( 0.000 -0.000 0.000) 0.000 7.254 ( 0.000 -0.000 0.000) 0.000 7.439 ( 0.000 -0.000 -0.000) 0.000 8.110 ( -0.000 -0.000 0.000) 0.000 8.451 ( 0.000 -0.000 0.000) 0.000 8.572 ( -0.000 0.000 0.000) 0.000 8.801 ( -0.000 -0.000 -0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 9.483 ( -0.000 0.000 0.000) 0.000 9.527 ( 0.000 -0.000 -0.000) 0.000 9.646 ( -0.000 0.000 0.000) 0.000 10.270 ( -0.000 -0.000 0.000) 0.000 10.493 ( 0.000 -0.000 0.000) 0.000 10.723 ( 0.000 -0.000 0.000) 0.000 11.707 ( 0.000 -0.000 0.000) 0.000 12.211 ( 0.000 -0.000 0.000) 0.000 12.336 ( 0.000 -0.000 0.000) 0.000 12.916 ( -0.000 -0.000 0.000) 0.000 13.141 ( 0.000 -0.000 0.000) 0.000 13.616 ( 0.000 -0.000 0.000) 0.000 13.787 ( -0.000 -0.000 0.000) 0.000 14.059 ( 0.000 -0.000 0.000) 0.000 14.963 ( 0.000 -0.000 0.000) 0.000 15.378 ( -0.000 -0.000 0.000) 0.000 15.656 ( 0.000 -0.000 -0.000) 0.000 15.723 ( -0.000 0.000 0.000) 0.000 16.498 ( 0.000 -0.000 -0.000) 0.000 16.581 ( 0.000 -0.000 -0.000) 0.000 16.602 ( -0.000 -0.000 0.000) 0.000 17.299 ( 0.000 -0.000 0.000) 0.000 17.335 ( -0.000 0.000 0.000) 0.000 18.629 ( 0.000 -0.000 -0.000) 0.000 18.955 ( 0.000 -0.000 0.000) 0.000 18.965 ( 0.000 -0.000 0.000) 0.000 19.388 ( 0.000 -0.000 0.000) 0.000 21.351 ( 0.000 -0.000 0.000) 0.000 21.575 ( 0.000 -0.000 0.000) 0.000 21.928 ( 0.000 -0.000 0.000) 0.000 23.249 ( 0.000 -0.000 0.000) 0.000 24.864 ( 0.000 -0.000 0.000) 0.000 24.955 ( 0.000 -0.000 0.000) 0.000 25.089 ( 0.000 -0.000 0.000) 0.000 25.697 ( 0.000 -0.000 0.000) 0.000 26.606 ( 0.000 -0.000 -0.000) 0.000 26.747 ( 0.000 -0.000 0.000) 0.000 27.940 ( -0.000 -0.000 0.000) 0.000 27.994 ( 0.000 -0.000 0.000) 0.000 28.778 ( 0.000 -0.000 0.000) 0.000 29.260 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 36.236 0.000 -2.210) 36.303 1.126 ( 34.089 0.000 14.305) 36.969 1.643 ( 44.612 0.000 30.857) 54.244 2.965 ( 6.297 0.000 -5.904) 8.632 2.969 ( -2.150 -0.000 -9.870) 10.101 3.492 ( 7.070 0.000 -5.045) 8.685 3.494 ( 0.905 0.000 -18.484) 18.506 3.709 ( -0.139 -0.000 6.716) 6.717 3.887 ( 7.308 0.000 5.017) 8.864 4.566 ( 0.944 0.000 7.404) 7.464 4.739 ( 6.040 0.000 0.064) 6.040 5.325 ( 18.452 0.000 -3.687) 18.817 6.077 ( -3.351 -0.000 5.236) 6.217 6.123 ( -18.252 -0.000 11.597) 21.625 6.231 ( -18.345 -0.000 7.087) 19.667 6.480 ( -1.035 -0.000 -5.173) 5.275 6.675 ( -6.005 -0.000 10.871) 12.419 7.371 ( -14.499 -0.000 1.432) 14.570 7.389 ( -1.314 -0.000 8.170) 8.275 7.430 ( 3.291 0.000 -27.645) 27.840 8.059 ( -0.737 -0.000 7.473) 7.509 8.500 ( -10.964 -0.000 6.889) 12.948 8.733 ( -14.480 -0.000 10.063) 17.633 8.916 ( 6.846 0.000 -9.464) 11.681 9.316 ( -3.566 -0.000 -3.414) 4.937 9.449 ( 5.641 0.000 8.161) 9.921 10.023 ( 20.429 0.000 -1.450) 20.480 10.239 ( 5.812 0.000 3.475) 6.772 10.252 ( 20.944 0.000 -12.860) 24.577 10.531 ( -2.248 -0.000 -2.919) 3.684 10.687 ( -4.814 -0.000 -0.954) 4.908 11.048 ( -7.799 -0.000 13.704) 15.768 11.366 ( 0.442 0.000 -3.267) 3.297 11.836 ( -6.939 -0.000 -3.657) 7.844 13.074 ( 13.471 0.000 7.508) 15.422 13.522 ( 0.219 0.000 -4.388) 4.394 14.176 ( -6.765 -0.000 -2.507) 7.214 14.367 ( 9.141 0.000 6.726) 11.349 14.687 ( -9.920 -0.000 14.172) 17.299 14.812 ( -11.211 -0.000 -2.370) 11.459 15.114 ( -19.377 -0.000 -4.646) 19.927 15.347 ( -8.376 -0.000 1.507) 8.510 15.603 ( 13.479 0.000 -2.501) 13.709 16.092 ( 15.509 0.000 -1.205) 15.555 16.410 ( 7.714 0.000 9.331) 12.107 16.866 ( -0.881 -0.000 -1.460) 1.706 16.959 ( 2.454 0.000 -0.343) 2.478 17.626 ( 22.192 0.000 -49.202) 53.975 18.309 ( -11.300 -0.000 3.936) 11.966 18.643 ( -5.918 -0.000 -4.136) 7.220 18.939 ( 5.147 0.000 0.307) 5.156 19.429 ( 1.265 0.000 1.945) 2.320 21.227 ( -2.410 -0.000 14.447) 14.646 21.233 ( 3.082 0.000 0.222) 3.090 23.186 ( -27.966 -0.000 -5.162) 28.439 23.779 ( -5.573 -0.000 -14.277) 15.327 24.576 ( 1.846 0.000 7.196) 7.429 24.858 ( 15.210 0.000 4.542) 15.874 25.256 ( -2.601 -0.000 3.425) 4.301 25.422 ( -2.075 -0.000 -1.669) 2.663 26.820 ( -0.757 -0.000 -7.240) 7.279 27.186 ( -15.834 -0.000 43.539) 46.329 27.820 ( 0.792 0.000 2.115) 2.259 28.414 ( 15.794 0.000 -42.882) 45.698 28.421 ( -0.509 -0.000 -4.112) 4.143 28.740 ( 3.367 0.000 10.260) 10.799 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 32.183 -5.502 2.652) 32.757 1.688 ( 32.379 -4.849 12.421) 35.017 2.504 ( 29.299 -19.703 23.730) 42.541 2.840 ( -4.648 -0.590 -12.773) 13.605 3.101 ( 11.241 -3.166 -5.447) 12.886 3.445 ( 5.249 -3.858 -19.074) 20.156 3.620 ( 5.760 -6.229 -2.132) 8.748 3.759 ( 4.834 0.828 2.612) 5.557 4.047 ( -0.526 -10.477 5.058) 11.646 4.641 ( 6.083 0.531 7.932) 10.010 4.890 ( 10.869 -1.460 -2.183) 11.182 5.484 ( 2.978 3.155 -1.653) 4.643 5.899 ( -13.439 8.372 0.295) 15.836 5.991 ( -11.411 -2.576 10.108) 15.460 6.112 ( -1.217 -6.578 4.301) 7.953 6.455 ( -6.155 -2.024 3.019) 7.148 6.695 ( 3.319 -4.270 -4.359) 6.946 7.099 ( -16.867 5.321 -2.777) 17.904 7.290 ( 3.886 5.724 -6.192) 9.285 7.479 ( -1.885 -6.784 -4.493) 8.352 8.059 ( -2.803 2.198 7.091) 7.935 8.376 ( -7.652 2.896 8.744) 11.975 8.710 ( -7.423 -8.962 10.281) 15.528 8.903 ( 3.275 4.575 -11.101) 12.446 9.216 ( -6.638 1.845 -3.884) 7.909 9.571 ( 6.740 2.577 9.191) 11.685 10.065 ( -2.713 32.390 -4.603) 32.828 10.185 ( 11.263 8.770 -0.331) 14.279 10.325 ( 9.056 4.116 0.387) 9.955 10.548 ( 3.893 0.284 2.624) 4.703 10.860 ( 13.496 -19.729 -3.920) 24.223 11.201 ( -5.443 -25.621 0.644) 26.201 11.344 ( 1.544 5.243 -1.052) 5.566 11.703 ( -7.853 -0.297 -4.415) 9.013 13.318 ( 13.196 1.326 9.765) 16.470 13.542 ( 4.889 -1.894 -3.849) 6.504 14.038 ( -8.519 3.389 -2.410) 9.479 14.234 ( -17.983 19.167 3.019) 26.456 14.565 ( -10.166 12.988 7.010) 17.921 14.605 ( 5.624 -1.238 0.012) 5.758 15.101 ( -17.711 -22.347 -1.691) 28.564 15.286 ( -4.490 -10.322 -0.624) 11.274 15.726 ( 13.739 5.729 -3.738) 15.348 16.233 ( 12.504 8.127 2.983) 15.209 16.571 ( 4.866 -0.255 8.133) 9.481 16.864 ( -0.483 -1.229 -0.457) 1.397 17.010 ( 6.575 0.402 -1.873) 6.848 17.807 ( 7.262 -13.202 -22.823) 27.348 18.194 ( -5.374 -4.004 -0.874) 6.758 18.551 ( -6.015 -4.454 -5.779) 9.456 19.004 ( 2.488 -0.961 1.318) 2.975 19.432 ( 0.681 3.148 2.086) 3.837 21.285 ( 3.350 0.059 1.434) 3.644 21.291 ( -0.228 -1.854 12.104) 12.247 22.759 ( -26.243 2.557 -5.376) 26.910 23.543 ( -3.880 8.369 -16.600) 18.991 24.644 ( 1.933 -1.033 7.069) 7.401 25.012 ( 8.652 6.150 3.535) 11.188 25.254 ( -3.915 -0.801 2.306) 4.614 25.442 ( -0.267 -7.965 0.223) 7.972 26.753 ( -1.327 1.254 -8.643) 8.834 27.097 ( -4.921 13.331 23.501) 27.463 27.852 ( 0.939 -1.020 2.209) 2.608 28.185 ( 10.047 14.855 -10.945) 21.010 28.548 ( 1.996 -5.359 -5.059) 7.635 29.003 ( -3.341 -20.632 -0.266) 20.902 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 27.004 -11.090 4.280) 29.504 2.271 ( 27.316 -9.403 11.925) 31.254 2.721 ( -2.211 -0.695 -10.115) 10.377 3.027 ( 10.167 -9.538 0.530) 13.950 3.322 ( 13.322 -1.012 0.125) 13.360 3.556 ( 6.750 -8.335 -6.059) 12.318 3.707 ( -0.121 -1.225 -1.132) 1.672 3.896 ( 6.772 -9.563 -2.693) 12.023 4.182 ( 1.197 -8.215 3.610) 9.052 4.748 ( -8.815 2.217 10.485) 13.876 4.976 ( 10.452 2.325 2.521) 11.000 5.407 ( -0.287 -1.043 -1.248) 1.652 5.644 ( -0.417 11.297 -7.719) 13.688 5.936 ( -11.440 -5.714 9.829) 16.129 6.273 ( 5.151 -2.070 -8.064) 9.791 6.417 ( -4.949 -4.055 4.196) 7.651 6.662 ( -13.594 6.572 6.892) 16.598 7.002 ( 13.893 -7.911 -13.625) 21.005 7.363 ( 6.379 -11.112 2.238) 13.007 7.472 ( -2.996 -2.750 -4.807) 6.297 8.009 ( -3.729 5.034 9.572) 11.440 8.323 ( -5.750 -2.248 7.076) 9.391 8.755 ( -5.393 9.718 -4.853) 12.128 8.801 ( -2.068 -4.364 4.375) 6.516 9.036 ( -5.316 7.871 -4.890) 10.682 9.529 ( -3.343 16.557 -4.464) 17.471 9.723 ( 4.770 9.919 8.626) 13.984 10.204 ( 7.845 10.669 -0.704) 13.262 10.400 ( 8.491 6.627 0.710) 10.795 10.512 ( -6.987 0.033 4.541) 8.333 11.146 ( 0.017 14.031 -2.057) 14.181 11.392 ( 7.015 -24.477 -1.356) 25.498 11.519 ( 6.096 -24.792 -6.579) 26.365 11.647 ( 0.676 -4.276 -3.126) 5.340 13.365 ( -8.114 13.225 9.679) 18.287 13.619 ( 1.596 -0.933 -6.863) 7.107 13.766 ( -1.447 7.745 -2.339) 8.219 13.995 ( -1.751 -0.572 -0.302) 1.867 14.215 ( -11.079 22.505 7.541) 26.193 14.719 ( -1.236 -8.730 3.953) 9.663 15.074 ( -18.932 -15.965 2.852) 24.929 15.449 ( 3.847 -13.203 -8.668) 16.256 15.842 ( 10.712 -1.668 -4.188) 11.621 16.259 ( 9.613 14.697 6.103) 18.592 16.646 ( 3.053 2.275 5.171) 6.421 16.868 ( 1.649 1.303 -0.930) 2.298 17.112 ( 8.375 -1.137 -2.055) 8.699 17.722 ( -10.910 7.184 0.866) 13.092 18.321 ( 1.389 -13.917 -8.602) 16.419 18.591 ( 1.525 -14.357 -8.232) 16.619 19.039 ( -0.784 -0.934 1.523) 1.951 19.401 ( 0.017 3.544 2.110) 4.125 21.339 ( 3.526 0.880 4.099) 5.478 21.388 ( 0.885 -2.709 10.904) 11.270 22.347 ( -20.307 5.329 -6.438) 21.959 23.334 ( -3.318 2.785 -15.969) 16.546 24.725 ( 0.556 -3.142 5.926) 6.731 25.043 ( 6.922 7.488 4.130) 11.002 25.183 ( -5.550 0.919 -0.173) 5.629 25.560 ( 0.121 -7.460 1.038) 7.532 26.672 ( -1.224 1.362 -7.895) 8.105 26.987 ( -0.684 12.314 12.859) 17.818 27.888 ( 0.419 -1.267 1.614) 2.094 28.126 ( 7.294 8.606 -4.131) 12.014 28.626 ( 2.184 -5.248 -2.157) 6.080 29.141 ( -4.598 -10.958 -0.209) 11.885 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 6.717 -9.164 -2.073) 11.550 2.596 ( 18.044 -4.858 2.768) 18.890 2.908 ( 18.820 -6.715 10.026) 22.356 3.195 ( 10.738 1.488 -2.918) 11.227 3.451 ( 5.541 -2.240 -6.409) 8.763 3.563 ( -2.354 6.255 -7.579) 10.105 3.751 ( -0.965 -7.690 2.241) 8.067 4.018 ( -10.238 -7.248 1.988) 12.700 4.277 ( -3.987 0.504 4.621) 6.124 4.638 ( 13.986 3.726 3.600) 14.915 5.069 ( -0.563 3.782 8.186) 9.035 5.457 ( 5.170 16.377 -10.042) 19.894 5.633 ( 6.159 -19.983 -1.084) 20.939 5.957 ( -6.589 -10.467 6.035) 13.762 6.153 ( -2.653 11.190 3.027) 11.892 6.489 ( -7.269 -5.904 -9.762) 13.528 6.521 ( 4.712 -9.378 0.359) 10.502 7.147 ( 3.952 -0.242 -4.955) 6.343 7.341 ( -2.717 10.835 1.155) 11.230 7.861 ( 7.309 -4.018 2.791) 8.795 7.955 ( 6.579 -15.396 6.038) 17.799 8.326 ( -7.011 -5.816 5.163) 10.471 8.382 ( -7.554 23.441 -0.787) 24.640 8.711 ( -13.744 -3.460 -2.952) 14.477 9.009 ( 6.151 1.153 -1.682) 6.481 9.360 ( 0.175 0.966 -2.600) 2.779 9.719 ( 5.607 11.642 4.242) 13.600 10.064 ( -5.994 14.444 1.044) 15.673 10.353 ( -1.953 7.349 1.810) 7.816 10.486 ( 2.608 0.320 -1.414) 2.984 10.905 ( -1.218 14.929 0.013) 14.979 11.645 ( 0.099 -5.177 -0.113) 5.179 11.762 ( -1.945 -25.954 -2.037) 26.106 12.050 ( 21.622 -20.169 -5.822) 30.137 12.972 ( -17.503 12.159 -0.483) 21.318 13.577 ( -11.749 0.324 -2.091) 11.938 13.677 ( -3.797 16.564 1.964) 17.107 13.843 ( 2.847 5.423 3.221) 6.920 14.089 ( 8.971 4.687 0.237) 10.125 14.836 ( -1.909 -8.283 5.781) 10.280 15.033 ( -22.491 -20.211 3.344) 30.422 15.586 ( 9.302 -2.681 -11.939) 15.370 15.985 ( -0.580 -4.793 -1.801) 5.153 16.254 ( 15.955 10.668 2.494) 19.354 16.654 ( 0.975 4.914 6.569) 8.261 16.862 ( 3.827 5.612 -1.036) 6.871 17.239 ( 8.385 -1.833 -1.463) 8.707 17.474 ( -9.026 8.566 3.350) 12.887 18.429 ( -2.257 -11.617 -4.320) 12.598 18.801 ( 4.138 -13.510 -7.168) 15.844 19.014 ( -3.179 1.282 1.093) 3.598 19.371 ( -2.092 0.560 1.306) 2.529 21.398 ( 3.572 2.859 7.192) 8.524 21.505 ( 2.639 -3.622 9.938) 10.902 22.017 ( -10.967 5.023 -7.507) 14.208 23.203 ( -5.374 -3.089 -13.111) 14.503 24.790 ( -1.959 -3.970 4.343) 6.202 25.020 ( -2.766 4.653 0.691) 5.457 25.144 ( 5.053 3.076 2.693) 6.500 25.631 ( -1.248 -4.737 -0.334) 4.910 26.610 ( -0.443 0.617 -6.225) 6.271 26.895 ( 0.382 9.674 6.992) 11.942 27.910 ( -0.399 -0.912 1.191) 1.552 28.102 ( 5.433 6.910 -1.472) 8.913 28.707 ( 0.927 -5.102 -2.809) 5.898 29.193 ( -2.178 -5.301 1.898) 6.038 ======================= Grid point 16 (11/141) ======================= q-point: (-0.50 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 6.262 2.915 -0.704) 6.943 2.930 ( -1.633 7.887 -3.378) 8.733 3.031 ( 8.834 -1.773 4.379) 10.018 3.240 ( -9.515 15.959 -8.780) 20.550 3.321 ( -0.457 0.777 4.656) 4.742 3.642 ( 15.787 -4.637 6.785) 17.798 3.781 ( -11.821 -3.482 6.145) 13.770 4.069 ( 14.655 -9.756 2.751) 17.819 4.337 ( 8.077 -3.078 -3.716) 9.408 4.839 ( 7.797 4.712 -4.458) 10.142 5.031 ( -2.100 1.655 8.904) 9.297 5.290 ( 11.287 13.613 -9.586) 20.115 5.740 ( -2.586 3.479 2.160) 4.844 6.074 ( -5.278 -14.316 7.023) 16.797 6.206 ( 6.715 -9.765 -9.059) 14.916 6.469 ( -4.405 -11.161 -2.800) 12.321 6.782 ( 5.211 -9.115 3.820) 11.173 7.019 ( -7.734 26.447 -3.356) 27.758 7.158 ( 2.356 -4.595 -6.057) 7.960 7.660 ( -0.434 19.347 11.766) 22.648 8.107 ( -5.142 2.609 1.819) 6.046 8.330 ( -8.711 -7.115 4.174) 11.997 8.468 ( -2.881 -17.317 -2.281) 17.702 8.584 ( -3.242 -1.160 -2.054) 4.010 8.994 ( 1.597 4.366 -2.175) 5.133 9.459 ( 1.751 -4.942 -1.930) 5.587 9.585 ( -1.763 7.089 6.051) 9.486 9.795 ( 3.095 15.523 -6.174) 16.990 10.233 ( -6.409 2.291 1.577) 6.986 10.543 ( 7.525 0.661 -1.098) 7.633 10.762 ( -0.022 6.365 -1.489) 6.537 11.699 ( 0.181 -2.581 2.195) 3.393 12.051 ( 0.630 -20.449 -1.975) 20.554 12.377 ( -1.449 6.233 -1.069) 6.488 12.777 ( 2.831 -14.315 -4.615) 15.305 13.212 ( -14.609 14.131 4.265) 20.768 13.498 ( -4.335 4.307 0.719) 6.153 14.000 ( 8.608 -4.029 0.036) 9.504 14.106 ( 8.617 8.120 -2.441) 12.089 14.877 ( -15.397 -11.352 4.738) 19.707 15.036 ( -9.729 -12.957 1.365) 16.261 15.657 ( 2.293 0.334 -5.226) 5.717 15.883 ( 1.518 9.923 -4.026) 10.815 16.467 ( 9.793 -6.171 -1.078) 11.625 16.653 ( 4.591 4.479 7.105) 9.572 16.806 ( 6.009 12.522 0.999) 13.925 17.308 ( -1.631 5.170 2.059) 5.799 17.401 ( 9.577 -2.760 -0.844) 10.003 18.531 ( -1.974 -10.902 -2.261) 11.307 18.911 ( -1.887 -4.173 -5.109) 6.861 18.967 ( -1.011 0.394 3.539) 3.702 19.320 ( -6.534 -1.217 -1.457) 6.804 21.429 ( 2.106 4.877 8.430) 9.964 21.605 ( 0.673 2.505 2.381) 3.521 21.918 ( 4.947 -5.860 -0.856) 7.717 23.113 ( -8.798 -6.673 -8.991) 14.240 24.808 ( -6.026 -3.263 2.806) 7.405 24.911 ( -2.983 3.588 -0.443) 4.688 25.218 ( 7.820 2.960 1.895) 8.574 25.655 ( -1.885 -3.444 -1.128) 4.085 26.577 ( 0.332 0.074 -4.905) 4.917 26.824 ( 0.540 6.520 3.692) 7.513 27.914 ( -1.032 -0.568 1.102) 1.613 28.079 ( 3.796 6.095 -0.296) 7.187 28.730 ( -1.812 -2.302 -5.140) 5.916 29.269 ( 2.410 -4.118 4.985) 6.900 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -10.986 22.393 3.496) 25.186 2.568 ( -12.298 24.399 -9.253) 28.848 2.885 ( 0.007 3.637 1.051) 3.786 3.265 ( -5.618 0.053 4.245) 7.042 3.315 ( 14.550 2.499 -2.005) 14.899 3.695 ( -10.834 -1.354 7.475) 13.232 3.928 ( 13.150 2.475 10.880) 17.246 4.375 ( 11.333 1.058 -9.013) 14.518 4.597 ( 10.677 10.114 -4.623) 15.416 4.620 ( 10.435 -0.196 -4.944) 11.548 5.045 ( -6.814 -2.146 13.092) 14.914 5.366 ( 16.094 5.580 -3.714) 17.434 5.751 ( 2.152 -4.796 -0.004) 5.257 6.219 ( -0.304 -9.389 -3.317) 9.962 6.285 ( 4.980 6.761 -7.930) 11.549 6.368 ( -10.673 19.886 -3.403) 22.824 6.605 ( -8.825 -6.715 0.802) 11.119 6.831 ( -3.207 -0.648 6.045) 6.873 7.484 ( 8.762 -22.856 -7.364) 25.562 7.592 ( 7.700 6.199 13.324) 16.591 8.025 ( -10.066 5.917 7.212) 13.724 8.238 ( -11.706 12.902 -5.004) 18.126 8.325 ( -9.419 -6.047 1.114) 11.248 8.514 ( -8.645 -7.245 1.455) 11.373 9.054 ( 1.314 -4.968 -4.013) 6.519 9.385 ( -5.039 -1.870 4.559) 7.048 9.654 ( 7.816 12.368 -10.895) 18.241 9.766 ( 5.932 -6.981 -0.215) 9.164 10.173 ( -2.439 -4.213 -0.929) 4.956 10.655 ( 6.460 2.557 0.024) 6.947 10.725 ( 2.689 -4.984 -2.262) 6.098 11.711 ( -6.928 0.830 4.954) 8.557 12.025 ( -9.440 16.808 -2.604) 19.453 12.248 ( 2.507 0.247 0.573) 2.584 12.966 ( 0.575 -6.282 -2.052) 6.634 13.149 ( 0.336 -15.378 -1.519) 15.457 13.481 ( 3.194 -4.443 6.916) 8.818 13.950 ( -5.190 6.568 -2.304) 8.682 14.281 ( 18.131 -0.403 -4.444) 18.672 14.810 ( -23.621 -18.781 3.966) 30.436 15.004 ( -5.411 3.657 -5.268) 8.391 15.528 ( -5.319 8.879 8.867) 13.629 15.917 ( 10.097 -4.031 -11.141) 15.567 16.529 ( -1.593 5.437 7.032) 9.031 16.674 ( 7.474 10.205 -1.367) 12.723 16.835 ( 8.675 2.069 1.212) 9.001 17.263 ( 4.578 6.676 2.001) 8.338 17.624 ( 14.300 -6.712 -1.094) 15.835 18.602 ( -2.408 -4.752 -0.519) 5.352 18.902 ( -3.395 -6.051 -0.937) 7.001 18.952 ( -3.346 3.428 5.986) 7.667 19.206 ( -8.739 -1.062 -4.552) 9.910 21.414 ( -0.897 6.080 7.610) 9.781 21.529 ( 2.668 5.543 -7.847) 9.971 22.257 ( 17.359 -14.605 8.488) 24.222 23.021 ( -13.735 -8.530 -4.951) 16.909 24.719 ( -8.453 0.148 -0.402) 8.464 24.872 ( -0.249 1.397 1.853) 2.334 25.288 ( 5.536 1.087 -0.946) 5.720 25.662 ( -1.387 -1.994 -1.326) 2.767 26.556 ( 0.213 0.249 -5.221) 5.231 26.783 ( 0.196 3.021 2.324) 3.816 27.910 ( -1.452 -0.520 1.200) 1.954 28.043 ( 1.858 5.750 0.329) 6.052 28.675 ( -2.723 0.518 -5.816) 6.442 29.416 ( 6.197 -4.151 6.641) 9.987 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -13.414 29.665 4.360) 32.847 2.002 ( -9.400 31.008 -5.483) 32.863 2.815 ( -7.040 3.364 -5.944) 9.808 3.202 ( -1.376 7.565 5.866) 9.671 3.438 ( 10.319 8.934 1.268) 13.707 3.561 ( -7.864 -0.374 -2.902) 8.390 3.991 ( 2.420 15.985 11.815) 20.024 4.234 ( 4.597 22.767 -2.457) 23.356 4.463 ( 8.196 5.224 -8.359) 12.819 4.865 ( 2.677 3.384 -1.633) 4.614 5.161 ( 8.298 9.285 1.228) 12.513 5.352 ( -2.963 7.935 7.500) 11.313 5.714 ( 1.005 -1.846 3.233) 3.856 6.161 ( -3.220 6.356 -14.962) 16.572 6.218 ( 7.876 -6.420 2.973) 10.587 6.389 ( -1.379 -3.004 -2.655) 4.240 6.531 ( -2.611 -10.903 -4.376) 12.035 6.949 ( 5.732 -5.693 5.073) 9.540 7.485 ( -12.071 13.891 6.037) 19.368 7.755 ( 3.925 -2.399 4.663) 6.550 7.942 ( 5.954 -10.192 1.319) 11.877 8.111 ( -7.183 -9.467 3.212) 12.310 8.313 ( -6.512 -6.747 1.848) 9.558 8.615 ( -0.558 -17.223 -2.616) 17.430 9.047 ( -6.722 -6.268 -7.308) 11.742 9.370 ( -2.484 -0.284 0.226) 2.510 9.585 ( 5.796 5.815 -7.765) 11.300 9.835 ( 1.669 1.085 1.105) 2.277 10.248 ( 1.581 -7.523 -2.954) 8.236 10.602 ( -0.602 8.227 -1.931) 8.472 10.941 ( 4.387 -11.937 1.050) 12.761 11.372 ( -18.668 15.910 2.377) 24.643 11.885 ( 6.662 6.236 0.147) 9.126 12.167 ( 0.543 14.318 2.394) 14.527 13.091 ( 1.705 -5.235 -6.332) 8.391 13.358 ( 2.306 -24.202 -1.643) 24.367 13.743 ( 1.616 7.851 -3.737) 8.844 13.750 ( -0.625 -9.249 14.967) 17.606 14.478 ( 11.719 -1.264 -9.525) 15.154 14.732 ( -21.819 -9.215 -0.724) 23.696 14.804 ( -8.599 -4.413 -0.939) 9.711 15.476 ( 3.101 5.495 7.779) 10.016 16.043 ( 6.228 -2.741 -7.280) 9.965 16.419 ( 2.927 15.554 4.770) 16.530 16.673 ( 5.780 3.843 -0.177) 6.943 16.862 ( 1.514 4.432 -0.299) 4.693 17.251 ( 6.479 10.489 1.909) 12.476 17.948 ( 17.751 -8.488 -1.627) 19.743 18.585 ( -3.723 0.362 2.318) 4.400 18.840 ( -8.590 6.299 12.670) 16.553 18.963 ( -1.252 -5.299 -1.419) 5.627 19.100 ( -6.239 -5.497 -5.413) 9.922 21.322 ( -3.467 5.269 0.061) 6.308 21.501 ( 8.736 6.883 -4.423) 11.969 22.789 ( 17.473 -14.325 -2.574) 22.741 22.906 ( -14.651 -14.302 9.526) 22.582 24.602 ( -6.328 0.898 -0.810) 6.443 24.854 ( -1.700 1.182 1.487) 2.548 25.338 ( 3.034 -1.126 -2.324) 3.984 25.644 ( -1.115 1.123 -2.112) 2.639 26.507 ( -1.817 0.893 -7.563) 7.829 26.778 ( -0.063 -0.117 2.488) 2.491 27.900 ( -1.776 -0.415 1.257) 2.215 27.983 ( -0.175 5.633 0.541) 5.662 28.602 ( -1.575 1.425 -4.500) 4.976 29.610 ( 9.214 -3.549 7.367) 12.319 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -10.458 33.453 1.705) 35.091 1.469 ( -3.056 35.490 -1.143) 35.639 2.489 ( -11.646 24.223 -12.001) 29.435 2.965 ( -2.554 21.475 1.463) 21.676 3.354 ( -4.934 2.083 5.898) 7.967 3.631 ( 7.107 -3.122 -0.941) 7.820 3.815 ( -1.376 16.149 7.189) 17.730 3.967 ( 2.202 27.664 0.678) 27.760 4.452 ( 4.326 10.446 -4.217) 12.068 4.695 ( -0.567 20.554 -1.414) 20.610 4.906 ( 4.218 11.596 -1.103) 12.388 5.271 ( -17.166 9.383 3.042) 19.798 5.942 ( 6.015 -14.409 8.163) 17.619 6.050 ( 2.235 -7.649 -7.560) 10.984 6.343 ( 4.619 0.297 -3.751) 5.957 6.415 ( 1.300 -5.004 -7.277) 8.927 6.771 ( 8.887 -13.372 -0.389) 16.060 7.029 ( -6.281 2.511 6.184) 9.165 7.349 ( 4.741 -5.447 3.196) 7.897 7.973 ( 7.211 6.316 5.284) 10.946 8.006 ( 6.554 -10.983 3.184) 13.180 8.298 ( -2.727 -17.341 1.608) 17.628 8.350 ( -4.224 -11.387 4.710) 13.026 8.709 ( -13.066 -10.985 -15.955) 23.365 9.081 ( -0.109 -14.857 -1.635) 14.947 9.329 ( -5.605 -1.435 0.693) 5.827 9.585 ( 7.398 2.210 -5.385) 9.414 9.868 ( 1.817 -2.995 0.679) 3.568 10.338 ( -0.961 12.518 1.892) 12.696 10.391 ( -3.790 0.761 -1.002) 3.993 10.838 ( -10.873 11.974 -2.564) 16.376 11.264 ( 2.608 -8.011 1.972) 8.652 11.894 ( 4.555 13.218 1.437) 14.054 11.988 ( 1.535 9.460 0.019) 9.583 13.076 ( -1.373 3.243 -2.588) 4.370 13.562 ( -2.090 6.285 1.352) 6.760 13.744 ( 2.728 -27.223 -7.052) 28.254 14.044 ( 5.932 -10.071 13.839) 18.114 14.405 ( -8.737 1.657 -9.345) 12.900 14.695 ( 2.614 -7.404 -1.306) 7.960 14.834 ( -9.530 -15.511 0.499) 18.212 15.506 ( 4.117 3.360 3.513) 6.370 16.030 ( 0.995 9.328 -1.733) 9.540 16.288 ( 4.623 16.423 0.797) 17.080 16.718 ( 6.358 3.531 -0.046) 7.273 16.813 ( -0.295 1.350 -0.769) 1.582 17.173 ( 3.054 12.793 0.873) 13.181 18.277 ( 16.090 -5.893 -1.977) 17.249 18.548 ( -2.245 1.448 8.722) 9.122 18.721 ( -8.059 2.630 10.283) 13.327 18.934 ( -1.366 3.408 -0.266) 3.681 19.157 ( -2.308 -12.107 -1.942) 12.477 21.208 ( -2.452 4.361 -2.809) 5.738 21.540 ( 13.156 7.865 -2.142) 15.476 22.639 ( -24.800 -7.531 -7.527) 26.989 23.480 ( 21.189 -23.641 12.138) 33.989 24.516 ( -4.399 0.513 -0.526) 4.460 24.801 ( -3.981 1.629 -0.137) 4.303 25.381 ( 1.668 -2.123 -1.771) 3.229 25.572 ( -1.749 4.921 -2.839) 5.944 26.394 ( -5.138 2.370 -9.256) 10.848 26.805 ( -0.022 -1.859 2.193) 2.875 27.883 ( -1.770 0.171 0.958) 2.020 27.907 ( -1.102 4.885 0.709) 5.057 28.554 ( -0.326 1.167 -2.225) 2.533 29.841 ( 11.472 -3.849 7.588) 14.283 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.000 35.009 -0.000) 35.009 0.979 ( -0.000 37.765 -0.000) 37.765 1.769 ( -0.000 59.383 -0.000) 59.383 2.798 ( -0.000 2.910 -0.000) 2.910 3.324 ( 0.000 -0.543 0.000) 0.543 3.547 ( -0.000 27.311 -0.000) 27.311 3.719 ( -0.000 9.401 -0.000) 9.401 3.734 ( 0.000 -2.831 0.000) 2.831 4.156 ( -0.000 29.824 -0.000) 29.824 4.571 ( -0.000 3.550 -0.000) 3.550 4.888 ( -0.000 8.178 -0.000) 8.178 4.962 ( -0.000 3.700 -0.000) 3.700 6.131 ( 0.000 -0.859 0.000) 0.859 6.179 ( 0.000 -8.997 0.000) 8.997 6.431 ( 0.000 -1.538 0.000) 1.538 6.459 ( 0.000 -14.282 0.000) 14.282 6.849 ( -0.000 8.972 -0.000) 8.972 7.096 ( 0.000 -16.724 0.000) 16.724 7.521 ( 0.000 -6.859 0.000) 6.859 7.992 ( -0.000 0.647 -0.000) 0.647 8.312 ( 0.000 -5.485 0.000) 5.485 8.350 ( -0.000 6.665 -0.000) 6.665 8.560 ( 0.000 -17.958 0.000) 17.958 8.598 ( 0.000 -24.584 0.000) 24.584 9.264 ( -0.000 1.214 -0.000) 1.214 9.286 ( 0.000 -10.750 0.000) 10.750 9.641 ( -0.000 0.239 -0.000) 0.239 9.956 ( -0.000 24.805 -0.000) 24.805 9.995 ( 0.000 -14.740 0.000) 14.740 10.514 ( 0.000 -6.723 0.000) 6.723 10.574 ( -0.000 12.196 -0.000) 12.196 11.374 ( 0.000 -4.079 0.000) 4.079 11.631 ( -0.000 26.079 -0.000) 26.079 11.999 ( 0.000 -1.396 0.000) 1.396 12.966 ( -0.000 8.800 -0.000) 8.800 13.558 ( 0.000 -4.247 0.000) 4.247 13.987 ( 0.000 -12.380 0.000) 12.380 14.263 ( 0.000 -2.517 0.000) 2.517 14.334 ( 0.000 -12.812 0.000) 12.812 14.884 ( 0.000 -9.095 0.000) 9.095 14.910 ( 0.000 -16.738 0.000) 16.738 15.525 ( 0.000 -0.014 0.000) 0.014 15.850 ( -0.000 17.881 -0.000) 17.881 16.083 ( -0.000 20.437 -0.000) 20.437 16.704 ( -0.000 6.134 -0.000) 6.134 16.852 ( 0.000 -5.803 0.000) 5.803 17.038 ( -0.000 10.571 -0.000) 10.571 18.469 ( 0.000 -3.280 0.000) 3.280 18.590 ( 0.000 -0.764 0.000) 0.764 18.681 ( 0.000 -2.740 0.000) 2.740 18.877 ( -0.000 3.737 -0.000) 3.737 19.274 ( 0.000 -8.861 0.000) 8.861 21.127 ( -0.000 3.460 -0.000) 3.460 21.607 ( -0.000 4.540 -0.000) 4.540 22.376 ( -0.000 0.627 -0.000) 0.627 24.053 ( 0.000 -26.314 0.000) 26.314 24.464 ( -0.000 0.593 -0.000) 0.593 24.720 ( -0.000 3.192 -0.000) 3.192 25.427 ( 0.000 -2.746 0.000) 2.746 25.449 ( -0.000 8.655 -0.000) 8.655 26.242 ( -0.000 5.763 -0.000) 5.763 26.838 ( 0.000 -2.047 0.000) 2.047 27.844 ( -0.000 3.606 -0.000) 3.606 27.864 ( -0.000 0.528 -0.000) 0.528 28.535 ( -0.000 0.755 -0.000) 0.755 30.059 ( 0.000 -6.949 0.000) 6.949 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 26.894 0.000 3.082) 27.070 2.147 ( 27.129 0.000 11.243) 29.366 2.712 ( 1.041 0.000 -13.194) 13.235 2.839 ( 18.565 0.000 13.103) 22.724 3.314 ( 12.150 0.000 -6.757) 13.902 3.455 ( 18.022 0.000 -5.572) 18.863 3.654 ( 4.570 0.000 -2.887) 5.405 3.817 ( 2.410 0.000 -1.713) 2.956 4.015 ( 4.463 0.000 3.637) 5.757 4.718 ( -4.617 -0.000 13.379) 14.153 5.090 ( 19.296 0.000 -5.991) 20.205 5.516 ( -5.225 -0.000 3.238) 6.147 5.815 ( -5.147 -0.000 2.280) 5.629 5.850 ( -8.925 -0.000 7.103) 11.406 6.089 ( -0.118 -0.000 3.480) 3.482 6.437 ( 7.952 0.000 -5.522) 9.682 6.664 ( 3.051 0.000 -5.215) 6.042 6.874 ( -19.289 -0.000 -2.261) 19.421 7.302 ( 1.379 0.000 -12.636) 12.711 7.402 ( -4.568 -0.000 4.787) 6.617 8.082 ( -1.682 -0.000 7.385) 7.574 8.366 ( -6.857 -0.000 15.995) 17.403 8.609 ( -1.937 -0.000 4.374) 4.784 8.809 ( -9.989 -0.000 -7.498) 12.490 9.200 ( 3.581 0.000 -9.876) 10.505 9.708 ( 2.933 0.000 10.241) 10.652 10.223 ( -9.043 -0.000 10.267) 13.681 10.357 ( -2.220 -0.000 -2.401) 3.270 10.534 ( 7.928 0.000 -9.517) 12.387 10.630 ( -5.673 -0.000 5.468) 7.880 10.745 ( 19.734 0.000 -0.202) 19.735 11.035 ( 14.225 0.000 -12.637) 19.027 11.439 ( 5.019 0.000 0.800) 5.082 11.557 ( -7.810 -0.000 -5.207) 9.386 13.536 ( 3.834 0.000 9.264) 10.025 13.588 ( 6.403 0.000 -3.410) 7.255 13.930 ( -5.756 -0.000 0.654) 5.793 14.162 ( -22.069 -0.000 6.106) 22.898 14.422 ( -15.801 -0.000 -2.089) 15.939 14.622 ( -7.924 -0.000 2.306) 8.253 14.723 ( -6.063 -0.000 -4.634) 7.631 15.211 ( 3.950 0.000 1.757) 4.323 15.872 ( 7.117 0.000 -3.935) 8.132 16.502 ( 13.623 0.000 2.786) 13.905 16.725 ( 4.379 0.000 14.885) 15.516 16.831 ( -1.076 -0.000 -0.370) 1.138 17.152 ( 12.012 0.000 -2.062) 12.187 17.766 ( 15.302 0.000 -24.508) 28.893 18.087 ( -7.396 -0.000 5.411) 9.164 18.375 ( -8.209 -0.000 -7.193) 10.915 19.020 ( -0.561 -0.000 2.095) 2.169 19.453 ( -1.232 -0.000 0.548) 1.349 21.350 ( 1.338 0.000 11.618) 11.695 21.358 ( 4.359 0.000 4.981) 6.619 22.413 ( -21.212 -0.000 -5.377) 21.883 23.377 ( -9.650 -0.000 -20.810) 22.939 24.682 ( -0.171 -0.000 6.725) 6.727 25.169 ( 1.183 0.000 2.445) 2.716 25.261 ( -0.123 -0.000 7.087) 7.088 25.370 ( 2.410 0.000 -1.747) 2.976 26.692 ( -1.216 -0.000 -9.772) 9.848 27.189 ( -6.724 -0.000 16.339) 17.668 27.875 ( 0.949 0.000 3.103) 3.245 28.411 ( 7.054 0.000 -17.694) 19.048 28.426 ( 3.310 0.000 -3.136) 4.559 28.916 ( 1.084 0.000 10.494) 10.550 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 19.138 -5.988 4.296) 20.508 2.494 ( 11.582 -4.690 1.289) 12.562 2.820 ( 21.238 -0.422 -0.263) 21.244 3.152 ( 17.420 -3.310 3.505) 18.075 3.362 ( 4.134 -3.046 -10.615) 11.792 3.638 ( 2.129 2.413 -2.511) 4.082 3.688 ( 3.277 -1.445 0.766) 3.662 3.841 ( 0.585 -2.621 -4.314) 5.081 4.214 ( 7.990 -3.679 7.342) 11.458 4.733 ( 1.030 -2.214 12.308) 12.548 5.263 ( 16.298 9.008 -1.374) 18.672 5.430 ( -1.510 4.855 4.341) 6.685 5.694 ( -10.591 3.715 6.675) 13.059 5.849 ( 7.265 -1.414 -5.582) 9.270 6.217 ( 2.955 -9.930 -0.233) 10.363 6.412 ( 2.720 11.223 -5.242) 12.682 6.552 ( -16.692 6.258 -0.686) 17.840 6.951 ( 16.165 -22.046 -8.087) 28.508 7.272 ( -1.530 -6.730 -4.211) 8.085 7.365 ( -6.585 -5.361 0.488) 8.505 8.080 ( -1.285 3.939 8.614) 9.559 8.333 ( -2.555 5.858 12.888) 14.386 8.623 ( -12.008 -0.984 -3.169) 12.458 8.673 ( -3.469 -6.613 4.358) 8.646 9.158 ( 4.348 6.337 -11.240) 13.616 9.679 ( -4.999 14.277 -0.546) 15.137 9.942 ( -3.507 15.556 13.129) 20.656 10.290 ( -6.726 5.104 3.251) 9.048 10.403 ( -8.459 0.120 2.891) 8.940 10.835 ( 21.602 19.443 -9.542) 30.589 10.954 ( -1.282 -31.544 -1.773) 31.620 11.326 ( 1.390 12.058 -2.316) 12.357 11.426 ( 14.240 -15.716 -5.939) 22.024 11.601 ( 8.004 -10.105 -4.336) 13.601 13.358 ( -21.881 13.647 3.432) 26.015 13.630 ( -2.690 5.948 -0.814) 6.579 13.730 ( -6.407 -0.032 -0.502) 6.427 14.021 ( -3.059 -2.951 2.374) 4.869 14.344 ( -4.870 -1.497 -0.118) 5.096 14.490 ( -14.601 -3.442 3.672) 15.444 14.661 ( -5.245 -6.854 3.549) 9.332 15.376 ( 10.315 -8.049 -5.891) 14.348 15.924 ( 4.961 0.659 -3.832) 6.303 16.645 ( 11.543 11.145 6.906) 17.468 16.758 ( 4.003 3.227 2.172) 5.581 16.892 ( 0.218 -2.126 9.090) 9.337 17.272 ( 11.356 3.690 -3.618) 12.476 17.738 ( -0.577 11.760 -5.339) 12.928 18.140 ( 0.707 -10.287 -5.320) 11.603 18.343 ( -1.444 -16.799 -8.210) 18.754 19.012 ( -2.914 -0.502 3.076) 4.266 19.412 ( -3.112 1.383 -0.647) 3.466 21.442 ( 2.128 -1.094 11.394) 11.643 21.457 ( 5.518 1.255 9.230) 10.827 22.119 ( -14.628 2.220 -5.651) 15.838 23.130 ( -10.277 -1.842 -21.291) 23.714 24.713 ( -1.692 -1.636 5.716) 6.182 25.129 ( -5.015 2.132 -0.494) 5.472 25.255 ( 5.152 6.188 6.314) 10.232 25.474 ( 0.730 -6.859 0.363) 6.907 26.630 ( -0.036 0.577 -8.362) 8.382 27.131 ( -4.302 6.242 9.439) 12.106 27.902 ( 0.638 0.125 2.503) 2.586 28.324 ( 6.668 9.470 -5.578) 12.855 28.546 ( 2.881 -6.992 -6.725) 10.120 29.019 ( -0.687 -6.142 7.522) 9.735 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 10.749 -4.816 -2.942) 12.141 2.747 ( 12.663 -9.339 4.810) 16.453 3.157 ( 15.796 -1.765 5.597) 16.851 3.319 ( 0.156 6.852 -4.144) 8.009 3.424 ( 3.160 -7.227 -3.878) 8.789 3.657 ( 10.718 6.332 -5.734) 13.706 3.740 ( 4.040 -0.174 1.319) 4.254 3.831 ( -2.984 -6.776 6.636) 9.943 4.275 ( 0.131 -1.189 3.981) 4.157 4.959 ( 20.252 3.866 -1.041) 20.644 5.265 ( 3.885 15.495 7.161) 17.506 5.496 ( 4.227 -9.219 1.132) 10.205 5.578 ( -8.331 -2.461 9.881) 13.157 5.944 ( 14.792 9.215 -12.050) 21.188 6.193 ( -13.563 1.690 1.242) 13.724 6.325 ( 5.657 2.267 -9.548) 11.327 6.462 ( 3.286 -10.696 3.490) 11.721 7.042 ( -7.383 -1.402 -10.844) 13.193 7.364 ( -5.826 -5.560 2.552) 8.448 7.741 ( 16.772 -33.904 -1.714) 37.865 8.033 ( -0.923 8.125 10.161) 13.043 8.281 ( -1.861 6.624 6.824) 9.690 8.482 ( -9.358 -0.423 3.156) 9.885 8.532 ( -11.247 15.345 -1.940) 19.124 9.099 ( 3.662 3.272 -8.025) 9.408 9.431 ( 2.346 9.027 0.829) 9.364 9.869 ( -5.157 5.815 8.886) 11.806 10.062 ( -13.604 7.629 1.743) 15.694 10.301 ( -9.306 -0.279 4.795) 10.473 10.801 ( 20.049 20.953 -13.201) 31.863 11.086 ( -3.975 13.965 0.529) 14.529 11.368 ( 3.677 -27.425 -3.767) 27.926 11.604 ( 1.116 -4.510 2.513) 5.282 12.070 ( 23.031 -20.821 -6.127) 31.646 12.858 ( -19.909 12.725 -1.203) 23.659 13.401 ( -16.095 3.722 1.423) 16.581 13.773 ( -3.536 1.014 2.696) 4.561 13.907 ( -3.174 2.534 -3.081) 5.098 14.273 ( -3.893 2.785 1.056) 4.901 14.423 ( -17.122 -16.251 1.474) 23.652 14.795 ( 6.719 -5.346 7.852) 11.636 15.574 ( 8.592 -7.201 -11.599) 16.131 15.970 ( 4.032 -0.035 -2.503) 4.746 16.620 ( 6.553 13.009 4.037) 15.115 16.788 ( 2.353 5.737 8.156) 10.246 16.992 ( 7.636 0.772 6.244) 9.894 17.348 ( 7.349 1.838 -3.124) 8.194 17.536 ( -0.283 11.563 -1.629) 11.680 18.211 ( -3.901 -11.425 -4.373) 12.841 18.590 ( 2.839 -19.292 -9.754) 21.804 18.989 ( -2.946 0.376 4.720) 5.577 19.328 ( -5.546 1.479 -1.220) 5.869 21.528 ( 2.253 1.369 10.034) 10.374 21.603 ( 6.863 -0.297 14.837) 16.350 21.896 ( -7.009 2.326 -8.434) 11.210 22.932 ( -10.856 -6.422 -18.408) 22.315 24.732 ( -3.390 -2.268 4.608) 6.154 25.014 ( -4.290 3.913 -0.405) 5.820 25.302 ( 5.389 3.486 3.569) 7.344 25.540 ( -1.644 -5.069 -0.190) 5.332 26.594 ( 1.604 0.837 -5.722) 6.001 27.028 ( -2.473 7.687 4.757) 9.372 27.915 ( 0.162 0.401 1.752) 1.805 28.277 ( 5.613 8.756 -1.841) 10.562 28.623 ( 1.441 -5.225 -5.789) 7.930 29.124 ( -0.392 -6.500 5.844) 8.750 ======================= Grid point 26 (19/141) ======================= q-point: (-0.50 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 10.192 -0.663 -2.446) 10.502 2.990 ( 1.624 3.289 -3.355) 4.971 3.095 ( -8.089 5.565 5.868) 11.438 3.306 ( 5.332 2.726 -2.887) 6.648 3.387 ( -6.257 10.878 -0.973) 12.587 3.563 ( -4.738 -5.120 7.672) 10.370 3.928 ( 17.827 -1.652 3.895) 18.322 4.219 ( 23.118 -11.154 7.785) 26.823 4.379 ( 8.005 -4.474 -3.157) 9.699 4.991 ( 5.345 12.554 -13.923) 19.494 5.179 ( 2.138 11.166 8.505) 14.198 5.571 ( 7.039 3.546 5.448) 9.582 5.699 ( -1.098 -8.993 0.643) 9.082 5.903 ( 0.534 0.945 -4.333) 4.466 6.141 ( -0.660 -8.176 2.592) 8.602 6.345 ( 7.139 1.713 -7.845) 10.745 6.747 ( 1.516 -8.739 8.338) 12.174 6.923 ( -0.553 -11.857 -17.251) 20.941 7.289 ( -5.771 11.632 1.595) 13.083 7.917 ( -5.033 12.089 12.134) 17.852 8.025 ( -10.741 10.339 0.491) 14.917 8.158 ( -3.997 -8.440 -9.075) 13.021 8.330 ( -1.871 4.854 12.507) 13.546 8.539 ( 7.886 -11.646 0.560) 14.076 9.010 ( -2.762 4.348 -7.278) 8.916 9.445 ( -4.445 5.961 -1.900) 7.674 9.635 ( -6.462 4.100 8.091) 11.137 9.888 ( -4.873 2.140 0.374) 5.335 10.216 ( -3.066 3.183 2.324) 4.993 10.734 ( 8.728 12.152 -6.540) 16.329 10.866 ( 1.574 12.060 -4.998) 13.149 11.660 ( -1.460 -5.977 2.941) 6.819 11.781 ( 6.727 -22.430 -1.480) 23.464 12.436 ( -3.196 8.933 -2.979) 9.944 12.656 ( 11.319 -16.274 -2.296) 19.956 13.108 ( -17.179 5.341 1.943) 18.095 13.596 ( -4.327 9.796 4.719) 11.703 13.930 ( -5.668 -8.082 -5.780) 11.439 14.211 ( -11.941 -11.026 4.080) 16.757 14.414 ( -3.145 -4.132 -1.573) 5.425 14.986 ( 5.581 -3.250 3.392) 7.295 15.656 ( 2.596 -1.187 -7.343) 7.878 15.957 ( 1.096 5.259 -3.597) 6.465 16.591 ( 4.567 5.666 3.117) 7.917 16.810 ( 4.088 3.210 6.111) 8.022 17.087 ( 10.365 10.491 5.324) 15.680 17.406 ( 4.639 2.697 6.170) 8.177 17.495 ( 9.323 -0.583 -6.790) 11.548 18.301 ( -4.605 -14.583 -3.468) 15.681 18.727 ( -3.956 -10.967 -10.083) 15.413 18.991 ( -0.239 0.724 6.813) 6.856 19.207 ( -7.856 1.386 -1.506) 8.118 21.573 ( 1.050 4.704 10.861) 11.882 21.658 ( -1.843 4.948 -0.196) 5.283 21.937 ( 11.444 -8.960 3.691) 14.995 22.791 ( -12.547 -9.128 -13.035) 20.265 24.709 ( -5.773 -0.662 2.512) 6.330 24.932 ( -1.166 2.792 1.585) 3.416 25.322 ( 1.177 1.361 -2.599) 3.161 25.584 ( 0.237 -3.277 1.585) 3.648 26.588 ( 2.556 1.358 -3.427) 4.486 26.923 ( -1.490 6.852 1.981) 7.287 27.915 ( -0.252 0.677 1.419) 1.592 28.227 ( 3.804 8.393 -0.489) 9.228 28.651 ( -0.161 -2.261 -5.577) 6.020 29.252 ( 1.700 -7.656 5.551) 9.609 ======================= Grid point 27 (20/141) ======================= q-point: (-0.40 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -6.244 23.146 2.767) 24.132 2.782 ( 1.478 20.659 -3.998) 21.094 2.906 ( -5.463 8.266 -0.907) 9.950 3.255 ( 0.720 -0.681 5.125) 5.220 3.394 ( -0.116 -4.450 -1.914) 4.846 3.627 ( -0.821 -1.308 6.527) 6.707 4.213 ( 14.515 0.103 7.588) 16.379 4.500 ( 13.746 -0.248 -11.567) 17.967 4.673 ( 3.486 -2.114 -3.249) 5.213 4.866 ( 18.979 2.959 -2.918) 19.428 5.060 ( -6.085 8.938 9.446) 14.357 5.606 ( -0.226 4.748 8.170) 9.453 5.825 ( 15.379 -0.088 -6.733) 16.789 5.990 ( 0.075 -16.259 -4.687) 16.922 6.257 ( -7.813 -8.443 2.706) 11.818 6.381 ( 8.564 3.899 -7.239) 11.872 6.625 ( -15.277 13.127 2.951) 20.357 6.923 ( 5.409 18.925 1.743) 19.760 7.265 ( 7.098 -21.099 -8.149) 23.706 7.767 ( -3.689 4.322 4.876) 7.488 7.943 ( -6.534 -6.942 3.259) 10.075 8.090 ( -8.801 -5.180 -5.742) 11.716 8.187 ( -12.911 17.201 7.297) 22.711 8.530 ( -2.544 11.095 9.854) 15.056 8.988 ( 1.168 -3.132 -9.049) 9.647 9.271 ( -6.631 -5.428 3.573) 9.284 9.657 ( -3.415 -1.266 -3.462) 5.025 9.887 ( 5.919 -2.017 1.131) 6.355 10.143 ( 0.846 5.201 -2.966) 6.047 10.663 ( -3.297 -1.335 -3.853) 5.244 10.833 ( 11.729 6.332 -1.985) 13.476 11.644 ( -9.310 3.408 6.458) 11.832 12.068 ( 1.632 -1.891 -1.485) 2.906 12.280 ( 7.090 -0.516 -6.346) 9.529 12.859 ( -6.908 -2.690 -0.681) 7.444 13.028 ( 4.254 -9.689 1.839) 10.740 13.547 ( 1.585 -0.627 10.933) 11.065 13.869 ( -8.505 -7.625 -9.509) 14.863 14.236 ( -16.023 -14.506 8.666) 23.287 14.442 ( 6.897 -0.206 -7.808) 10.420 14.983 ( -4.756 5.551 -4.765) 8.726 15.634 ( 0.460 5.641 9.231) 10.828 15.929 ( 5.224 -2.323 -10.443) 11.905 16.609 ( 1.145 2.506 6.153) 6.741 16.821 ( 2.587 5.773 -2.714) 6.883 17.093 ( 10.059 12.672 3.860) 16.633 17.487 ( 9.725 6.799 5.591) 13.117 17.709 ( 13.543 -9.757 -1.517) 16.760 18.404 ( -5.991 -14.236 -2.821) 15.701 18.716 ( -6.455 -8.855 -7.554) 13.310 18.965 ( -7.209 3.510 6.592) 10.380 19.096 ( -2.636 1.431 -0.982) 3.156 21.485 ( -4.327 6.948 1.983) 8.422 21.647 ( 7.090 4.101 -0.277) 8.195 22.327 ( 14.785 -16.514 7.784) 23.492 22.662 ( -15.253 -8.532 -7.012) 18.831 24.627 ( -5.859 1.151 0.648) 6.006 24.912 ( 0.299 2.565 3.251) 4.152 25.289 ( -2.088 -2.100 -6.200) 6.871 25.639 ( 1.881 -0.847 1.802) 2.738 26.583 ( 2.288 2.878 -2.341) 4.358 26.836 ( -1.095 4.732 0.689) 4.905 27.907 ( -0.467 0.803 1.250) 1.558 28.159 ( 1.672 7.933 -0.057) 8.108 28.627 ( -0.604 0.435 -4.637) 4.696 29.427 ( 3.484 -9.293 4.997) 11.111 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -3.320 32.137 6.517) 32.959 2.365 ( -0.587 33.061 -1.791) 33.115 2.752 ( -5.496 6.082 -6.003) 10.161 3.309 ( 2.706 1.292 3.322) 4.475 3.444 ( -3.252 -2.855 5.147) 6.725 3.582 ( -0.412 4.118 -4.993) 6.486 4.316 ( 3.282 16.772 10.206) 19.906 4.542 ( 6.189 5.301 -12.686) 15.078 4.602 ( 12.819 9.326 -7.376) 17.484 4.905 ( -8.904 4.519 8.636) 13.201 5.261 ( 15.781 -9.185 4.099) 18.714 5.627 ( -5.715 -6.387 3.144) 9.129 5.751 ( 3.869 33.409 -2.027) 33.693 6.128 ( -4.429 12.127 -11.764) 17.466 6.242 ( 0.520 -12.010 2.844) 12.353 6.296 ( -0.846 -7.558 6.266) 9.854 6.409 ( 2.281 1.225 -3.531) 4.378 7.013 ( 12.409 -2.821 0.384) 12.731 7.432 ( -12.570 0.317 0.632) 12.589 7.711 ( -1.981 -2.761 -1.177) 3.596 7.807 ( -5.983 -6.987 5.084) 10.510 7.979 ( -4.260 -4.108 -7.033) 9.191 8.115 ( -4.059 -13.497 2.555) 14.324 8.571 ( 4.482 2.091 17.306) 17.999 8.901 ( -3.885 1.553 -12.279) 12.972 9.313 ( -1.999 -3.321 0.707) 3.940 9.595 ( -1.304 -0.818 -5.415) 5.630 9.967 ( 4.827 6.349 0.558) 7.995 10.137 ( 0.317 -8.317 -2.644) 8.733 10.648 ( -1.736 -2.298 -2.279) 3.672 10.931 ( 7.269 1.908 1.656) 7.696 11.366 ( -11.864 14.498 2.082) 18.850 12.038 ( 4.265 4.899 -1.300) 6.624 12.328 ( 1.201 8.277 0.955) 8.418 13.005 ( 7.343 -17.896 -7.872) 20.885 13.123 ( -3.013 -7.229 3.334) 8.512 13.682 ( -6.694 -7.897 12.829) 16.485 13.877 ( 10.226 -1.376 -5.540) 11.712 14.219 ( -16.049 -12.784 3.609) 20.833 14.485 ( 1.607 -2.187 -8.502) 8.925 14.773 ( -5.205 5.889 -2.218) 8.166 15.632 ( 2.791 5.942 6.445) 9.200 16.026 ( 4.065 -6.703 -5.807) 9.755 16.611 ( 1.128 5.852 7.836) 9.845 16.724 ( -0.617 5.289 -6.369) 8.302 17.074 ( 7.558 12.763 1.765) 14.938 17.508 ( 6.057 11.314 2.157) 13.013 18.058 ( 15.866 -10.750 0.717) 19.178 18.436 ( -8.964 -8.916 -2.153) 12.825 18.767 ( -3.569 -15.056 -2.713) 15.710 18.819 ( -8.161 3.909 3.978) 9.885 19.049 ( -0.463 3.984 0.907) 4.112 21.351 ( -2.468 6.451 -0.940) 6.971 21.706 ( 9.229 4.798 0.121) 10.402 22.500 ( -14.943 -5.103 -5.566) 16.743 22.829 ( 11.665 -24.322 8.107) 28.166 24.541 ( -3.910 1.532 0.030) 4.199 24.883 ( -0.466 4.228 1.850) 4.639 25.278 ( -1.709 -5.067 -4.544) 7.017 25.661 ( 1.137 1.955 0.393) 2.296 26.536 ( 0.744 6.128 -2.166) 6.542 26.788 ( -0.545 1.270 0.618) 1.514 27.895 ( -0.461 0.845 0.874) 1.300 28.070 ( 0.076 7.517 0.001) 7.517 28.588 ( -0.214 1.407 -2.592) 2.957 29.632 ( 3.756 -10.692 3.530) 11.870 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -0.000 37.325 -0.000) 37.325 1.928 ( -0.000 35.232 -0.000) 35.232 2.582 ( -0.000 9.926 -0.000) 9.926 3.264 ( -0.000 21.083 -0.000) 21.083 3.341 ( -0.000 0.538 -0.000) 0.538 3.613 ( 0.000 -5.672 0.000) 5.672 4.066 ( -0.000 22.424 -0.000) 22.424 4.407 ( -0.000 30.000 -0.000) 30.000 4.546 ( -0.000 2.478 -0.000) 2.478 4.841 ( -0.000 3.120 -0.000) 3.120 5.297 ( -0.000 24.977 -0.000) 24.977 5.307 ( -0.000 24.531 -0.000) 24.531 5.787 ( 0.000 -15.108 0.000) 15.108 5.922 ( 0.000 -5.294 0.000) 5.294 6.348 ( 0.000 -4.552 0.000) 4.552 6.400 ( -0.000 3.063 -0.000) 3.063 6.574 ( 0.000 -22.520 0.000) 22.520 7.132 ( -0.000 11.832 -0.000) 11.832 7.270 ( 0.000 -10.064 0.000) 10.064 7.874 ( 0.000 -17.111 0.000) 17.111 7.978 ( 0.000 -5.231 0.000) 5.231 8.000 ( 0.000 -21.429 0.000) 21.429 8.258 ( 0.000 -9.292 0.000) 9.292 8.587 ( -0.000 9.268 -0.000) 9.268 8.878 ( 0.000 -12.215 0.000) 12.215 9.305 ( -0.000 0.980 -0.000) 0.980 9.598 ( 0.000 -2.158 0.000) 2.158 9.916 ( -0.000 5.115 -0.000) 5.115 10.275 ( 0.000 -11.077 0.000) 11.077 10.567 ( -0.000 14.829 -0.000) 14.829 10.894 ( -0.000 9.814 -0.000) 9.814 11.198 ( 0.000 -2.662 0.000) 2.662 12.024 ( -0.000 3.015 -0.000) 3.015 12.172 ( -0.000 15.604 -0.000) 15.604 13.090 ( -0.000 0.544 -0.000) 0.544 13.403 ( 0.000 -26.860 0.000) 26.860 13.652 ( -0.000 7.548 -0.000) 7.548 14.118 ( 0.000 -7.611 0.000) 7.611 14.134 ( 0.000 -8.661 0.000) 8.661 14.531 ( 0.000 -9.520 0.000) 9.520 14.726 ( 0.000 -2.048 0.000) 2.048 15.601 ( -0.000 4.987 -0.000) 4.987 16.093 ( 0.000 -0.183 0.000) 0.183 16.514 ( -0.000 13.429 -0.000) 13.429 16.694 ( 0.000 -3.736 0.000) 3.736 16.970 ( -0.000 12.621 -0.000) 12.621 17.385 ( -0.000 14.453 -0.000) 14.453 18.354 ( 0.000 -5.597 0.000) 5.597 18.424 ( 0.000 -10.574 0.000) 10.574 18.717 ( -0.000 3.627 -0.000) 3.627 18.947 ( 0.000 -15.933 0.000) 15.933 18.988 ( -0.000 4.792 -0.000) 4.792 21.250 ( -0.000 5.863 -0.000) 5.863 21.736 ( -0.000 4.698 -0.000) 4.698 22.380 ( 0.000 -0.766 0.000) 0.766 23.305 ( 0.000 -29.653 0.000) 29.653 24.490 ( -0.000 1.469 -0.000) 1.469 24.820 ( -0.000 4.697 -0.000) 4.697 25.323 ( 0.000 -5.205 0.000) 5.205 25.624 ( -0.000 4.650 -0.000) 4.650 26.434 ( -0.000 8.319 -0.000) 8.319 26.788 ( 0.000 -1.184 0.000) 1.184 27.882 ( -0.000 0.892 -0.000) 0.892 27.977 ( -0.000 6.581 -0.000) 6.581 28.562 ( -0.000 1.315 -0.000) 1.315 29.819 ( 0.000 -11.158 0.000) 11.158 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 14.115 0.000 5.620) 15.193 2.586 ( 9.130 0.000 -3.812) 9.894 3.124 ( 16.528 0.000 -0.786) 16.547 3.332 ( 1.845 0.000 -4.188) 4.576 3.444 ( 21.584 0.000 4.505) 22.049 3.621 ( 1.066 0.000 -2.334) 2.566 3.690 ( -2.306 -0.000 0.243) 2.318 3.858 ( 7.889 0.000 -6.510) 10.228 4.260 ( -4.128 -0.000 8.849) 9.764 4.919 ( 16.816 0.000 9.666) 19.396 5.457 ( -6.282 -0.000 12.144) 13.672 5.544 ( 15.404 0.000 -6.880) 16.870 5.644 ( -2.419 -0.000 0.209) 2.428 5.887 ( 3.919 0.000 -2.223) 4.505 6.200 ( 3.809 0.000 3.387) 5.097 6.343 ( -13.848 -0.000 -6.510) 15.301 6.795 ( 16.232 0.000 -3.719) 16.652 6.814 ( 14.273 0.000 -8.285) 16.503 7.159 ( -7.679 -0.000 3.428) 8.410 7.168 ( -9.167 -0.000 -7.583) 11.897 8.142 ( 0.477 0.000 5.907) 5.926 8.418 ( -5.226 -0.000 -4.369) 6.812 8.520 ( -4.337 -0.000 27.074) 27.419 8.591 ( -0.773 -0.000 -3.444) 3.530 9.165 ( 1.167 0.000 -12.457) 12.511 9.680 ( -8.217 -0.000 1.528) 8.357 10.015 ( -13.262 -0.000 9.412) 16.263 10.278 ( -7.707 -0.000 4.364) 8.857 10.332 ( -10.394 -0.000 5.366) 11.698 10.599 ( 4.568 0.000 -7.204) 8.530 11.403 ( 17.240 0.000 -16.054) 23.558 11.420 ( 6.293 0.000 6.836) 9.291 11.461 ( 24.333 0.000 -7.502) 25.463 11.566 ( 4.290 0.000 -4.023) 5.882 13.165 ( -23.233 -0.000 2.372) 23.353 13.553 ( -24.882 -0.000 4.461) 25.279 13.613 ( -21.281 -0.000 -0.946) 21.302 13.702 ( 1.745 0.000 -3.128) 3.582 14.332 ( -15.390 -0.000 4.121) 15.932 14.343 ( 6.008 0.000 -2.282) 6.427 14.740 ( 12.371 0.000 7.091) 14.259 15.436 ( 10.125 0.000 -8.635) 13.307 15.980 ( 6.129 0.000 -3.614) 7.115 16.789 ( -3.313 -0.000 5.100) 6.081 16.920 ( 13.889 0.000 3.803) 14.400 16.960 ( 1.312 0.000 13.297) 13.362 17.375 ( 0.498 0.000 1.058) 1.169 17.948 ( 10.289 0.000 -11.916) 15.744 18.024 ( 1.291 0.000 -2.372) 2.701 18.091 ( -4.056 -0.000 -10.445) 11.205 18.992 ( -2.475 -0.000 5.752) 6.262 19.353 ( -5.205 -0.000 -2.389) 5.727 21.526 ( 2.265 0.000 11.312) 11.536 21.616 ( 7.486 0.000 12.971) 14.976 21.938 ( -9.565 -0.000 -4.825) 10.714 22.838 ( -11.761 -0.000 -22.681) 25.549 24.702 ( -2.412 -0.000 4.998) 5.550 25.072 ( -4.886 -0.000 -0.823) 4.955 25.404 ( 4.025 0.000 8.072) 9.020 25.413 ( -0.926 -0.000 -3.138) 3.272 26.607 ( 1.873 0.000 -6.285) 6.558 27.141 ( -4.875 -0.000 5.207) 7.133 27.923 ( 0.279 0.000 2.306) 2.323 28.450 ( 5.067 0.000 -7.096) 8.720 28.514 ( 4.933 0.000 -3.169) 5.863 29.011 ( -1.096 -0.000 7.742) 7.819 ======================= Grid point 35 (24/141) ======================= q-point: ( 0.40 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 8.085 -2.261 -3.956) 9.280 2.791 ( 8.901 -8.294 7.100) 14.086 3.163 ( -3.797 0.106 -12.430) 12.997 3.359 ( 1.544 -3.573 -3.668) 5.349 3.548 ( 5.134 11.597 8.182) 15.093 3.649 ( -5.050 1.455 3.972) 6.587 3.887 ( 16.460 -7.542 3.231) 18.392 4.041 ( 26.768 2.095 1.865) 26.914 4.275 ( 1.629 -2.994 2.330) 4.129 5.174 ( 9.399 -3.110 -0.422) 9.909 5.429 ( -10.265 -4.457 11.444) 16.006 5.544 ( 4.507 10.853 -3.777) 12.344 5.608 ( 8.441 13.684 1.291) 16.129 5.947 ( -5.677 -6.842 -5.672) 10.546 6.202 ( -0.845 -3.634 -4.408) 5.775 6.383 ( 9.339 -9.909 6.918) 15.273 6.596 ( 13.526 24.729 -9.898) 29.873 6.892 ( -8.456 6.895 -4.599) 11.841 7.137 ( -8.017 -11.412 -1.288) 14.006 7.488 ( 10.898 -32.473 -0.925) 34.265 8.152 ( 0.912 3.531 3.078) 4.772 8.328 ( -3.215 -2.053 -1.915) 4.268 8.511 ( 1.623 7.210 7.174) 10.299 8.589 ( -4.212 11.157 12.359) 17.174 9.092 ( -0.954 1.576 -10.876) 11.031 9.547 ( -3.751 2.874 1.551) 4.974 9.816 ( -16.466 3.627 2.341) 17.023 10.049 ( -7.565 14.762 5.314) 17.418 10.208 ( -5.396 0.609 6.544) 8.504 10.893 ( 1.265 -24.845 -2.924) 25.049 11.305 ( 9.845 25.342 -9.562) 28.820 11.381 ( 8.432 10.128 -9.398) 16.187 11.603 ( 4.173 -3.079 6.323) 8.177 12.080 ( 24.223 -23.363 -6.052) 34.194 12.757 ( -17.192 12.224 -0.204) 21.096 13.210 ( -19.680 2.332 2.561) 19.983 13.451 ( -28.259 -19.229 -0.431) 34.184 13.708 ( -5.060 -5.137 0.027) 7.211 14.148 ( -8.318 4.837 3.995) 10.418 14.407 ( 5.800 1.138 -0.887) 5.977 14.954 ( 12.114 0.362 4.399) 12.893 15.536 ( 6.209 -4.984 -11.714) 14.164 16.062 ( 9.202 2.456 -2.866) 9.946 16.765 ( -1.194 3.058 6.669) 7.433 16.969 ( -1.347 9.066 15.556) 18.055 17.122 ( 9.234 -2.025 0.583) 9.471 17.386 ( -1.390 -5.382 5.625) 7.908 17.776 ( 8.274 19.556 -10.142) 23.532 17.998 ( -4.893 -6.695 -5.458) 9.927 18.315 ( 3.323 -19.794 -11.505) 23.135 19.008 ( 0.100 0.463 7.855) 7.870 19.247 ( -6.726 1.089 -2.897) 7.404 21.616 ( 2.059 -0.121 10.540) 10.739 21.784 ( -4.430 3.399 14.589) 15.621 21.812 ( 7.813 -1.516 -5.490) 9.668 22.594 ( -11.329 -4.881 -19.967) 23.470 24.693 ( -2.897 -0.399 3.885) 4.863 24.994 ( -3.661 1.550 -0.170) 3.979 25.350 ( -3.118 0.670 -4.618) 5.612 25.517 ( 3.837 -1.567 6.137) 7.405 26.613 ( 3.050 0.557 -3.671) 4.805 27.070 ( -4.064 3.482 2.035) 5.726 27.932 ( 0.008 0.449 1.595) 1.657 28.440 ( 4.461 6.562 -2.468) 8.310 28.584 ( 3.842 -2.218 -4.071) 6.021 29.065 ( -1.180 -5.483 5.651) 7.962 ======================= Grid point 36 (25/141) ======================= q-point: (-0.50 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -0.632 -7.632 -4.363) 8.814 2.990 ( -5.580 3.815 -10.837) 12.772 3.055 ( 8.548 -6.477 8.402) 13.624 3.371 ( -3.654 1.986 -2.456) 4.830 3.499 ( 2.563 10.992 8.535) 14.151 3.570 ( 0.454 4.232 4.574) 6.248 4.161 ( 16.224 -0.651 0.701) 16.252 4.388 ( 5.333 -7.620 4.520) 10.341 4.513 ( 25.905 -3.057 2.899) 26.246 5.157 ( 4.492 11.033 -15.737) 19.737 5.336 ( -7.038 7.179 7.270) 12.406 5.503 ( -3.603 -7.189 -2.745) 8.497 5.666 ( 7.823 -3.626 5.385) 10.166 5.888 ( -7.647 -1.374 6.144) 9.905 6.218 ( 6.371 9.690 -1.821) 11.739 6.509 ( 3.608 -3.698 -11.633) 12.729 6.666 ( -8.008 6.371 1.697) 10.373 6.745 ( 16.888 -9.588 -3.156) 19.675 7.196 ( -3.015 -10.880 -0.570) 11.305 7.793 ( -9.149 -11.948 -0.673) 15.063 8.100 ( -0.221 6.471 -3.148) 7.200 8.259 ( -2.910 28.407 3.812) 28.809 8.446 ( -0.663 -2.931 11.746) 12.124 8.563 ( 13.534 -2.602 3.630) 14.252 8.973 ( -4.277 4.733 -8.932) 10.976 9.406 ( -17.491 12.282 -3.319) 21.629 9.566 ( -8.077 -4.406 2.916) 9.652 9.894 ( 0.454 6.162 6.696) 9.111 10.220 ( -0.383 -2.020 7.185) 7.473 10.855 ( -10.969 13.098 -1.335) 17.136 11.152 ( 15.029 17.456 -13.803) 26.854 11.474 ( 3.140 -17.395 -5.151) 18.412 11.778 ( 10.647 -4.156 6.586) 13.192 12.463 ( -5.558 7.957 -4.941) 10.891 12.640 ( 17.368 -18.431 -0.455) 25.329 12.924 ( -17.868 2.696 2.045) 18.185 13.323 ( -25.270 -22.674 -1.695) 33.993 13.679 ( -8.628 -1.548 6.229) 10.754 14.041 ( -3.049 -0.036 -0.316) 3.065 14.477 ( 6.962 1.576 -0.421) 7.150 15.067 ( 3.867 2.574 -0.970) 4.746 15.614 ( 3.565 -5.803 -7.993) 10.501 16.081 ( 5.205 10.554 -0.718) 11.789 16.717 ( 0.204 6.652 0.967) 6.725 16.926 ( -0.569 3.611 11.549) 12.114 17.288 ( 6.212 -5.886 7.151) 11.152 17.539 ( 5.467 -2.941 3.929) 7.347 17.646 ( 11.997 11.552 -5.256) 17.464 18.013 ( -6.812 -12.191 -5.648) 15.064 18.456 ( -3.974 -12.296 -11.398) 17.231 19.041 ( -1.745 2.271 6.130) 6.766 19.130 ( -3.468 1.021 -1.090) 3.776 21.649 ( -4.922 4.974 3.244) 7.713 21.705 ( 3.641 0.714 3.376) 5.016 22.034 ( 10.533 -5.673 6.920) 13.821 22.440 ( -10.998 -8.079 -12.254) 18.341 24.660 ( -3.590 1.193 1.934) 4.249 24.954 ( -0.605 0.488 2.379) 2.503 25.257 ( -5.011 -0.213 -7.045) 8.648 25.616 ( 3.817 -0.810 4.667) 6.083 26.631 ( 2.885 1.145 -1.793) 3.585 26.974 ( -2.737 4.736 0.353) 5.482 27.930 ( -0.131 0.784 1.103) 1.359 28.382 ( 2.670 8.738 -0.822) 9.174 28.625 ( 2.223 -0.460 -3.425) 4.109 29.178 ( 0.012 -9.232 3.980) 10.054 ======================= Grid point 37 (26/141) ======================= q-point: (-0.40 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -5.442 -0.295 -3.077) 6.259 2.858 ( -0.517 3.685 -3.534) 5.132 3.119 ( -0.284 21.609 1.056) 21.637 3.316 ( 6.190 -2.906 6.445) 9.397 3.422 ( 0.707 9.372 6.348) 11.341 3.586 ( -2.398 -2.786 -2.023) 4.196 4.374 ( 9.290 -3.342 2.415) 10.164 4.570 ( 4.229 -5.454 1.735) 7.116 4.715 ( 6.848 3.930 -10.937) 13.489 5.086 ( -0.755 6.907 2.956) 7.551 5.216 ( 11.458 6.588 -2.260) 13.409 5.581 ( -3.987 -8.608 3.580) 10.139 5.783 ( -5.263 -7.079 3.694) 9.563 5.944 ( 8.498 -4.840 3.925) 10.538 6.170 ( 0.314 0.866 -4.264) 4.362 6.504 ( -8.433 -1.956 -1.156) 8.734 6.544 ( 3.729 7.187 -3.845) 8.963 7.031 ( 4.359 -13.302 -2.526) 14.224 7.335 ( 13.417 1.627 -1.676) 13.619 7.715 ( -11.105 -3.804 -0.037) 11.739 7.847 ( -0.713 21.865 -0.485) 21.882 8.017 ( -3.264 7.684 1.325) 8.453 8.343 ( -10.140 23.910 5.613) 26.570 8.705 ( 0.627 6.551 9.633) 11.666 8.892 ( 3.464 -8.193 -10.091) 13.452 9.122 ( -7.189 -3.962 1.032) 8.273 9.520 ( -6.946 -4.955 -1.286) 8.628 9.930 ( 3.056 -1.136 4.201) 5.318 10.242 ( 1.909 6.502 0.022) 6.776 10.592 ( -6.062 4.194 -1.665) 7.557 11.093 ( 11.366 10.605 -6.250) 16.754 11.593 ( -5.386 -1.253 4.095) 6.881 12.075 ( 10.716 -6.524 0.598) 12.560 12.339 ( 4.839 0.125 -8.592) 9.861 12.711 ( -9.935 -1.093 1.114) 10.057 12.931 ( -5.676 -13.021 4.437) 14.881 13.440 ( -0.964 -26.126 -4.794) 26.580 13.577 ( -7.964 2.994 8.509) 12.033 14.053 ( -2.269 -6.430 -0.893) 6.877 14.536 ( 6.464 4.202 -1.232) 7.807 14.965 ( -5.685 7.344 -4.094) 10.149 15.733 ( 4.759 -5.739 2.076) 7.739 15.951 ( 0.136 11.164 -3.138) 11.598 16.662 ( -0.193 2.020 0.673) 2.138 16.924 ( 0.956 5.380 2.720) 6.103 17.405 ( 7.061 11.513 5.309) 14.512 17.659 ( 7.451 -6.957 -2.698) 10.545 17.792 ( 11.872 -0.837 7.103) 13.860 18.071 ( -8.322 -17.702 -4.282) 20.024 18.448 ( -7.032 -9.718 -8.748) 14.847 18.930 ( -6.138 4.464 1.544) 7.745 19.133 ( 1.622 1.972 2.049) 3.274 21.522 ( -2.720 6.409 -0.372) 6.972 21.780 ( 5.168 1.016 3.116) 6.120 22.292 ( 2.835 -12.214 -7.135) 14.426 22.374 ( -4.896 -8.575 5.689) 11.396 24.594 ( -2.731 2.464 0.470) 3.708 24.977 ( 1.764 1.691 4.889) 5.465 25.160 ( -4.752 -2.721 -7.658) 9.414 25.684 ( 2.309 0.060 2.255) 3.228 26.638 ( 1.694 2.014 -0.747) 2.736 26.882 ( -1.319 4.970 -0.146) 5.144 27.921 ( -0.148 1.002 0.671) 1.215 28.287 ( 0.941 9.129 -0.294) 9.182 28.624 ( 0.801 1.292 -2.088) 2.583 29.337 ( 0.880 -11.560 2.361) 11.831 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -0.000 18.167 -0.000) 18.167 2.764 ( -0.000 30.675 -0.000) 30.675 2.771 ( -0.000 6.109 -0.000) 6.109 3.321 ( -0.000 2.145 -0.000) 2.145 3.499 ( 0.000 -0.622 0.000) 0.622 3.526 ( 0.000 -0.925 0.000) 0.925 4.514 ( 0.000 -4.798 0.000) 4.798 4.555 ( -0.000 7.948 -0.000) 7.948 4.779 ( 0.000 -4.252 0.000) 4.252 4.895 ( -0.000 12.907 -0.000) 12.907 5.359 ( 0.000 -5.081 0.000) 5.081 5.541 ( -0.000 4.481 -0.000) 4.481 5.954 ( 0.000 -14.251 0.000) 14.251 6.066 ( 0.000 -0.129 0.000) 0.129 6.184 ( 0.000 -6.819 0.000) 6.819 6.336 ( -0.000 16.681 -0.000) 16.681 6.488 ( -0.000 4.773 -0.000) 4.773 7.221 ( 0.000 -11.342 0.000) 11.342 7.308 ( -0.000 22.785 -0.000) 22.785 7.643 ( 0.000 -3.335 0.000) 3.335 7.701 ( -0.000 0.109 -0.000) 0.109 7.911 ( 0.000 -0.774 0.000) 0.774 8.002 ( -0.000 7.337 -0.000) 7.337 8.753 ( -0.000 2.816 -0.000) 2.816 8.838 ( -0.000 3.975 -0.000) 3.975 9.224 ( 0.000 -9.602 0.000) 9.602 9.527 ( 0.000 -4.173 0.000) 4.173 10.017 ( 0.000 -6.575 0.000) 6.575 10.126 ( -0.000 10.354 -0.000) 10.354 10.558 ( 0.000 -4.382 0.000) 4.382 11.076 ( -0.000 5.802 -0.000) 5.802 11.459 ( -0.000 12.533 -0.000) 12.533 12.114 ( -0.000 3.503 -0.000) 3.503 12.421 ( -0.000 2.233 -0.000) 2.233 12.778 ( 0.000 -18.056 0.000) 18.056 13.034 ( 0.000 -9.087 0.000) 9.087 13.527 ( 0.000 -5.869 0.000) 5.869 13.761 ( 0.000 -20.391 0.000) 20.391 14.099 ( 0.000 -2.495 0.000) 2.495 14.501 ( -0.000 6.872 -0.000) 6.872 14.796 ( -0.000 6.604 -0.000) 6.604 15.771 ( -0.000 9.828 -0.000) 9.828 15.920 ( 0.000 -10.416 0.000) 10.416 16.654 ( 0.000 -0.136 0.000) 0.136 16.829 ( -0.000 10.557 -0.000) 10.557 17.310 ( -0.000 13.088 -0.000) 13.088 17.684 ( -0.000 7.629 -0.000) 7.629 18.088 ( 0.000 -14.639 0.000) 14.639 18.148 ( 0.000 -12.056 0.000) 12.056 18.522 ( 0.000 -14.766 0.000) 14.766 18.826 ( -0.000 4.703 -0.000) 4.703 19.109 ( -0.000 4.078 -0.000) 4.078 21.416 ( -0.000 6.715 -0.000) 6.715 21.822 ( -0.000 1.750 -0.000) 1.750 22.314 ( 0.000 -4.827 0.000) 4.827 22.627 ( 0.000 -21.042 0.000) 21.042 24.541 ( -0.000 2.481 -0.000) 2.481 24.955 ( -0.000 5.482 -0.000) 5.482 25.168 ( 0.000 -6.509 0.000) 6.509 25.697 ( -0.000 1.281 -0.000) 1.281 26.610 ( -0.000 4.205 -0.000) 4.205 26.815 ( -0.000 3.703 -0.000) 3.703 27.908 ( -0.000 1.064 -0.000) 1.064 28.176 ( -0.000 8.708 -0.000) 8.708 28.602 ( -0.000 1.742 -0.000) 1.742 29.509 ( 0.000 -12.459 0.000) 12.459 ======================= Grid point 45 (28/141) ======================= q-point: ( 0.40 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -5.239 -0.000 -2.759) 5.921 2.933 ( 12.058 0.000 5.884) 13.417 3.044 ( -2.114 -0.000 -14.912) 15.061 3.332 ( 0.202 0.000 -3.185) 3.191 3.603 ( -3.137 -0.000 9.334) 9.847 3.750 ( 2.823 0.000 4.578) 5.378 4.143 ( 21.691 0.000 3.755) 22.014 4.282 ( 1.982 0.000 3.838) 4.319 4.470 ( 29.747 0.000 2.131) 29.823 5.209 ( 0.245 0.000 0.293) 0.382 5.324 ( -8.215 -0.000 8.956) 12.153 5.673 ( 1.002 0.000 -4.730) 4.835 5.702 ( -12.192 -0.000 -12.880) 17.735 5.863 ( 7.122 0.000 1.983) 7.393 6.062 ( 2.515 0.000 -9.627) 9.950 6.521 ( 11.306 0.000 14.553) 18.429 6.746 ( -14.278 -0.000 2.322) 14.466 6.921 ( -0.506 -0.000 -9.364) 9.378 7.123 ( 9.836 0.000 -8.564) 13.042 7.306 ( 8.149 0.000 4.664) 9.389 8.186 ( 0.733 0.000 -2.225) 2.343 8.259 ( -2.532 -0.000 0.927) 2.696 8.589 ( 5.188 0.000 2.001) 5.560 8.793 ( 1.229 0.000 18.079) 18.121 9.026 ( -1.406 -0.000 -10.381) 10.476 9.461 ( -7.522 -0.000 0.573) 7.544 9.590 ( -17.639 -0.000 -2.966) 17.886 10.084 ( -2.956 -0.000 9.423) 9.876 10.290 ( -1.595 -0.000 4.355) 4.638 10.722 ( 6.796 0.000 -1.097) 6.884 11.337 ( -11.650 -0.000 -6.219) 13.206 11.650 ( 10.634 0.000 3.804) 11.294 11.744 ( 13.383 0.000 -15.014) 20.113 12.188 ( 22.817 0.000 -1.285) 22.854 12.656 ( -11.415 -0.000 0.649) 11.433 12.865 ( -26.092 -0.000 1.493) 26.135 12.983 ( -21.222 -0.000 0.165) 21.222 13.596 ( -6.406 -0.000 2.775) 6.981 14.100 ( -5.396 -0.000 2.424) 5.915 14.509 ( 6.675 0.000 0.247) 6.679 15.117 ( 7.866 0.000 0.336) 7.873 15.503 ( 2.775 0.000 -10.969) 11.315 16.247 ( 15.806 0.000 -3.944) 16.291 16.820 ( 0.317 0.000 11.344) 11.348 17.049 ( -7.906 -0.000 19.054) 20.629 17.196 ( -9.430 -0.000 -3.252) 9.975 17.315 ( 10.404 0.000 1.436) 10.502 17.884 ( -1.785 -0.000 -2.409) 2.998 18.017 ( 2.407 0.000 -10.277) 10.555 18.122 ( 6.405 0.000 -10.424) 12.235 19.071 ( 2.151 0.000 7.450) 7.754 19.144 ( -6.530 -0.000 -3.064) 7.213 21.695 ( 1.602 0.000 10.057) 10.184 21.728 ( -3.122 -0.000 -3.455) 4.657 21.987 ( 7.524 0.000 12.615) 14.689 22.314 ( -8.995 -0.000 -18.474) 20.548 24.677 ( -2.014 -0.000 2.877) 3.512 24.955 ( -2.752 -0.000 0.064) 2.753 25.260 ( -4.880 -0.000 -5.749) 7.541 25.604 ( 4.251 0.000 5.522) 6.969 26.646 ( 2.969 0.000 -1.869) 3.508 27.039 ( -3.849 -0.000 0.212) 3.855 27.941 ( -0.109 -0.000 1.025) 1.031 28.528 ( 3.313 0.000 -1.865) 3.802 28.616 ( 4.103 0.000 -2.367) 4.737 29.028 ( -1.830 -0.000 4.074) 4.466 ======================= Grid point 46 (29/141) ======================= q-point: (-0.50 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -6.904 -6.610 -2.775) 9.952 2.954 ( -0.194 2.198 -7.665) 7.976 3.148 ( 9.016 -5.350 4.509) 11.412 3.324 ( -0.908 -1.323 -2.433) 2.915 3.595 ( -2.035 3.586 6.309) 7.537 3.756 ( 3.077 7.731 3.109) 8.883 4.324 ( 5.929 -2.001 -3.910) 7.379 4.465 ( 12.412 -0.370 11.338) 16.815 4.855 ( 20.583 2.864 0.591) 20.790 5.181 ( -2.150 0.965 -3.950) 4.600 5.261 ( -8.871 -1.139 2.308) 9.237 5.410 ( -3.539 1.486 -7.816) 8.708 5.661 ( -6.766 -2.859 2.586) 7.788 5.933 ( 4.737 -0.975 1.642) 5.107 6.191 ( 7.436 -9.654 -9.507) 15.456 6.457 ( -11.188 12.848 1.172) 17.077 6.721 ( 1.224 2.514 11.916) 12.240 6.914 ( 2.576 0.001 -8.907) 9.272 7.127 ( 11.255 -2.093 0.050) 11.448 7.512 ( -5.883 -11.296 -1.443) 12.817 8.155 ( 0.252 3.786 -2.043) 4.309 8.315 ( 0.316 -9.525 1.022) 9.584 8.680 ( 8.879 12.784 7.372) 17.222 8.789 ( 5.816 6.711 8.652) 12.398 8.937 ( -2.075 4.703 -8.452) 9.892 9.244 ( -18.513 5.580 -5.829) 20.195 9.417 ( -6.205 -0.699 1.011) 6.325 10.082 ( 2.255 11.645 4.893) 12.830 10.262 ( 3.631 -0.565 8.137) 8.928 10.802 ( -8.064 4.625 -3.160) 9.818 11.234 ( -0.950 -17.100 -2.041) 17.248 11.561 ( 9.946 23.534 -10.265) 27.534 11.948 ( 13.843 -3.668 4.280) 14.947 12.441 ( -7.975 4.875 -4.055) 10.189 12.587 ( 4.170 -12.474 -3.029) 13.497 12.710 ( -14.934 -13.473 4.238) 20.555 12.738 ( -9.668 -9.334 0.298) 13.442 13.570 ( -4.480 -4.336 3.815) 7.309 14.020 ( -3.237 3.569 -0.296) 4.827 14.593 ( 5.462 0.389 0.996) 5.566 15.141 ( 0.907 5.763 -2.250) 6.253 15.528 ( 1.610 -6.845 -5.767) 9.094 16.368 ( 12.447 14.158 -1.263) 18.894 16.791 ( -4.281 8.670 0.269) 9.673 16.972 ( -5.950 -0.321 12.998) 14.299 17.231 ( 2.387 -15.121 3.400) 15.681 17.505 ( 1.364 -11.489 0.274) 11.573 17.843 ( 0.254 6.552 -7.173) 9.719 17.940 ( 7.067 5.679 3.558) 9.739 18.206 ( -3.466 -9.147 -9.919) 13.931 19.032 ( -4.258 2.942 -0.890) 5.251 19.142 ( 1.805 -0.915 3.459) 4.007 21.658 ( -1.973 3.567 -0.942) 4.184 21.772 ( 1.936 -1.098 6.804) 7.159 22.112 ( 2.176 -1.160 -3.697) 4.444 22.189 ( -3.068 -5.998 -1.321) 6.866 24.654 ( -1.447 1.741 1.245) 2.583 24.945 ( -0.490 -2.157 1.399) 2.617 25.164 ( -3.778 1.205 -4.733) 6.174 25.678 ( 2.555 -0.275 2.982) 3.937 26.670 ( 1.745 0.613 -0.729) 1.988 26.981 ( -2.148 2.106 -0.293) 3.022 27.941 ( -0.083 0.433 0.518) 0.680 28.509 ( 1.554 6.679 -0.628) 6.886 28.649 ( 2.202 0.558 -1.400) 2.668 29.074 ( -0.836 -7.446 2.042) 7.766 ======================= Grid point 47 (30/141) ======================= q-point: (-0.40 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.000 -9.581 0.000) 9.581 2.898 ( -0.000 3.544 -0.000) 3.544 3.295 ( -0.000 5.434 -0.000) 5.434 3.336 ( 0.000 -9.081 0.000) 9.081 3.513 ( -0.000 6.512 -0.000) 6.512 3.659 ( -0.000 12.565 -0.000) 12.565 4.401 ( 0.000 -3.942 0.000) 3.942 4.600 ( -0.000 0.907 -0.000) 0.907 4.793 ( -0.000 10.039 -0.000) 10.039 5.141 ( -0.000 3.254 -0.000) 3.254 5.375 ( 0.000 -15.993 0.000) 15.993 5.376 ( -0.000 2.538 -0.000) 2.538 5.666 ( 0.000 -5.681 0.000) 5.681 6.038 ( 0.000 -3.544 0.000) 3.544 6.177 ( -0.000 12.698 -0.000) 12.698 6.355 ( 0.000 -10.985 0.000) 10.985 6.645 ( -0.000 8.497 -0.000) 8.497 6.950 ( 0.000 -4.689 0.000) 4.689 7.392 ( 0.000 -14.158 0.000) 14.158 7.477 ( 0.000 -2.452 0.000) 2.452 8.082 ( -0.000 6.809 -0.000) 6.809 8.319 ( -0.000 23.118 -0.000) 23.118 8.620 ( -0.000 26.336 -0.000) 26.336 8.663 ( 0.000 -3.287 0.000) 3.287 8.921 ( -0.000 1.800 -0.000) 1.800 8.990 ( 0.000 -1.992 0.000) 1.992 9.394 ( 0.000 -4.195 0.000) 4.195 9.986 ( -0.000 5.452 -0.000) 5.452 10.337 ( -0.000 2.818 -0.000) 2.818 10.602 ( -0.000 6.770 -0.000) 6.770 11.333 ( -0.000 17.387 -0.000) 17.387 11.480 ( 0.000 -13.819 0.000) 13.819 12.214 ( -0.000 4.710 -0.000) 4.710 12.241 ( 0.000 -8.851 0.000) 8.851 12.619 ( 0.000 -0.774 0.000) 0.774 12.670 ( 0.000 -11.825 0.000) 11.825 13.105 ( 0.000 -29.066 0.000) 29.066 13.578 ( -0.000 1.112 -0.000) 1.112 13.967 ( 0.000 -1.564 0.000) 1.564 14.637 ( -0.000 1.448 -0.000) 1.448 15.017 ( -0.000 9.569 -0.000) 9.569 15.645 ( 0.000 -10.176 0.000) 10.176 16.187 ( -0.000 21.730 -0.000) 21.730 16.686 ( -0.000 2.874 -0.000) 2.874 16.979 ( -0.000 0.775 -0.000) 0.775 17.533 ( 0.000 -19.592 0.000) 19.592 17.601 ( -0.000 3.582 -0.000) 3.582 17.768 ( 0.000 -8.496 0.000) 8.496 17.972 ( -0.000 6.612 -0.000) 6.612 18.229 ( 0.000 -9.598 0.000) 9.598 18.949 ( -0.000 4.420 -0.000) 4.420 19.170 ( -0.000 0.394 -0.000) 0.394 21.579 ( -0.000 5.601 -0.000) 5.601 21.828 ( 0.000 -1.067 0.000) 1.067 22.134 ( 0.000 -6.850 0.000) 6.850 22.280 ( 0.000 -7.337 0.000) 7.337 24.613 ( -0.000 2.920 -0.000) 2.920 25.007 ( 0.000 -5.501 0.000) 5.501 25.082 ( -0.000 3.928 -0.000) 3.928 25.707 ( 0.000 -0.173 0.000) 0.173 26.669 ( -0.000 1.199 -0.000) 1.199 26.928 ( -0.000 3.707 -0.000) 3.707 27.933 ( -0.000 0.792 -0.000) 0.792 28.412 ( -0.000 9.108 -0.000) 9.108 28.646 ( -0.000 1.484 -0.000) 1.484 29.199 ( 0.000 -11.077 0.000) 11.077 ======================= Grid point 57 (31/141) ======================= q-point: (-0.50 0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 -0.000 0.000) 0.000 2.946 ( 0.000 -0.000 0.000) 0.000 3.191 ( 0.000 -0.000 0.000) 0.000 3.300 ( 0.000 -0.000 0.000) 0.000 3.626 ( 0.000 -0.000 0.000) 0.000 3.831 ( 0.000 -0.000 0.000) 0.000 4.331 ( 0.000 -0.000 0.000) 0.000 4.629 ( 0.000 -0.000 0.000) 0.000 5.103 ( 0.000 -0.000 0.000) 0.000 5.175 ( -0.000 0.000 -0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.272 ( 0.000 -0.000 0.000) 0.000 5.582 ( 0.000 -0.000 0.000) 0.000 5.896 ( 0.000 -0.000 0.000) 0.000 6.284 ( -0.000 0.000 -0.000) 0.000 6.402 ( 0.000 -0.000 0.000) 0.000 6.825 ( 0.000 -0.000 0.000) 0.000 6.882 ( 0.000 -0.000 0.000) 0.000 7.170 ( 0.000 -0.000 0.000) 0.000 7.420 ( 0.000 -0.000 0.000) 0.000 8.177 ( 0.000 -0.000 0.000) 0.000 8.242 ( -0.000 0.000 -0.000) 0.000 8.870 ( 0.000 -0.000 0.000) 0.000 8.938 ( 0.000 -0.000 0.000) 0.000 8.957 ( 0.000 -0.000 0.000) 0.000 9.031 ( 0.000 -0.000 0.000) 0.000 9.392 ( 0.000 -0.000 0.000) 0.000 10.219 ( 0.000 -0.000 0.000) 0.000 10.315 ( 0.000 -0.000 0.000) 0.000 10.839 ( 0.000 -0.000 0.000) 0.000 10.986 ( -0.000 0.000 -0.000) 0.000 11.879 ( 0.000 -0.000 0.000) 0.000 11.991 ( -0.000 0.000 -0.000) 0.000 12.303 ( 0.000 -0.000 0.000) 0.000 12.527 ( -0.000 0.000 -0.000) 0.000 12.544 ( 0.000 -0.000 0.000) 0.000 12.624 ( -0.000 0.000 -0.000) 0.000 13.516 ( 0.000 -0.000 0.000) 0.000 14.026 ( 0.000 -0.000 0.000) 0.000 14.631 ( 0.000 -0.000 0.000) 0.000 15.196 ( 0.000 -0.000 0.000) 0.000 15.463 ( 0.000 -0.000 0.000) 0.000 16.674 ( 0.000 -0.000 0.000) 0.000 16.755 ( 0.000 -0.000 0.000) 0.000 16.940 ( -0.000 0.000 -0.000) 0.000 17.101 ( 0.000 -0.000 0.000) 0.000 17.428 ( 0.000 -0.000 0.000) 0.000 17.949 ( -0.000 0.000 -0.000) 0.000 17.988 ( 0.000 -0.000 0.000) 0.000 18.089 ( 0.000 -0.000 0.000) 0.000 19.019 ( 0.000 -0.000 0.000) 0.000 19.158 ( 0.000 -0.000 0.000) 0.000 21.669 ( 0.000 -0.000 0.000) 0.000 21.797 ( 0.000 -0.000 0.000) 0.000 22.051 ( 0.000 -0.000 0.000) 0.000 22.179 ( 0.000 -0.000 0.000) 0.000 24.662 ( 0.000 -0.000 0.000) 0.000 24.923 ( 0.000 -0.000 0.000) 0.000 25.136 ( 0.000 -0.000 0.000) 0.000 25.702 ( 0.000 -0.000 0.000) 0.000 26.685 ( 0.000 -0.000 0.000) 0.000 26.977 ( 0.000 -0.000 0.000) 0.000 27.944 ( 0.000 -0.000 0.000) 0.000 28.568 ( 0.000 -0.000 0.000) 0.000 28.667 ( 0.000 -0.000 0.000) 0.000 29.017 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.446 0.000 36.880) 36.883 0.892 ( 0.406 0.000 40.209) 40.211 1.727 ( -14.342 -0.000 74.909) 76.270 2.906 ( -3.877 -0.000 -12.128) 12.733 2.910 ( -6.328 -0.000 -5.957) 8.691 3.181 ( 6.043 0.000 -10.093) 11.764 3.397 ( -5.021 -0.000 -11.824) 12.846 3.642 ( 5.601 0.000 -4.294) 7.058 3.722 ( 1.199 0.000 -3.653) 3.845 4.747 ( 11.573 0.000 -10.476) 15.611 4.751 ( -2.804 -0.000 15.569) 15.820 5.025 ( -13.432 -0.000 13.636) 19.140 5.957 ( 5.045 0.000 -10.210) 11.389 6.303 ( 9.973 0.000 -3.123) 10.451 6.509 ( 0.857 0.000 -6.033) 6.094 6.542 ( 5.776 0.000 -0.064) 5.777 7.204 ( -13.018 -0.000 -17.236) 21.600 7.352 ( -7.561 -0.000 -0.273) 7.566 7.633 ( -5.557 -0.000 2.145) 5.956 8.205 ( 0.855 0.000 13.268) 13.295 8.223 ( 31.324 0.000 -11.248) 33.283 8.738 ( -28.116 -0.000 -0.838) 28.129 8.838 ( -28.538 -0.000 5.899) 29.141 9.175 ( 10.334 0.000 7.592) 12.823 9.344 ( -1.967 -0.000 3.304) 3.845 9.359 ( 9.364 0.000 -1.381) 9.466 9.536 ( -11.282 -0.000 1.038) 11.329 9.678 ( 14.082 0.000 -2.812) 14.360 10.218 ( 2.240 0.000 7.271) 7.608 10.459 ( 6.537 0.000 -9.129) 11.228 10.680 ( 1.134 0.000 -6.101) 6.206 11.200 ( 7.486 0.000 8.025) 10.975 11.317 ( -0.233 -0.000 -4.861) 4.866 11.903 ( -0.868 -0.000 -5.033) 5.107 12.937 ( 0.043 0.000 9.609) 9.609 13.600 ( -7.629 -0.000 -1.756) 7.829 14.054 ( 9.625 0.000 -1.412) 9.728 14.252 ( -2.095 -0.000 -3.268) 3.881 15.067 ( 26.178 0.000 4.514) 26.564 15.186 ( 5.888 0.000 1.398) 6.052 15.266 ( -8.559 -0.000 2.829) 9.015 15.493 ( 0.437 0.000 0.120) 0.453 15.574 ( -11.991 -0.000 -6.041) 13.426 15.661 ( -6.559 -0.000 -1.502) 6.728 16.270 ( 5.097 0.000 3.363) 6.107 16.689 ( -33.151 -0.000 -7.565) 34.004 16.954 ( 0.441 0.000 1.251) 1.327 16.975 ( -14.525 -0.000 3.360) 14.909 18.509 ( 3.990 0.000 0.037) 3.990 18.706 ( -1.694 -0.000 -3.899) 4.251 18.902 ( -4.077 -0.000 7.719) 8.730 19.372 ( 2.122 0.000 -2.417) 3.216 21.219 ( -1.285 -0.000 2.926) 3.195 21.507 ( -1.253 -0.000 -3.003) 3.254 23.768 ( -8.127 -0.000 -1.377) 8.243 23.875 ( 12.186 0.000 -4.787) 13.092 24.478 ( 7.475 0.000 1.788) 7.686 24.523 ( -10.938 -0.000 1.836) 11.091 25.306 ( 1.181 0.000 1.990) 2.314 25.451 ( -0.873 -0.000 -1.024) 1.345 26.686 ( 51.920 0.000 2.410) 51.976 26.855 ( -6.158 -0.000 -1.222) 6.278 27.847 ( -1.124 -0.000 4.440) 4.580 28.367 ( -0.628 -0.000 -8.561) 8.584 28.686 ( 7.526 0.000 5.696) 9.438 28.931 ( -48.888 -0.000 -1.633) 48.915 ======================= Grid point 104 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 9.897 -10.319 31.787) 34.855 1.286 ( 10.705 -9.238 36.745) 39.372 2.256 ( 10.119 -25.724 55.016) 61.570 2.730 ( -0.273 2.002 -12.633) 12.794 2.918 ( -2.558 -9.944 -16.085) 19.083 3.213 ( 1.159 -1.748 -9.489) 9.718 3.403 ( 4.484 -11.873 -5.701) 13.913 3.718 ( 0.166 -2.105 -2.846) 3.544 3.873 ( 11.823 -15.160 -1.627) 19.294 4.770 ( -3.428 -0.211 9.776) 10.361 4.791 ( -4.470 -2.770 -3.996) 6.605 5.082 ( 10.268 -4.071 7.642) 13.431 5.936 ( 0.409 3.710 -9.030) 9.771 6.308 ( 1.261 6.527 -2.565) 7.126 6.462 ( -0.927 4.295 1.705) 4.713 6.602 ( 2.276 -2.066 -9.088) 9.594 6.879 ( -16.921 0.724 -10.493) 19.924 7.186 ( -14.519 2.852 1.186) 14.844 7.483 ( -5.016 8.372 4.235) 10.639 8.024 ( -31.061 14.236 26.905) 43.489 8.276 ( -3.935 0.862 12.524) 13.156 8.419 ( 9.587 9.431 -9.282) 16.340 8.641 ( 1.203 8.267 -6.627) 10.663 9.262 ( -11.705 -2.928 6.721) 13.811 9.297 ( 4.870 -3.181 1.925) 6.127 9.476 ( 7.508 3.137 2.193) 8.428 9.555 ( 0.748 6.861 -2.989) 7.521 9.896 ( 16.576 -16.048 -4.032) 23.422 10.232 ( 0.464 25.690 -4.580) 26.099 10.327 ( 2.413 -1.895 6.554) 7.236 10.748 ( 4.041 -7.477 -1.305) 8.599 11.239 ( -1.127 0.026 -10.256) 10.318 11.418 ( 0.011 -11.206 6.786) 13.101 11.852 ( -5.564 -2.256 -6.737) 9.024 13.088 ( 8.360 -3.965 11.256) 14.571 13.490 ( -3.253 1.190 -2.510) 4.278 14.117 ( -2.489 7.720 -4.358) 9.208 14.315 ( 9.742 -10.397 -0.962) 14.280 14.767 ( -11.439 29.271 2.495) 31.525 15.023 ( -0.953 22.129 8.052) 23.568 15.299 ( 1.753 11.662 5.983) 13.224 15.453 ( -6.323 2.301 -1.818) 6.970 15.520 ( -10.979 -25.651 -1.105) 27.924 15.828 ( 10.768 -18.355 -2.243) 21.399 16.527 ( -4.281 -5.928 -2.744) 7.810 16.803 ( 11.847 -20.998 -14.180) 27.970 16.965 ( -1.227 -3.680 2.414) 4.569 17.045 ( 10.029 -21.892 -4.655) 24.526 18.484 ( -6.795 2.552 2.527) 7.685 18.629 ( -3.775 0.824 -5.264) 6.530 18.930 ( 2.386 -0.390 5.783) 6.268 19.376 ( 3.303 3.787 -1.757) 5.323 21.237 ( 1.586 -0.088 3.839) 4.155 21.472 ( -3.155 -2.450 1.029) 4.125 23.414 ( -12.840 11.779 5.453) 18.258 23.686 ( -20.546 15.210 -3.729) 25.834 24.526 ( 6.793 0.559 -0.372) 6.826 24.718 ( 14.501 -1.829 -0.125) 14.617 25.356 ( -1.050 -3.332 1.797) 3.929 25.454 ( -0.324 -4.583 -1.274) 4.768 26.749 ( -5.297 0.730 -5.130) 7.410 27.110 ( 31.176 24.946 -3.531) 40.084 27.863 ( -1.195 -1.420 4.862) 5.204 28.066 ( -11.217 11.532 12.739) 20.521 28.532 ( -6.033 -6.544 0.991) 8.956 29.072 ( -6.345 -28.726 -9.407) 30.886 ======================= Grid point 105 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 13.343 -12.871 25.709) 31.696 1.781 ( 18.634 -10.596 29.222) 36.241 2.648 ( 0.258 -4.617 -16.719) 17.347 2.887 ( -0.550 -15.219 -7.759) 17.092 3.060 ( 10.503 -9.408 18.079) 22.927 3.277 ( 3.622 -17.614 -3.146) 18.256 3.647 ( 6.352 -8.935 0.524) 10.975 3.757 ( 0.476 -8.997 -0.077) 9.010 4.285 ( 8.364 -22.791 2.116) 24.369 4.721 ( -6.298 -1.127 9.468) 11.428 4.800 ( 3.824 -2.853 -6.297) 7.901 5.325 ( 7.503 -0.142 -2.186) 7.816 5.750 ( -7.219 7.225 -4.307) 11.084 6.191 ( -4.127 5.436 -4.574) 8.216 6.438 ( -1.099 -2.425 3.800) 4.640 6.539 ( 8.200 6.275 -14.111) 17.486 6.708 ( -16.626 -8.822 6.141) 19.798 7.029 ( -6.834 -0.490 2.336) 7.239 7.290 ( -9.783 6.912 2.898) 12.324 7.690 ( -9.565 11.364 12.256) 19.257 8.259 ( -3.361 4.114 12.850) 13.904 8.376 ( 3.221 3.612 -4.051) 6.311 8.496 ( 6.392 16.978 -7.785) 19.741 9.185 ( -10.370 -1.123 8.153) 13.239 9.377 ( -7.588 6.951 -1.573) 10.410 9.414 ( 8.852 3.877 -4.008) 10.462 9.483 ( 2.262 9.598 -0.944) 9.906 9.951 ( 2.091 9.709 0.935) 9.975 10.350 ( 18.260 -8.703 -8.017) 21.759 10.422 ( 2.932 -3.809 10.756) 11.781 10.912 ( 3.696 -8.998 -1.000) 9.778 11.174 ( 2.285 1.885 -7.482) 8.047 11.560 ( -3.862 -12.768 -1.038) 13.379 11.757 ( -7.885 -4.758 -5.464) 10.708 13.289 ( 8.665 2.593 5.845) 10.769 13.527 ( 5.695 -5.604 3.447) 8.702 13.880 ( -6.794 15.058 -5.487) 17.407 14.212 ( -13.764 21.432 1.486) 25.514 14.623 ( 7.471 -9.825 0.251) 12.345 14.781 ( -9.087 11.411 13.641) 19.972 15.248 ( 10.576 16.807 -3.521) 20.167 15.321 ( -2.678 1.922 -0.914) 3.421 15.707 ( -10.767 -27.675 -1.594) 29.738 16.126 ( 4.956 -9.662 2.419) 11.125 16.552 ( 1.995 -2.146 -3.711) 4.728 16.857 ( -1.615 1.574 -0.386) 2.288 17.030 ( -0.619 -6.492 1.799) 6.765 17.648 ( 16.906 -32.414 -15.204) 39.594 18.294 ( -10.786 7.051 2.062) 13.050 18.563 ( -2.844 -2.347 -4.916) 6.145 19.011 ( 3.892 -0.512 3.515) 5.269 19.349 ( 3.404 5.894 -1.624) 6.998 21.294 ( 2.856 -0.052 4.787) 5.574 21.496 ( -0.428 -2.654 3.194) 4.175 22.992 ( -30.038 9.056 -6.822) 32.107 23.334 ( -2.392 10.959 6.567) 12.998 24.631 ( 8.771 0.731 1.319) 8.900 24.848 ( 8.797 4.727 -0.476) 9.998 25.336 ( -5.137 -1.028 -0.349) 5.251 25.550 ( 1.330 -7.005 -0.660) 7.160 26.648 ( -3.853 -0.163 -6.921) 7.923 27.063 ( 9.602 21.539 6.145) 24.370 27.911 ( 0.499 -2.713 4.287) 5.098 27.978 ( -1.042 2.411 6.001) 6.551 28.575 ( -1.688 -7.363 -1.031) 7.624 29.217 ( -3.003 -12.079 -8.240) 14.927 ======================= Grid point 106 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 17.233 -10.861 17.576) 26.904 2.381 ( 22.686 -14.661 22.798) 35.346 2.631 ( -1.864 -7.717 -11.761) 14.190 2.952 ( -1.261 -10.077 -14.816) 17.962 3.266 ( 5.363 -4.809 5.301) 8.944 3.554 ( 0.535 -6.528 -1.556) 6.732 3.722 ( 2.949 1.461 0.407) 3.317 4.044 ( 2.091 -22.541 2.342) 22.759 4.481 ( -8.733 -7.689 10.096) 15.405 4.808 ( 8.701 1.788 -9.265) 12.835 4.995 ( -7.304 1.424 2.326) 7.797 5.139 ( 5.679 -7.631 -2.403) 9.811 5.620 ( -9.417 -1.884 1.528) 9.724 6.056 ( -0.873 5.121 -9.406) 10.746 6.448 ( -1.186 -2.224 0.189) 2.528 6.622 ( -10.482 -6.437 12.547) 17.571 6.653 ( -0.999 0.452 -7.535) 7.614 6.911 ( 0.631 3.917 12.856) 13.454 7.354 ( 9.680 -18.350 -8.679) 22.489 7.505 ( -3.035 11.132 6.675) 13.330 8.210 ( -4.155 6.965 11.323) 13.928 8.298 ( 8.200 22.577 -7.329) 25.113 8.383 ( 3.958 1.607 -0.733) 4.334 9.008 ( -8.101 13.504 6.632) 17.087 9.175 ( -8.784 3.497 -2.539) 9.789 9.310 ( 3.687 6.231 -7.668) 10.546 9.524 ( -3.455 -6.626 3.557) 8.276 9.970 ( 8.074 5.218 1.110) 9.677 10.404 ( 2.055 4.774 0.453) 5.217 10.627 ( -0.568 -3.148 3.899) 5.043 10.912 ( -0.757 8.683 -6.737) 11.016 11.389 ( 17.917 -15.564 -0.063) 23.733 11.636 ( -2.433 -10.041 -5.629) 11.766 11.756 ( -4.244 -14.248 -7.548) 16.673 13.342 ( 0.726 13.642 -12.394) 18.446 13.420 ( -0.796 13.072 8.116) 15.408 13.819 ( -3.336 -6.049 9.649) 11.867 13.866 ( 1.932 12.896 -0.195) 13.042 14.426 ( -21.140 8.123 4.486) 23.086 14.969 ( 3.980 -13.013 12.308) 18.348 15.128 ( 8.770 10.646 -11.320) 17.844 15.336 ( 7.726 4.781 1.308) 9.180 15.908 ( -6.947 -24.987 -4.201) 26.273 16.229 ( -2.834 -0.268 6.970) 7.528 16.581 ( 2.963 1.210 -2.660) 4.161 16.803 ( -2.257 1.229 -0.914) 2.727 17.124 ( 1.016 -6.044 1.688) 6.357 17.875 ( -13.087 3.763 2.471) 13.839 18.285 ( 10.120 -16.244 -9.204) 21.237 18.573 ( 1.987 -5.476 -5.085) 7.733 19.059 ( 1.508 2.101 1.609) 3.046 19.320 ( 3.839 4.198 -2.135) 6.076 21.364 ( 3.809 0.933 6.412) 7.516 21.537 ( 0.901 -0.618 0.866) 1.394 22.442 ( -23.042 11.135 -4.375) 25.963 23.278 ( -3.745 -1.686 6.425) 7.626 24.756 ( 7.654 -0.590 1.605) 7.842 24.879 ( 8.011 7.136 -0.117) 10.729 25.252 ( -7.406 -0.377 -1.501) 7.566 25.627 ( 0.609 -3.896 -2.077) 4.457 26.579 ( -2.719 -1.685 -6.411) 7.165 26.949 ( 2.962 14.029 5.972) 15.532 27.966 ( -1.063 -1.112 3.753) 4.056 27.983 ( 2.181 1.042 3.722) 4.438 28.649 ( -0.252 -7.009 -2.755) 7.535 29.244 ( -1.454 -3.286 -4.437) 5.710 ======================= Grid point 107 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 9.961 -5.022 4.251) 11.938 2.703 ( 3.369 -15.018 5.006) 16.185 2.959 ( 2.337 -4.134 -3.865) 6.123 3.038 ( 21.564 -12.212 10.466) 26.901 3.373 ( 0.609 6.319 -0.106) 6.349 3.512 ( -4.892 -5.931 0.630) 7.714 3.735 ( 3.512 2.428 -2.428) 4.911 4.241 ( -4.942 -10.629 -5.040) 12.760 4.426 ( -13.780 10.141 -2.064) 17.233 4.706 ( -3.985 -4.073 7.590) 9.491 4.821 ( 9.202 5.424 -10.681) 15.105 5.292 ( -11.901 -0.848 6.188) 13.440 5.810 ( 6.066 -20.882 -2.660) 21.907 5.891 ( -0.846 10.779 -9.972) 14.709 6.512 ( 1.107 -9.311 -6.077) 11.173 6.535 ( -5.731 -3.173 12.537) 14.145 6.660 ( -6.683 -12.404 13.911) 19.800 7.040 ( 9.572 8.347 6.306) 14.180 7.229 ( -6.611 13.855 -1.554) 15.430 7.849 ( 4.994 -3.358 1.200) 6.136 7.976 ( 4.029 9.996 1.519) 10.883 8.264 ( 10.478 -5.438 -1.648) 11.920 8.418 ( 3.285 2.192 1.818) 4.347 8.820 ( -3.721 4.643 -1.588) 6.158 8.980 ( -7.700 6.492 -1.937) 10.256 9.323 ( 7.894 1.224 -3.018) 8.539 9.550 ( -9.347 -9.490 2.010) 13.471 9.944 ( 0.026 12.507 0.199) 12.509 10.340 ( -0.557 7.129 4.371) 8.381 10.553 ( -5.929 2.256 -1.726) 6.574 10.768 ( -1.356 6.637 -0.175) 6.777 11.623 ( 3.319 -2.807 -6.920) 8.172 11.881 ( 1.677 -14.378 -12.744) 19.286 11.981 ( 18.696 -21.160 -0.455) 28.240 12.939 ( -10.636 11.240 -6.814) 16.908 13.490 ( 8.094 15.334 2.986) 17.594 13.616 ( 1.284 8.231 6.444) 10.532 13.965 ( -15.008 -3.215 1.788) 15.453 14.081 ( -7.671 1.469 4.031) 8.789 15.001 ( 2.763 6.950 -3.561) 8.284 15.288 ( 7.247 -4.139 1.983) 8.578 15.433 ( 4.156 -8.163 4.345) 10.138 16.122 ( -0.477 -10.693 -1.942) 10.879 16.144 ( -7.633 -2.703 4.552) 9.289 16.574 ( 2.797 3.859 -1.013) 4.872 16.748 ( -1.608 3.317 -1.409) 3.946 17.230 ( 2.939 -4.578 2.088) 5.828 17.589 ( -13.234 9.551 3.743) 16.745 18.513 ( 0.741 -11.283 -3.808) 11.931 18.735 ( 9.292 -9.093 -7.137) 14.831 19.018 ( -0.204 5.102 0.810) 5.170 19.320 ( 2.586 1.406 -4.379) 5.276 21.434 ( 3.154 2.956 6.604) 7.893 21.535 ( 3.058 2.945 -4.151) 5.937 22.069 ( -13.452 4.631 2.265) 14.406 23.317 ( -5.564 -7.616 8.896) 12.965 24.835 ( 2.695 0.829 -1.885) 3.391 24.929 ( 11.152 5.956 2.104) 12.817 25.128 ( -8.256 0.185 -2.847) 8.734 25.654 ( 0.100 -2.007 -3.102) 3.697 26.545 ( -2.193 -2.762 -5.152) 6.243 26.855 ( 0.941 8.528 4.114) 9.515 27.967 ( -0.038 1.127 2.363) 2.618 28.027 ( 0.141 -0.934 4.698) 4.792 28.698 ( -0.958 -4.700 -6.310) 7.926 29.246 ( 1.339 -0.054 -0.069) 1.342 ======================= Grid point 108 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -1.476 -3.160 4.841) 5.967 2.879 ( -2.410 4.416 1.092) 5.148 2.952 ( -8.370 10.249 -3.804) 13.769 3.101 ( 1.251 -4.086 -1.118) 4.417 3.551 ( -1.814 -6.281 9.540) 11.566 3.669 ( 9.296 -4.468 14.341) 17.664 3.793 ( 17.722 -4.146 -8.358) 20.027 3.998 ( -3.601 14.744 -7.845) 17.085 4.302 ( -7.395 -5.438 3.780) 9.927 4.664 ( -5.008 6.144 -2.000) 8.175 4.908 ( 6.945 -1.186 -6.431) 9.540 5.240 ( -2.196 -7.566 3.017) 8.437 5.703 ( 2.959 6.979 -14.066) 15.978 5.913 ( -3.278 -1.715 -1.213) 3.893 6.586 ( -2.084 -6.471 -6.490) 9.399 6.631 ( -5.840 10.587 13.545) 18.156 6.782 ( -6.212 8.000 13.650) 16.998 7.044 ( -0.073 -7.210 10.559) 12.786 7.174 ( 5.868 -21.540 -2.925) 22.516 7.615 ( -0.667 16.714 11.636) 20.376 8.055 ( 5.533 -0.445 -8.433) 10.096 8.408 ( 0.722 6.791 1.116) 6.920 8.541 ( -5.763 8.339 -3.322) 10.667 8.723 ( -1.150 -13.197 -4.795) 14.088 8.907 ( 6.573 -2.190 1.224) 7.035 9.432 ( 8.922 1.688 -1.664) 9.231 9.564 ( -9.033 -11.900 0.244) 14.942 9.664 ( -7.919 11.841 2.107) 14.400 10.295 ( -0.721 2.982 2.138) 3.739 10.503 ( 1.428 -1.295 0.765) 2.074 10.688 ( -1.847 1.014 -2.586) 3.336 11.661 ( 3.900 -0.743 -5.419) 6.718 11.993 ( 5.904 -3.002 -14.837) 16.248 12.284 ( 0.445 1.028 -4.193) 4.340 12.905 ( 5.223 -17.892 0.783) 18.655 13.204 ( -5.062 18.691 2.550) 19.531 13.691 ( -15.664 -5.124 2.644) 16.692 13.789 ( 12.796 2.488 3.210) 13.425 14.089 ( -2.700 0.117 2.698) 3.819 14.938 ( 2.708 6.155 -3.651) 7.652 15.346 ( 3.658 3.357 -1.371) 5.150 15.659 ( -2.030 -16.333 5.078) 17.224 15.901 ( -16.079 8.222 9.666) 20.483 16.414 ( 12.653 -12.399 -7.060) 19.071 16.558 ( 1.929 4.388 -0.151) 4.795 16.642 ( -1.756 7.741 1.684) 8.114 17.335 ( -2.974 2.617 2.933) 4.929 17.364 ( 0.588 0.740 2.121) 2.322 18.614 ( 0.664 -4.860 -1.032) 5.012 18.872 ( 1.754 -4.260 -7.324) 8.652 18.996 ( 2.912 -0.082 2.343) 3.738 19.280 ( -1.014 2.410 -7.137) 7.601 21.384 ( -0.536 4.947 -7.891) 9.329 21.533 ( 2.689 7.371 7.948) 11.168 22.013 ( 2.049 -5.756 4.817) 7.780 23.398 ( -7.982 -10.275 12.947) 18.355 24.810 ( 2.221 5.622 -5.736) 8.333 24.957 ( -5.103 0.316 0.832) 5.180 25.074 ( 6.701 1.133 -1.219) 6.904 25.655 ( -0.254 -0.888 -3.417) 3.540 26.526 ( -2.382 -2.917 -4.826) 6.122 26.805 ( 0.558 3.665 3.172) 4.879 27.964 ( -0.229 0.906 2.104) 2.302 28.058 ( -1.089 -0.861 5.515) 5.687 28.670 ( -2.557 -1.274 -8.697) 9.154 29.295 ( 5.042 0.434 2.237) 5.533 ======================= Grid point 109 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -19.597 17.802 -4.018) 26.779 2.592 ( -19.629 11.370 9.260) 24.502 2.894 ( 5.728 1.323 7.306) 9.378 3.173 ( -1.094 -2.369 -0.499) 2.657 3.381 ( -11.539 9.381 -3.836) 15.358 3.707 ( -2.499 4.211 -4.163) 6.427 4.031 ( 10.271 -1.044 13.876) 17.296 4.181 ( 10.904 -4.997 -5.625) 13.248 4.266 ( 6.691 8.635 2.141) 11.132 4.493 ( -3.594 3.263 3.704) 6.106 4.898 ( 4.080 5.228 -8.641) 10.892 5.383 ( 6.866 -4.659 -4.218) 9.308 5.741 ( 9.164 -8.940 -14.815) 19.580 5.912 ( -2.296 -1.346 9.133) 9.513 6.138 ( -8.914 26.404 1.034) 27.887 6.588 ( -2.344 2.176 2.754) 4.220 6.811 ( -12.775 0.686 9.021) 15.654 7.050 ( -2.605 -7.264 9.085) 11.920 7.507 ( 4.927 -5.656 -1.314) 7.615 7.757 ( 7.863 -11.230 12.272) 18.399 8.026 ( -14.000 25.386 -5.831) 29.571 8.169 ( 7.527 -14.113 -7.050) 17.480 8.384 ( -0.722 4.254 3.816) 5.760 8.756 ( -8.132 -4.633 0.214) 9.362 9.074 ( 4.356 -5.568 -1.653) 7.260 9.381 ( -5.302 4.215 1.323) 6.901 9.519 ( 3.405 0.622 2.227) 4.116 9.763 ( -0.553 -16.115 -8.809) 18.374 10.248 ( -3.672 -0.937 0.580) 3.834 10.546 ( 1.829 5.461 0.533) 5.783 10.761 ( 5.664 -14.043 -0.167) 15.143 11.694 ( 5.183 1.751 -3.862) 6.697 11.874 ( -4.109 14.462 -9.217) 17.635 12.114 ( -7.337 10.561 -4.303) 13.561 12.948 ( 1.326 0.539 -3.859) 4.116 13.392 ( 1.194 -25.497 0.568) 25.532 13.647 ( 1.210 -7.316 5.147) 9.026 13.971 ( 5.332 3.272 8.262) 10.364 14.030 ( 2.941 1.324 -1.501) 3.558 14.860 ( -0.348 6.887 -3.010) 7.524 15.332 ( 2.310 3.359 -0.620) 4.124 15.613 ( -20.388 0.559 4.963) 20.990 15.838 ( 1.272 -9.212 1.121) 9.367 16.401 ( 0.890 20.287 4.993) 20.911 16.561 ( 4.964 4.438 -1.820) 6.903 16.741 ( 5.630 -11.728 -2.455) 13.239 17.201 ( -3.623 5.161 1.468) 6.475 17.528 ( 10.799 -4.707 2.364) 12.015 18.636 ( 0.870 2.508 1.063) 2.859 18.885 ( 0.369 -2.068 -7.188) 7.489 19.079 ( 0.798 -4.072 4.244) 5.935 19.162 ( -3.588 2.937 -8.595) 9.766 21.267 ( -0.217 4.804 -8.880) 10.098 21.487 ( -1.648 6.691 8.606) 11.025 22.272 ( 15.544 -9.400 3.169) 18.439 23.487 ( -10.749 -11.698 16.684) 23.038 24.692 ( -1.119 6.547 -7.860) 10.290 24.909 ( -3.577 -1.677 0.893) 4.050 25.166 ( 7.521 0.437 -1.092) 7.613 25.628 ( -0.803 1.177 -3.963) 4.211 26.494 ( -3.367 -2.472 -6.121) 7.411 26.811 ( 0.445 -0.548 3.564) 3.633 27.956 ( -0.681 1.270 2.195) 2.626 28.079 ( -2.509 -1.542 6.484) 7.121 28.588 ( -2.674 0.556 -8.413) 8.845 29.387 ( 8.347 1.721 1.606) 8.673 ======================= Grid point 110 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -21.313 20.772 1.819) 29.816 2.141 ( -27.553 16.483 14.518) 35.237 2.819 ( -14.074 9.701 -1.026) 17.124 3.110 ( -4.160 10.864 3.607) 12.179 3.248 ( 10.654 -0.164 -2.519) 10.949 3.582 ( -8.146 0.323 -1.273) 8.251 4.038 ( -5.699 13.016 7.433) 16.035 4.094 ( -7.886 14.795 -1.427) 16.826 4.232 ( 8.808 8.767 8.413) 15.007 4.601 ( 7.650 4.442 -9.347) 12.869 4.904 ( 4.796 0.556 1.333) 5.008 5.434 ( 1.248 2.637 -4.636) 5.477 5.730 ( 6.052 8.163 -1.493) 10.271 5.902 ( 5.712 -8.050 -2.548) 10.194 6.213 ( 6.901 -11.252 -2.234) 13.388 6.465 ( -20.773 15.556 2.793) 26.102 6.606 ( 6.354 -3.846 4.945) 8.923 7.213 ( -1.795 -9.234 12.320) 15.501 7.471 ( -8.533 16.204 -0.476) 18.320 7.761 ( 11.048 -7.847 0.127) 13.552 7.932 ( 3.539 0.187 2.341) 4.247 8.266 ( 4.140 7.473 -3.419) 9.202 8.618 ( -2.985 -29.202 6.916) 30.158 8.685 ( -4.996 -0.184 0.447) 5.019 9.173 ( 1.286 -6.509 -4.153) 7.827 9.331 ( -1.725 -4.034 1.353) 4.591 9.594 ( 1.379 -5.360 1.643) 5.773 9.825 ( -5.308 -8.973 -9.029) 13.791 10.251 ( 0.277 -3.387 -0.696) 3.469 10.450 ( -1.449 7.997 -2.676) 8.556 11.058 ( 4.693 -12.638 1.104) 13.527 11.456 ( -18.953 15.375 -0.269) 24.407 11.736 ( 5.394 1.513 -2.068) 5.972 11.834 ( 4.176 22.260 -7.562) 23.877 13.034 ( 1.631 -8.467 -6.083) 10.552 13.622 ( -0.449 -19.031 0.218) 19.038 13.763 ( -7.799 1.091 5.637) 9.685 14.038 ( 6.475 -5.969 6.972) 11.233 14.241 ( 16.143 -6.533 3.326) 17.729 14.705 ( -5.147 8.000 -2.860) 9.933 15.333 ( 0.621 0.193 1.425) 1.566 15.406 ( -14.845 -6.021 -0.666) 16.033 15.923 ( 3.761 3.968 -2.298) 5.931 16.185 ( 2.347 18.177 6.016) 19.290 16.543 ( 2.896 5.344 -2.619) 6.619 16.870 ( -0.648 -4.140 -0.049) 4.190 17.111 ( -0.253 6.219 1.124) 6.325 17.803 ( 15.107 -7.083 1.423) 16.745 18.607 ( 0.897 4.425 0.023) 4.515 18.823 ( -0.939 5.098 -7.379) 9.018 19.038 ( -3.667 1.413 -1.088) 4.078 19.187 ( -0.161 -8.347 -0.104) 8.349 21.171 ( -0.434 3.376 -5.092) 6.124 21.423 ( -1.521 5.543 6.749) 8.865 22.657 ( 18.342 -10.195 -1.271) 21.023 23.588 ( -9.250 -12.691 18.438) 24.219 24.568 ( -0.947 4.255 -5.146) 6.744 24.886 ( -3.955 -2.030 -0.811) 4.519 25.252 ( 6.083 0.193 -1.246) 6.212 25.557 ( -1.495 3.701 -4.457) 5.983 26.426 ( -5.066 -1.691 -8.214) 9.798 26.860 ( -0.410 -3.227 4.540) 5.585 27.931 ( -1.375 2.476 2.621) 3.859 28.102 ( -4.493 -4.164 7.475) 9.665 28.511 ( -0.894 0.772 -6.876) 6.977 29.492 ( 11.945 4.655 -0.248) 12.822 ======================= Grid point 111 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -19.201 21.017 12.604) 31.133 1.573 ( -30.600 19.009 13.442) 38.450 2.371 ( -21.859 25.566 22.173) 40.287 2.962 ( -7.630 2.894 4.891) 9.514 3.304 ( -0.602 -0.611 -16.646) 16.668 3.538 ( 3.039 4.465 5.542) 7.738 3.713 ( -6.163 19.243 -1.121) 20.236 3.835 ( -7.089 8.629 -0.424) 11.175 4.108 ( -0.442 22.004 -4.349) 22.434 4.564 ( 0.383 2.146 9.128) 9.385 4.848 ( -5.139 6.265 1.720) 8.283 5.436 ( -3.074 1.729 -1.328) 3.769 5.818 ( 11.114 -1.916 -9.748) 14.907 6.056 ( -2.438 5.974 -6.417) 9.100 6.149 ( 9.230 -6.799 4.299) 12.244 6.368 ( 7.012 -2.699 -0.259) 7.518 6.911 ( 7.889 -15.313 9.272) 19.563 7.282 ( 2.494 3.327 2.570) 4.888 7.330 ( -3.216 -4.781 8.503) 10.272 7.924 ( 1.090 3.978 1.696) 4.460 8.073 ( 5.586 -1.840 6.403) 8.694 8.281 ( 12.580 -6.569 -0.982) 14.225 8.650 ( 4.768 4.164 -1.594) 6.528 8.846 ( -12.667 -20.014 5.051) 24.219 9.234 ( -1.205 -6.109 -3.356) 7.073 9.423 ( 5.159 -0.142 2.490) 5.730 9.635 ( -16.857 -15.388 -4.136) 23.196 9.916 ( 4.292 -15.788 -4.273) 16.910 10.264 ( -5.857 11.061 1.438) 12.599 10.338 ( 5.192 -5.018 -4.083) 8.296 10.858 ( -20.210 14.749 -0.687) 25.029 11.323 ( 1.757 -3.830 -0.382) 4.231 11.547 ( 4.696 24.986 -4.618) 25.839 11.830 ( 7.869 -0.883 -2.616) 8.340 13.059 ( -4.494 -0.264 0.852) 4.581 13.665 ( -5.591 -0.894 5.968) 8.226 13.926 ( 3.122 -19.474 -0.306) 19.725 14.173 ( 4.983 -0.420 0.707) 5.050 14.472 ( -4.685 -0.844 -0.350) 4.773 14.683 ( 13.062 -9.415 7.185) 17.631 15.309 ( -19.406 -18.828 -1.015) 27.057 15.390 ( 9.750 5.502 -0.777) 11.222 15.775 ( 6.212 24.513 -0.118) 25.288 16.091 ( -0.913 6.757 2.568) 7.286 16.466 ( 3.474 9.873 -5.197) 11.686 16.881 ( -2.186 -2.285 0.785) 3.258 17.035 ( 0.382 6.846 1.316) 6.982 18.102 ( 13.964 -5.325 -0.269) 14.948 18.496 ( -2.176 8.374 -12.927) 15.555 18.731 ( 1.557 2.972 -3.917) 5.158 18.985 ( -4.724 -0.448 3.154) 5.698 19.287 ( -0.100 -7.415 -1.346) 7.537 21.131 ( -0.159 0.261 3.151) 3.165 21.382 ( 1.631 5.834 6.198) 8.667 22.956 ( 2.394 -14.272 -3.100) 14.800 23.797 ( 9.111 -8.020 11.898) 16.997 24.515 ( -1.356 -0.406 1.565) 2.110 24.813 ( -8.841 -1.158 -4.687) 10.074 25.308 ( 5.005 3.026 -0.818) 5.905 25.466 ( -1.554 2.485 -2.616) 3.929 26.308 ( -6.582 0.548 -8.208) 10.536 26.913 ( -2.492 -3.706 4.729) 6.505 27.887 ( -1.825 2.851 3.255) 4.696 28.150 ( -6.896 -9.883 8.384) 14.680 28.477 ( 1.776 0.721 -4.481) 4.874 29.591 ( 16.066 9.225 -4.027) 18.959 ======================= Grid point 112 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -14.030 17.480 26.475) 34.689 1.006 ( -23.580 19.153 23.757) 38.565 1.873 ( -28.281 24.639 57.842) 68.939 2.893 ( -6.696 -5.555 1.316) 8.800 3.179 ( -3.965 1.051 -16.338) 16.845 3.265 ( -4.785 16.984 -4.909) 18.316 3.596 ( -4.843 6.353 -10.936) 13.543 3.709 ( 4.435 3.846 0.330) 5.880 3.761 ( -2.837 15.543 -5.772) 16.821 4.645 ( 3.194 -1.200 9.479) 10.074 4.733 ( 0.125 5.512 3.039) 6.296 5.226 ( -16.875 4.494 6.887) 18.772 5.921 ( 8.798 -0.080 -11.907) 14.805 6.111 ( 11.601 -4.716 -4.424) 13.282 6.396 ( 10.577 -4.039 0.176) 11.323 6.494 ( 7.389 -0.354 -4.156) 8.485 7.273 ( 3.127 -13.916 0.238) 14.265 7.385 ( -2.107 -10.123 11.426) 15.410 7.457 ( 6.454 -10.754 11.397) 16.947 7.848 ( 10.022 8.944 -2.284) 13.625 8.122 ( 1.049 1.278 12.012) 12.125 8.732 ( 7.375 -6.685 2.515) 10.267 8.746 ( 22.165 -14.693 5.745) 27.205 8.902 ( -9.655 -10.461 3.925) 14.766 9.275 ( 0.004 -4.074 0.345) 4.089 9.404 ( -7.213 -0.582 -0.300) 7.243 9.603 ( -4.996 -5.394 -1.403) 7.485 9.935 ( -17.487 11.254 -3.498) 21.087 10.146 ( -0.588 -9.088 0.427) 9.117 10.462 ( -5.267 2.338 -7.940) 9.811 10.559 ( 5.653 -7.333 2.621) 9.623 11.270 ( 3.942 24.192 2.461) 24.634 11.347 ( 0.331 0.034 -4.641) 4.653 11.917 ( 4.822 0.313 -3.980) 6.260 12.969 ( -5.287 4.026 7.037) 9.679 13.666 ( -4.270 -2.895 3.042) 5.989 14.054 ( 0.677 2.274 -3.423) 4.165 14.240 ( 2.518 -2.624 -0.883) 3.742 14.563 ( 3.420 -18.224 4.946) 19.191 15.051 ( 13.718 -6.290 9.952) 18.078 15.297 ( -16.619 -18.180 0.031) 24.632 15.465 ( 6.742 2.209 -0.866) 7.148 15.579 ( 9.578 17.225 0.054) 19.709 15.900 ( -10.232 12.268 -0.224) 15.976 16.367 ( 9.108 14.202 -5.656) 17.795 16.891 ( -0.322 -1.115 -1.258) 1.711 16.966 ( -0.629 3.983 1.661) 4.361 17.956 ( -29.539 18.955 -42.741) 55.304 18.393 ( 9.735 -1.553 -1.786) 10.018 18.722 ( 0.925 0.010 -2.355) 2.531 18.940 ( -6.156 -0.488 6.222) 8.766 19.349 ( -0.088 -4.216 -3.457) 5.453 21.197 ( -1.027 -4.256 6.532) 7.864 21.426 ( 11.226 4.749 8.465) 14.841 23.181 ( -4.927 -32.404 10.224) 34.333 24.060 ( 26.623 16.099 -10.069) 32.701 24.538 ( -6.890 -1.703 1.778) 7.317 24.616 ( -15.962 -6.142 0.821) 17.122 25.305 ( 2.560 4.142 0.838) 4.941 25.453 ( 0.559 -0.880 0.449) 1.135 26.207 ( 4.299 3.018 5.693) 7.746 26.919 ( -5.051 -1.992 2.772) 6.096 27.852 ( -1.482 1.597 3.914) 4.479 28.268 ( -8.146 -19.171 4.995) 21.420 28.502 ( 3.493 -1.275 1.272) 3.930 29.579 ( 8.403 19.127 -17.663) 27.358 ======================= Grid point 114 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 18.018 0.000 32.327) 37.009 1.639 ( 20.875 0.000 29.127) 35.835 2.566 ( 14.794 0.000 32.891) 36.065 2.620 ( -3.795 -0.000 -21.290) 21.626 2.817 ( 11.875 0.000 1.711) 11.997 3.148 ( -1.446 -0.000 -8.812) 8.930 3.430 ( 10.423 0.000 -0.238) 10.426 3.734 ( 4.112 0.000 -3.047) 5.118 3.942 ( 11.289 0.000 1.484) 11.386 4.718 ( 1.097 0.000 -6.233) 6.328 4.792 ( -1.544 -0.000 12.633) 12.727 5.256 ( 15.104 0.000 -0.717) 15.121 5.942 ( 1.804 0.000 -10.645) 10.797 6.279 ( -6.314 -0.000 -3.163) 7.062 6.389 ( -16.461 -0.000 5.324) 17.300 6.503 ( -18.718 -0.000 10.900) 21.660 6.678 ( 11.124 0.000 -34.504) 36.253 6.997 ( -16.088 -0.000 7.372) 17.697 7.420 ( -10.339 -0.000 1.883) 10.509 7.884 ( -22.939 -0.000 28.652) 36.704 8.307 ( -3.663 -0.000 14.273) 14.735 8.489 ( -0.259 -0.000 -6.746) 6.751 8.724 ( 6.345 0.000 -9.330) 11.283 8.966 ( -14.950 -0.000 10.399) 18.211 9.303 ( -7.798 -0.000 2.861) 8.306 9.630 ( 8.936 0.000 5.900) 10.708 9.869 ( 17.972 0.000 -16.598) 24.464 9.916 ( 22.212 0.000 -6.496) 23.142 10.413 ( 3.651 0.000 8.845) 9.569 10.502 ( 2.826 0.000 -0.104) 2.828 10.575 ( -3.134 -0.000 -6.302) 7.038 11.129 ( -6.064 -0.000 -9.805) 11.529 11.398 ( -0.312 -0.000 9.385) 9.391 11.702 ( -7.660 -0.000 -8.168) 11.198 13.307 ( 15.342 0.000 13.080) 20.161 13.462 ( 0.500 0.000 -1.805) 1.873 14.089 ( -5.543 -0.000 -4.849) 7.364 14.396 ( 13.060 0.000 -4.246) 13.733 14.826 ( -18.347 -0.000 4.562) 18.905 14.978 ( -20.929 -0.000 -2.510) 21.079 15.053 ( -17.742 -0.000 9.715) 20.228 15.377 ( -6.647 -0.000 -0.026) 6.647 15.573 ( 11.560 0.000 0.497) 11.571 15.951 ( 24.768 0.000 -8.896) 26.317 16.671 ( 15.696 0.000 13.597) 20.767 16.703 ( 9.295 0.000 -14.353) 17.100 16.965 ( -0.940 -0.000 1.565) 1.825 17.033 ( 11.570 0.000 -3.863) 12.198 18.408 ( -9.302 -0.000 4.799) 10.467 18.513 ( -7.448 -0.000 -7.164) 10.335 19.002 ( 3.374 0.000 5.053) 6.076 19.429 ( 2.275 0.000 -2.364) 3.281 21.297 ( 3.848 0.000 5.266) 6.522 21.455 ( 0.296 0.000 4.864) 4.873 23.079 ( -28.710 -0.000 -4.017) 28.990 23.556 ( -17.361 -0.000 -6.397) 18.502 24.647 ( 7.390 0.000 0.686) 7.422 24.952 ( 15.300 0.000 3.741) 15.751 25.342 ( -0.508 -0.000 3.755) 3.789 25.377 ( -2.882 -0.000 -2.344) 3.715 26.647 ( -4.313 -0.000 -8.622) 9.641 27.571 ( 8.911 0.000 -13.342) 16.044 27.880 ( 4.226 0.000 2.331) 4.826 28.066 ( -13.638 -0.000 17.045) 21.829 28.300 ( 1.733 0.000 -6.749) 6.968 28.956 ( 4.941 0.000 9.441) 10.655 ======================= Grid point 115 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 19.367 -3.317 27.690) 33.954 2.119 ( 22.887 -5.252 24.310) 33.799 2.484 ( -2.213 -2.966 -18.113) 18.487 2.739 ( 8.103 -5.022 -12.929) 16.063 3.149 ( 4.543 -2.495 -1.820) 5.494 3.317 ( 20.921 -9.652 23.483) 32.898 3.595 ( 4.950 -8.102 -0.351) 9.501 3.766 ( 2.965 1.265 -0.930) 3.355 4.162 ( 3.510 -12.368 8.746) 15.549 4.758 ( 9.710 -1.102 -5.348) 11.140 4.858 ( 6.266 2.582 4.620) 8.203 5.433 ( 6.588 3.322 -2.453) 7.775 5.758 ( -6.034 13.444 -6.737) 16.203 6.136 ( -9.752 3.878 -2.668) 10.828 6.292 ( -6.631 -12.198 4.191) 14.503 6.375 ( -8.891 -12.178 -4.661) 15.782 6.612 ( 0.248 5.059 -13.585) 14.499 6.889 ( -7.839 -5.733 2.096) 9.935 7.278 ( -6.015 5.678 6.282) 10.387 7.717 ( -14.071 2.516 15.379) 20.996 8.312 ( -4.652 1.884 14.320) 15.174 8.421 ( 0.556 4.289 -4.431) 6.191 8.713 ( 5.945 7.805 -6.616) 11.833 8.924 ( -11.330 -10.963 8.419) 17.873 9.181 ( -11.381 -0.189 1.846) 11.532 9.673 ( 4.734 13.208 -3.746) 14.523 9.916 ( 20.321 22.884 -10.359) 32.309 10.097 ( 3.912 7.014 1.242) 8.127 10.449 ( 7.868 -6.276 4.254) 10.927 10.486 ( 6.154 2.028 -2.827) 7.070 10.805 ( 6.399 -16.161 -1.911) 17.487 11.067 ( -4.245 -13.624 -10.198) 17.539 11.423 ( -3.401 1.118 5.915) 6.914 11.571 ( -6.000 -3.107 -6.662) 9.489 13.473 ( 6.294 2.523 -0.135) 6.782 13.618 ( 11.920 -2.869 13.713) 18.395 13.948 ( -4.111 8.011 -4.961) 10.280 14.219 ( -20.836 24.185 -2.379) 32.012 14.580 ( 3.833 -5.959 -3.399) 7.858 14.816 ( -13.724 6.932 11.449) 19.170 15.037 ( -19.972 -31.150 -2.005) 37.057 15.266 ( -4.374 2.395 -2.566) 5.608 15.676 ( 12.711 6.437 -0.040) 14.248 16.231 ( 17.592 0.502 -2.460) 17.770 16.652 ( 6.524 7.856 -4.719) 11.249 16.909 ( 6.791 5.489 4.213) 9.695 16.985 ( 0.913 -3.682 1.486) 4.074 17.440 ( 15.815 -27.397 -4.186) 31.909 18.243 ( -9.832 6.121 1.248) 11.648 18.418 ( -6.556 -6.066 -4.195) 9.868 19.066 ( 1.743 -0.362 4.065) 4.437 19.419 ( 0.864 2.363 -3.271) 4.127 21.389 ( 5.355 0.859 6.870) 8.752 21.513 ( 2.164 -0.918 6.280) 6.706 22.653 ( -25.892 4.017 -2.794) 26.350 23.263 ( -14.452 0.638 -8.669) 16.865 24.740 ( 4.677 -0.398 2.527) 5.331 25.091 ( 10.137 7.123 2.920) 12.729 25.268 ( -4.627 2.967 -0.779) 5.552 25.459 ( 0.771 -8.641 0.892) 8.721 26.553 ( -2.440 -0.450 -9.453) 9.773 27.395 ( -3.846 15.957 1.697) 16.502 27.941 ( 1.983 1.086 3.980) 4.578 28.057 ( 4.410 2.401 3.625) 6.193 28.395 ( 0.731 -11.452 -7.072) 13.479 29.096 ( 1.346 -5.661 6.243) 8.534 ======================= Grid point 116 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 13.862 -7.757 17.543) 23.666 2.445 ( 4.309 -3.350 -5.993) 8.106 2.683 ( 23.987 -11.021 17.242) 31.529 2.890 ( 14.858 -3.338 -10.207) 18.333 3.281 ( 5.864 -5.703 2.114) 8.449 3.559 ( 0.413 2.091 -0.907) 2.317 3.732 ( -1.249 -2.662 0.819) 3.052 3.869 ( 4.057 -11.715 -0.648) 12.415 4.392 ( 1.338 -6.075 16.186) 17.340 4.891 ( -0.164 3.652 -1.095) 3.817 5.044 ( 17.853 -5.938 2.136) 18.935 5.205 ( 1.946 13.882 -11.767) 18.302 5.517 ( -8.642 8.060 -0.292) 11.821 6.018 ( -2.476 -0.932 -8.953) 9.336 6.336 ( -12.000 -11.002 13.400) 21.086 6.412 ( -4.733 1.287 -3.774) 6.189 6.543 ( -4.128 -6.828 -9.081) 12.088 7.032 ( 9.524 -11.717 8.618) 17.386 7.238 ( 3.953 -7.139 -4.102) 9.133 7.593 ( -7.192 3.221 7.046) 10.571 8.278 ( -4.597 3.573 11.405) 12.805 8.372 ( -2.156 -0.493 -0.296) 2.232 8.615 ( 3.348 13.910 -5.915) 15.482 8.964 ( -6.396 -5.505 1.826) 8.634 8.994 ( -13.256 5.300 6.716) 15.777 9.397 ( -1.945 15.396 -7.244) 17.126 9.823 ( 15.710 22.888 -1.243) 27.788 10.141 ( 7.079 4.477 -2.287) 8.682 10.457 ( -1.784 2.993 1.299) 3.719 10.562 ( -5.076 -2.346 2.096) 5.972 11.014 ( 8.006 1.918 -10.508) 13.349 11.343 ( -4.030 -21.643 -4.614) 22.493 11.410 ( 12.590 -14.178 1.110) 18.993 11.574 ( 0.569 -5.102 -2.617) 5.762 13.424 ( -13.228 20.567 -8.511) 25.893 13.602 ( 0.674 5.673 7.497) 9.426 13.756 ( -4.288 0.238 2.888) 5.175 14.009 ( 7.258 0.344 2.573) 7.708 14.364 ( -15.900 17.932 4.094) 24.313 14.860 ( -0.770 -12.496 6.850) 14.271 15.117 ( -21.655 -25.595 0.479) 33.530 15.202 ( 4.393 0.294 -11.482) 12.298 15.806 ( 11.442 -0.804 0.997) 11.514 16.368 ( 10.942 10.791 3.480) 15.757 16.646 ( 5.055 0.182 -5.251) 7.291 16.901 ( 6.505 11.042 2.571) 13.072 17.087 ( 3.307 -5.734 0.504) 6.639 17.772 ( -6.204 -1.653 4.694) 7.953 18.156 ( 2.687 -11.217 -5.714) 12.872 18.450 ( -1.040 -11.516 -3.676) 12.133 19.092 ( -0.625 0.723 3.169) 3.310 19.370 ( -0.176 2.413 -4.279) 4.916 21.494 ( 6.126 1.438 6.784) 9.253 21.576 ( 2.921 0.863 3.824) 4.888 22.251 ( -19.045 7.662 0.854) 20.546 23.091 ( -12.149 -8.444 -5.273) 15.707 24.813 ( 2.076 -1.368 2.690) 3.663 25.133 ( 6.283 8.913 3.255) 11.380 25.153 ( -3.563 1.299 -2.371) 4.473 25.555 ( -0.249 -5.520 -1.743) 5.794 26.498 ( -0.422 -1.047 -7.419) 7.504 27.168 ( -2.637 13.796 2.982) 14.359 27.968 ( -0.412 0.147 5.223) 5.241 28.097 ( 5.625 4.711 1.822) 7.560 28.505 ( 0.763 -9.543 -7.324) 12.054 29.188 ( -0.213 -4.033 3.433) 5.301 ======================= Grid point 117 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 4.138 -6.211 -2.059) 7.742 2.772 ( 14.539 -6.231 9.446) 18.424 3.029 ( 11.595 2.161 0.668) 11.814 3.278 ( 20.851 -5.897 8.489) 23.272 3.402 ( -7.329 6.039 -3.600) 10.155 3.479 ( 7.569 -9.170 8.294) 14.497 3.728 ( -1.215 -1.638 -3.357) 3.928 4.047 ( 1.883 -12.190 0.567) 12.348 4.397 ( -9.863 11.285 2.053) 15.128 4.726 ( 0.172 5.513 2.116) 5.908 5.057 ( 17.925 13.700 -14.671) 26.912 5.238 ( -5.271 7.694 4.519) 10.363 5.602 ( 7.029 -20.521 -5.336) 22.338 5.950 ( -0.474 3.108 -5.418) 6.264 6.318 ( -5.885 -6.905 -6.091) 10.927 6.408 ( -9.122 -9.248 19.947) 23.804 6.556 ( 1.473 -8.601 1.422) 8.841 7.097 ( -5.792 1.378 4.107) 7.232 7.457 ( -0.687 13.301 4.736) 14.136 7.752 ( 17.793 -27.136 -9.689) 33.865 8.221 ( -4.156 12.271 14.527) 19.465 8.339 ( -0.978 9.995 -4.002) 10.811 8.374 ( -6.308 -3.283 -0.021) 7.111 8.728 ( -11.124 4.685 3.317) 12.518 8.956 ( -1.883 1.190 -2.733) 3.526 9.306 ( 1.836 -1.630 -3.631) 4.383 9.730 ( 11.912 19.884 -0.034) 23.179 10.059 ( -4.444 10.657 -3.045) 11.941 10.390 ( -4.160 3.075 1.740) 5.458 10.508 ( -2.790 -0.111 3.197) 4.245 10.884 ( -1.524 14.718 -1.338) 14.857 11.494 ( 2.014 -18.691 -16.651) 25.113 11.675 ( 2.672 -9.132 -0.789) 9.547 11.992 ( 22.098 -22.236 1.355) 31.378 12.882 ( -17.322 15.429 -6.329) 24.045 13.591 ( -9.380 -1.293 2.183) 9.717 13.764 ( 1.983 6.166 5.324) 8.384 13.908 ( -8.278 16.125 1.517) 18.189 14.103 ( 4.505 3.031 1.737) 5.701 14.972 ( -6.787 -6.152 3.673) 9.870 15.123 ( -19.551 -19.266 3.985) 27.736 15.297 ( 10.522 -8.244 -10.642) 17.086 16.004 ( 3.379 -8.105 2.770) 9.208 16.327 ( 10.257 16.561 3.800) 19.847 16.709 ( 6.357 1.594 -2.185) 6.908 16.854 ( 7.149 11.599 0.648) 13.641 17.221 ( 4.817 -6.245 -0.102) 7.887 17.584 ( -8.972 9.541 5.604) 14.245 18.335 ( -0.564 -13.396 -2.941) 13.727 18.634 ( 3.141 -14.650 -6.661) 16.397 19.066 ( -1.147 2.929 3.017) 4.359 19.310 ( -2.024 0.977 -5.311) 5.768 21.513 ( 1.226 4.463 -4.944) 6.772 21.685 ( 10.092 1.645 7.559) 12.716 21.962 ( -12.076 4.489 5.688) 14.084 23.071 ( -11.812 -14.276 2.808) 18.741 24.860 ( 0.346 -1.448 2.171) 2.632 25.003 ( -6.771 3.764 -1.931) 7.984 25.180 ( 7.725 5.669 -0.542) 9.597 25.589 ( -0.845 -3.660 -3.102) 4.872 26.486 ( 1.155 -0.745 -4.470) 4.677 26.996 ( -1.612 10.279 1.969) 10.589 27.979 ( -0.996 0.517 4.565) 4.701 28.115 ( 4.230 4.830 2.903) 7.046 28.573 ( -0.144 -6.139 -8.207) 10.250 29.252 ( 1.089 -3.386 2.509) 4.353 ======================= Grid point 118 (46/141) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 4.893 -0.500 1.749) 5.220 2.881 ( -6.520 8.414 -0.994) 10.691 3.079 ( -2.730 13.786 -0.996) 14.089 3.142 ( 8.759 2.230 1.442) 9.153 3.485 ( -7.262 0.932 8.835) 11.474 3.826 ( 10.536 -6.236 0.316) 12.247 3.887 ( 11.865 -13.962 10.649) 21.192 4.048 ( -3.128 12.477 -7.266) 14.774 4.312 ( 15.262 -5.325 1.753) 16.259 4.659 ( -3.384 4.283 -4.785) 7.259 5.079 ( 14.825 11.276 -7.641) 20.132 5.198 ( 3.928 -2.092 4.405) 6.262 5.718 ( 3.358 -2.856 -22.837) 23.259 5.875 ( -2.803 4.922 8.429) 10.155 6.389 ( -2.511 -14.370 -5.949) 15.755 6.534 ( -9.270 -10.744 24.009) 27.889 6.862 ( 7.016 -16.784 -0.550) 18.200 7.000 ( -6.973 1.436 6.541) 9.668 7.166 ( -5.653 22.041 4.405) 23.177 7.911 ( -4.549 14.806 3.233) 15.823 8.000 ( 2.819 -1.214 -5.083) 5.938 8.355 ( -8.725 -7.248 1.041) 11.391 8.538 ( -4.454 6.124 -1.745) 7.771 8.574 ( 3.093 -10.596 6.037) 12.581 8.899 ( -1.160 -1.098 -4.806) 5.064 9.349 ( 1.848 -6.304 -8.018) 10.365 9.697 ( 11.328 11.546 5.696) 17.148 9.748 ( -10.531 16.270 1.404) 19.432 10.273 ( -8.048 2.111 1.529) 8.460 10.554 ( 6.347 -0.394 1.786) 6.605 10.693 ( -2.249 6.343 -3.516) 7.593 11.649 ( 5.802 -7.749 -11.183) 14.791 11.878 ( 6.261 -14.710 -7.246) 17.552 12.298 ( -5.651 9.960 -4.952) 12.476 12.735 ( 8.049 -19.586 1.553) 21.232 13.306 ( -19.230 14.487 2.534) 24.210 13.565 ( 0.195 4.567 4.293) 6.271 13.994 ( 6.105 -3.868 -0.501) 7.245 14.086 ( 2.542 5.144 1.080) 5.838 14.917 ( -12.231 -7.074 -1.467) 14.205 15.102 ( -12.541 -8.855 2.581) 15.567 15.537 ( 8.092 -11.710 -1.901) 14.360 15.947 ( -8.961 11.319 7.042) 16.062 16.450 ( 14.150 -3.687 -0.406) 14.628 16.741 ( 6.068 6.065 0.902) 8.627 16.807 ( 8.420 12.719 -0.899) 15.280 17.388 ( 6.884 -4.026 1.883) 8.194 17.409 ( -0.941 7.146 3.739) 8.120 18.473 ( -1.747 -12.873 -2.205) 13.177 18.754 ( -2.161 -8.401 -7.987) 11.791 19.052 ( 1.483 1.665 3.407) 4.072 19.220 ( -5.138 1.062 -5.842) 7.853 21.414 ( 1.213 6.042 -10.505) 12.179 21.704 ( -2.431 9.687 8.581) 13.168 22.013 ( 9.358 -9.662 4.474) 14.175 23.131 ( -13.415 -15.485 12.060) 23.774 24.841 ( -8.205 2.429 -1.159) 8.635 24.887 ( 1.892 1.773 -0.674) 2.679 25.201 ( 4.518 2.224 -3.935) 6.391 25.606 ( 0.088 -2.057 -2.435) 3.188 26.491 ( 1.896 0.905 -2.395) 3.185 26.880 ( -1.058 6.133 1.225) 6.343 27.977 ( -1.021 0.885 3.801) 4.034 28.122 ( 2.087 4.112 4.662) 6.557 28.572 ( -1.006 -2.114 -8.519) 8.835 29.344 ( 3.721 -4.219 1.166) 5.745 ======================= Grid point 119 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -7.642 24.659 -1.915) 25.887 2.619 ( -10.093 17.273 8.240) 21.636 2.922 ( -7.190 3.826 3.189) 8.746 3.228 ( 6.018 0.946 -5.445) 8.170 3.380 ( -0.574 4.707 4.678) 6.661 3.713 ( -6.457 9.876 -7.139) 13.791 4.179 ( 5.914 -4.035 5.504) 9.031 4.206 ( 14.496 -6.925 -2.282) 16.226 4.475 ( -2.263 10.440 3.426) 11.219 4.651 ( 18.723 0.806 3.210) 19.014 5.055 ( 10.461 9.329 -8.263) 16.271 5.405 ( 8.282 -5.314 2.017) 10.045 5.722 ( 11.321 -3.384 -18.599) 22.035 5.881 ( -0.205 -4.218 7.269) 8.407 6.355 ( -9.717 18.116 -1.002) 20.582 6.597 ( -14.320 -4.584 13.855) 20.446 6.637 ( -5.418 11.137 6.501) 13.987 6.946 ( -3.784 -7.770 6.704) 10.938 7.409 ( 5.991 -20.334 0.760) 21.212 7.809 ( -0.609 -2.793 0.586) 2.918 8.025 ( -1.414 -1.797 -2.995) 3.768 8.131 ( -9.359 18.706 -6.012) 21.763 8.361 ( -9.619 -4.905 3.307) 11.293 8.675 ( -0.263 1.143 10.101) 10.169 8.911 ( -4.789 -7.577 -5.330) 10.429 9.440 ( -4.892 -0.837 1.839) 5.293 9.489 ( 2.494 3.245 -5.941) 7.214 9.781 ( 10.709 4.662 2.173) 11.881 10.162 ( -6.514 -1.707 -0.246) 6.739 10.613 ( 0.171 1.262 -3.855) 4.060 10.726 ( 9.297 -6.303 3.326) 11.714 11.733 ( 0.890 -1.149 -4.855) 5.068 11.908 ( -8.557 16.340 -7.421) 19.882 12.110 ( 5.824 -5.995 -8.329) 11.800 12.927 ( -5.868 3.683 -1.878) 7.179 13.154 ( 2.256 -14.852 1.915) 15.144 13.662 ( 6.646 -6.154 6.746) 11.294 13.961 ( -5.524 -0.203 3.503) 6.544 14.192 ( 10.831 0.211 -2.076) 11.030 14.827 ( -11.944 -7.787 -3.731) 14.738 14.994 ( -18.122 -3.476 4.057) 18.893 15.695 ( 0.050 11.824 1.023) 11.868 15.796 ( 4.525 -7.474 5.192) 10.164 16.640 ( 5.079 -2.009 1.280) 5.610 16.675 ( 1.246 12.672 3.307) 13.155 16.813 ( 11.298 7.146 -3.157) 13.736 17.324 ( 5.091 10.236 2.649) 11.736 17.633 ( 13.187 -7.139 1.728) 15.094 18.574 ( -3.323 -8.723 -2.090) 9.565 18.760 ( -2.694 -7.135 -9.086) 11.863 19.072 ( -0.778 0.567 -1.460) 1.748 19.086 ( -6.162 1.193 -0.617) 6.307 21.298 ( 1.168 6.031 -9.396) 11.226 21.600 ( -1.208 7.545 6.295) 9.900 22.348 ( 13.882 -13.049 -1.509) 19.112 23.216 ( -14.564 -15.286 21.195) 29.916 24.691 ( -5.253 3.946 -2.417) 7.001 24.871 ( -0.505 1.560 -2.460) 2.956 25.223 ( 2.379 -2.107 -4.367) 5.401 25.610 ( 0.803 0.821 -2.341) 2.607 26.477 ( 1.575 3.910 -1.413) 4.446 26.824 ( -0.951 1.349 1.297) 2.099 27.970 ( -1.014 0.992 3.320) 3.610 28.111 ( -0.904 3.565 6.226) 7.231 28.529 ( -0.071 0.374 -7.159) 7.169 29.471 ( 6.269 -4.812 -1.814) 8.109 ======================= Grid point 120 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -4.796 30.494 5.692) 31.389 2.167 ( -18.000 26.342 9.286) 33.229 2.750 ( -9.297 6.563 4.341) 12.180 3.206 ( 0.929 4.867 -6.239) 7.967 3.371 ( 0.816 9.675 -8.733) 13.059 3.537 ( 0.973 -0.285 3.791) 3.925 4.153 ( -4.443 14.576 -4.029) 15.761 4.230 ( 2.804 10.416 -0.434) 10.796 4.497 ( 7.356 5.155 13.967) 16.606 4.764 ( 7.517 10.800 -4.207) 13.815 5.130 ( 14.488 12.637 -1.005) 19.250 5.458 ( -0.093 1.895 -0.605) 1.992 5.850 ( -4.800 5.748 5.976) 9.581 5.882 ( 6.856 -3.240 -8.300) 11.242 6.173 ( 8.750 -8.051 -3.833) 12.493 6.351 ( -17.172 7.101 1.301) 18.628 6.681 ( 3.501 -3.119 12.360) 13.220 7.060 ( -4.744 -10.661 5.949) 13.098 7.549 ( -7.554 9.239 0.796) 11.960 7.768 ( 6.215 -6.923 -5.671) 10.895 7.903 ( 0.469 -9.489 -5.983) 11.227 8.172 ( -7.774 -16.271 -0.953) 18.058 8.343 ( -5.544 -5.954 6.026) 10.124 8.732 ( 0.705 2.942 8.257) 8.793 8.920 ( -4.619 -12.169 0.971) 13.053 9.371 ( 0.678 0.785 0.956) 1.411 9.491 ( -1.986 -0.230 -3.028) 3.629 9.848 ( 6.793 5.046 0.490) 8.476 10.169 ( 0.491 -7.631 -4.462) 8.853 10.565 ( 1.851 8.243 -0.378) 8.457 10.970 ( 3.525 -10.013 1.792) 10.766 11.380 ( -17.895 14.893 -1.611) 23.338 11.841 ( 7.767 2.516 -4.269) 9.213 12.086 ( 4.591 13.516 -8.212) 16.468 12.951 ( 4.603 -7.512 -4.933) 10.097 13.365 ( -0.466 -18.058 2.249) 18.204 13.709 ( -5.193 1.229 -0.786) 5.394 14.127 ( 8.004 -6.615 15.803) 18.909 14.318 ( 5.538 -5.649 -1.714) 8.095 14.710 ( -7.802 8.326 -1.633) 11.526 14.799 ( -21.781 -18.737 -0.851) 28.744 15.592 ( 3.388 8.918 2.616) 9.892 15.979 ( 5.968 -3.459 1.879) 7.149 16.507 ( 2.048 17.549 2.575) 17.855 16.708 ( 6.198 5.350 3.229) 8.801 16.829 ( 1.864 2.756 -2.212) 3.996 17.278 ( 6.107 11.287 -0.174) 12.834 17.947 ( 16.625 -6.769 1.438) 18.008 18.568 ( -5.603 -2.910 -5.874) 8.623 18.751 ( -3.119 -3.472 -11.621) 12.523 18.974 ( -4.213 -1.460 -1.304) 4.646 19.087 ( -2.988 -3.945 2.077) 5.367 21.204 ( 0.981 4.794 -4.433) 6.603 21.549 ( 3.487 6.710 3.829) 8.476 22.632 ( 2.660 -12.376 -5.291) 13.720 23.400 ( -5.427 -18.778 25.054) 31.777 24.576 ( -3.075 3.053 -1.675) 4.646 24.799 ( -3.617 1.679 -6.893) 7.963 25.281 ( 2.647 -3.839 -1.783) 4.993 25.576 ( 0.907 4.223 -2.651) 5.068 26.418 ( 0.780 6.746 -0.220) 6.795 26.825 ( -1.440 -2.247 1.706) 3.168 27.956 ( -1.002 1.749 2.911) 3.541 28.070 ( -4.342 2.129 7.191) 8.666 28.503 ( 2.211 1.148 -4.122) 4.816 29.615 ( 8.246 -4.879 -6.817) 11.759 ======================= Grid point 121 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -6.358 30.285 16.260) 34.957 1.617 ( -14.115 28.671 10.782) 33.727 2.573 ( -4.817 15.250 18.047) 24.113 3.018 ( -5.064 17.005 2.189) 17.877 3.190 ( -1.487 2.294 -16.682) 16.904 3.625 ( 2.902 0.242 -2.541) 3.865 3.857 ( -5.362 14.482 -2.104) 15.586 4.002 ( -0.540 25.216 -1.751) 25.282 4.415 ( 2.776 24.575 -3.086) 24.923 4.725 ( 3.947 6.944 11.993) 14.409 4.957 ( 0.835 17.217 3.518) 17.593 5.383 ( -13.534 6.613 5.552) 16.054 5.856 ( 5.733 -5.005 -8.016) 11.053 6.050 ( 6.429 -7.988 -4.414) 11.163 6.150 ( 4.154 -1.621 -6.323) 7.738 6.395 ( 5.382 -9.264 2.139) 10.926 6.880 ( 0.828 -10.311 10.399) 14.667 7.139 ( -3.625 -7.672 0.603) 8.506 7.390 ( -1.351 1.258 3.235) 3.725 7.967 ( 4.003 -2.011 -6.444) 7.848 8.101 ( 9.124 -21.195 -2.035) 23.165 8.200 ( -5.464 -5.441 -1.543) 7.864 8.407 ( -12.664 -17.682 3.156) 21.977 8.690 ( -4.252 -1.827 7.615) 8.911 9.122 ( 3.113 -11.698 5.095) 13.134 9.361 ( -6.845 -1.591 1.953) 7.293 9.529 ( 10.176 -2.340 -0.554) 10.457 9.890 ( 4.503 1.099 4.003) 6.125 10.245 ( 0.527 0.279 -10.652) 10.669 10.441 ( -1.066 9.181 6.247) 11.156 10.812 ( -11.020 14.017 -0.234) 17.831 11.262 ( 0.582 -7.234 -2.372) 7.636 11.852 ( 3.960 16.287 -4.557) 17.370 11.921 ( 4.717 4.333 -5.175) 8.234 13.054 ( 2.490 -0.779 0.587) 2.675 13.560 ( -3.183 -4.756 -3.354) 6.633 13.747 ( 3.304 -17.880 8.174) 19.935 14.246 ( -1.564 -0.616 -0.023) 1.681 14.379 ( -6.419 2.278 6.895) 9.692 14.683 ( -0.284 -17.689 2.320) 17.842 14.830 ( -4.434 -14.037 -0.407) 14.726 15.547 ( 1.262 5.137 0.457) 5.310 16.029 ( 2.565 7.736 2.033) 8.400 16.316 ( 2.186 18.589 1.409) 18.770 16.703 ( 9.497 13.002 -2.377) 16.276 16.820 ( -1.974 -3.299 2.341) 4.501 17.187 ( 2.656 11.809 -0.421) 12.112 18.231 ( 11.104 -1.140 -6.528) 12.931 18.389 ( -6.352 3.540 -20.617) 21.861 18.683 ( -5.747 -3.831 -3.351) 7.677 18.944 ( -2.217 1.178 1.865) 3.127 19.150 ( -1.580 -10.179 -1.139) 10.363 21.169 ( 1.445 2.108 2.159) 3.345 21.563 ( 7.492 5.550 1.008) 9.378 22.706 ( -8.954 -10.037 9.464) 16.447 23.784 ( 1.143 -25.144 11.894) 27.838 24.505 ( -2.945 1.188 -0.322) 3.192 24.657 ( -3.125 4.715 -10.584) 12.001 25.374 ( 4.106 -3.314 1.539) 5.496 25.505 ( 1.069 6.750 -1.803) 7.067 26.349 ( 2.839 7.419 4.137) 8.957 26.842 ( -2.930 -3.226 1.160) 4.509 27.923 ( -1.029 3.337 2.947) 4.570 28.028 ( -6.414 -1.711 8.014) 10.407 28.516 ( 3.409 1.243 -0.424) 3.653 29.729 ( 6.914 -3.493 -15.893) 17.680 ======================= Grid point 122 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -4.507 24.585 23.056) 34.005 1.273 ( -3.732 23.485 28.588) 37.185 2.366 ( -0.264 35.569 42.963) 55.777 2.794 ( -4.066 3.586 -4.007) 6.742 3.077 ( 1.254 1.997 -16.027) 16.200 3.441 ( -3.757 17.714 -11.325) 21.357 3.592 ( -2.492 14.907 -6.080) 16.291 3.791 ( -0.418 5.259 0.693) 5.321 4.057 ( 4.952 28.735 -5.956) 29.761 4.772 ( -2.120 2.311 15.726) 16.035 4.861 ( 9.908 9.214 -6.655) 15.078 5.108 ( -14.907 5.890 12.483) 20.315 5.931 ( 2.026 -3.605 -9.494) 10.355 6.164 ( 8.656 -3.933 -5.580) 11.024 6.346 ( 4.944 -10.699 -2.747) 12.102 6.568 ( 5.475 -6.639 -9.346) 12.704 7.087 ( -10.071 -2.365 5.510) 11.721 7.139 ( -7.465 -20.427 15.996) 26.997 7.417 ( -1.276 -2.108 -3.685) 4.432 8.081 ( 3.725 -9.239 -8.330) 12.985 8.152 ( -3.153 -2.207 11.049) 11.700 8.310 ( -9.833 -10.675 -0.461) 14.520 8.548 ( -5.855 -18.630 -0.805) 19.545 8.889 ( 15.366 -14.260 2.949) 21.169 9.306 ( 2.367 -8.093 1.763) 8.614 9.346 ( 0.859 -1.355 8.046) 8.204 9.721 ( 5.264 -1.346 4.324) 6.944 9.931 ( -10.257 14.464 -0.779) 17.749 10.003 ( 4.926 -2.457 2.157) 5.912 10.382 ( -4.876 2.451 -4.540) 7.099 10.688 ( 8.966 4.633 3.981) 10.849 11.297 ( -1.573 -2.488 -7.015) 7.607 11.604 ( 1.292 20.364 -1.035) 20.431 11.936 ( 0.801 0.062 -5.202) 5.264 13.056 ( 1.279 6.031 7.426) 9.652 13.531 ( -4.519 -3.172 -2.189) 5.939 14.056 ( -0.248 -9.048 3.506) 9.707 14.299 ( 5.437 -9.714 2.735) 11.463 14.360 ( 1.225 -8.155 1.417) 8.367 14.863 ( -6.758 -17.443 -4.196) 19.171 15.053 ( 2.224 -14.399 12.875) 19.443 15.501 ( -2.616 -0.471 -1.882) 3.257 15.878 ( -1.175 18.291 2.635) 18.517 16.070 ( -0.665 21.920 -0.936) 21.950 16.650 ( 5.175 8.542 -4.142) 10.812 16.859 ( 0.340 -2.290 -0.836) 2.461 17.066 ( 0.144 9.586 1.792) 9.753 17.709 ( -14.792 34.971 -43.881) 58.028 18.471 ( 4.519 -2.753 0.350) 5.303 18.655 ( -4.233 -4.559 -1.828) 6.484 18.910 ( -1.795 1.213 4.217) 4.741 19.268 ( 2.122 -7.899 -1.716) 8.357 21.198 ( 1.108 -0.155 4.440) 4.579 21.565 ( 0.028 3.871 -3.692) 5.349 22.953 ( 6.697 -20.726 28.555) 35.914 23.959 ( -25.833 -18.811 -9.026) 33.207 24.478 ( 1.364 -0.332 1.191) 1.841 24.583 ( 11.783 5.717 -5.856) 14.346 25.421 ( -0.757 5.226 0.550) 5.309 25.474 ( 4.752 1.333 0.410) 4.952 26.472 ( 18.127 -4.191 12.668) 22.509 26.825 ( -4.594 -2.074 -1.288) 5.202 27.883 ( -1.059 2.908 3.818) 4.915 28.025 ( -7.716 -6.002 9.451) 13.597 28.552 ( 2.280 0.949 2.977) 3.868 29.620 ( -5.954 9.652 -27.594) 29.833 ======================= Grid point 125 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 13.725 0.000 20.067) 24.312 2.381 ( 1.925 0.000 -7.425) 7.671 2.527 ( 24.983 0.000 14.226) 28.750 2.844 ( 18.957 0.000 -7.372) 20.340 3.211 ( 6.595 0.000 2.201) 6.953 3.582 ( 1.278 0.000 -3.568) 3.790 3.611 ( 11.199 0.000 6.941) 13.176 3.780 ( -1.348 -0.000 -0.680) 1.510 4.250 ( 11.136 0.000 21.763) 24.447 4.876 ( 16.547 0.000 -15.483) 22.661 4.999 ( 0.665 0.000 12.167) 12.185 5.579 ( 6.188 0.000 3.580) 7.149 5.769 ( -4.244 -0.000 -5.882) 7.253 6.017 ( -13.614 -0.000 1.625) 13.711 6.084 ( -1.541 -0.000 -2.145) 2.641 6.211 ( 6.861 0.000 -13.383) 15.040 6.540 ( -3.430 -0.000 -16.352) 16.708 6.739 ( -7.761 -0.000 6.830) 10.338 7.310 ( -1.832 -0.000 7.682) 7.898 7.540 ( -18.263 -0.000 7.818) 19.866 8.327 ( -5.681 -0.000 12.983) 14.172 8.433 ( -0.238 -0.000 -7.512) 7.516 8.737 ( -8.310 -0.000 7.112) 10.938 8.840 ( 5.503 0.000 1.612) 5.734 9.056 ( -8.284 -0.000 2.325) 8.604 9.809 ( 0.816 0.000 -5.485) 5.546 10.191 ( 11.924 0.000 -11.206) 16.363 10.408 ( 7.978 0.000 3.777) 8.827 10.435 ( -8.209 -0.000 6.443) 10.435 10.621 ( 19.666 0.000 -10.953) 22.511 10.702 ( 4.326 0.000 4.058) 5.931 10.800 ( -3.361 -0.000 -10.268) 10.804 11.438 ( -2.757 -0.000 -4.150) 4.982 11.479 ( 1.502 0.000 2.985) 3.342 13.558 ( 5.459 0.000 0.652) 5.498 13.752 ( -7.842 -0.000 7.693) 10.986 13.985 ( 7.196 0.000 6.687) 9.823 14.280 ( -22.809 -0.000 2.094) 22.905 14.296 ( -20.054 -0.000 -7.803) 21.519 14.556 ( 1.404 0.000 -7.359) 7.492 14.754 ( -8.890 -0.000 7.043) 11.342 15.212 ( -2.548 -0.000 -3.542) 4.363 15.828 ( 5.735 0.000 1.334) 5.888 16.478 ( 16.676 0.000 -4.184) 17.193 16.774 ( 7.432 0.000 -6.595) 9.936 16.975 ( 1.759 0.000 1.026) 2.036 17.269 ( 12.396 0.000 18.375) 22.166 17.364 ( 15.781 0.000 -9.539) 18.440 18.184 ( -9.018 -0.000 -9.471) 13.077 18.207 ( -9.266 -0.000 5.443) 10.746 19.096 ( -0.279 -0.000 4.753) 4.761 19.407 ( -1.446 -0.000 -4.531) 4.756 21.514 ( 6.022 0.000 5.510) 8.163 21.586 ( 3.232 0.000 8.183) 8.798 22.367 ( -19.093 -0.000 4.696) 19.662 22.965 ( -16.199 -0.000 -15.916) 22.710 24.792 ( 1.124 0.000 3.954) 4.111 25.172 ( -2.425 -0.000 -1.954) 3.115 25.342 ( 3.347 0.000 -1.616) 3.717 25.395 ( 1.767 0.000 4.587) 4.916 26.485 ( 0.356 0.000 -8.529) 8.536 27.395 ( -8.727 -0.000 1.456) 8.848 27.990 ( -0.470 -0.000 5.689) 5.708 28.181 ( 8.327 0.000 -0.958) 8.382 28.322 ( 4.543 0.000 -6.239) 7.718 29.112 ( -0.134 -0.000 7.056) 7.057 ======================= Grid point 126 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 7.116 0.435 -1.850) 7.365 2.578 ( 11.766 -8.645 8.569) 16.929 2.974 ( 21.705 -5.350 12.607) 25.665 3.140 ( 22.428 -0.532 1.383) 22.476 3.329 ( 5.117 -1.326 4.971) 7.256 3.536 ( -2.610 1.315 -4.966) 5.763 3.697 ( 0.736 -0.989 -0.887) 1.519 3.793 ( 1.121 -5.272 0.019) 5.390 4.522 ( 3.172 0.814 18.591) 18.878 4.939 ( 0.914 6.881 -2.037) 7.234 5.136 ( 12.356 -11.426 -2.979) 17.090 5.502 ( 9.588 18.837 -0.900) 21.156 5.654 ( 4.814 17.856 -3.332) 18.792 5.867 ( -8.348 -3.867 -4.156) 10.095 6.147 ( -1.946 -7.129 1.874) 7.624 6.295 ( -4.791 -11.524 -11.763) 17.150 6.420 ( 0.813 6.630 1.295) 6.804 6.947 ( 14.107 -26.929 -2.007) 30.467 7.219 ( -9.205 5.635 4.794) 11.810 7.431 ( -10.274 -9.130 4.105) 14.344 8.275 ( -5.748 1.576 3.441) 6.882 8.365 ( -2.825 1.988 -1.366) 3.714 8.661 ( -5.602 2.735 5.090) 8.048 8.935 ( 2.243 1.987 -7.451) 8.031 8.955 ( -5.376 2.376 15.345) 16.432 9.587 ( -1.279 20.643 -8.391) 22.320 10.182 ( -5.154 7.587 2.470) 9.499 10.332 ( -1.218 12.213 4.282) 12.999 10.403 ( -0.034 -6.408 -0.658) 6.442 10.593 ( 8.263 16.504 -9.770) 20.883 10.817 ( 0.494 -21.238 -11.963) 24.380 11.215 ( 13.389 -10.905 -2.617) 17.465 11.439 ( 10.324 -6.979 4.191) 13.147 11.542 ( 3.119 -3.754 -0.402) 4.897 13.408 ( -23.520 20.408 0.631) 31.146 13.664 ( -6.488 7.412 2.942) 10.280 13.715 ( -2.512 -1.916 -0.007) 3.160 14.102 ( -6.390 -0.145 4.679) 7.921 14.346 ( -10.645 -9.704 0.924) 14.434 14.492 ( -10.334 -7.505 -4.638) 13.588 14.781 ( 3.077 -6.469 7.577) 10.427 15.187 ( 3.670 -1.888 -11.357) 12.084 15.908 ( 4.429 -0.692 3.330) 5.584 16.654 ( 10.648 -2.534 -6.707) 12.837 16.778 ( 10.132 14.542 1.948) 17.831 17.069 ( 5.010 -5.532 -1.737) 7.663 17.261 ( 11.923 19.060 5.506) 23.146 17.709 ( 0.113 -6.242 6.593) 9.079 18.014 ( -2.596 -5.855 -6.331) 9.006 18.214 ( -5.795 -14.144 -2.504) 15.489 19.108 ( -1.152 0.602 5.361) 5.516 19.341 ( -3.122 0.961 -5.321) 6.244 21.589 ( 3.420 1.224 -3.143) 4.803 21.678 ( 4.509 -0.226 8.389) 9.526 22.162 ( -11.370 7.445 13.136) 18.901 22.729 ( -14.038 -10.102 -12.491) 21.334 24.818 ( -1.348 -1.070 4.235) 4.571 25.093 ( -4.564 2.230 -2.422) 5.628 25.316 ( 2.540 4.389 -2.504) 5.656 25.487 ( 1.428 -3.772 1.082) 4.176 26.476 ( 3.028 -0.112 -4.877) 5.741 27.242 ( -6.455 6.463 0.437) 9.144 28.001 ( -0.870 1.062 6.154) 6.306 28.256 ( 6.910 4.412 0.340) 8.205 28.399 ( 4.247 -5.513 -6.762) 9.704 29.151 ( -1.309 -3.239 3.943) 5.268 ======================= Grid point 127 (53/141) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 9.653 -3.457 -1.134) 10.316 2.874 ( 7.366 -6.302 4.366) 10.631 3.249 ( -4.149 -5.226 1.049) 6.754 3.350 ( 8.455 7.032 3.409) 11.513 3.439 ( 4.006 -4.635 8.468) 10.451 3.565 ( 11.358 0.519 -1.964) 11.538 3.744 ( 10.179 -0.594 1.065) 10.252 4.001 ( 10.887 -11.630 8.378) 17.999 4.444 ( -8.349 8.986 9.048) 15.242 4.832 ( 3.905 11.128 -12.099) 16.896 5.368 ( 3.847 6.254 -4.271) 8.494 5.455 ( 4.812 -2.946 -0.657) 5.680 5.539 ( 22.320 19.728 -8.380) 30.945 5.849 ( -3.554 -9.951 -1.333) 10.651 6.155 ( -6.171 -1.737 3.968) 7.539 6.349 ( -0.720 -8.904 -0.163) 8.935 6.432 ( 1.605 -5.625 3.623) 6.881 7.034 ( -10.785 2.369 8.877) 14.168 7.432 ( -8.278 -6.508 2.332) 10.785 7.596 ( 17.503 -29.867 -10.511) 36.178 8.228 ( -3.509 -3.617 2.468) 5.611 8.271 ( -3.683 2.822 -3.093) 5.576 8.517 ( -5.456 16.024 5.849) 17.910 8.745 ( -7.594 12.422 13.104) 19.588 8.938 ( -0.941 2.453 -5.506) 6.101 9.389 ( 5.841 8.485 -6.894) 12.395 9.962 ( -11.577 6.099 -2.459) 13.314 10.163 ( -5.988 11.124 9.741) 15.952 10.389 ( -4.196 7.493 0.412) 8.598 10.551 ( 13.797 4.737 -4.274) 15.201 11.018 ( -0.800 -0.900 -8.187) 8.276 11.176 ( 1.743 -6.556 -10.394) 12.412 11.664 ( 5.877 -4.879 1.162) 7.727 12.026 ( 23.406 -24.238 3.816) 33.910 12.804 ( -20.380 18.049 -3.109) 27.400 13.447 ( -14.481 3.192 2.402) 15.022 13.832 ( -1.447 -7.604 0.663) 7.769 13.888 ( -12.607 7.502 2.668) 14.911 14.259 ( 0.742 8.020 -1.476) 8.188 14.487 ( -17.823 -19.017 2.978) 26.233 14.966 ( 2.933 -4.982 6.698) 8.848 15.270 ( 9.988 -7.809 -13.963) 18.860 16.002 ( 2.430 -1.460 5.140) 5.870 16.675 ( 4.013 11.282 -0.363) 11.980 16.822 ( 12.531 4.125 -1.810) 13.316 17.202 ( 10.027 1.544 -8.491) 13.230 17.212 ( 7.541 10.572 9.970) 16.372 17.625 ( -4.705 6.234 6.142) 9.936 18.118 ( -4.560 -13.498 -1.093) 14.290 18.395 ( -0.070 -18.691 -6.546) 19.804 19.108 ( -0.262 1.855 5.137) 5.468 19.244 ( -4.833 1.032 -5.574) 7.449 21.547 ( 1.505 3.731 -10.040) 10.816 21.821 ( 4.843 -4.731 6.917) 9.679 21.973 ( -5.030 11.237 7.515) 14.424 22.712 ( -11.730 -16.404 4.716) 20.711 24.820 ( -4.345 -1.313 3.541) 5.757 24.989 ( -2.035 3.553 -1.558) 4.381 25.260 ( -1.028 1.935 -7.963) 8.259 25.554 ( 2.821 -1.591 1.451) 3.548 26.510 ( 4.237 0.555 -1.494) 4.527 27.076 ( -4.192 7.383 -0.394) 8.499 28.005 ( -1.262 1.113 6.181) 6.405 28.270 ( 5.004 6.635 1.151) 8.389 28.482 ( 3.123 -4.263 -6.682) 8.519 29.207 ( -0.482 -5.613 1.322) 5.787 ======================= Grid point 128 (54/141) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 7.516 -3.233 -1.301) 8.284 2.875 ( -6.128 4.012 -4.485) 8.588 3.167 ( -2.095 7.933 0.180) 8.207 3.382 ( 6.681 11.659 5.826) 14.646 3.475 ( -5.002 2.451 9.007) 10.590 3.714 ( -1.380 -10.735 4.341) 11.661 4.012 ( 14.357 -6.003 2.051) 15.696 4.216 ( 7.702 8.946 -2.447) 12.055 4.522 ( 22.685 -6.268 5.531) 24.176 4.647 ( -1.866 5.635 -7.753) 9.764 5.319 ( 4.995 8.211 2.793) 10.009 5.455 ( 7.005 6.111 -15.019) 17.663 5.617 ( 13.682 3.543 -5.404) 15.131 5.959 ( 1.613 -1.712 4.470) 5.051 6.117 ( -6.406 -8.923 -1.094) 11.039 6.481 ( -1.104 -3.761 17.761) 18.189 6.612 ( -1.388 -19.090 -9.351) 21.302 6.998 ( -0.719 -3.815 13.798) 14.334 7.332 ( -8.473 9.273 1.432) 12.642 7.790 ( -4.815 1.712 -14.677) 15.541 8.090 ( -10.380 -3.221 -2.441) 11.139 8.228 ( -5.304 16.095 12.967) 21.338 8.499 ( 9.588 -12.985 -2.990) 16.416 8.638 ( -0.751 6.766 11.628) 13.474 8.851 ( -3.077 2.672 -5.022) 6.468 9.313 ( -0.272 3.130 -9.752) 10.245 9.728 ( -10.260 5.232 -0.060) 11.517 10.007 ( -3.837 8.382 10.657) 14.091 10.231 ( -1.094 9.650 -1.227) 9.789 10.693 ( 10.853 3.094 3.825) 11.916 10.743 ( -5.026 12.223 -5.301) 14.239 11.450 ( 8.411 -22.895 -17.766) 30.175 11.833 ( 7.256 -5.874 2.878) 9.770 12.319 ( -10.094 14.533 -6.225) 18.757 12.674 ( 16.540 -19.614 3.601) 25.909 13.172 ( -18.376 5.600 3.200) 19.475 13.628 ( -8.566 0.856 -3.408) 9.258 13.906 ( -4.877 -1.639 5.187) 7.306 14.215 ( 2.452 -1.197 -2.231) 3.525 14.477 ( -14.630 -11.290 4.698) 19.067 15.020 ( -1.218 0.281 -1.208) 1.738 15.504 ( 10.525 -11.372 -4.069) 16.020 15.998 ( -3.373 7.140 5.893) 9.853 16.605 ( 3.111 4.231 -0.508) 5.276 16.900 ( 7.688 6.537 0.942) 10.136 17.160 ( 12.191 16.081 -1.335) 20.224 17.395 ( 7.942 -9.522 0.630) 12.416 17.578 ( 5.797 7.186 5.929) 10.972 18.225 ( -6.161 -15.877 -1.414) 17.089 18.529 ( -4.359 -11.925 -6.358) 14.199 19.114 ( 0.443 2.062 0.219) 2.120 19.120 ( -6.014 1.320 -2.153) 6.523 21.453 ( 1.721 5.372 -11.043) 12.400 21.789 ( -4.647 6.823 4.821) 9.560 22.051 ( 9.471 -8.410 -0.463) 12.675 22.818 ( -12.216 -15.423 17.787) 26.523 24.749 ( -7.059 1.157 1.321) 7.274 24.951 ( 2.085 3.089 -0.467) 3.756 25.171 ( -2.915 -1.170 -9.895) 10.381 25.617 ( 3.297 -0.108 1.051) 3.462 26.553 ( 4.118 1.800 0.418) 4.513 26.937 ( -2.626 6.225 -0.675) 6.790 28.001 ( -1.591 1.315 5.921) 6.270 28.244 ( 2.483 6.596 2.140) 7.366 28.521 ( 2.617 -1.031 -5.987) 6.615 29.300 ( 1.328 -7.711 -1.298) 7.932 ======================= Grid point 129 (55/141) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -1.280 14.945 -2.206) 15.161 2.740 ( -3.921 9.315 -2.805) 10.488 2.983 ( -4.260 16.198 8.300) 18.693 3.268 ( -0.700 8.260 -1.925) 8.510 3.487 ( 3.612 0.206 8.012) 8.790 3.669 ( -8.958 4.554 -5.370) 11.394 4.237 ( 13.062 -5.578 -11.502) 18.276 4.327 ( 10.289 0.700 -2.293) 10.565 4.571 ( 1.602 2.232 7.390) 7.884 4.953 ( 20.310 -1.602 6.549) 21.400 5.241 ( -0.967 7.952 5.156) 9.526 5.520 ( 13.630 -4.596 -15.168) 20.904 5.765 ( 13.235 -0.881 -6.074) 14.589 5.938 ( -0.175 6.451 9.659) 11.616 6.210 ( -4.492 -13.453 -5.930) 15.373 6.508 ( -7.778 6.089 8.393) 12.962 6.685 ( -10.963 -5.014 7.199) 14.041 7.009 ( 2.133 19.915 5.591) 20.795 7.253 ( 4.040 -15.397 8.249) 17.928 7.633 ( -4.896 -4.327 -12.123) 13.772 8.020 ( -7.941 -2.435 -3.693) 9.090 8.080 ( -7.586 -2.328 6.511) 10.265 8.264 ( -13.522 25.138 -3.387) 28.745 8.768 ( -3.691 -0.468 -4.958) 6.199 8.803 ( 5.928 -2.450 10.947) 12.687 9.313 ( -3.036 -8.622 -0.136) 9.142 9.547 ( -2.631 5.318 -3.746) 7.017 9.976 ( -0.066 -1.112 3.169) 3.359 10.105 ( 1.133 9.921 1.320) 10.073 10.575 ( -1.202 -0.770 -3.161) 3.468 10.869 ( 11.503 1.591 4.110) 12.319 11.656 ( -2.909 -2.870 -6.206) 7.431 11.968 ( -2.349 9.076 -7.428) 11.961 12.088 ( 12.960 -8.813 -6.240) 16.869 12.863 ( -9.611 3.217 0.236) 10.138 13.081 ( 5.329 -7.720 2.455) 9.696 13.590 ( -5.862 -11.055 -8.783) 15.287 13.896 ( -3.995 -6.452 12.415) 14.551 14.300 ( 4.528 -3.906 -1.551) 6.178 14.426 ( -11.248 -5.186 4.825) 13.292 14.912 ( -7.272 5.774 -1.702) 9.441 15.762 ( 7.121 -6.519 -3.150) 10.155 15.859 ( -1.319 6.766 9.102) 11.418 16.631 ( -0.318 -3.684 -1.831) 4.126 16.870 ( 2.959 10.792 4.232) 11.963 17.131 ( 11.946 14.313 0.049) 18.643 17.548 ( 7.017 6.443 -0.560) 9.542 17.741 ( 15.387 -7.527 2.609) 17.327 18.328 ( -7.031 -15.157 -3.400) 17.051 18.556 ( -4.783 -9.024 -4.739) 11.259 18.960 ( -8.339 1.534 -5.548) 10.132 19.114 ( 0.220 2.695 1.432) 3.060 21.349 ( 1.549 6.022 -7.978) 10.115 21.703 ( 1.221 4.966 0.391) 5.129 22.297 ( 6.276 -12.655 -3.770) 14.620 22.950 ( -12.314 -15.512 23.533) 30.758 24.638 ( -5.951 2.059 0.561) 6.322 24.903 ( 0.857 5.458 -6.448) 8.491 25.155 ( -0.042 -5.401 -2.997) 6.177 25.651 ( 2.419 1.565 -0.566) 2.936 26.573 ( 3.163 4.066 1.407) 5.340 26.839 ( -1.651 3.665 -0.356) 4.036 27.990 ( -1.888 1.297 5.581) 6.032 28.190 ( -0.375 6.313 2.853) 6.938 28.532 ( 3.189 1.069 -3.628) 4.948 29.423 ( 2.781 -9.134 -5.169) 10.857 ======================= Grid point 130 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -10.096 28.292 -0.144) 30.040 2.388 ( 0.710 26.484 3.927) 26.783 2.808 ( -2.999 9.187 10.931) 14.590 3.203 ( 2.647 0.492 -9.561) 9.933 3.413 ( -7.527 9.129 -9.421) 15.125 3.608 ( 5.431 -0.368 7.280) 9.091 4.248 ( -0.800 11.415 -9.890) 15.125 4.381 ( 10.304 2.643 -12.457) 16.381 4.700 ( 5.191 0.885 17.386) 18.166 5.018 ( 1.081 13.928 5.123) 14.880 5.394 ( 10.966 -7.851 6.489) 14.966 5.616 ( 12.698 12.222 -9.530) 20.036 5.802 ( -15.072 2.035 7.335) 16.885 5.925 ( -0.161 6.346 -0.335) 6.357 6.199 ( 2.419 -2.894 -1.860) 4.205 6.276 ( 3.529 9.245 -8.581) 13.098 6.669 ( -10.547 -4.332 17.930) 21.248 7.007 ( 7.077 0.550 0.613) 7.125 7.433 ( -8.841 -5.680 1.204) 10.577 7.683 ( 0.391 -14.932 -6.687) 16.366 7.771 ( -5.205 6.280 -0.139) 8.157 7.961 ( -2.338 -1.329 -7.410) 7.883 8.153 ( -5.495 -13.966 6.157) 16.222 8.646 ( -9.375 1.094 -2.831) 9.854 8.943 ( 2.978 -0.907 10.069) 10.539 9.342 ( -2.715 -2.310 1.576) 3.897 9.518 ( 3.695 -0.638 -1.488) 4.034 10.027 ( 0.486 0.807 0.723) 1.187 10.061 ( 5.834 -0.839 -0.219) 5.898 10.628 ( 1.746 -3.520 1.117) 4.085 10.994 ( 6.207 2.731 2.942) 7.391 11.337 ( -14.148 15.170 -3.735) 21.078 11.954 ( 7.693 2.103 -5.877) 9.907 12.241 ( 5.424 6.957 -7.238) 11.411 12.883 ( 6.212 -12.257 -2.834) 14.031 13.207 ( 0.122 -8.720 4.037) 9.610 13.558 ( -7.554 -8.683 -10.925) 15.869 14.101 ( -4.290 -19.572 6.519) 21.070 14.322 ( -9.072 5.085 6.223) 12.119 14.434 ( 4.384 -4.119 8.700) 10.578 14.724 ( -2.578 5.204 -2.674) 6.394 15.695 ( -2.730 5.878 -0.687) 6.517 16.030 ( 6.677 -5.408 5.433) 10.166 16.622 ( -3.553 0.041 -3.302) 4.851 16.798 ( 1.234 8.150 8.565) 11.888 17.090 ( 7.820 15.194 0.701) 17.103 17.499 ( 4.384 10.758 -3.647) 12.176 18.089 ( 16.178 -8.532 0.996) 18.318 18.353 ( -7.959 -9.312 -7.430) 14.328 18.579 ( -3.550 -4.011 -8.878) 10.369 18.846 ( -4.605 -5.876 -1.173) 7.557 19.062 ( -2.012 3.544 -0.200) 4.080 21.271 ( 2.049 5.219 -3.074) 6.394 21.687 ( 4.506 3.538 -3.371) 6.647 22.477 ( -0.157 -9.196 3.466) 9.828 23.143 ( -10.156 -22.095 16.223) 29.232 24.545 ( -3.892 1.929 0.492) 4.371 24.794 ( 0.873 5.711 -9.113) 10.790 25.252 ( 2.936 -5.641 2.380) 6.791 25.637 ( 1.276 3.218 -2.086) 4.042 26.548 ( 2.142 6.885 2.752) 7.718 26.794 ( -1.255 0.329 -0.035) 1.298 27.974 ( -2.370 1.067 5.348) 5.947 28.105 ( -2.069 6.198 3.106) 7.235 28.553 ( 3.587 1.526 -0.073) 3.899 29.545 ( 2.857 -9.493 -10.726) 14.606 ======================= Grid point 131 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -6.061 28.411 8.489) 30.265 2.034 ( -2.139 31.314 9.919) 32.917 2.768 ( 2.253 6.083 10.528) 12.365 3.145 ( -2.780 9.336 -9.264) 13.443 3.205 ( 5.735 5.269 -9.280) 12.115 3.676 ( 0.999 3.246 4.640) 5.750 3.967 ( -4.367 17.380 -6.317) 19.001 4.298 ( 5.598 19.073 -13.190) 23.856 4.763 ( 1.014 16.661 12.207) 20.679 4.835 ( -4.772 5.952 6.184) 9.821 5.333 ( -5.787 23.888 2.258) 24.682 5.410 ( -3.804 20.046 8.746) 22.199 5.735 ( -1.963 -6.268 -1.622) 6.765 5.968 ( 6.256 -13.125 2.058) 14.684 6.228 ( 7.488 4.527 -13.467) 16.059 6.348 ( 4.287 -6.928 -2.432) 8.503 6.707 ( -6.764 -12.885 12.345) 19.084 7.125 ( 6.600 -0.360 -2.063) 6.924 7.293 ( -12.797 -3.571 4.628) 14.068 7.813 ( -3.160 -9.136 -10.288) 14.117 7.906 ( 1.921 -20.868 -4.822) 21.504 8.021 ( 6.664 -9.238 -4.312) 12.180 8.227 ( -7.928 -1.203 9.443) 12.388 8.603 ( 0.086 -12.164 3.975) 12.797 9.024 ( -1.623 -5.600 4.522) 7.378 9.348 ( -0.067 -0.597 2.526) 2.596 9.611 ( 6.424 -2.696 -0.839) 7.017 10.037 ( 0.504 6.347 13.826) 15.222 10.187 ( 5.378 -7.908 -9.435) 13.434 10.583 ( -3.900 14.899 2.765) 15.647 10.912 ( 0.843 9.042 1.199) 9.160 11.153 ( -0.679 -3.719 -4.365) 5.774 11.972 ( 2.249 3.105 -4.130) 5.636 12.074 ( 0.744 15.164 -7.443) 16.908 13.072 ( 3.976 -3.913 -0.594) 5.610 13.458 ( 6.394 -11.514 -4.091) 13.791 13.563 ( -4.713 -19.197 2.033) 19.872 14.081 ( -15.390 5.523 6.907) 17.750 14.334 ( -0.759 -22.316 -5.286) 22.946 14.552 ( 8.921 8.476 7.917) 14.633 14.784 ( 3.581 -7.525 8.463) 11.878 15.558 ( -6.439 3.962 -3.683) 8.409 16.150 ( 3.049 2.622 4.576) 6.092 16.501 ( -3.606 8.527 -0.983) 9.310 16.792 ( -0.395 1.273 7.499) 7.617 16.946 ( -1.252 13.493 -1.728) 13.661 17.367 ( -0.138 12.154 -1.540) 12.252 18.234 ( 2.642 6.968 -25.074) 26.158 18.390 ( 5.955 -2.260 -0.098) 6.370 18.468 ( -6.964 -7.885 -3.430) 11.065 18.971 ( 3.385 -0.791 0.467) 3.508 18.998 ( -1.727 -7.886 0.534) 8.091 21.242 ( 2.352 3.405 1.158) 4.298 21.665 ( 0.732 3.119 -6.007) 6.809 22.643 ( 4.260 -7.261 18.240) 20.088 23.333 ( -17.002 -25.777 1.061) 30.898 24.495 ( 0.064 1.394 0.524) 1.491 24.712 ( 4.255 4.777 -7.468) 9.833 25.382 ( 2.603 -4.300 4.082) 6.475 25.594 ( 1.720 3.954 -2.348) 4.910 26.518 ( 3.612 5.386 6.304) 9.045 26.778 ( -1.944 -0.927 -1.037) 2.390 27.953 ( -2.805 0.753 5.279) 6.025 28.017 ( -2.089 5.193 3.504) 6.604 28.589 ( 3.006 1.571 3.219) 4.676 29.604 ( -0.245 -6.749 -17.545) 18.800 ======================= Grid point 132 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 5.088 18.691 23.872) 30.743 1.691 ( 1.975 28.136 16.837) 32.848 2.766 ( 1.489 3.776 -5.930) 7.186 2.992 ( 5.343 14.731 12.293) 19.916 3.126 ( 4.119 12.565 -10.174) 16.684 3.546 ( -0.486 17.362 -6.077) 18.401 3.712 ( -4.661 6.492 -0.615) 8.015 3.975 ( 1.156 24.876 -1.721) 24.962 4.505 ( 6.274 27.305 -1.099) 28.038 4.796 ( -5.349 1.328 8.404) 10.050 4.943 ( -9.988 13.655 1.817) 17.015 5.279 ( 5.199 8.325 3.428) 10.397 5.774 ( -4.384 -6.210 -2.730) 8.077 6.177 ( 1.822 -2.933 -4.539) 5.703 6.292 ( 8.367 -9.384 -1.203) 12.630 6.453 ( 3.739 -6.145 -9.434) 11.864 6.879 ( -8.441 -11.179 9.411) 16.876 7.083 ( -4.416 6.306 9.390) 12.142 7.282 ( -6.006 -8.841 1.461) 10.787 7.724 ( -12.796 -6.188 -8.713) 16.672 8.147 ( 0.875 -13.430 0.123) 13.459 8.220 ( 5.830 -7.169 0.445) 9.251 8.274 ( -0.468 -14.016 0.897) 14.052 8.941 ( 15.219 -16.880 0.638) 22.736 9.128 ( -3.469 -13.184 3.683) 14.121 9.380 ( 0.300 -1.867 1.986) 2.742 9.736 ( 1.310 -1.562 3.285) 3.867 9.875 ( -12.709 10.415 6.393) 17.631 10.281 ( 9.686 2.116 -9.065) 13.434 10.397 ( 4.070 10.394 7.451) 13.421 10.914 ( 8.710 7.296 3.108) 11.780 11.168 ( -2.498 -5.468 -7.023) 9.245 11.800 ( -3.388 13.720 -5.703) 15.239 11.924 ( -1.444 5.952 -4.875) 7.828 13.156 ( 3.310 -1.821 4.071) 5.554 13.508 ( 3.680 0.078 -5.871) 6.930 13.882 ( -13.257 -9.062 1.531) 16.131 13.955 ( -1.378 -24.201 10.681) 26.490 14.590 ( 11.775 6.426 1.705) 13.522 14.628 ( 6.310 -12.876 -4.874) 15.145 14.965 ( -2.363 -10.328 13.949) 17.517 15.402 ( -6.972 0.074 -5.401) 8.820 16.076 ( -1.574 14.273 2.092) 14.511 16.293 ( -4.169 14.832 1.440) 15.474 16.692 ( -7.379 7.900 -3.917) 11.498 16.844 ( 0.124 -0.859 2.701) 2.837 17.176 ( -4.692 10.536 1.034) 11.580 17.951 ( 13.354 27.496 -30.478) 43.166 18.344 ( -12.699 -8.311 2.577) 15.395 18.588 ( 3.540 -2.492 -3.267) 5.424 18.956 ( 2.389 1.458 1.882) 3.373 19.194 ( 4.699 -9.739 0.019) 10.814 21.253 ( 1.926 1.509 3.276) 4.089 21.567 ( -3.279 4.002 -2.380) 5.695 23.004 ( 9.891 -14.398 20.283) 26.768 23.280 ( -27.529 -16.959 -6.608) 33.002 24.523 ( 4.877 0.155 0.018) 4.879 24.728 ( 7.419 0.562 -4.730) 8.817 25.414 ( -3.444 0.615 0.986) 3.635 25.587 ( 3.873 3.387 -1.043) 5.250 26.644 ( 7.718 -6.259 9.348) 13.643 26.747 ( -0.961 -1.103 -2.540) 2.931 27.933 ( -1.270 2.336 4.548) 5.268 27.962 ( -2.539 1.008 5.067) 5.756 28.619 ( 1.403 2.413 4.480) 5.278 29.489 ( -5.604 3.380 -20.449) 21.471 ======================= Grid point 136 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 9.043 0.000 0.340) 9.050 2.694 ( 11.253 0.000 6.193) 12.845 3.118 ( -5.384 -0.000 0.884) 5.456 3.351 ( 3.785 0.000 8.119) 8.958 3.493 ( 14.831 0.000 -3.712) 15.288 3.630 ( 19.990 0.000 2.149) 20.105 3.759 ( 8.071 0.000 9.291) 12.307 3.783 ( 4.480 0.000 -0.315) 4.491 4.547 ( -11.983 -0.000 16.517) 20.406 5.110 ( 6.252 0.000 5.888) 8.588 5.155 ( 16.249 0.000 -22.731) 27.942 5.673 ( -8.965 -0.000 -2.089) 9.205 5.768 ( 2.825 0.000 7.403) 7.923 5.835 ( -0.661 -0.000 -2.634) 2.715 6.076 ( -5.015 -0.000 -5.930) 7.767 6.183 ( 14.873 0.000 -2.780) 15.131 6.741 ( 19.360 0.000 -4.011) 19.771 6.746 ( 6.562 0.000 -2.982) 7.207 7.101 ( -14.503 -0.000 5.215) 15.412 7.279 ( -6.732 -0.000 6.526) 9.376 8.211 ( -5.905 -0.000 -1.056) 5.998 8.291 ( -3.169 -0.000 -7.526) 8.166 8.661 ( -4.006 -0.000 10.020) 10.791 8.920 ( -0.322 -0.000 -6.194) 6.202 9.051 ( 0.547 0.000 16.786) 16.795 9.668 ( -4.694 -0.000 -5.252) 7.044 10.046 ( -17.772 -0.000 -5.126) 18.497 10.302 ( 1.126 0.000 -6.869) 6.961 10.382 ( -9.588 -0.000 2.619) 9.939 10.505 ( 2.401 0.000 -1.529) 2.847 11.143 ( 15.203 0.000 -2.675) 15.436 11.231 ( 22.941 0.000 -9.886) 24.981 11.506 ( -0.394 -0.000 -2.974) 3.000 11.616 ( 13.854 0.000 9.968) 17.067 13.250 ( -26.037 -0.000 4.720) 26.461 13.601 ( -21.503 -0.000 -0.371) 21.506 13.611 ( -25.667 -0.000 -0.349) 25.669 13.693 ( 1.778 0.000 3.042) 3.524 14.314 ( 5.742 0.000 -0.240) 5.747 14.394 ( -8.656 -0.000 1.212) 8.740 14.884 ( 10.088 0.000 6.180) 11.831 15.166 ( 6.260 0.000 -15.320) 16.550 15.986 ( 4.951 0.000 4.798) 6.895 16.722 ( 8.582 0.000 -7.666) 11.507 17.046 ( 3.020 0.000 -4.844) 5.709 17.090 ( 11.528 0.000 6.833) 13.401 17.661 ( -1.938 -0.000 22.214) 22.299 17.689 ( 13.518 0.000 -9.252) 16.381 17.876 ( -4.002 -0.000 -9.020) 9.868 17.971 ( -7.268 -0.000 -1.143) 7.358 19.132 ( -0.519 -0.000 6.278) 6.299 19.262 ( -4.816 -0.000 -5.622) 7.402 21.593 ( 1.630 0.000 -10.379) 10.506 21.766 ( 2.756 0.000 9.171) 9.576 22.250 ( -3.772 -0.000 27.966) 28.219 22.360 ( -12.677 -0.000 -19.900) 23.594 24.801 ( -3.085 -0.000 4.209) 5.219 25.038 ( -3.868 -0.000 -1.763) 4.250 25.287 ( -3.097 -0.000 -9.320) 9.821 25.533 ( 4.405 0.000 3.522) 5.640 26.518 ( 4.831 0.000 -1.231) 4.985 27.183 ( -6.549 -0.000 -1.271) 6.672 28.023 ( -1.775 -0.000 6.707) 6.938 28.382 ( 6.161 0.000 0.731) 6.205 28.409 ( 6.236 0.000 -6.299) 8.864 29.116 ( -2.296 -0.000 1.684) 2.848 ======================= Grid point 137 (60/141) ======================= q-point: ( 0.40 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 7.049 0.546 0.887) 7.126 2.897 ( 0.012 -0.915 -1.614) 1.856 3.015 ( -4.046 -11.137 1.499) 11.944 3.420 ( -1.118 -1.743 8.943) 9.179 3.618 ( 7.994 0.245 -4.712) 9.283 3.727 ( 4.616 9.497 7.036) 12.689 3.970 ( 15.174 1.512 4.589) 15.925 4.149 ( 23.862 -8.860 5.888) 26.126 4.482 ( -2.962 1.035 15.972) 16.277 5.008 ( 4.864 17.624 -16.876) 24.881 5.314 ( 4.223 -5.666 -11.462) 13.465 5.590 ( -7.091 -4.857 1.227) 8.682 5.671 ( 0.400 5.726 -3.443) 6.693 5.876 ( 2.044 -1.230 3.270) 4.048 6.086 ( -3.183 -12.226 -2.927) 12.968 6.376 ( 21.418 17.372 -2.231) 27.668 6.577 ( 6.236 9.873 4.553) 12.534 6.958 ( -8.842 -0.093 9.772) 13.179 7.193 ( -10.014 -11.695 5.134) 16.230 7.381 ( 11.150 -24.112 -8.882) 28.011 8.150 ( -1.347 -2.012 -1.666) 2.939 8.224 ( -0.848 -1.259 -8.441) 8.576 8.639 ( -1.711 5.204 9.827) 11.250 8.879 ( -0.098 2.476 -1.324) 2.810 8.997 ( -5.296 16.661 10.704) 20.499 9.509 ( -2.221 7.350 -8.335) 11.333 9.767 ( -16.166 -0.107 -3.437) 16.527 10.147 ( -7.719 6.077 0.502) 9.837 10.383 ( -3.094 -2.052 9.208) 9.929 10.707 ( 6.653 -20.057 -11.846) 24.226 11.063 ( 17.043 24.033 -5.976) 30.063 11.280 ( -3.809 14.802 -3.067) 15.589 11.685 ( 9.336 -10.274 -0.178) 13.883 12.062 ( 21.760 -21.480 5.641) 31.092 12.755 ( -19.524 18.331 -0.005) 26.781 13.263 ( -19.184 1.856 2.521) 19.438 13.421 ( -28.067 -15.759 -2.866) 32.316 13.783 ( -1.620 -8.772 7.432) 11.611 14.224 ( -10.377 5.803 1.031) 11.934 14.399 ( 6.594 0.448 0.273) 6.614 15.033 ( 5.821 1.158 1.757) 6.190 15.246 ( 10.774 -7.131 -11.995) 17.630 16.089 ( 6.011 1.216 5.196) 8.038 16.781 ( 4.177 4.448 -4.742) 7.728 17.028 ( 6.048 2.530 -5.643) 8.650 17.224 ( 3.241 1.191 1.806) 3.897 17.624 ( 6.969 16.015 -0.567) 17.475 17.671 ( -0.962 -0.438 14.189) 14.228 17.854 ( -5.180 -8.217 -5.589) 11.207 18.143 ( 1.957 -17.281 -0.989) 17.420 19.152 ( -3.902 0.971 -0.899) 4.120 19.155 ( -1.506 0.849 0.311) 1.757 21.547 ( 1.830 1.745 -10.884) 11.174 21.857 ( 0.758 -1.239 9.780) 9.887 22.044 ( -4.295 6.794 -11.803) 14.280 22.450 ( -6.122 -11.713 20.596) 24.471 24.769 ( -4.396 0.456 3.105) 5.402 24.985 ( -1.821 0.030 -0.183) 1.830 25.178 ( -3.642 0.890 -11.190) 11.802 25.611 ( 4.083 -0.254 2.041) 4.572 26.583 ( 4.587 0.594 1.111) 4.757 27.071 ( -4.885 3.116 -1.900) 6.098 28.027 ( -2.215 0.559 7.003) 7.366 28.417 ( 4.536 5.409 -0.894) 7.115 28.486 ( 5.922 -1.373 -3.809) 7.174 29.119 ( -1.883 -4.966 -0.727) 5.361 ======================= Grid point 138 (61/141) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -4.344 -4.701 -2.461) 6.858 2.806 ( 1.421 1.731 -3.505) 4.159 3.216 ( 4.354 -5.157 3.785) 7.738 3.467 ( -2.498 -1.721 9.062) 9.556 3.646 ( -2.442 1.309 2.269) 3.582 3.666 ( 2.652 14.014 6.670) 15.745 4.134 ( 9.532 -1.143 -4.152) 10.459 4.449 ( 14.247 3.770 6.527) 16.119 4.693 ( -1.839 11.991 -8.632) 14.889 4.803 ( 23.584 -6.120 3.201) 24.574 5.312 ( -1.620 -4.827 -12.366) 13.373 5.515 ( -2.180 7.870 4.482) 9.316 5.703 ( -2.297 -11.346 -2.679) 11.882 5.959 ( 4.637 -1.482 2.013) 5.268 6.216 ( -1.467 -6.942 -11.409) 13.435 6.327 ( 10.373 9.566 8.880) 16.672 6.616 ( 2.709 6.468 5.916) 9.174 7.017 ( 1.533 -5.404 15.728) 16.701 7.199 ( -6.322 -8.832 -0.010) 10.862 7.591 ( -4.021 -10.706 -14.219) 18.248 8.046 ( -3.311 9.491 -5.834) 11.623 8.371 ( 2.333 -5.656 4.208) 7.426 8.537 ( 2.422 14.166 3.641) 14.826 8.800 ( 2.582 6.188 8.719) 10.999 8.833 ( -3.367 4.888 0.103) 5.936 9.251 ( -11.725 7.241 -10.255) 17.177 9.605 ( -10.265 -1.358 0.435) 10.363 9.991 ( -4.555 4.179 -0.394) 6.194 10.380 ( -1.027 5.517 7.321) 9.224 10.762 ( -10.263 8.673 -5.525) 14.528 11.025 ( 15.747 13.547 -0.709) 20.784 11.237 ( 13.158 -15.521 -9.308) 22.376 11.915 ( 10.244 -4.182 3.383) 11.570 12.329 ( -10.098 14.352 -6.021) 18.553 12.667 ( 16.840 -22.915 2.816) 28.576 12.977 ( -19.079 2.071 2.714) 19.382 13.245 ( -21.842 -15.057 -3.848) 26.807 13.891 ( -7.531 -0.678 11.713) 13.942 14.030 ( -6.964 -5.171 -2.463) 9.017 14.488 ( 7.878 2.477 1.639) 8.420 15.025 ( -0.022 4.634 -2.988) 5.514 15.491 ( 10.546 -10.967 -2.265) 15.383 16.128 ( 3.099 8.837 4.573) 10.422 16.642 ( -3.624 6.837 -5.721) 9.624 17.083 ( 4.374 5.306 0.602) 6.903 17.292 ( 6.135 -9.594 -8.994) 14.511 17.577 ( 9.425 11.817 9.735) 17.979 17.802 ( 9.502 2.434 6.126) 11.565 17.872 ( -9.780 -15.668 -4.890) 19.106 18.311 ( -2.985 -10.509 1.718) 11.059 19.022 ( -6.019 2.665 -5.063) 8.304 19.166 ( 0.607 1.067 1.540) 1.969 21.486 ( 2.202 4.020 -9.272) 10.343 21.807 ( -3.530 3.295 -3.512) 5.970 22.047 ( 5.382 -6.026 -0.409) 8.089 22.602 ( -9.360 -11.193 21.087) 25.642 24.695 ( -4.932 2.296 1.468) 5.635 25.006 ( 1.691 -2.201 2.693) 3.867 25.052 ( -2.975 1.855 -11.630) 12.147 25.667 ( 2.626 -0.052 -0.023) 2.626 26.635 ( 3.289 1.351 2.091) 4.125 26.960 ( -2.712 4.214 -1.597) 5.260 28.021 ( -2.610 0.923 6.936) 7.468 28.376 ( 2.483 7.642 -0.294) 8.041 28.552 ( 4.914 0.297 -2.779) 5.653 29.182 ( -0.596 -8.749 -3.389) 9.401 ======================= Grid point 139 (62/141) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.732 -2.776 -2.780) 3.996 2.796 ( 2.459 6.530 -1.747) 7.193 3.204 ( -1.206 14.303 4.411) 15.016 3.417 ( -4.161 14.926 2.473) 15.691 3.513 ( -7.090 0.610 -4.973) 8.682 3.605 ( 0.454 1.301 9.843) 9.939 4.268 ( 9.789 -4.440 -11.325) 15.614 4.461 ( 4.619 7.088 -11.153) 13.999 4.700 ( 9.395 -0.039 12.444) 15.593 5.189 ( 11.417 -4.411 6.510) 13.863 5.344 ( -2.987 7.264 9.152) 12.060 5.435 ( 5.799 -12.460 -11.087) 17.658 5.793 ( -5.368 -8.022 -2.730) 10.030 6.049 ( 3.813 2.679 1.489) 4.892 6.076 ( -3.032 1.404 -7.443) 8.158 6.518 ( 4.948 -5.667 6.624) 10.023 6.574 ( -4.120 3.498 7.922) 9.590 7.167 ( -1.802 -6.489 3.847) 7.756 7.288 ( 10.168 -0.131 5.208) 11.425 7.569 ( -0.903 -4.814 -8.869) 10.132 7.821 ( -3.107 12.002 -3.789) 12.963 8.167 ( -6.632 18.496 8.465) 21.395 8.403 ( -10.560 25.981 -3.038) 28.209 8.648 ( -6.394 -3.050 -4.613) 8.453 8.922 ( 7.222 -1.029 6.403) 9.707 9.126 ( -4.670 -10.643 -1.382) 11.705 9.497 ( -5.631 -1.396 -0.049) 5.801 9.912 ( -1.240 -0.464 -5.827) 5.976 10.305 ( 0.100 9.158 5.270) 10.567 10.544 ( -2.937 2.057 -0.549) 3.627 11.115 ( 12.662 5.749 0.565) 13.918 11.547 ( 1.247 -5.521 -1.130) 5.771 12.042 ( 2.368 8.378 -7.822) 11.704 12.159 ( 14.387 -6.781 -2.584) 16.114 12.743 ( -11.141 0.564 1.469) 11.252 13.019 ( -6.828 -12.465 3.438) 14.622 13.243 ( -0.482 -16.348 -8.755) 18.550 13.727 ( -12.292 -3.470 -1.521) 12.863 14.164 ( -1.717 -11.432 11.933) 16.614 14.561 ( 7.459 5.453 3.693) 9.950 14.905 ( -2.572 7.903 -1.071) 8.380 15.745 ( 5.409 -7.949 -0.177) 9.617 15.999 ( -0.829 11.433 5.401) 12.671 16.551 ( -1.340 -2.158 -7.311) 7.740 17.030 ( -0.484 6.466 3.029) 7.157 17.412 ( 6.546 5.271 -1.507) 8.538 17.683 ( 7.233 2.668 0.385) 7.719 17.863 ( 6.983 -3.889 -1.417) 8.117 17.974 ( -7.338 -16.993 -2.798) 18.720 18.415 ( 0.492 -7.033 7.427) 10.240 18.865 ( -5.219 4.510 -6.590) 9.540 19.148 ( -0.662 2.192 -1.140) 2.558 21.414 ( 2.351 5.421 -6.128) 8.513 21.736 ( 0.481 0.484 -7.486) 7.517 22.234 ( 6.095 -8.443 4.433) 11.318 22.696 ( -13.360 -12.900 16.938) 25.135 24.606 ( -3.439 2.795 0.835) 4.510 24.929 ( -0.732 3.872 -10.166) 10.903 25.109 ( 3.552 -4.589 4.505) 7.346 25.680 ( 0.496 0.410 -2.380) 2.465 26.659 ( 1.636 2.190 2.436) 3.662 26.872 ( -0.812 4.525 -0.859) 4.677 28.003 ( -2.977 1.158 6.486) 7.230 28.295 ( 0.690 8.219 0.631) 8.272 28.591 ( 3.846 1.346 -0.519) 4.108 29.280 ( 0.375 -10.492 -7.123) 12.687 ======================= Grid point 140 (63/141) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -2.044 21.227 -2.541) 21.476 2.718 ( 5.162 14.949 1.162) 15.858 2.967 ( -3.755 13.191 7.436) 15.601 3.216 ( 0.897 3.211 -10.074) 10.611 3.343 ( -7.123 5.034 -2.861) 9.180 3.700 ( 1.595 -1.245 8.709) 8.941 4.302 ( 0.495 4.614 -11.577) 12.472 4.447 ( 9.263 -1.579 -16.030) 18.581 4.877 ( 5.550 2.062 14.648) 15.799 5.115 ( -13.891 9.828 12.528) 21.131 5.464 ( 8.432 -9.961 6.600) 14.625 5.574 ( -24.508 4.290 3.272) 25.095 5.742 ( 14.285 -12.171 -8.921) 20.779 5.988 ( -0.410 1.315 -6.063) 6.218 6.172 ( 9.319 -2.251 -5.227) 10.920 6.453 ( -9.417 5.636 0.443) 10.984 6.634 ( 1.756 3.345 17.045) 17.458 7.244 ( 8.415 -0.496 -3.423) 9.098 7.305 ( -9.294 19.715 4.184) 22.194 7.592 ( 5.905 2.251 -3.566) 7.256 7.687 ( -2.549 -9.461 -1.876) 9.977 7.960 ( -0.989 5.067 0.704) 5.210 8.053 ( 1.509 5.483 3.744) 6.808 8.519 ( -10.346 2.767 -2.451) 10.986 9.009 ( 2.600 1.521 2.695) 4.042 9.224 ( -3.006 -10.692 -1.433) 11.199 9.526 ( 3.505 -4.383 -0.237) 5.617 9.924 ( 1.330 -7.249 -5.747) 9.346 10.241 ( 0.811 6.426 7.646) 10.020 10.596 ( 2.590 -5.826 3.748) 7.396 11.170 ( 1.957 9.300 4.573) 10.546 11.338 ( -5.912 12.139 -8.225) 15.810 12.052 ( 5.712 2.295 -4.087) 7.389 12.354 ( 4.043 5.145 -5.290) 8.415 12.800 ( 8.445 -15.046 2.208) 17.395 13.055 ( -9.801 -13.804 1.907) 17.036 13.321 ( 2.388 -2.034 -10.581) 11.036 13.751 ( -3.805 -20.758 -7.655) 22.449 14.271 ( -8.528 0.266 12.839) 15.416 14.617 ( 3.377 -1.396 8.799) 9.528 14.820 ( 8.028 10.107 4.380) 13.630 15.681 ( -6.908 6.088 -5.428) 10.689 16.077 ( 4.295 -5.575 9.551) 11.863 16.524 ( -2.144 -2.202 -7.766) 8.352 16.960 ( -0.443 7.140 7.163) 10.123 17.302 ( -5.324 12.752 1.026) 13.856 17.611 ( -1.398 6.383 -6.705) 9.362 18.045 ( -7.479 -14.266 -3.615) 16.508 18.156 ( 11.848 -12.875 0.429) 17.502 18.547 ( 5.130 2.425 -2.083) 6.044 18.747 ( 0.089 -2.035 -1.736) 2.676 19.083 ( -1.448 3.521 -2.292) 4.444 21.357 ( 2.709 5.132 -2.932) 6.501 21.702 ( 0.059 -0.295 -9.014) 9.019 22.473 ( 7.609 -6.754 11.855) 15.622 22.752 ( -15.891 -17.880 8.240) 25.301 24.546 ( -0.637 2.453 0.512) 2.586 24.831 ( 1.209 4.102 -8.363) 9.393 25.258 ( 4.572 -4.770 5.905) 8.862 25.649 ( -1.117 0.636 -4.042) 4.242 26.648 ( 0.215 3.447 3.058) 4.613 26.811 ( 0.090 3.759 -0.523) 3.796 27.976 ( -3.277 1.195 5.809) 6.776 28.196 ( -0.382 8.094 1.409) 8.225 28.626 ( 2.911 1.283 2.638) 4.133 29.373 ( 0.170 -10.277 -11.662) 15.545 ======================= Grid point 141 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.493 26.595 5.046) 27.184 2.449 ( 0.886 28.480 5.653) 29.049 2.886 ( 0.365 5.024 -0.854) 5.110 3.194 ( -1.412 3.477 1.147) 3.925 3.266 ( 10.094 -0.219 -11.217) 15.091 3.710 ( -6.174 1.381 6.235) 8.883 4.093 ( -4.205 13.956 -9.620) 17.464 4.491 ( 11.245 5.240 -21.799) 25.082 4.819 ( -13.172 7.773 10.392) 18.490 4.929 ( -7.426 8.963 16.497) 20.190 5.211 ( -23.221 -6.191 -0.536) 24.038 5.705 ( 3.683 -3.976 7.884) 9.567 5.785 ( -1.849 27.659 0.755) 27.731 6.064 ( 18.634 -6.761 -2.864) 20.029 6.198 ( -9.943 4.086 -5.735) 12.184 6.324 ( 5.961 -6.233 -1.090) 8.693 6.667 ( -1.489 4.781 17.122) 17.839 7.002 ( -14.719 -7.461 2.013) 16.625 7.357 ( 16.222 9.163 -3.762) 19.007 7.624 ( -2.255 -5.918 -10.533) 12.291 7.783 ( 2.737 0.271 0.708) 2.840 7.943 ( 6.603 -8.572 -11.076) 15.485 8.231 ( -0.372 1.903 12.289) 12.441 8.418 ( -1.770 -16.715 7.155) 18.268 9.022 ( 2.794 1.531 -0.614) 3.245 9.289 ( -1.903 -6.869 -3.166) 7.799 9.644 ( 5.687 -3.872 -1.198) 6.983 10.066 ( 0.898 -10.649 0.876) 10.722 10.205 ( -2.312 7.385 10.363) 12.933 10.703 ( 1.223 2.856 2.229) 3.824 10.909 ( -9.519 3.631 -1.665) 10.323 11.267 ( 11.513 9.263 -5.074) 15.624 12.021 ( -0.854 6.202 -1.935) 6.553 12.200 ( -0.812 10.908 -9.425) 14.438 13.068 ( 4.440 -5.005 -1.110) 6.782 13.162 ( -9.339 -21.939 1.350) 23.883 13.397 ( 6.263 -8.785 -4.524) 11.700 14.058 ( 13.219 -24.094 -10.200) 29.314 14.096 ( -10.025 10.288 10.849) 18.001 14.743 ( -1.808 -5.783 5.490) 8.176 14.902 ( 11.923 9.292 16.891) 22.667 15.458 ( -8.884 4.374 -9.052) 13.416 16.217 ( 0.029 -2.275 9.642) 9.907 16.458 ( -3.792 0.259 -6.113) 7.198 16.903 ( -1.781 7.751 9.377) 12.295 17.003 ( -9.902 12.012 -3.988) 16.070 17.432 ( -7.145 7.512 -4.210) 11.190 18.075 ( -12.651 -11.516 1.972) 17.221 18.428 ( 12.934 1.544 -18.335) 22.490 18.485 ( 8.344 3.239 -1.789) 9.127 18.894 ( 2.193 -8.158 2.617) 8.844 19.038 ( 3.911 1.185 -0.294) 4.097 21.323 ( 1.940 3.850 -0.532) 4.344 21.638 ( -2.288 1.051 -7.076) 7.511 22.672 ( -10.350 -13.220 6.397) 17.967 22.867 ( 1.449 -12.828 11.330) 17.176 24.539 ( 3.227 1.230 -0.188) 3.459 24.776 ( 3.054 2.826 -6.325) 7.571 25.385 ( 0.840 -2.555 4.178) 4.968 25.615 ( 0.583 -0.545 -3.440) 3.531 26.626 ( 0.234 2.466 4.956) 5.540 26.765 ( -0.308 2.589 -1.468) 2.992 27.946 ( -2.960 0.836 5.049) 5.913 28.097 ( -0.912 7.017 2.117) 7.386 28.667 ( 2.314 1.285 5.048) 5.700 29.409 ( -1.640 -7.244 -15.335) 17.039 ======================= Grid point 142 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 7.502 20.224 12.785) 25.074 2.239 ( 14.409 23.840 15.593) 31.924 2.787 ( -0.151 5.780 -9.919) 11.481 3.197 ( 4.387 4.887 8.471) 10.719 3.239 ( -0.972 8.551 -16.231) 18.371 3.647 ( -2.703 -1.988 5.013) 6.033 3.775 ( -4.921 14.768 -7.548) 17.300 4.319 ( 2.956 23.197 -3.251) 23.609 4.673 ( -5.567 5.486 -2.627) 8.245 4.762 ( -5.859 0.534 6.047) 8.437 5.078 ( -18.338 -13.043 0.637) 22.512 5.344 ( 6.097 37.391 4.362) 38.135 5.752 ( -4.916 2.753 4.910) 7.473 6.049 ( -3.854 -6.285 -10.938) 13.191 6.429 ( 12.852 -4.046 7.699) 15.518 6.452 ( 9.957 -1.320 -4.668) 11.076 6.694 ( -7.185 -6.220 11.014) 14.547 6.953 ( -15.294 -6.060 9.193) 18.845 7.401 ( 10.456 8.968 1.108) 13.820 7.518 ( -0.680 5.823 -13.515) 14.731 7.946 ( 4.377 -19.239 -3.662) 20.067 8.107 ( 0.488 -9.408 -0.122) 9.422 8.258 ( 4.278 -3.711 3.571) 6.696 8.780 ( 1.201 -21.441 9.668) 23.550 9.074 ( 5.658 -3.143 -3.311) 7.270 9.312 ( -2.128 -4.380 -5.764) 7.545 9.777 ( 5.389 -2.422 1.604) 6.122 9.903 ( -16.471 16.025 11.971) 25.911 10.275 ( 4.945 -7.812 -2.689) 9.629 10.633 ( 3.010 5.807 2.863) 7.140 10.889 ( -5.871 -9.223 -4.872) 11.970 11.316 ( 16.775 11.448 -1.273) 20.349 11.845 ( -4.598 11.027 -3.227) 12.375 12.003 ( -0.432 11.209 -10.413) 15.306 13.187 ( 6.320 -4.551 0.827) 7.832 13.281 ( -7.969 -19.269 -7.504) 22.161 13.630 ( 0.107 -18.462 3.538) 18.798 13.917 ( -4.150 10.395 11.142) 15.793 14.506 ( 7.411 -13.917 -4.943) 16.523 14.787 ( 0.606 -9.998 0.387) 10.024 14.997 ( 7.370 11.834 16.789) 21.822 15.293 ( -2.497 -0.400 -7.176) 7.608 16.215 ( -2.277 7.402 4.839) 9.131 16.336 ( -7.077 5.332 -0.256) 8.864 16.668 ( -8.011 8.966 -2.449) 12.270 16.864 ( -2.853 3.365 1.384) 4.623 17.224 ( -4.684 7.331 -0.491) 8.713 18.000 ( -17.359 -8.820 2.187) 19.594 18.377 ( 17.708 17.699 -16.317) 29.885 18.594 ( 3.099 -1.087 -4.074) 5.233 18.982 ( 1.977 -4.200 0.152) 4.644 19.181 ( 7.385 -5.118 1.039) 9.045 21.312 ( 1.282 1.550 2.466) 3.183 21.561 ( -1.413 1.842 -2.679) 3.545 22.617 ( -22.806 -16.174 -4.600) 28.335 23.156 ( 7.322 -5.249 16.877) 19.131 24.612 ( 8.123 -0.796 -0.009) 8.162 24.781 ( 4.032 -0.250 -4.443) 6.005 25.362 ( -5.713 0.658 -0.194) 5.754 25.643 ( 2.482 0.066 -1.771) 3.050 26.649 ( -1.429 -0.535 0.792) 1.719 26.749 ( 2.532 -2.683 2.656) 4.546 27.936 ( -1.221 -0.497 4.260) 4.459 28.017 ( -1.177 5.163 3.037) 6.104 28.697 ( 1.453 2.820 4.012) 5.115 29.349 ( -3.188 -1.214 -14.063) 14.470 ======================= Grid point 147 (66/141) ======================= q-point: ( 0.40 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -10.315 -0.000 1.895) 10.487 2.828 ( 4.121 0.000 -3.300) 5.280 3.045 ( 9.051 0.000 3.387) 9.664 3.434 ( -2.601 -0.000 10.989) 11.293 3.684 ( 2.843 0.000 -0.833) 2.963 3.858 ( 1.715 0.000 5.176) 5.453 4.135 ( 5.495 0.000 -0.598) 5.527 4.504 ( 28.458 0.000 -0.255) 28.459 4.607 ( 7.378 0.000 20.383) 21.677 5.164 ( -1.471 -0.000 -5.487) 5.681 5.256 ( 8.723 0.000 -25.085) 26.558 5.411 ( -6.390 -0.000 -3.387) 7.232 5.502 ( -13.249 -0.000 -4.041) 13.852 6.001 ( 4.899 0.000 9.632) 10.806 6.015 ( 2.129 0.000 3.766) 4.325 6.729 ( 8.215 0.000 -2.443) 8.570 6.808 ( 11.675 0.000 -1.148) 11.731 6.904 ( -13.019 -0.000 10.065) 16.456 7.034 ( -0.313 -0.000 7.700) 7.706 7.261 ( 6.203 0.000 -8.785) 10.754 8.146 ( 3.582 0.000 0.146) 3.585 8.153 ( 0.200 0.000 -10.089) 10.091 8.722 ( 3.238 0.000 7.330) 8.013 8.867 ( -0.519 -0.000 -3.113) 3.155 9.128 ( -5.390 -0.000 11.034) 12.280 9.380 ( -13.804 -0.000 -10.236) 17.185 9.564 ( -10.389 -0.000 3.551) 10.979 10.141 ( 0.463 0.000 -9.244) 9.256 10.389 ( -1.451 -0.000 8.322) 8.447 10.588 ( 8.177 0.000 -11.240) 13.899 11.222 ( -10.855 -0.000 -1.589) 10.970 11.628 ( 13.810 0.000 -3.915) 14.354 11.639 ( 14.349 0.000 3.993) 14.894 12.204 ( 17.133 0.000 2.916) 17.380 12.684 ( -14.360 -0.000 1.651) 14.455 12.866 ( -25.752 -0.000 -1.623) 25.803 13.007 ( -19.972 -0.000 2.281) 20.102 13.750 ( -2.037 -0.000 11.565) 11.743 14.111 ( -10.870 -0.000 -3.707) 11.485 14.506 ( 7.417 0.000 -0.549) 7.437 15.149 ( 4.567 0.000 3.024) 5.477 15.282 ( 11.387 0.000 -8.163) 14.011 16.229 ( 9.059 0.000 1.443) 9.174 16.888 ( 5.649 0.000 -4.370) 7.142 17.003 ( 0.011 0.000 -8.317) 8.317 17.291 ( 1.717 0.000 -7.701) 7.890 17.422 ( -19.440 -0.000 8.120) 21.068 17.858 ( 8.676 0.000 5.285) 10.159 17.952 ( 7.035 0.000 -6.510) 9.585 18.045 ( 2.215 0.000 14.049) 14.222 19.064 ( -4.304 -0.000 -4.272) 6.064 19.175 ( -0.635 -0.000 1.792) 1.902 21.538 ( 2.817 0.000 -9.155) 9.578 21.859 ( -6.302 -0.000 -4.079) 7.507 21.979 ( 3.561 0.000 -3.027) 4.674 22.435 ( -5.782 -0.000 22.652) 23.378 24.734 ( -3.802 -0.000 2.373) 4.481 24.946 ( -2.167 -0.000 -1.424) 2.593 25.101 ( -0.707 -0.000 -7.840) 7.872 25.663 ( 2.630 0.000 -0.119) 2.632 26.653 ( 3.267 0.000 2.481) 4.103 27.017 ( -3.543 -0.000 -2.170) 4.155 28.033 ( -2.776 -0.000 7.323) 7.832 28.526 ( 6.424 0.000 -5.850) 8.688 28.531 ( 3.308 0.000 1.815) 3.773 29.044 ( -2.304 -0.000 -2.424) 3.344 ======================= Grid point 148 (67/141) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -4.750 -3.799 1.841) 6.355 2.899 ( 6.735 2.621 2.025) 7.505 3.204 ( 3.585 -6.589 1.618) 7.674 3.466 ( -1.952 -1.376 10.198) 10.474 3.635 ( -7.324 3.710 0.476) 8.224 3.846 ( -1.165 7.112 4.732) 8.622 4.201 ( 7.042 -1.084 -6.393) 9.573 4.719 ( -0.067 5.514 3.567) 6.568 4.830 ( 10.452 10.107 -3.230) 14.894 5.016 ( 15.842 -1.659 -4.057) 16.437 5.232 ( 0.917 0.662 -7.283) 7.370 5.389 ( -7.521 -6.927 2.587) 10.547 5.511 ( -3.483 -14.385 -5.367) 15.744 6.064 ( -2.105 -3.296 7.262) 8.248 6.105 ( 10.999 6.177 1.884) 12.754 6.630 ( -5.346 10.259 8.630) 14.432 6.729 ( -4.555 6.206 0.688) 7.729 7.026 ( -0.741 -2.399 1.409) 2.879 7.113 ( 11.216 -8.074 6.154) 15.128 7.343 ( -1.547 -7.895 -10.244) 13.025 8.090 ( 1.993 3.716 -9.810) 10.678 8.285 ( 2.421 -10.302 2.108) 10.790 8.797 ( -0.018 7.765 0.318) 7.772 8.828 ( 4.531 1.766 -1.520) 5.095 9.012 ( -1.183 12.448 9.207) 15.528 9.103 ( -12.142 5.756 -3.679) 13.932 9.465 ( -7.805 0.520 3.279) 8.482 10.031 ( 0.274 8.378 -9.257) 12.488 10.399 ( -5.486 -1.449 2.613) 6.247 10.661 ( -0.227 -0.082 -8.982) 8.985 11.098 ( 2.109 -4.449 -5.246) 7.194 11.594 ( 16.829 17.488 9.756) 26.158 12.009 ( 11.894 -7.525 0.122) 14.075 12.352 ( -9.908 12.857 -2.364) 16.403 12.539 ( 4.058 -19.702 -0.485) 20.122 12.719 ( -10.711 -9.268 -1.514) 14.244 12.805 ( -14.988 -7.333 4.614) 17.312 13.784 ( -12.468 -2.054 10.381) 16.354 13.949 ( 0.764 0.634 -3.716) 3.846 14.596 ( 4.535 -1.123 -0.908) 4.759 15.140 ( 3.034 9.082 2.778) 9.970 15.495 ( 9.161 -9.039 2.371) 13.086 16.317 ( 8.281 5.597 -5.074) 11.209 16.669 ( -6.331 15.557 -8.382) 18.772 17.135 ( -4.379 2.421 -1.502) 5.224 17.175 ( 2.835 -15.147 -2.597) 15.628 17.443 ( -5.237 -17.467 -5.386) 19.014 17.863 ( 2.589 8.664 1.660) 9.193 18.023 ( 6.480 6.110 4.387) 9.928 18.221 ( 1.875 -7.883 14.576) 16.677 18.982 ( -1.860 3.431 -3.653) 5.346 19.161 ( -1.733 -0.747 -1.996) 2.747 21.523 ( 3.251 2.496 -7.523) 8.567 21.736 ( -3.337 -0.044 -9.770) 10.324 22.089 ( 6.464 -2.701 6.985) 9.893 22.459 ( -10.656 -5.177 15.628) 19.611 24.678 ( -3.172 2.217 1.058) 4.012 24.924 ( -1.532 -2.505 -5.143) 5.923 25.086 ( 3.495 1.322 -0.019) 3.737 25.677 ( 0.157 -0.277 -2.857) 2.875 26.695 ( 1.431 0.763 2.932) 3.351 26.961 ( -1.142 1.863 -1.571) 2.691 28.027 ( -3.128 0.522 7.180) 7.849 28.505 ( 2.576 7.160 -1.077) 7.685 28.607 ( 4.114 -0.752 -1.436) 4.421 29.043 ( -1.438 -6.542 -4.508) 8.074 ======================= Grid point 149 (68/141) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.857 -6.759 3.680) 9.101 2.943 ( 5.840 6.777 2.914) 9.409 3.276 ( -3.281 -2.736 -1.087) 4.408 3.395 ( -9.211 8.841 -7.253) 14.684 3.511 ( -3.817 3.911 9.396) 10.869 3.699 ( -4.164 7.761 5.415) 10.339 4.282 ( 6.068 -2.459 -9.604) 11.623 4.486 ( -5.959 5.556 -7.106) 10.810 4.942 ( 8.413 4.485 7.406) 12.072 5.204 ( -8.311 -4.766 1.015) 9.634 5.291 ( 5.134 -8.994 -4.280) 11.206 5.406 ( 7.138 -5.529 -1.635) 9.175 5.593 ( -5.374 -4.937 5.716) 9.269 5.984 ( -7.838 6.017 -4.597) 10.898 6.209 ( 11.313 3.809 1.772) 12.068 6.511 ( -7.559 3.482 3.141) 8.896 6.675 ( 1.037 -0.220 12.463) 12.508 7.069 ( 0.008 -4.314 0.091) 4.315 7.292 ( -5.762 -14.968 -7.682) 17.783 7.464 ( 12.014 -3.466 6.560) 14.121 8.001 ( 4.520 8.326 -10.876) 14.423 8.399 ( -3.560 7.520 6.756) 10.717 8.477 ( -15.958 13.225 -4.221) 21.152 8.705 ( 7.279 20.829 -3.356) 22.318 8.934 ( -4.398 -2.003 3.289) 5.845 9.066 ( 7.473 3.147 3.991) 9.037 9.416 ( -0.993 -2.866 2.386) 3.859 9.883 ( -1.451 4.509 -8.402) 9.645 10.287 ( -8.943 -2.689 -3.403) 9.939 10.611 ( 4.919 6.487 1.654) 8.307 11.237 ( 9.315 -6.018 -10.948) 15.584 11.644 ( -2.576 13.142 13.052) 18.700 12.075 ( -2.066 -0.521 -5.042) 5.474 12.324 ( 16.186 -1.471 2.671) 16.471 12.609 ( -3.115 -4.356 0.388) 5.369 12.709 ( -7.531 -9.092 2.499) 12.068 13.019 ( 3.420 -24.668 -4.279) 25.269 13.567 ( -8.703 5.192 -7.179) 12.419 14.089 ( 0.705 -8.596 12.686) 15.340 14.621 ( -2.218 -0.616 -1.511) 2.753 15.090 ( 5.334 10.105 7.270) 13.543 15.720 ( 2.712 -6.321 5.772) 8.979 16.168 ( -2.015 15.989 -3.265) 16.443 16.482 ( 2.535 -0.070 -14.818) 15.033 17.057 ( -4.843 0.855 5.704) 7.531 17.342 ( -6.605 -13.508 -6.460) 16.365 17.628 ( 3.051 -14.704 -4.143) 15.578 17.781 ( -0.098 4.321 -8.612) 9.635 17.999 ( 0.552 6.464 13.224) 14.730 18.450 ( 5.792 -6.527 14.758) 17.145 18.879 ( 1.149 7.192 -6.792) 9.959 19.127 ( -2.243 -0.454 -3.566) 4.237 21.486 ( 3.054 4.416 -5.788) 7.895 21.670 ( -1.140 -1.609 -9.812) 10.008 22.301 ( 9.747 -5.565 10.965) 15.691 22.430 ( -15.063 -7.909 9.795) 19.631 24.615 ( -1.356 2.692 0.309) 3.030 24.894 ( -0.070 0.297 -7.303) 7.310 25.171 ( 5.800 -1.426 5.656) 8.226 25.645 ( -2.292 -0.589 -5.325) 5.827 26.704 ( -0.269 1.394 3.032) 3.348 26.919 ( 0.705 3.463 -1.073) 3.694 28.007 ( -3.332 1.023 6.536) 7.408 28.419 ( 0.700 8.824 -0.055) 8.852 28.651 ( 2.431 0.425 0.898) 2.627 29.108 ( -0.311 -9.632 -7.747) 12.365 ======================= Grid point 150 (69/141) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 7.909 6.566 2.757) 10.643 2.925 ( 6.355 6.561 2.786) 9.550 3.062 ( -10.576 10.730 -7.404) 16.788 3.189 ( 0.187 7.384 -7.431) 10.477 3.384 ( -2.127 6.842 7.304) 10.232 3.692 ( -5.060 -3.040 8.284) 10.172 4.257 ( -4.517 2.121 -8.946) 10.244 4.404 ( -0.126 -5.602 -11.299) 12.612 4.922 ( -16.048 -3.727 6.885) 17.856 5.114 ( -2.628 7.318 5.392) 9.462 5.394 ( -15.032 13.827 3.751) 20.766 5.429 ( 2.145 -8.551 0.189) 8.818 5.723 ( 13.406 -15.116 -0.351) 20.208 5.873 ( -4.006 -7.130 -0.685) 8.207 6.286 ( -4.366 3.751 2.350) 6.217 6.380 ( 6.233 3.224 -8.608) 11.106 6.739 ( -3.618 -0.281 10.928) 11.515 7.199 ( 1.519 -11.407 5.292) 12.666 7.330 ( -8.432 -0.617 -0.914) 8.504 7.659 ( 7.378 1.149 -2.323) 7.820 7.844 ( 0.321 24.695 -3.251) 24.910 8.004 ( 1.701 0.005 1.856) 2.518 8.329 ( -3.262 11.437 6.330) 13.473 8.555 ( 9.193 19.621 -3.771) 21.993 8.991 ( -2.987 -11.722 -1.072) 12.144 9.113 ( 6.226 4.707 -0.446) 7.818 9.522 ( 4.927 -5.325 -0.718) 7.290 9.825 ( -0.515 -4.459 -4.342) 6.245 10.246 ( -4.370 -5.140 1.149) 6.844 10.647 ( 6.390 2.413 2.433) 7.251 11.304 ( -9.781 16.196 6.656) 20.057 11.397 ( 6.469 2.338 -9.674) 11.870 12.035 ( -7.796 -6.075 -1.673) 10.024 12.423 ( -0.939 5.950 -1.914) 6.321 12.743 ( 4.553 -7.651 4.235) 9.859 12.873 ( 8.032 -9.582 0.909) 12.536 13.331 ( 7.443 -10.053 -7.227) 14.446 13.467 ( 6.458 -10.881 -7.901) 14.917 14.210 ( -6.434 -3.112 11.339) 13.403 14.589 ( -3.345 -3.743 2.787) 5.742 15.102 ( 3.471 5.627 8.708) 10.934 15.675 ( -2.584 10.984 -2.538) 11.566 16.093 ( -0.158 -3.620 6.926) 7.816 16.453 ( 2.756 0.127 -13.758) 14.032 17.015 ( -5.831 0.550 8.011) 9.924 17.274 ( -10.355 1.611 -3.937) 11.195 17.538 ( -8.671 3.923 -10.536) 14.198 17.836 ( -3.591 -5.151 6.175) 8.807 18.132 ( 7.451 -11.522 1.746) 13.832 18.683 ( 7.260 -3.069 10.335) 12.998 18.785 ( 5.896 5.687 -9.403) 12.471 19.079 ( -0.696 1.094 -3.473) 3.708 21.438 ( 2.222 4.627 -4.586) 6.883 21.624 ( -1.445 -1.624 -9.804) 10.042 22.356 ( -17.225 -9.714 5.770) 20.600 22.617 ( 13.028 -7.696 15.245) 21.480 24.583 ( 1.255 1.952 -0.450) 2.364 24.849 ( 1.554 2.360 -6.356) 6.956 25.312 ( 4.846 -2.499 6.232) 8.280 25.585 ( -2.990 -1.460 -6.335) 7.155 26.687 ( -1.424 1.893 3.331) 4.087 26.872 ( 0.909 4.781 -1.340) 5.048 27.977 ( -3.250 1.331 5.584) 6.597 28.304 ( -0.849 8.849 0.778) 8.924 28.685 ( 1.530 0.118 3.774) 4.074 29.183 ( -0.099 -9.528 -10.954) 14.518 ======================= Grid point 151 (70/141) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 4.406 23.709 1.364) 24.153 2.828 ( 5.630 15.193 1.014) 16.234 2.942 ( 2.457 8.102 -0.550) 8.484 3.170 ( 1.218 -4.360 -3.375) 5.647 3.394 ( 7.645 2.850 1.171) 8.243 3.611 ( -13.207 0.762 5.227) 14.225 4.056 ( -11.774 5.395 -6.153) 14.338 4.416 ( -3.549 -10.869 -17.161) 20.621 4.757 ( -18.644 -2.949 9.974) 21.349 4.906 ( -7.590 10.796 -4.149) 13.834 5.074 ( -6.614 15.223 9.483) 19.116 5.560 ( -3.468 -10.981 0.514) 11.527 5.913 ( -9.213 -3.759 5.383) 11.313 6.056 ( -4.981 3.738 -8.152) 10.259 6.159 ( 11.039 -18.988 5.504) 22.643 6.465 ( 11.869 4.128 -6.440) 14.121 6.734 ( -9.045 -4.687 10.979) 14.977 6.975 ( -1.274 29.707 9.764) 31.297 7.439 ( -0.810 -15.145 3.028) 15.466 7.576 ( -0.944 9.821 -8.226) 12.845 7.792 ( 8.659 -4.757 -9.505) 13.709 8.100 ( 1.505 5.050 2.187) 5.706 8.343 ( 8.266 -8.162 14.138) 18.298 8.416 ( 10.868 20.826 -0.921) 23.509 9.053 ( -3.528 -5.436 -3.271) 7.260 9.165 ( 7.679 -0.603 -5.461) 9.443 9.632 ( 1.803 -7.264 -2.794) 7.989 9.940 ( 1.245 -9.767 2.461) 10.149 10.253 ( -5.309 -0.185 6.913) 8.718 10.717 ( 2.360 -1.040 0.221) 2.589 10.890 ( -12.509 17.277 0.457) 21.335 11.481 ( 10.878 1.754 -5.357) 12.251 12.023 ( -3.174 -6.255 -5.187) 8.724 12.262 ( -0.699 11.729 -6.489) 13.423 12.897 ( 0.257 -8.373 1.250) 8.470 13.032 ( 0.951 -7.294 2.072) 7.642 13.375 ( 3.771 0.138 -3.633) 5.238 13.978 ( 24.084 -21.635 -4.397) 32.672 14.142 ( -4.301 3.114 5.856) 7.905 14.620 ( -8.569 -5.072 5.884) 11.566 15.109 ( -4.420 -3.797 4.144) 7.150 15.516 ( 7.507 16.658 1.538) 18.336 16.172 ( -5.257 -5.922 8.918) 11.926 16.411 ( 1.297 1.493 -8.901) 9.118 16.941 ( -9.054 1.144 4.468) 10.161 16.996 ( -10.852 12.190 -1.850) 16.425 17.355 ( -5.990 2.514 -5.425) 8.463 17.790 ( -13.904 -4.247 4.682) 15.273 18.412 ( 8.128 -12.727 -3.610) 15.526 18.739 ( 11.957 9.212 -6.520) 16.442 18.871 ( 2.551 -2.454 1.595) 3.882 19.094 ( 5.647 -2.545 -1.369) 6.343 21.381 ( 0.343 3.641 -2.509) 4.435 21.570 ( -1.523 -1.140 -8.863) 9.065 22.269 ( -16.801 -10.090 3.277) 19.870 22.993 ( 12.737 -7.414 18.279) 23.480 24.602 ( 4.631 0.130 -1.677) 4.927 24.816 ( 2.692 2.509 -4.902) 6.130 25.367 ( -3.452 -0.099 0.237) 3.462 25.585 ( 2.248 -3.698 -2.091) 4.806 26.660 ( -1.427 1.591 4.044) 4.574 26.804 ( -0.275 4.795 -2.198) 5.282 27.946 ( -2.480 1.054 4.602) 5.333 28.181 ( -2.132 7.645 1.578) 8.092 28.731 ( 1.619 -0.060 4.608) 4.885 29.226 ( -0.650 -7.158 -11.890) 13.893 ======================= Grid point 152 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 8.524 17.016 3.806) 19.409 2.804 ( 8.599 12.722 7.856) 17.248 2.876 ( 12.845 14.896 4.404) 20.156 3.154 ( -8.519 0.802 -10.746) 13.737 3.324 ( -2.026 3.909 2.813) 5.224 3.614 ( 4.373 -6.060 0.837) 7.520 3.746 ( -13.061 8.661 -3.009) 15.958 4.395 ( -9.691 -12.600 -16.636) 23.009 4.570 ( -10.395 6.251 5.254) 13.218 4.760 ( -0.201 0.109 -4.602) 4.608 4.851 ( -6.821 11.719 8.331) 15.914 5.498 ( -16.027 2.665 5.277) 17.083 5.811 ( -4.180 -7.049 -1.375) 8.310 5.986 ( 3.223 7.954 -8.670) 12.199 6.501 ( 6.796 6.972 8.810) 13.131 6.611 ( 13.558 -9.041 -1.641) 16.379 6.689 ( -3.656 -4.634 1.588) 6.112 6.798 ( -4.912 8.244 20.966) 23.058 7.322 ( -6.355 4.831 -10.508) 13.196 7.678 ( -6.050 -18.658 8.919) 21.547 7.892 ( 10.579 4.190 -5.684) 12.719 8.167 ( 15.810 2.369 -5.978) 17.068 8.334 ( 8.218 10.957 2.155) 13.864 8.659 ( 4.974 -11.809 10.315) 16.450 9.028 ( -5.647 -4.803 -5.275) 9.099 9.242 ( 6.775 -0.414 -7.353) 10.007 9.768 ( 1.280 -11.760 -0.154) 11.830 9.916 ( -15.449 12.473 9.668) 22.084 10.219 ( 0.582 -5.061 3.091) 5.959 10.630 ( -6.723 0.283 -3.030) 7.379 10.741 ( -0.723 -1.151 -0.767) 1.561 11.589 ( 9.329 1.059 -4.699) 10.499 12.015 ( 4.633 5.960 -5.500) 9.340 12.073 ( 4.685 14.156 -9.985) 17.946 12.961 ( -4.593 -6.885 -3.557) 9.009 13.188 ( 3.808 -12.880 2.188) 13.609 13.461 ( 2.061 -6.800 4.277) 8.293 14.055 ( -0.510 5.690 7.037) 9.064 14.332 ( -16.779 -1.925 0.138) 16.890 14.693 ( 17.264 -16.369 -6.892) 24.769 15.170 ( -0.764 -7.278 5.639) 9.238 15.452 ( 10.930 17.417 5.779) 21.359 16.180 ( -10.120 -3.831 11.090) 15.494 16.345 ( 1.520 5.852 -9.086) 10.914 16.691 ( -7.728 13.002 -1.194) 15.172 16.799 ( -10.223 -1.468 -0.255) 10.331 17.253 ( -0.744 3.798 0.978) 3.992 17.667 ( -15.478 -7.267 2.143) 17.233 18.590 ( 2.361 -2.601 -1.692) 3.899 18.731 ( 13.400 11.954 -9.135) 20.147 18.934 ( 1.645 -5.136 -0.807) 5.453 19.236 ( 6.974 -3.504 -1.581) 7.963 21.355 ( 0.872 0.612 3.095) 3.273 21.528 ( -0.462 -1.642 -7.671) 7.858 22.178 ( -15.157 -7.890 1.959) 17.200 23.289 ( 5.360 -1.885 16.563) 17.510 24.707 ( 8.915 -3.809 -1.940) 9.887 24.812 ( 3.581 1.550 -2.996) 4.920 25.267 ( -7.957 0.638 -2.646) 8.410 25.654 ( 2.214 -1.588 -1.604) 3.162 26.636 ( -2.057 2.329 -0.354) 3.127 26.756 ( 0.341 -0.833 1.523) 1.769 27.939 ( -0.726 -0.296 3.605) 3.689 28.075 ( -2.428 5.303 2.849) 6.491 28.758 ( 0.730 1.597 0.344) 1.789 29.234 ( -0.192 -3.512 -7.425) 8.216 ======================= Grid point 158 (72/141) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 3.009 -0.000 6.891) 7.520 3.057 ( 8.096 -0.000 8.572) 11.791 3.171 ( -3.259 -0.000 0.710) 3.336 3.468 ( -2.102 -0.000 -3.232) 3.855 3.534 ( -9.529 -0.000 8.001) 12.443 3.871 ( -5.076 -0.000 3.417) 6.119 4.240 ( 3.647 -0.000 -6.209) 7.201 4.649 ( -14.398 -0.000 0.265) 14.400 4.967 ( 4.512 -0.000 -10.722) 11.633 5.071 ( -5.340 -0.000 -15.238) 16.146 5.210 ( 1.899 -0.000 2.381) 3.046 5.351 ( 8.032 -0.000 -8.021) 11.351 5.488 ( 12.309 -0.000 17.657) 21.524 6.057 ( -4.385 -0.000 9.623) 10.575 6.327 ( 9.514 -0.000 3.355) 10.088 6.601 ( -13.595 -0.000 14.879) 20.154 6.641 ( -6.186 0.000 -6.540) 9.002 6.998 ( 0.814 -0.000 -2.884) 2.997 7.245 ( 3.551 0.000 -13.296) 13.762 7.269 ( 5.969 -0.000 11.874) 13.290 8.075 ( 2.929 -0.000 -13.149) 13.471 8.257 ( -0.675 -0.000 4.352) 4.404 8.770 ( -4.267 -0.000 -3.790) 5.707 8.797 ( -7.591 -0.000 -8.557) 11.439 9.137 ( -0.814 -0.000 9.863) 9.897 9.156 ( 10.865 -0.000 7.184) 13.025 9.437 ( -2.665 -0.000 4.221) 4.992 10.021 ( -2.758 -0.000 -13.664) 13.939 10.274 ( -7.896 -0.000 -3.939) 8.824 10.662 ( 6.084 -0.000 -14.646) 15.859 11.111 ( 5.266 -0.000 10.309) 11.576 11.910 ( -0.457 -0.000 -7.236) 7.251 12.149 ( 8.050 0.000 20.245) 21.787 12.242 ( -0.174 -0.000 -2.345) 2.351 12.494 ( 2.291 -0.000 -3.222) 3.954 12.552 ( 1.445 0.000 0.246) 1.466 12.640 ( -6.128 0.000 2.525) 6.627 13.618 ( -12.167 -0.000 -0.243) 12.170 13.999 ( 4.683 -0.000 4.313) 6.367 14.602 ( -0.396 -0.000 -2.808) 2.836 15.266 ( 0.250 -0.000 6.625) 6.630 15.576 ( 6.656 -0.000 9.544) 11.636 16.416 ( 11.580 -0.000 -20.507) 23.551 16.717 ( -6.703 -0.000 -17.603) 18.836 16.843 ( -17.541 -0.000 6.719) 18.784 17.126 ( 2.088 -0.000 5.280) 5.678 17.369 ( 7.560 -0.000 -5.162) 9.155 17.857 ( -3.856 -0.000 -7.901) 8.791 18.241 ( -0.813 0.000 18.026) 18.044 18.255 ( 6.137 -0.000 12.551) 13.971 19.010 ( 3.254 0.000 -1.440) 3.558 19.083 ( -4.335 -0.000 -6.662) 7.949 21.554 ( 3.824 -0.000 -7.158) 8.116 21.643 ( -2.350 -0.000 -9.085) 9.384 22.227 ( 9.233 -0.000 10.896) 14.282 22.324 ( -13.372 -0.000 9.462) 16.381 24.659 ( -2.205 -0.000 -0.125) 2.209 24.881 ( 0.945 -0.000 -4.264) 4.368 25.163 ( 5.371 -0.000 3.309) 6.308 25.635 ( -2.537 -0.000 -5.798) 6.329 26.723 ( -0.401 -0.000 3.324) 3.348 26.965 ( 0.984 -0.000 -1.342) 1.664 28.022 ( -3.396 -0.000 6.889) 7.681 28.600 ( 0.079 0.000 2.844) 2.845 28.622 ( 3.805 -0.000 -4.315) 5.753 28.951 ( -1.124 -0.000 -5.526) 5.639 ======================= Grid point 160 (73/141) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 7.054 -4.701 8.384) 11.923 3.061 ( -9.501 0.434 0.155) 9.512 3.210 ( 5.088 2.972 10.448) 11.995 3.353 ( -0.201 2.086 -13.783) 13.941 3.533 ( -4.366 -0.751 14.121) 14.800 3.727 ( -8.926 7.883 1.202) 11.969 4.232 ( -3.349 -4.340 -7.238) 9.080 4.406 ( -11.155 6.628 0.314) 12.979 4.820 ( -21.601 -5.894 -3.426) 22.651 5.068 ( 6.584 -4.386 -10.184) 12.896 5.283 ( 0.833 -7.890 3.175) 8.546 5.417 ( 9.274 1.490 -12.474) 15.615 5.735 ( 9.410 6.753 17.511) 20.995 5.943 ( -10.170 7.473 2.282) 12.825 6.380 ( -1.930 1.108 6.016) 6.414 6.458 ( -4.000 2.125 -9.159) 10.218 6.688 ( 2.228 -7.696 17.453) 19.204 7.012 ( -6.025 4.738 -10.664) 13.132 7.121 ( 2.575 -1.649 5.212) 6.042 7.528 ( 5.543 -13.451 4.519) 15.234 8.054 ( 4.715 1.815 -13.519) 14.432 8.260 ( -5.677 -5.060 -3.016) 8.181 8.573 ( -6.804 13.241 -1.053) 14.924 8.683 ( -7.614 0.240 -1.000) 7.683 9.146 ( 2.609 6.659 8.696) 11.259 9.331 ( 15.136 7.585 2.127) 17.063 9.428 ( 2.575 0.605 2.326) 3.522 9.887 ( -1.612 5.509 -10.004) 11.534 10.115 ( -4.801 2.012 -4.846) 7.112 10.736 ( 7.664 -4.736 -9.362) 12.993 11.265 ( 8.816 -0.145 4.474) 9.888 11.709 ( -12.166 4.910 -4.807) 13.973 12.028 ( -12.021 13.677 12.371) 22.014 12.505 ( 6.614 -0.202 1.520) 6.789 12.622 ( 6.372 -5.010 -0.917) 8.157 12.660 ( 0.129 -23.240 1.940) 23.322 12.728 ( 18.691 -4.335 2.479) 19.347 13.493 ( -0.929 -0.120 -7.958) 8.013 14.102 ( 1.694 -2.094 9.721) 10.087 14.553 ( -4.228 0.205 -2.839) 5.097 15.234 ( -5.221 4.060 6.416) 9.214 15.717 ( 0.071 -4.781 10.048) 11.128 16.320 ( -2.023 18.263 -10.334) 21.082 16.485 ( 9.171 2.007 -18.394) 20.652 16.818 ( -14.348 -16.331 -1.509) 21.791 17.213 ( 3.919 0.758 4.891) 6.313 17.466 ( -3.852 -8.938 -3.626) 10.387 17.793 ( 4.799 0.032 -7.332) 8.763 18.169 ( -4.752 11.924 15.659) 20.248 18.486 ( 2.068 -10.274 14.231) 17.674 18.945 ( -1.407 3.982 -9.294) 10.209 19.083 ( 3.774 -0.542 -1.755) 4.197 21.538 ( 1.735 2.776 -7.284) 7.985 21.584 ( -0.808 -1.293 -9.024) 9.152 22.192 ( -14.144 -3.134 6.751) 15.983 22.467 ( 12.516 -3.402 14.386) 19.370 24.625 ( -0.701 1.026 -1.143) 1.688 24.886 ( 2.654 0.556 -3.977) 4.813 25.272 ( 5.998 -0.660 5.496) 8.162 25.553 ( -4.325 -0.752 -7.880) 9.020 26.722 ( -1.603 0.751 3.704) 4.105 26.967 ( 2.008 2.064 -1.857) 3.426 28.004 ( -3.480 0.579 6.107) 7.053 28.534 ( -0.292 8.156 0.502) 8.177 28.670 ( 0.426 -1.720 1.300) 2.198 28.957 ( 0.165 -6.693 -8.019) 10.446 ======================= Grid point 161 (74/141) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -1.144 -5.535 -1.216) 5.781 2.927 ( -6.625 -2.380 4.913) 8.584 3.233 ( 7.487 16.007 5.703) 18.569 3.273 ( 5.224 4.205 -12.053) 13.794 3.490 ( -2.627 5.926 7.292) 9.757 3.592 ( -8.458 -3.058 9.680) 13.213 4.158 ( -13.695 5.740 -0.616) 14.862 4.174 ( -11.317 -7.357 -9.262) 16.370 4.595 ( -19.238 -6.463 4.613) 20.812 5.168 ( 4.957 -2.517 -7.581) 9.401 5.370 ( -2.557 5.214 -4.097) 7.107 5.445 ( -4.035 -1.741 2.214) 4.921 5.596 ( -6.240 -1.116 -3.200) 7.101 5.892 ( 4.219 3.514 11.167) 12.444 6.277 ( -5.787 6.762 -1.443) 9.017 6.456 ( 3.373 -3.358 -6.642) 8.171 6.704 ( -8.994 5.210 4.418) 11.294 7.017 ( 1.663 -14.661 10.292) 17.990 7.285 ( 2.986 -7.285 6.876) 10.453 7.737 ( 4.684 -2.461 -5.335) 7.514 8.033 ( 3.768 0.276 -6.637) 7.637 8.107 ( -2.076 11.859 -6.153) 13.520 8.390 ( -3.042 3.185 3.610) 5.695 8.568 ( -8.043 0.732 4.190) 9.099 9.145 ( 5.953 9.184 4.853) 11.972 9.394 ( 17.510 14.672 -4.369) 23.259 9.489 ( -0.491 -2.346 -2.905) 3.766 9.792 ( 3.500 0.704 -1.783) 3.991 10.109 ( -0.126 -6.406 -1.759) 6.644 10.824 ( 9.804 5.357 -5.064) 12.266 11.381 ( -5.969 7.450 4.794) 10.682 11.474 ( 3.158 4.304 -3.172) 6.209 11.727 ( -19.659 -3.620 1.241) 20.028 12.501 ( 2.691 6.865 -2.359) 7.742 12.667 ( -9.668 -12.427 2.038) 15.876 12.941 ( 13.327 -1.095 5.161) 14.333 13.323 ( 27.242 -18.796 0.048) 33.097 13.529 ( 13.137 -1.888 -8.418) 15.717 14.154 ( -5.089 -0.365 8.892) 10.252 14.495 ( -4.099 -3.315 1.002) 5.366 15.075 ( -13.687 2.029 -0.432) 13.843 15.798 ( -0.943 -1.905 7.956) 8.235 16.111 ( 1.468 8.016 -1.510) 8.288 16.471 ( 5.595 4.303 -12.938) 14.738 16.824 ( -9.935 -10.711 -0.403) 14.615 17.200 ( -4.986 4.702 -0.330) 6.861 17.400 ( -6.481 -0.840 -5.051) 8.260 17.854 ( -2.877 6.874 7.813) 10.797 18.092 ( 2.087 -6.423 2.086) 7.069 18.725 ( 2.394 -10.951 11.846) 16.309 18.853 ( 1.454 1.514 -9.070) 9.309 19.121 ( 6.461 3.899 -3.116) 8.164 21.472 ( -0.631 2.513 -6.596) 7.087 21.534 ( -1.329 -0.636 -10.105) 10.212 22.094 ( -11.346 -4.027 6.978) 13.916 22.805 ( 14.315 -6.329 17.401) 23.405 24.610 ( 1.267 0.298 -2.267) 2.615 24.889 ( 3.611 2.693 -3.572) 5.749 25.366 ( 0.265 0.143 1.402) 1.434 25.487 ( -0.566 -3.433 -4.618) 5.782 26.704 ( -1.815 1.417 4.419) 4.982 26.936 ( 1.178 4.476 -3.258) 5.660 27.975 ( -3.255 0.947 5.106) 6.129 28.405 ( -2.010 9.405 0.698) 9.643 28.704 ( -0.288 -1.797 3.852) 4.261 29.019 ( 0.888 -8.312 -9.556) 12.696 ======================= Grid point 162 (75/141) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -5.697 2.150 -1.843) 6.362 2.968 ( -6.531 -6.238 1.710) 9.191 3.121 ( 4.532 14.629 3.411) 15.690 3.299 ( 16.012 7.662 -8.619) 19.733 3.447 ( -11.297 0.223 6.873) 13.225 3.560 ( 4.679 5.660 6.086) 9.538 3.890 ( -15.493 1.619 2.095) 15.717 4.032 ( -17.873 -10.008 -6.373) 21.453 4.508 ( -12.164 -7.416 6.013) 15.464 4.995 ( -5.072 16.098 -6.486) 18.081 5.186 ( -10.222 13.042 3.497) 16.936 5.340 ( -2.035 -10.776 -13.052) 17.048 5.763 ( -4.600 -12.352 9.480) 16.236 5.988 ( -0.511 -1.961 -10.292) 10.489 6.073 ( -1.015 0.221 7.177) 7.252 6.528 ( 2.356 -6.293 -3.301) 7.486 6.670 ( -2.450 -3.556 9.695) 10.613 7.222 ( -0.748 -4.606 3.017) 5.557 7.375 ( 0.551 4.392 14.106) 14.784 7.677 ( 3.023 10.107 -10.165) 14.650 7.910 ( 9.395 9.171 -7.502) 15.121 8.164 ( 5.703 3.394 0.221) 6.641 8.391 ( -3.796 -11.277 6.535) 13.575 8.541 ( -2.542 -5.613 3.808) 7.244 9.102 ( 4.976 11.725 -0.089) 12.737 9.412 ( 16.000 13.956 -7.724) 22.593 9.466 ( -5.752 -6.900 -2.506) 9.326 9.914 ( 5.137 -4.281 2.485) 7.134 10.195 ( 1.435 -3.761 1.617) 4.338 10.815 ( 4.612 8.864 -1.648) 10.127 10.951 ( -16.531 21.482 1.963) 27.177 11.564 ( 5.028 -2.189 -3.437) 6.472 11.730 ( -4.688 -20.312 -6.128) 21.728 12.406 ( 1.794 8.172 -5.144) 9.821 12.738 ( -4.987 -12.089 3.994) 13.674 13.134 ( 13.429 4.767 4.501) 14.944 13.494 ( 8.262 7.662 -4.037) 11.969 14.059 ( 9.655 -9.795 3.143) 14.108 14.125 ( 10.424 -8.753 0.074) 13.612 14.485 ( -6.357 -1.611 2.379) 6.976 14.902 ( -9.426 -8.877 -3.302) 13.363 15.828 ( 1.029 4.703 9.022) 10.226 16.084 ( -0.747 -0.061 2.814) 2.912 16.420 ( 2.397 2.710 -7.474) 8.304 16.752 ( -14.621 -1.623 0.423) 14.717 16.984 ( -7.406 7.635 -3.525) 11.206 17.332 ( -0.354 2.511 -0.518) 2.588 17.640 ( -14.261 6.773 5.064) 16.580 18.329 ( 6.968 -13.553 -1.071) 15.277 18.852 ( 2.826 -2.351 -4.000) 5.432 18.935 ( 3.701 -3.227 7.695) 9.128 19.146 ( 8.281 1.864 -7.475) 11.311 21.399 ( -1.150 2.274 -2.627) 3.660 21.465 ( -2.769 -2.262 -10.689) 11.271 22.051 ( -6.539 -2.545 6.966) 9.887 23.176 ( 11.857 -6.128 19.105) 23.306 24.635 ( 3.486 -1.838 -4.100) 5.687 24.885 ( 4.425 3.736 -2.644) 6.367 25.282 ( -6.581 0.592 -5.308) 8.476 25.572 ( 3.184 -4.159 0.662) 5.279 26.687 ( -1.036 1.872 5.071) 5.504 26.848 ( -0.889 5.882 -4.679) 7.568 27.948 ( -2.413 0.681 4.262) 4.945 28.253 ( -3.521 8.585 1.422) 9.388 28.745 ( -0.272 -2.144 1.558) 2.664 29.093 ( 1.820 -7.112 -6.869) 10.054 ======================= Grid point 163 (76/141) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -0.931 6.375 4.229) 7.707 2.908 ( -12.734 -8.279 -4.885) 15.955 3.021 ( -2.230 5.364 1.990) 6.141 3.236 ( -8.242 6.766 -2.186) 10.885 3.442 ( 23.729 13.276 5.868) 27.816 3.644 ( 4.559 -0.901 2.223) 5.151 3.707 ( -6.721 5.238 8.172) 11.806 3.941 ( -12.446 -16.437 -9.414) 22.665 4.455 ( -12.417 -3.423 7.003) 14.661 4.744 ( -5.341 5.334 -8.182) 11.132 4.943 ( -4.257 5.500 -0.593) 6.980 5.350 ( -3.873 -1.314 -4.599) 6.154 5.712 ( 0.858 4.934 -8.778) 10.106 5.953 ( -4.213 -2.822 3.750) 6.306 6.334 ( -3.771 -28.712 3.890) 29.218 6.644 ( 4.232 -4.330 -7.104) 9.334 6.732 ( -1.221 1.574 17.248) 17.363 7.137 ( -1.267 10.895 5.049) 12.075 7.393 ( 3.338 16.784 10.395) 20.022 7.491 ( -3.229 3.487 0.820) 4.823 7.983 ( 11.605 1.054 -9.894) 15.287 8.236 ( 6.203 -6.454 -0.167) 8.953 8.507 ( -8.915 -15.010 -1.608) 17.532 8.701 ( 8.543 -4.518 7.698) 12.355 8.973 ( 2.339 14.429 -3.881) 15.124 9.396 ( 10.379 9.355 -8.589) 16.402 9.520 ( -6.706 -14.217 2.499) 15.916 9.925 ( -7.632 9.592 4.525) 13.066 10.240 ( 3.264 1.576 2.485) 4.395 10.563 ( -7.985 5.640 -0.717) 9.803 10.745 ( -0.168 5.063 -2.342) 5.581 11.634 ( 3.352 -1.585 -4.106) 5.533 11.915 ( 3.213 -14.451 -11.742) 18.895 12.316 ( 3.247 6.328 -5.263) 8.848 12.877 ( -0.075 -11.062 3.342) 11.557 13.175 ( 7.745 14.122 0.770) 16.124 13.555 ( 9.971 -0.163 5.002) 11.156 14.005 ( -15.280 -1.778 0.465) 15.390 14.157 ( -8.592 6.138 2.025) 10.752 14.734 ( 17.088 -11.276 -6.988) 21.633 15.061 ( 6.072 -17.194 2.666) 18.428 15.790 ( 0.747 10.129 8.427) 13.197 16.057 ( -8.886 1.652 7.864) 11.981 16.405 ( 6.024 2.996 -8.487) 10.830 16.547 ( -15.399 -7.602 0.992) 17.202 16.771 ( -4.290 13.050 -1.769) 13.851 17.316 ( 2.532 2.739 2.315) 4.390 17.424 ( -12.314 -1.617 0.812) 12.446 18.556 ( 3.902 -8.482 0.258) 9.340 18.905 ( 1.768 -1.646 -2.960) 3.821 18.968 ( 5.571 7.378 0.199) 9.247 19.242 ( 4.839 -4.969 -6.924) 9.800 21.378 ( -0.727 -0.871 1.700) 2.044 21.426 ( -0.503 -4.483 -7.270) 8.556 22.035 ( -2.503 0.966 5.719) 6.317 23.428 ( 2.958 0.509 17.603) 17.857 24.716 ( 4.771 -5.486 -6.018) 9.438 24.905 ( 6.197 2.246 -0.575) 6.617 25.144 ( -7.555 1.011 -4.176) 8.691 25.649 ( 1.515 -2.369 -1.320) 3.107 26.647 ( -2.549 4.812 -1.426) 5.629 26.762 ( -0.165 0.986 0.742) 1.245 27.943 ( -0.842 -0.424 3.453) 3.580 28.118 ( -3.563 5.764 2.973) 7.400 28.744 ( -1.734 -0.763 -5.014) 5.360 29.189 ( 4.033 -4.481 -0.627) 6.061 ======================= Grid point 170 (77/141) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 2.361 0.000 9.078) 9.380 2.877 ( -13.346 -0.000 1.505) 13.431 3.316 ( 4.859 0.000 -15.224) 15.980 3.415 ( 5.233 0.000 17.187) 17.966 3.531 ( -4.979 -0.000 13.244) 14.149 3.650 ( -8.653 -0.000 -4.591) 9.795 4.021 ( -15.137 -0.000 -2.945) 15.420 4.353 ( -8.108 -0.000 4.788) 9.416 4.441 ( -22.832 -0.000 -0.452) 22.836 5.066 ( 7.419 0.000 -13.923) 15.776 5.198 ( -5.040 -0.000 0.112) 5.041 5.516 ( 10.779 0.000 -12.007) 16.135 5.862 ( -11.121 -0.000 0.330) 11.126 6.034 ( 7.625 0.000 16.143) 17.854 6.242 ( -12.913 -0.000 -9.359) 15.948 6.329 ( -7.017 -0.000 9.099) 11.490 6.822 ( 12.196 0.000 6.768) 13.948 7.079 ( 4.971 0.000 2.607) 5.613 7.150 ( -5.207 -0.000 -5.272) 7.410 7.355 ( -8.310 -0.000 11.530) 14.213 8.075 ( 6.217 0.000 -14.503) 15.779 8.135 ( -4.547 -0.000 -6.839) 8.212 8.478 ( -10.228 -0.000 -7.252) 12.538 8.690 ( 0.020 0.000 8.945) 8.945 9.259 ( 2.556 0.000 8.832) 9.194 9.476 ( 5.197 0.000 2.574) 5.800 9.568 ( 10.845 0.000 -5.306) 12.074 9.905 ( 6.655 0.000 -5.432) 8.590 10.140 ( 2.006 0.000 -8.133) 8.377 10.673 ( 3.511 0.000 -4.031) 5.346 11.455 ( 7.709 0.000 5.017) 9.198 11.523 ( -10.830 -0.000 -5.979) 12.371 12.159 ( -14.380 -0.000 16.924) 22.208 12.182 ( -18.628 -0.000 -2.949) 18.860 12.660 ( 10.817 0.000 1.058) 10.869 12.810 ( 23.271 0.000 -3.164) 23.485 13.038 ( 22.074 0.000 7.507) 23.316 13.499 ( 9.130 0.000 -7.994) 12.135 14.151 ( -0.028 -0.000 7.944) 7.944 14.487 ( -3.931 -0.000 -2.170) 4.490 15.124 ( -15.792 -0.000 0.834) 15.814 15.687 ( -3.865 -0.000 2.810) 4.779 16.394 ( -17.715 -0.000 8.601) 19.692 16.489 ( 6.114 0.000 -15.812) 16.953 16.608 ( 15.000 0.000 -14.142) 20.616 17.260 ( -11.634 -0.000 -4.647) 12.528 17.343 ( 3.910 0.000 8.587) 9.435 17.853 ( 9.108 0.000 -4.712) 10.255 18.306 ( -8.769 -0.000 12.500) 15.269 18.391 ( -4.667 -0.000 12.436) 13.283 18.872 ( -1.024 -0.000 -9.492) 9.548 19.182 ( 7.801 0.000 -0.241) 7.804 21.490 ( -2.828 -0.000 -7.961) 8.448 21.545 ( 0.466 0.000 -9.544) 9.556 22.043 ( -8.968 -0.000 7.185) 11.492 22.714 ( 14.378 0.000 16.927) 22.209 24.614 ( -0.117 -0.000 -2.426) 2.429 24.929 ( 4.696 0.000 -2.470) 5.306 25.373 ( 4.852 0.000 5.169) 7.090 25.433 ( -5.228 -0.000 -9.476) 10.822 26.723 ( -1.825 -0.000 4.741) 5.080 26.999 ( 2.241 0.000 -3.667) 4.297 27.988 ( -3.531 -0.000 5.261) 6.336 28.616 ( -1.675 -0.000 5.985) 6.215 28.630 ( -1.164 -0.000 -1.314) 1.755 28.872 ( 0.968 0.000 -9.476) 9.526 ======================= Grid point 171 (78/141) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -10.407 -1.334 3.100) 10.941 2.833 ( -7.375 -4.804 8.030) 11.914 3.317 ( -0.101 2.712 -6.804) 7.325 3.415 ( -6.502 -1.131 -4.268) 7.859 3.505 ( -4.051 1.654 7.468) 8.656 3.586 ( 4.522 3.513 7.533) 9.462 3.848 ( -14.142 -5.344 1.465) 15.189 4.077 ( -14.230 10.282 3.853) 17.974 4.325 ( -11.631 -6.403 5.151) 14.241 5.099 ( -3.158 -5.575 -13.990) 15.387 5.186 ( -4.892 -12.045 -1.202) 13.056 5.489 ( 1.261 15.149 -1.508) 15.276 5.624 ( -5.605 11.727 -5.334) 14.050 6.037 ( -0.686 1.855 4.860) 5.247 6.214 ( -0.329 -6.100 -5.799) 8.423 6.324 ( -7.122 -4.232 4.544) 9.449 6.737 ( -7.898 16.567 1.493) 18.414 7.082 ( 10.444 -2.368 11.325) 15.586 7.283 ( 4.244 -6.501 7.872) 11.056 7.516 ( -9.459 -27.400 3.242) 29.167 7.981 ( -3.612 3.794 -15.867) 16.710 8.052 ( -0.516 0.709 -12.918) 12.948 8.398 ( 4.120 0.632 2.588) 4.906 8.708 ( 0.608 6.049 10.238) 11.907 9.313 ( 2.611 4.710 7.110) 8.919 9.527 ( 4.177 8.137 0.141) 9.148 9.631 ( 7.245 1.857 -12.537) 14.598 9.960 ( 11.096 8.467 -2.798) 14.235 10.106 ( 5.996 -0.027 -2.412) 6.463 10.869 ( 6.889 -15.899 -3.165) 17.614 11.348 ( -6.703 3.312 -2.556) 7.902 11.531 ( 2.504 -0.314 0.128) 2.527 11.603 ( -22.409 24.476 4.057) 33.432 12.234 ( -19.662 -18.660 6.768) 27.939 12.762 ( 16.501 11.682 0.107) 20.218 13.174 ( 18.998 -2.078 0.361) 19.115 13.495 ( 23.873 -14.582 4.734) 28.371 13.659 ( 16.396 -5.014 -5.617) 18.042 14.163 ( -1.600 3.350 5.649) 6.759 14.425 ( -2.767 0.037 0.381) 2.793 14.847 ( -18.787 1.379 -5.058) 19.505 15.670 ( -5.761 -7.771 -1.725) 9.826 16.190 ( -9.508 3.717 7.875) 12.893 16.540 ( 6.195 1.090 -10.657) 12.374 16.695 ( 4.965 1.727 -4.926) 7.205 17.075 ( -12.529 -1.156 -4.182) 13.259 17.400 ( 1.597 2.714 4.773) 5.718 17.962 ( -2.445 9.566 4.246) 10.748 18.064 ( -1.692 1.241 0.903) 2.284 18.555 ( -5.164 -17.743 8.318) 20.265 18.862 ( 4.282 -0.428 -3.366) 5.463 19.261 ( 6.887 3.100 -1.990) 7.810 21.409 ( -3.235 -0.542 -7.560) 8.241 21.473 ( -2.493 1.331 -7.522) 8.035 22.015 ( -1.623 -0.580 7.095) 7.301 23.035 ( 14.464 -3.517 18.298) 23.588 24.605 ( 0.769 -0.547 -3.606) 3.727 24.974 ( 5.411 2.356 -2.125) 6.273 25.303 ( -5.095 1.001 -8.645) 10.084 25.469 ( 2.368 -3.093 2.941) 4.881 26.726 ( -0.877 0.907 6.162) 6.289 26.978 ( 1.003 3.114 -6.265) 7.068 27.962 ( -3.384 0.316 4.337) 5.510 28.501 ( -2.857 9.699 1.616) 10.239 28.675 ( -1.762 -3.135 4.276) 5.588 28.890 ( 1.631 -7.297 -8.920) 11.640 ======================= Grid point 172 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -10.594 -5.225 1.784) 11.947 2.781 ( -12.414 -3.165 7.122) 14.658 3.079 ( -19.617 1.571 0.715) 19.693 3.394 ( -12.268 -3.514 0.724) 12.782 3.534 ( 12.452 -2.046 -3.086) 12.991 3.653 ( 2.422 0.314 -2.009) 3.163 3.762 ( -7.898 -0.629 8.861) 11.886 3.839 ( 0.092 10.309 5.607) 11.736 4.278 ( -10.903 -7.057 4.012) 13.593 4.897 ( -20.250 -0.995 -9.458) 22.372 5.186 ( -11.530 11.563 2.242) 16.483 5.302 ( 10.280 7.456 -9.977) 16.149 5.523 ( -3.774 -14.902 2.730) 15.613 6.034 ( 0.896 9.854 -9.667) 13.833 6.163 ( 3.918 6.825 4.048) 8.850 6.342 ( -4.120 -14.047 -3.151) 14.974 6.655 ( -3.334 -4.388 15.238) 16.204 7.240 ( 2.840 1.549 1.776) 3.690 7.444 ( 2.726 -3.463 9.928) 10.862 7.733 ( -5.447 -19.062 -2.567) 19.990 7.837 ( -8.694 -6.310 -4.382) 11.602 7.998 ( 5.140 -1.689 -13.465) 14.512 8.531 ( 12.887 7.148 4.892) 15.527 8.671 ( 3.491 7.698 9.092) 12.414 9.226 ( -4.685 11.107 2.684) 12.350 9.432 ( 3.556 8.042 0.553) 8.811 9.616 ( 3.388 2.037 -13.486) 14.053 10.034 ( 10.118 4.428 -0.378) 11.051 10.236 ( 7.884 -2.969 0.489) 8.439 10.968 ( -17.368 20.093 -1.720) 26.615 11.057 ( 2.791 15.483 0.544) 15.742 11.341 ( -1.624 -22.769 -5.477) 23.475 11.577 ( 0.602 -3.575 -0.381) 3.645 12.199 ( -19.309 -14.527 4.271) 24.538 12.849 ( 17.317 11.093 -1.741) 20.639 13.420 ( 16.355 0.949 3.955) 16.853 13.718 ( 9.441 5.662 -2.623) 11.317 14.015 ( -5.668 4.582 6.076) 9.489 14.214 ( 10.755 -7.001 -3.127) 13.209 14.436 ( 7.177 -8.759 1.472) 11.419 14.648 ( -5.126 -8.067 -4.615) 10.614 15.705 ( -6.640 -12.039 -1.432) 13.823 16.106 ( -6.811 -0.505 9.344) 11.574 16.489 ( 1.149 7.194 -7.891) 10.739 16.620 ( -7.388 7.012 -2.044) 10.389 16.926 ( -5.038 -0.653 -1.752) 5.374 17.394 ( 0.413 2.977 2.841) 4.136 17.609 ( -11.824 15.986 1.664) 19.953 18.265 ( 7.295 -11.188 0.692) 13.374 18.746 ( -2.141 -14.146 2.876) 14.593 18.954 ( 4.327 -3.775 2.234) 6.161 19.271 ( 5.722 5.531 -5.934) 9.927 21.338 ( -3.315 -1.797 -8.179) 9.006 21.394 ( -2.042 1.237 -0.607) 2.463 22.068 ( 4.385 1.126 5.724) 7.299 23.367 ( 10.797 -3.874 18.626) 21.874 24.615 ( 1.551 -2.327 -5.543) 6.209 24.997 ( 5.568 4.072 -1.909) 7.157 25.172 ( -5.558 1.334 -6.766) 8.857 25.551 ( 0.728 -4.632 0.761) 4.751 26.739 ( 0.253 2.232 6.809) 7.170 26.877 ( -1.299 5.919 -8.334) 10.304 27.938 ( -2.695 -0.102 3.796) 4.656 28.327 ( -4.286 10.235 1.915) 11.260 28.693 ( -2.088 -2.349 -1.690) 3.569 29.009 ( 3.853 -9.434 -1.920) 10.370 ======================= Grid point 173 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -21.899 -10.284 -4.574) 24.622 2.709 ( -13.371 -5.826 10.801) 18.149 2.825 ( -8.641 2.776 3.484) 9.721 3.266 ( -8.987 0.313 3.080) 9.505 3.508 ( -16.067 -5.678 -6.816) 18.353 3.709 ( 2.513 -0.503 -0.333) 2.585 3.810 ( 7.502 -0.700 16.160) 17.830 3.945 ( 22.757 4.229 -4.295) 23.542 4.246 ( -10.047 -7.532 3.259) 12.973 4.602 ( -14.068 0.938 -3.342) 14.490 4.920 ( -4.573 5.248 -2.607) 7.433 5.351 ( 10.216 1.996 -12.275) 16.094 5.753 ( -7.882 -24.146 9.259) 27.035 5.854 ( 3.805 11.738 -9.146) 15.360 6.101 ( -0.584 6.311 0.517) 6.359 6.513 ( 0.636 -12.212 -1.726) 12.350 6.783 ( -3.528 -7.665 16.040) 18.124 7.155 ( -4.516 5.891 0.498) 7.439 7.526 ( 1.927 5.720 8.333) 10.290 7.751 ( 6.089 7.394 -0.096) 9.579 7.903 ( -17.521 -28.937 -0.996) 33.843 8.130 ( 10.713 -6.903 -11.877) 17.421 8.445 ( 7.099 23.289 5.144) 24.884 8.820 ( 7.341 -1.230 5.352) 9.168 9.046 ( -5.735 2.591 1.827) 6.553 9.425 ( 2.543 2.632 3.153) 4.831 9.524 ( 0.329 4.602 -12.171) 13.016 10.039 ( 1.078 11.073 -1.298) 11.201 10.338 ( 0.712 5.535 1.554) 5.793 10.499 ( -8.955 3.532 -1.883) 9.809 10.900 ( 3.472 16.570 0.124) 16.930 11.625 ( 3.782 -3.764 -4.210) 6.796 11.666 ( 3.210 -22.117 -7.364) 23.531 12.138 ( -17.067 -13.863 1.229) 22.022 12.921 ( 11.601 7.109 -3.940) 14.165 13.630 ( 16.944 20.613 2.682) 26.817 13.714 ( 7.606 -0.471 1.374) 7.744 13.819 ( -11.641 5.806 4.030) 13.619 14.092 ( -9.547 0.888 0.803) 9.622 14.746 ( 4.798 -7.917 -3.279) 9.821 14.978 ( 18.095 -20.417 -0.973) 27.299 15.760 ( -5.884 -7.247 2.640) 9.701 16.087 ( -5.225 6.431 5.986) 10.222 16.233 ( -17.717 -3.549 1.652) 18.145 16.497 ( 4.667 3.134 -5.944) 8.181 16.869 ( -0.914 6.933 -0.434) 7.006 17.271 ( -11.055 1.899 0.773) 11.243 17.451 ( 8.016 6.436 1.358) 10.369 18.500 ( 4.718 -9.841 2.030) 11.101 18.871 ( 0.361 -6.103 -1.263) 6.243 19.062 ( 0.749 -2.885 4.618) 5.496 19.223 ( 3.090 4.147 -10.571) 11.768 21.281 ( -2.401 -2.824 -8.275) 9.067 21.399 ( -0.714 -2.617 6.087) 6.664 22.160 ( 10.231 4.760 4.480) 12.141 23.568 ( 0.953 2.657 17.554) 17.780 24.651 ( 1.510 -5.227 -8.081) 9.742 24.987 ( -1.189 3.256 -1.291) 3.699 25.088 ( 2.584 0.949 -2.477) 3.703 25.612 ( 0.058 -4.097 -1.634) 4.411 26.663 ( -4.046 7.421 -6.400) 10.602 26.793 ( 0.827 1.765 3.370) 3.893 27.936 ( -1.385 -1.172 3.401) 3.855 28.162 ( -4.329 7.251 3.504) 9.143 28.658 ( -3.019 -1.525 -6.876) 7.663 29.202 ( 7.122 -7.312 2.421) 10.491 ======================= Grid point 181 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -12.772 -0.000 12.677) 17.995 2.680 ( -14.288 -0.000 4.211) 14.896 3.130 ( -18.943 -0.000 0.235) 18.945 3.273 ( -21.395 -0.000 -4.777) 21.922 3.456 ( 11.117 0.000 -3.694) 11.714 3.738 ( -3.432 -0.000 8.303) 8.984 3.745 ( 2.417 0.000 7.527) 7.906 4.030 ( -9.810 -0.000 7.448) 12.317 4.160 ( -6.434 -0.000 -0.889) 6.496 4.775 ( -22.717 -0.000 -1.734) 22.783 5.142 ( 8.791 0.000 -12.685) 15.434 5.599 ( -8.481 -0.000 -3.510) 9.179 5.688 ( 4.350 0.000 2.659) 5.098 5.918 ( -3.885 -0.000 -0.072) 3.886 6.129 ( -8.669 -0.000 0.157) 8.670 6.322 ( 8.341 0.000 -3.103) 8.899 6.761 ( -10.710 -0.000 -9.379) 14.236 7.095 ( -11.259 -0.000 14.352) 18.241 7.297 ( 8.841 0.000 15.296) 17.667 7.338 ( 1.126 0.000 5.990) 6.095 7.899 ( 4.246 0.000 -25.225) 25.580 7.994 ( 0.039 0.000 -7.506) 7.506 8.547 ( 12.078 0.000 7.063) 13.991 8.752 ( -5.454 -0.000 9.569) 11.014 9.409 ( 0.343 0.000 7.725) 7.733 9.605 ( 1.607 0.000 -11.032) 11.148 9.762 ( 13.209 0.000 -4.924) 14.097 10.175 ( 11.988 0.000 -3.983) 12.633 10.187 ( 7.813 0.000 -6.469) 10.144 10.731 ( -2.211 -0.000 2.891) 3.639 11.321 ( -5.253 -0.000 -1.935) 5.599 11.501 ( -4.038 -0.000 -2.726) 4.872 11.524 ( -17.205 -0.000 -1.373) 17.259 11.835 ( -19.638 -0.000 12.488) 23.272 13.166 ( 20.107 0.000 2.964) 20.325 13.453 ( 24.439 0.000 -4.116) 24.783 13.676 ( 16.047 0.000 5.614) 17.001 13.755 ( 4.204 0.000 -0.214) 4.209 14.271 ( 11.658 0.000 -0.042) 11.658 14.400 ( -4.422 -0.000 2.600) 5.130 14.584 ( -12.019 -0.000 -6.441) 13.636 15.491 ( -8.889 -0.000 -5.013) 10.205 16.099 ( -8.994 -0.000 6.897) 11.334 16.583 ( 4.524 0.000 -9.972) 10.950 16.752 ( -1.543 -0.000 -1.683) 2.283 16.883 ( -8.592 -0.000 -2.286) 8.891 17.442 ( -3.267 -0.000 4.811) 5.815 18.016 ( -9.198 -0.000 -3.846) 9.970 18.088 ( 7.332 0.000 1.260) 7.439 18.366 ( -4.329 -0.000 12.079) 12.831 18.916 ( 4.975 0.000 -0.499) 5.000 19.351 ( 4.722 0.000 -2.593) 5.387 21.318 ( -3.644 -0.000 -6.742) 7.664 21.415 ( -2.779 -0.000 -2.466) 3.715 22.083 ( 6.548 0.000 5.316) 8.434 23.304 ( 13.574 0.000 17.343) 22.024 24.587 ( 0.333 0.000 -4.472) 4.485 25.057 ( 5.382 0.000 -2.265) 5.839 25.206 ( -2.992 -0.000 -8.895) 9.384 25.468 ( -1.392 -0.000 2.543) 2.899 26.769 ( 0.731 0.000 8.021) 8.055 26.966 ( 0.078 0.000 -10.091) 10.091 27.936 ( -3.458 -0.000 3.581) 4.978 28.548 ( -3.688 -0.000 -0.110) 3.690 28.667 ( -0.788 -0.000 11.597) 11.624 28.789 ( 0.859 0.000 -12.005) 12.035 ======================= Grid point 182 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -23.099 1.184 2.030) 23.219 2.544 ( -21.536 -6.790 17.221) 28.398 2.890 ( -13.098 1.519 -0.467) 13.194 3.016 ( -16.189 -9.229 -2.835) 18.850 3.620 ( -14.915 6.181 2.684) 16.366 3.629 ( 7.360 -3.590 4.580) 9.383 3.784 ( -0.366 -1.518 7.719) 7.875 3.945 ( -4.927 -1.610 3.475) 6.241 4.109 ( -2.833 -2.342 -3.863) 5.332 4.538 ( -12.793 -4.931 -3.336) 14.110 5.251 ( 4.694 6.160 0.334) 7.752 5.318 ( -9.126 3.203 -5.595) 11.173 5.590 ( 4.779 15.972 -2.168) 16.812 5.946 ( -10.319 -8.180 2.317) 13.371 6.145 ( 2.147 -12.910 -5.068) 14.035 6.433 ( 17.020 8.173 -4.098) 19.320 6.554 ( -10.857 -1.344 1.937) 11.110 7.190 ( -11.747 -21.204 10.470) 26.405 7.303 ( -1.297 4.460 -1.848) 4.999 7.528 ( 6.121 -3.927 14.819) 16.507 7.895 ( 8.853 2.486 -11.761) 14.929 7.973 ( 4.827 -1.425 -10.830) 11.942 8.706 ( -7.158 -2.092 5.471) 9.249 8.785 ( 14.215 -0.726 9.178) 16.936 9.368 ( -4.003 10.113 6.429) 12.634 9.548 ( -0.510 -0.779 -14.712) 14.742 9.755 ( 11.572 22.056 -0.216) 24.908 10.212 ( 6.407 6.935 -3.983) 10.247 10.299 ( 7.855 -2.779 -3.431) 9.011 10.862 ( -15.545 -0.242 -7.239) 17.149 11.008 ( -5.525 -10.400 3.117) 12.182 11.337 ( 0.053 12.823 -0.713) 12.843 11.514 ( 0.305 -5.508 0.012) 5.516 11.735 ( -19.883 -14.293 6.025) 25.217 13.294 ( 14.679 16.695 -1.783) 22.301 13.662 ( 14.616 3.155 2.212) 15.115 13.768 ( -1.448 -1.635 2.820) 3.567 13.996 ( -2.706 -9.004 -0.440) 9.412 14.323 ( 4.800 12.596 -0.416) 13.486 14.459 ( 13.960 -8.789 1.012) 16.528 14.593 ( 11.523 -6.207 -2.484) 13.323 15.408 ( -9.459 -12.630 -4.356) 16.370 16.035 ( -6.339 -0.793 6.461) 9.086 16.475 ( -8.202 6.724 -8.534) 13.613 16.628 ( -6.339 5.327 -2.457) 8.637 16.851 ( -0.145 -3.420 0.396) 3.446 17.351 ( -11.517 1.865 3.146) 12.083 17.785 ( 2.568 16.840 -1.236) 17.079 18.248 ( 5.527 -8.216 2.994) 10.345 18.525 ( -1.196 -16.036 6.455) 17.328 18.985 ( 3.228 -1.230 0.810) 3.548 19.363 ( 2.852 3.449 -4.304) 6.209 21.240 ( -3.338 -0.587 -5.792) 6.711 21.378 ( -2.397 0.159 2.726) 3.633 22.242 ( 13.792 1.562 4.242) 14.514 23.569 ( 9.955 -1.072 14.653) 17.747 24.570 ( -0.243 -1.285 -5.230) 5.391 25.103 ( 4.174 0.481 -2.884) 5.096 25.108 ( -2.124 4.426 -5.600) 7.447 25.479 ( -2.320 -4.817 0.952) 5.431 26.818 ( 1.034 2.472 6.967) 7.465 26.867 ( -1.506 3.554 -11.710) 12.329 27.911 ( -3.050 -0.615 3.317) 4.548 28.419 ( -3.867 10.574 1.979) 11.432 28.640 ( -2.112 2.195 -2.911) 4.214 28.913 ( 3.599 -14.309 2.543) 14.972 ======================= Grid point 183 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -30.439 -5.743 -2.536) 31.080 2.333 ( -31.596 -7.226 17.378) 36.776 2.822 ( -7.647 -12.262 -2.480) 14.662 3.013 ( -3.405 -7.518 6.368) 10.425 3.306 ( -13.361 6.036 0.800) 14.683 3.699 ( -4.498 1.019 0.167) 4.615 3.925 ( -2.045 -9.309 13.608) 16.614 3.962 ( -1.256 -10.934 3.460) 11.537 4.083 ( -6.166 -7.209 -4.534) 10.514 4.512 ( 6.475 -1.136 -8.880) 11.048 4.966 ( -5.358 10.901 1.586) 12.250 5.429 ( -3.167 -4.014 0.564) 5.144 5.535 ( 13.717 -0.248 -8.505) 16.142 5.930 ( 0.013 1.967 2.221) 2.966 6.249 ( 4.616 1.086 -7.047) 8.493 6.501 ( -18.424 -16.716 5.786) 25.541 6.535 ( 13.696 7.958 -0.246) 15.842 7.233 ( 1.471 5.228 4.202) 6.867 7.360 ( -10.819 -21.177 6.587) 24.676 7.698 ( 5.545 2.627 11.502) 13.036 7.878 ( 5.141 4.864 -2.340) 7.454 8.099 ( 9.777 -7.709 -11.947) 17.256 8.686 ( -3.625 -3.521 0.769) 5.112 8.982 ( 4.414 11.177 8.863) 14.932 9.130 ( 0.682 12.852 3.148) 13.250 9.464 ( -2.758 0.622 -10.431) 10.807 9.638 ( 8.795 17.485 1.784) 19.654 10.144 ( -2.424 8.734 -5.364) 10.532 10.380 ( -14.435 12.621 -2.069) 19.286 10.403 ( 1.775 -4.185 -3.685) 5.852 11.167 ( 0.920 11.430 0.642) 11.485 11.376 ( 3.642 -22.881 -4.036) 23.518 11.586 ( -4.644 -12.219 -0.832) 13.098 11.695 ( -9.216 -9.186 0.994) 13.050 13.182 ( 3.461 13.720 -6.255) 15.470 13.768 ( 4.178 6.483 -0.601) 7.736 13.815 ( -6.623 -4.447 10.329) 13.051 13.993 ( 6.448 -0.246 -0.716) 6.492 14.168 ( 10.108 23.420 3.648) 25.768 14.660 ( 0.595 -7.238 -2.691) 7.745 15.013 ( 18.770 -14.259 -2.037) 23.660 15.543 ( -0.793 -19.247 -0.642) 19.274 15.969 ( -15.043 -0.967 6.022) 16.232 16.139 ( -7.880 11.344 -3.216) 14.182 16.518 ( -1.202 0.066 -4.731) 4.882 16.899 ( 0.308 -1.123 1.229) 1.693 17.152 ( -10.605 2.061 1.189) 10.868 17.717 ( 11.730 10.654 0.740) 15.864 18.459 ( 4.729 -9.515 2.870) 11.006 18.728 ( -0.669 -13.049 0.972) 13.103 19.036 ( 0.092 -2.118 0.957) 2.326 19.299 ( 1.159 6.943 -4.737) 8.484 21.185 ( -2.210 -1.580 -5.118) 5.795 21.375 ( -2.835 -2.020 5.997) 6.934 22.461 ( 20.007 4.942 3.461) 20.897 23.703 ( 0.241 4.623 12.429) 13.263 24.561 ( -0.658 -2.875 -5.668) 6.389 24.980 ( -3.981 4.128 -1.489) 5.925 25.162 ( 6.158 -0.354 -1.779) 6.420 25.528 ( -1.206 -5.909 -1.512) 6.217 26.645 ( -5.585 7.882 -13.650) 16.722 26.864 ( 1.006 2.630 6.907) 7.458 27.908 ( -2.115 -1.959 3.343) 4.414 28.231 ( -4.599 10.404 4.452) 12.215 28.568 ( -2.676 -0.334 -6.749) 7.267 29.206 ( 9.143 -12.911 4.468) 16.439 ======================= Grid point 192 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -31.584 -0.000 -0.482) 31.588 2.240 ( -34.880 -0.000 22.637) 41.582 2.508 ( -23.023 -0.000 -6.210) 23.846 2.972 ( 2.762 0.000 10.111) 10.481 3.441 ( -20.990 -0.000 8.407) 22.610 3.676 ( -9.201 -0.000 -2.318) 9.488 3.730 ( 5.937 0.000 3.895) 7.101 3.818 ( -8.654 -0.000 -1.681) 8.816 3.994 ( -10.893 -0.000 4.390) 11.744 4.475 ( 5.340 0.000 -4.338) 6.880 5.156 ( -15.594 -0.000 -3.605) 16.005 5.461 ( 14.126 0.000 3.838) 14.638 5.727 ( -4.999 -0.000 -4.351) 6.627 5.757 ( -2.955 -0.000 -2.770) 4.050 5.999 ( 3.499 0.000 -1.382) 3.762 6.437 ( -1.711 -0.000 -7.141) 7.343 6.763 ( 22.214 0.000 -5.859) 22.974 7.002 ( -9.305 -0.000 21.381) 23.318 7.306 ( 0.900 0.000 -4.126) 4.223 7.675 ( 5.756 0.000 16.922) 17.875 7.996 ( 4.168 0.000 -2.232) 4.728 7.997 ( 12.965 0.000 -13.095) 18.428 8.571 ( -9.854 -0.000 1.416) 9.955 9.020 ( 12.282 0.000 9.454) 15.499 9.392 ( -6.682 -0.000 6.341) 9.211 9.454 ( -1.701 -0.000 -12.565) 12.680 10.068 ( 8.320 0.000 -2.004) 8.558 10.354 ( 6.079 0.000 -5.717) 8.346 10.425 ( 9.943 0.000 -6.637) 11.955 10.584 ( -6.507 -0.000 -7.769) 10.134 10.785 ( -19.410 -0.000 6.242) 20.389 11.236 ( -16.414 -0.000 0.163) 16.414 11.432 ( -8.573 -0.000 1.198) 8.657 11.627 ( 9.406 0.000 1.047) 9.464 13.416 ( -10.924 -0.000 -0.502) 10.936 13.685 ( -5.894 -0.000 4.707) 7.543 13.925 ( 10.003 0.000 0.439) 10.013 14.051 ( 19.556 0.000 -3.581) 19.881 14.458 ( 7.829 0.000 4.756) 9.160 14.650 ( 12.772 0.000 2.135) 12.950 14.734 ( 13.798 0.000 -2.957) 14.111 15.140 ( -7.032 -0.000 -5.724) 9.067 15.974 ( -7.353 -0.000 5.834) 9.386 16.363 ( -8.624 -0.000 -8.821) 12.336 16.513 ( -10.305 -0.000 -3.986) 11.050 16.845 ( 1.530 0.000 0.944) 1.798 17.204 ( -12.551 -0.000 2.088) 12.724 17.983 ( 7.950 0.000 -3.672) 8.757 18.213 ( -1.929 -0.000 10.617) 10.791 18.493 ( 6.519 0.000 3.458) 7.380 19.013 ( 0.761 0.000 1.874) 2.023 19.393 ( 1.319 0.000 -3.838) 4.059 21.168 ( -2.968 -0.000 -2.926) 4.168 21.357 ( -3.532 -0.000 4.667) 5.853 22.524 ( 21.603 0.000 4.163) 22.001 23.749 ( 8.182 0.000 4.915) 9.545 24.533 ( -1.126 -0.000 -0.697) 1.324 25.083 ( -3.480 -0.000 -4.806) 5.934 25.134 ( 2.610 0.000 -3.381) 4.272 25.418 ( -1.409 -0.000 2.297) 2.695 26.774 ( -3.410 -0.000 -18.893) 19.199 26.904 ( 1.222 0.000 9.525) 9.603 27.879 ( -2.981 -0.000 3.190) 4.366 28.455 ( -1.919 -0.000 -0.541) 1.994 28.663 ( -0.679 -0.000 -12.256) 12.275 28.837 ( 2.196 0.000 18.510) 18.640 ======================= Grid point 193 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -34.769 0.919 2.870) 34.899 1.823 ( -38.032 -8.719 8.712) 39.979 2.327 ( -28.533 -18.286 20.616) 39.668 3.047 ( -2.873 3.034 7.095) 8.234 3.257 ( -2.041 -1.618 5.095) 5.722 3.606 ( -11.693 -6.467 -8.322) 15.742 3.632 ( -6.466 -1.892 0.668) 6.771 3.862 ( -2.705 -8.622 -11.527) 14.647 3.917 ( -6.586 -7.467 14.337) 17.455 4.522 ( 1.041 -0.650 1.436) 1.889 4.921 ( -12.194 -0.123 -0.927) 12.230 5.485 ( 2.251 8.433 -2.823) 9.173 5.718 ( 12.922 2.771 -6.784) 14.856 5.900 ( 2.144 -17.163 0.064) 17.296 6.094 ( -0.078 -4.262 2.203) 4.798 6.369 ( 5.148 7.520 -6.977) 11.478 6.922 ( 13.550 13.068 5.179) 19.525 7.114 ( -0.470 -10.683 9.677) 14.422 7.332 ( 2.788 0.524 5.426) 6.123 7.836 ( 2.509 -0.989 16.182) 16.405 8.018 ( 3.006 3.513 1.493) 4.859 8.133 ( 14.241 -0.654 -9.780) 17.288 8.531 ( -1.007 -8.302 -4.074) 9.302 9.151 ( -4.173 6.409 9.887) 12.500 9.276 ( 1.204 6.323 -0.008) 6.436 9.386 ( -1.044 -1.265 -6.089) 6.306 10.091 ( 10.060 16.174 -0.894) 19.068 10.152 ( -10.406 18.092 -6.704) 21.921 10.283 ( -10.293 8.085 -4.358) 13.795 10.395 ( -0.610 2.633 -4.838) 5.542 10.929 ( -13.747 -19.729 1.289) 24.081 11.169 ( -3.069 -23.750 -2.662) 24.095 11.356 ( -0.297 2.572 -0.843) 2.722 11.746 ( 8.240 1.379 -0.483) 8.369 13.198 ( -11.996 3.067 -0.352) 12.387 13.674 ( -5.216 -3.770 7.359) 9.776 14.042 ( 10.333 8.287 0.220) 13.247 14.151 ( 8.311 7.815 -2.802) 11.748 14.567 ( 0.914 -1.454 0.769) 1.882 14.589 ( 5.879 16.787 2.469) 17.957 15.097 ( 18.372 -13.321 -1.235) 22.727 15.288 ( 6.632 -20.973 -1.459) 22.045 15.817 ( -17.003 7.386 3.966) 18.958 16.138 ( -6.776 5.571 -3.971) 9.630 16.412 ( -4.622 -5.191 -5.700) 8.989 16.887 ( 0.809 -2.164 1.236) 2.620 17.047 ( -8.309 1.315 1.459) 8.538 18.012 ( 11.077 8.866 0.630) 14.202 18.366 ( 1.119 -13.488 2.457) 13.756 18.634 ( 5.005 -5.189 0.426) 7.222 19.020 ( -2.129 -0.234 2.892) 3.599 19.363 ( 0.674 3.899 -2.644) 4.759 21.130 ( -1.833 -0.227 0.906) 2.057 21.334 ( -4.118 -1.444 5.225) 6.808 22.855 ( 24.718 4.632 3.089) 25.338 23.804 ( 2.185 3.495 -3.861) 5.648 24.530 ( -1.136 1.106 5.636) 5.854 24.944 ( -7.484 1.977 -2.875) 8.257 25.200 ( 4.413 -3.362 -1.309) 5.700 25.447 ( 0.015 -3.082 0.360) 3.103 26.556 ( -7.487 5.519 -20.431) 22.448 26.942 ( -0.653 2.241 8.065) 8.396 27.869 ( -2.402 -1.626 3.411) 4.477 28.359 ( -2.536 13.473 4.033) 14.291 28.513 ( -1.995 2.987 -7.304) 8.140 29.170 ( 10.283 -19.078 10.658) 24.152 ======================= Grid point 203 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -33.028 -0.000 14.327) 36.002 1.184 ( -39.231 -0.000 3.395) 39.377 1.912 ( -39.057 -0.000 53.217) 66.011 3.085 ( -5.255 -0.000 1.677) 5.516 3.117 ( -8.981 -0.000 7.079) 11.436 3.413 ( -5.509 -0.000 -18.547) 19.348 3.607 ( 3.103 0.000 3.340) 4.559 3.653 ( -4.212 -0.000 -16.448) 16.979 3.788 ( -10.089 -0.000 4.657) 11.112 4.581 ( 1.977 0.000 12.002) 12.164 4.734 ( -8.719 -0.000 -2.607) 9.101 5.402 ( -16.541 -0.000 3.589) 16.926 5.833 ( 12.934 0.000 -13.118) 18.422 5.967 ( 15.833 0.000 -1.816) 15.937 6.186 ( 10.396 0.000 5.005) 11.538 6.486 ( 6.327 0.000 -7.308) 9.667 7.161 ( 8.057 0.000 33.150) 34.116 7.264 ( 15.198 0.000 -6.529) 16.541 7.395 ( 1.516 0.000 7.174) 7.332 7.889 ( -9.345 -0.000 11.983) 15.196 8.039 ( -1.285 -0.000 7.379) 7.490 8.331 ( 21.061 0.000 -0.745) 21.074 8.574 ( 18.416 0.000 -3.927) 18.830 9.120 ( -12.532 -0.000 7.609) 14.661 9.316 ( -1.087 -0.000 -3.890) 4.039 9.377 ( 3.505 0.000 1.324) 3.747 10.023 ( -14.986 -0.000 -0.553) 14.996 10.140 ( -13.371 -0.000 -20.565) 24.530 10.211 ( -6.139 -0.000 -0.345) 6.149 10.538 ( -4.682 -0.000 -3.386) 5.777 10.654 ( 2.393 0.000 -1.831) 3.013 10.934 ( 3.884 0.000 4.204) 5.723 11.361 ( 0.601 0.000 -3.146) 3.203 11.856 ( 6.280 0.000 -1.744) 6.517 13.037 ( -12.014 -0.000 4.826) 12.947 13.656 ( -0.608 -0.000 7.380) 7.405 14.170 ( -7.762 -0.000 -10.225) 12.837 14.201 ( 6.473 0.000 0.802) 6.522 14.641 ( 2.027 0.000 9.173) 9.394 14.843 ( 10.298 0.000 -0.275) 10.301 15.184 ( 20.762 0.000 1.510) 20.817 15.323 ( 11.185 0.000 -0.946) 11.225 15.678 ( -16.804 -0.000 4.103) 17.298 16.011 ( -10.837 -0.000 -7.031) 12.919 16.274 ( -3.624 -0.000 -3.021) 4.717 16.890 ( 0.747 0.000 0.846) 1.128 16.973 ( -4.199 -0.000 1.034) 4.324 18.219 ( -3.975 -0.000 -11.116) 11.806 18.251 ( 11.683 0.000 -1.056) 11.731 18.682 ( 4.849 0.000 -0.898) 4.931 18.993 ( -4.721 -0.000 5.109) 6.956 19.388 ( 0.790 0.000 -2.252) 2.386 21.166 ( 3.161 0.000 13.153) 13.528 21.280 ( -4.879 -0.000 4.056) 6.345 23.291 ( 27.349 0.000 4.205) 27.670 23.768 ( 1.266 0.000 -23.619) 23.653 24.616 ( 0.368 0.000 17.880) 17.884 24.762 ( -14.329 -0.000 -3.942) 14.861 25.234 ( 3.911 0.000 1.542) 4.204 25.448 ( 1.035 0.000 0.634) 1.214 26.346 ( -11.445 -0.000 -21.094) 23.999 26.970 ( -3.364 -0.000 6.535) 7.350 27.845 ( -1.979 -0.000 3.717) 4.211 28.466 ( 2.602 0.000 -2.329) 3.492 28.518 ( -0.248 -0.000 -7.652) 7.656 29.213 ( 10.096 0.000 18.941) 21.464 ======================= Grid point 204 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.348 0.000 35.853) 35.878 1.748 ( 1.407 0.000 37.178) 37.204 2.366 ( -2.193 -0.000 -31.658) 31.734 2.486 ( -4.796 -0.000 -27.635) 28.048 3.152 ( 8.148 0.000 3.569) 8.896 3.176 ( -8.774 -0.000 39.191) 40.161 3.268 ( -11.750 -0.000 3.939) 12.393 3.603 ( -0.620 -0.000 -7.357) 7.383 3.634 ( 6.257 0.000 11.730) 13.295 4.315 ( 7.729 0.000 -29.902) 30.885 5.175 ( -8.857 -0.000 21.961) 23.680 5.324 ( -5.767 -0.000 10.930) 12.358 5.718 ( 7.846 0.000 -9.474) 12.301 5.946 ( 10.600 0.000 -30.384) 32.179 6.380 ( -2.423 -0.000 4.073) 4.739 6.491 ( 5.880 0.000 -4.449) 7.374 7.159 ( -10.745 -0.000 7.335) 13.010 7.308 ( -4.532 -0.000 -4.466) 6.362 7.721 ( -14.043 -0.000 6.435) 15.447 7.937 ( 25.903 0.000 -12.928) 28.950 8.485 ( 3.729 0.000 11.565) 12.151 8.677 ( -11.904 -0.000 -5.446) 13.090 9.001 ( -21.689 -0.000 8.031) 23.128 9.162 ( 22.809 0.000 -6.086) 23.607 9.420 ( 0.295 0.000 3.120) 3.134 9.428 ( -1.793 -0.000 3.777) 4.181 9.548 ( -2.546 -0.000 0.488) 2.592 9.602 ( -1.933 -0.000 -3.725) 4.197 10.311 ( 8.020 0.000 -3.203) 8.636 10.314 ( 0.078 0.000 -1.201) 1.204 10.699 ( -1.887 -0.000 11.188) 11.346 11.020 ( 1.356 0.000 -14.803) 14.865 11.501 ( 2.698 0.000 12.008) 12.307 11.741 ( -1.737 -0.000 -9.460) 9.618 13.203 ( 1.633 0.000 13.430) 13.529 13.473 ( -5.726 -0.000 -9.936) 11.468 14.071 ( 8.305 0.000 3.050) 8.848 14.162 ( -4.383 -0.000 -4.597) 6.352 15.187 ( 10.107 0.000 5.661) 11.584 15.257 ( 3.801 0.000 5.003) 6.283 15.283 ( -3.149 -0.000 -1.796) 3.625 15.412 ( -10.092 -0.000 -7.988) 12.871 15.526 ( -1.654 -0.000 3.123) 3.534 15.605 ( 0.710 0.000 -3.451) 3.523 16.375 ( 9.609 0.000 6.003) 11.329 16.523 ( -15.209 -0.000 -7.327) 16.882 16.989 ( 1.398 0.000 1.689) 2.193 17.011 ( -4.922 -0.000 0.051) 4.923 18.532 ( 4.335 0.000 2.247) 4.883 18.608 ( -3.265 -0.000 -4.428) 5.502 19.100 ( -4.865 -0.000 9.350) 10.540 19.277 ( 4.211 0.000 -6.352) 7.621 21.307 ( -1.224 -0.000 4.849) 5.001 21.418 ( 0.026 0.000 -4.906) 4.906 23.746 ( -13.398 -0.000 -0.122) 13.398 23.779 ( 15.294 0.000 -3.215) 15.628 24.522 ( 12.005 0.000 1.821) 12.142 24.545 ( -13.554 -0.000 -0.078) 13.554 25.361 ( 1.660 0.000 2.764) 3.225 25.416 ( -1.486 -0.000 -2.132) 2.599 26.750 ( 24.236 0.000 3.187) 24.445 26.814 ( -13.359 -0.000 -2.467) 13.585 27.983 ( -1.594 -0.000 7.724) 7.887 28.171 ( 1.042 0.000 -9.053) 9.113 28.796 ( 13.316 0.000 4.398) 14.024 28.879 ( -22.997 -0.000 -3.098) 23.204 ======================= Grid point 205 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 7.243 -2.829 33.210) 34.109 2.055 ( 2.909 -8.959 19.709) 21.844 2.243 ( 5.425 -3.783 -13.405) 14.947 2.395 ( 0.213 -11.186 -28.150) 30.292 3.123 ( -4.190 -1.812 -0.627) 4.608 3.361 ( 11.432 -5.655 2.525) 13.002 3.390 ( 0.243 -7.543 29.912) 30.849 3.615 ( 1.390 -6.578 -5.973) 8.993 3.938 ( 11.385 -14.724 13.983) 23.279 4.329 ( 11.232 -6.387 -30.841) 33.438 5.152 ( -11.665 0.086 18.813) 22.136 5.342 ( -2.478 -3.564 13.647) 14.321 5.731 ( 1.274 2.531 -9.689) 10.095 5.914 ( 7.731 -2.450 -32.283) 33.287 6.301 ( -3.502 5.981 2.013) 7.217 6.461 ( 0.521 5.452 -5.321) 7.636 7.065 ( -15.176 -2.698 13.842) 20.717 7.224 ( -6.460 -0.805 3.280) 7.290 7.549 ( -10.501 2.341 2.576) 11.063 8.141 ( 17.618 6.498 -14.819) 23.921 8.474 ( -16.880 16.949 11.427) 26.510 8.522 ( -11.365 11.250 -1.144) 16.032 8.579 ( -0.854 1.554 12.751) 12.874 9.189 ( 18.854 21.562 -6.606) 29.395 9.396 ( -6.076 -3.067 -1.952) 7.081 9.478 ( 4.887 3.205 -0.394) 5.858 9.514 ( -14.744 -8.321 1.593) 17.005 9.851 ( 10.997 -18.008 -0.766) 21.114 10.184 ( 0.185 15.643 0.974) 15.675 10.404 ( 8.739 -1.850 -3.251) 9.506 10.801 ( -1.227 -6.916 8.633) 11.130 10.961 ( 0.327 -2.228 -12.692) 12.891 11.599 ( -1.426 -2.905 8.757) 9.335 11.669 ( -4.903 -4.187 -9.311) 11.325 13.330 ( 2.098 2.628 3.244) 4.672 13.439 ( 7.459 -4.558 3.241) 9.323 14.031 ( -6.724 4.014 -2.819) 8.323 14.266 ( 9.097 -9.148 -2.476) 13.136 14.772 ( -14.223 26.298 -2.406) 29.994 15.116 ( 14.054 25.219 3.761) 29.115 15.378 ( -7.679 5.641 -2.787) 9.928 15.428 ( -6.230 -1.477 1.669) 6.616 15.538 ( -13.327 -23.039 1.915) 26.685 15.824 ( 9.292 -23.065 1.905) 24.939 16.419 ( -0.489 -1.392 -6.171) 6.345 16.688 ( 15.369 -8.678 3.044) 17.910 17.007 ( -1.456 -3.957 0.827) 4.296 17.103 ( 7.318 -11.171 5.671) 14.509 18.492 ( -7.899 2.448 -4.359) 9.348 18.560 ( -1.713 -0.023 2.450) 2.989 19.090 ( -0.996 1.801 7.850) 8.116 19.287 ( 4.593 3.111 -6.341) 8.425 21.346 ( 1.997 -0.346 5.411) 5.778 21.427 ( 3.401 -1.192 -3.682) 5.152 23.403 ( -27.401 5.253 -3.161) 28.079 23.700 ( -11.102 8.259 3.188) 14.199 24.512 ( 7.476 -0.132 -0.524) 7.495 24.735 ( 16.303 4.395 0.768) 16.903 25.375 ( -3.409 -1.042 -0.754) 3.643 25.437 ( 1.573 -5.135 0.381) 5.384 26.614 ( -10.440 -0.123 -7.357) 12.772 27.026 ( 19.858 7.317 -2.940) 21.366 28.006 ( -1.120 -0.317 7.877) 7.962 28.115 ( 0.390 3.693 -5.048) 6.267 28.611 ( -18.014 -6.404 2.894) 19.336 29.024 ( 9.659 -3.424 4.104) 11.040 ======================= Grid point 206 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 6.378 -5.233 -6.603) 10.567 2.258 ( 11.581 -9.857 11.890) 19.304 2.446 ( 5.047 -13.353 -19.290) 23.997 2.516 ( 6.248 -6.636 26.567) 28.087 3.183 ( 1.763 -9.407 2.006) 9.779 3.544 ( 1.211 -2.451 3.154) 4.174 3.640 ( 10.221 -5.953 -0.408) 11.835 3.756 ( 3.897 -10.261 0.786) 11.004 4.308 ( 7.091 -10.878 -10.286) 16.565 4.590 ( 14.748 -25.275 2.940) 29.410 5.022 ( -14.151 3.843 15.330) 21.214 5.385 ( -8.713 5.795 6.027) 12.076 5.657 ( 1.303 -2.451 -7.947) 8.418 5.881 ( 1.736 -2.863 -18.199) 18.504 6.241 ( 3.839 1.171 -3.543) 5.353 6.414 ( 3.005 -3.355 -5.300) 6.955 6.912 ( -13.857 -1.482 5.447) 14.963 7.209 ( -10.677 -5.047 14.514) 18.712 7.387 ( -7.538 6.139 4.976) 10.921 7.960 ( -13.068 22.964 9.107) 27.948 8.129 ( 11.945 14.879 -15.881) 24.825 8.392 ( -0.408 5.429 0.073) 5.444 8.610 ( -2.366 2.746 13.873) 14.339 9.173 ( 18.700 17.582 -8.675) 27.094 9.289 ( -4.297 5.905 -5.234) 8.985 9.365 ( -8.015 5.213 2.392) 9.856 9.497 ( -10.705 -11.665 0.377) 15.837 10.006 ( -0.109 9.495 0.385) 9.503 10.147 ( 14.582 -1.553 -7.130) 16.306 10.654 ( 10.066 -12.728 4.776) 16.915 10.790 ( -4.495 -0.548 -6.392) 7.833 11.068 ( 7.397 -8.773 1.010) 11.520 11.610 ( -4.986 -1.815 4.059) 6.681 11.621 ( -7.775 -7.608 -5.385) 12.138 13.278 ( 2.726 7.519 -5.524) 9.720 13.640 ( 10.798 9.010 4.134) 14.659 13.900 ( -6.041 -3.017 6.953) 9.692 14.230 ( -15.460 18.104 0.538) 23.813 14.521 ( 6.979 -9.830 -7.720) 14.315 15.029 ( 1.891 12.340 7.044) 14.334 15.112 ( -0.753 14.815 -6.621) 16.245 15.371 ( -2.431 0.401 2.878) 3.788 15.713 ( -12.240 -26.043 1.950) 28.842 16.192 ( 5.108 -15.136 3.385) 16.329 16.420 ( 3.010 -1.227 -7.155) 7.859 16.848 ( 1.575 0.000 0.492) 1.650 17.062 ( -0.246 -5.635 0.719) 5.686 17.595 ( 19.118 -21.369 8.606) 29.936 18.279 ( -11.267 5.717 -3.872) 13.214 18.537 ( -3.746 -1.147 2.974) 4.919 19.104 ( 1.821 2.779 4.615) 5.687 19.262 ( 3.754 4.387 -5.921) 8.270 21.410 ( 4.129 0.490 3.032) 5.146 21.473 ( 3.153 0.602 -3.010) 4.401 22.889 ( -25.014 11.264 -1.917) 27.500 23.510 ( -14.454 -3.461 9.076) 17.415 24.649 ( 10.582 0.526 0.743) 10.621 24.834 ( 12.624 9.870 -1.667) 16.111 25.318 ( -6.139 -1.031 -1.079) 6.318 25.521 ( 1.065 -4.395 -1.892) 4.902 26.478 ( -5.476 -2.777 -8.332) 10.350 27.081 ( 9.399 12.133 -2.246) 15.511 28.043 ( -0.396 0.117 4.976) 4.994 28.067 ( 0.535 1.541 2.156) 2.703 28.532 ( -9.435 -9.066 -2.798) 13.380 29.179 ( 5.078 -0.939 4.815) 7.061 ======================= Grid point 207 (90/141) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 8.335 -10.301 -10.264) 16.761 2.573 ( 14.507 -7.813 -8.653) 18.611 2.627 ( 3.358 -10.280 11.019) 15.439 2.908 ( 16.581 -8.366 21.566) 28.461 3.410 ( 5.185 -14.045 4.851) 15.738 3.497 ( -2.852 6.079 -4.858) 8.288 3.781 ( 1.317 -0.229 7.053) 7.178 3.910 ( 3.284 -8.513 -12.059) 15.122 4.399 ( -2.135 -8.076 -8.731) 12.084 4.859 ( -8.153 2.526 7.086) 11.093 5.095 ( -14.097 9.623 3.792) 17.485 5.246 ( 14.430 -27.552 7.194) 31.923 5.535 ( -9.644 3.590 -8.219) 13.170 5.865 ( -1.969 -0.662 -5.164) 5.566 6.277 ( 4.069 0.333 -6.707) 7.851 6.579 ( 1.127 -9.962 -1.364) 10.118 6.958 ( 2.104 -16.858 4.751) 17.641 7.132 ( -6.981 0.327 8.238) 10.803 7.317 ( -1.019 3.346 11.294) 11.824 7.630 ( -3.908 11.669 2.330) 12.525 8.015 ( 11.486 13.967 -15.245) 23.652 8.334 ( 3.176 9.933 2.990) 10.848 8.595 ( -3.932 3.094 12.396) 13.367 9.006 ( -4.973 18.664 -6.448) 20.362 9.120 ( -5.539 3.968 -3.716) 7.761 9.265 ( 6.529 8.545 6.758) 12.701 9.533 ( -9.693 -14.655 -2.857) 17.801 9.909 ( 4.432 6.414 -8.876) 11.813 10.299 ( 11.254 0.856 -5.080) 12.377 10.667 ( -4.004 3.527 -7.081) 8.867 10.883 ( 0.738 -0.204 9.288) 9.320 11.416 ( 17.682 -14.258 1.182) 22.745 11.511 ( -10.299 -4.109 -3.011) 11.490 11.669 ( -2.049 -11.739 -0.195) 11.918 13.088 ( -3.503 15.515 -9.097) 18.323 13.597 ( 6.363 10.477 6.546) 13.896 13.831 ( -4.450 12.943 -1.539) 13.773 14.046 ( -3.662 -6.700 7.912) 10.996 14.476 ( -15.669 8.734 1.262) 17.983 14.849 ( 4.550 5.007 -13.584) 15.176 15.222 ( 9.956 -10.423 8.492) 16.730 15.367 ( 3.490 3.268 1.173) 4.923 15.857 ( -9.974 -19.290 0.044) 21.716 16.367 ( -2.138 -4.920 5.355) 7.580 16.478 ( 5.273 -3.947 -5.906) 8.847 16.810 ( -2.881 3.989 1.187) 5.062 17.150 ( 1.199 -6.370 0.318) 6.489 17.925 ( -9.842 5.297 1.057) 11.227 18.194 ( 10.142 -13.401 2.353) 16.969 18.542 ( -0.682 -3.361 2.094) 4.018 19.091 ( 1.331 5.374 1.055) 5.636 19.234 ( 2.855 2.438 -4.540) 5.891 21.419 ( 1.273 4.724 -9.738) 10.898 21.505 ( 4.909 -0.365 4.657) 6.776 22.460 ( -17.515 10.146 4.920) 20.831 23.489 ( -11.091 -11.595 12.236) 20.178 24.758 ( 5.695 1.972 -2.107) 6.384 24.865 ( 13.918 10.090 -1.528) 17.259 25.216 ( -8.118 0.323 -1.123) 8.202 25.558 ( 0.077 -3.046 -3.665) 4.766 26.438 ( -2.216 -4.309 -5.865) 7.608 27.000 ( 2.834 10.947 -0.637) 11.326 28.027 ( 0.076 1.864 1.018) 2.125 28.117 ( 0.592 -1.121 7.613) 7.718 28.517 ( -4.067 -6.777 -8.151) 11.353 29.252 ( 1.933 0.237 4.736) 5.120 ======================= Grid point 208 (91/141) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 7.499 -12.095 -5.078) 15.110 2.808 ( 11.174 -4.745 0.055) 12.140 2.900 ( 10.613 -7.240 7.842) 15.052 3.214 ( -9.101 8.330 -3.088) 12.718 3.359 ( 15.819 -3.651 2.976) 16.505 3.728 ( 0.851 -9.383 9.919) 13.680 3.805 ( 3.008 -2.597 13.208) 13.793 3.893 ( -1.601 2.540 -17.867) 18.118 4.380 ( -9.569 -7.197 -1.366) 12.051 4.789 ( -0.268 4.190 -0.176) 4.203 4.859 ( -9.225 1.190 7.818) 12.151 5.305 ( -7.228 0.840 -11.597) 13.690 5.502 ( -6.269 5.541 -6.728) 10.737 5.945 ( 4.161 -8.639 4.626) 10.646 6.320 ( 2.504 -7.487 -6.301) 10.101 6.723 ( 1.941 -18.295 -1.391) 18.450 7.022 ( -7.561 -3.458 17.896) 19.733 7.200 ( 7.285 15.956 -3.051) 17.803 7.307 ( -3.526 2.311 18.045) 18.531 7.698 ( 4.756 -9.757 -10.948) 15.417 8.032 ( 11.950 3.876 -3.772) 13.117 8.200 ( 4.831 9.173 1.151) 10.431 8.562 ( -0.618 2.665 5.129) 5.813 8.708 ( -9.032 5.506 -3.820) 11.247 8.968 ( -5.548 5.369 0.041) 7.720 9.334 ( 12.283 7.146 4.571) 14.928 9.537 ( -13.326 -13.454 -2.633) 19.119 9.859 ( 3.907 5.304 -8.668) 10.887 10.376 ( 4.565 1.093 -3.190) 5.675 10.525 ( -2.474 8.096 1.799) 8.654 10.806 ( -5.570 8.396 2.407) 10.359 11.414 ( -4.294 -5.125 -7.165) 9.800 11.721 ( 3.009 -8.035 -2.460) 8.926 11.991 ( 16.318 -15.225 1.366) 22.360 12.825 ( -6.025 3.075 -2.080) 7.077 13.513 ( 3.257 20.493 -1.510) 20.805 13.753 ( 6.507 2.879 5.205) 8.816 13.946 ( -20.580 0.718 -2.184) 20.708 14.211 ( -5.474 2.048 5.014) 7.700 14.827 ( 7.724 5.346 -7.679) 12.133 15.352 ( -3.271 -2.567 0.906) 4.256 15.615 ( 8.205 -14.993 9.232) 19.426 15.961 ( 3.175 -10.340 -6.781) 12.767 16.338 ( -10.633 2.503 7.882) 13.471 16.543 ( 3.554 0.756 -1.519) 3.938 16.722 ( -1.751 2.781 -1.126) 3.474 17.261 ( 2.749 -6.481 0.395) 7.051 17.646 ( -11.011 10.116 0.555) 14.963 18.469 ( 2.470 -10.068 1.632) 10.494 18.642 ( 4.895 -5.250 -1.212) 7.279 19.035 ( 1.569 5.307 0.583) 5.564 19.216 ( 0.685 1.512 -4.046) 4.373 21.301 ( -0.794 4.443 -9.679) 10.679 21.624 ( 7.753 0.083 4.471) 8.950 22.181 ( -11.623 6.105 5.917) 14.400 23.596 ( -7.741 -13.121 14.744) 21.201 24.728 ( 4.339 7.470 -8.342) 12.010 24.951 ( 10.834 4.123 -0.514) 11.604 25.088 ( -7.978 0.932 0.417) 8.043 25.576 ( -0.222 -2.641 -3.078) 4.062 26.445 ( -1.160 -3.516 -3.430) 5.047 26.902 ( 0.530 6.915 0.236) 6.940 28.015 ( -0.097 1.030 1.262) 1.632 28.175 ( 0.163 -0.498 8.393) 8.410 28.495 ( -1.815 -3.654 -10.730) 11.480 29.292 ( 1.505 0.213 3.502) 3.818 ======================= Grid point 209 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -3.078 -1.727 0.898) 3.642 2.862 ( -4.262 8.355 -2.089) 9.609 3.006 ( 3.416 0.119 8.448) 9.113 3.134 ( 1.341 -7.901 2.714) 8.461 3.533 ( -3.126 7.768 -13.775) 16.121 3.710 ( 2.420 3.186 -4.141) 5.758 3.732 ( 2.711 -3.412 3.930) 5.868 4.111 ( 10.541 -3.807 15.655) 19.254 4.345 ( -6.797 -5.685 -3.321) 9.463 4.724 ( 1.964 8.335 1.750) 8.740 4.862 ( -6.094 -5.759 8.076) 11.642 5.217 ( -1.599 11.907 -14.226) 18.621 5.264 ( 5.154 -8.313 -8.563) 13.000 6.018 ( -2.482 -0.789 4.280) 5.011 6.398 ( 1.250 -2.988 -6.148) 6.949 6.886 ( -4.710 22.122 8.336) 24.105 7.037 ( 0.879 -13.458 -2.935) 13.803 7.242 ( -5.208 -3.492 15.842) 17.038 7.312 ( -1.636 -9.895 13.052) 16.460 7.729 ( 10.159 -0.270 -17.249) 20.021 7.842 ( -0.442 8.452 4.577) 9.622 8.442 ( -14.628 11.596 -0.614) 18.677 8.510 ( 4.442 -1.083 0.113) 4.574 8.617 ( 7.948 -8.401 -2.210) 11.774 8.892 ( 1.636 -2.438 -1.445) 3.272 9.437 ( 13.443 8.578 1.720) 16.039 9.510 ( -14.182 -16.003 -3.820) 21.721 9.739 ( -4.815 9.167 3.157) 10.825 10.354 ( -2.985 4.436 2.795) 6.033 10.502 ( 5.557 -6.144 -1.392) 8.400 10.657 ( -3.573 3.899 0.510) 5.313 11.428 ( 4.387 -3.225 -10.990) 12.265 11.799 ( 1.908 -0.002 -2.804) 3.391 12.198 ( 0.291 0.620 -2.558) 2.648 12.968 ( 4.640 -14.785 3.709) 15.934 13.195 ( -3.905 14.847 -2.408) 15.539 13.680 ( -6.484 -1.360 -0.984) 6.698 13.915 ( 6.201 -0.625 4.262) 7.550 14.162 ( -4.016 0.334 2.954) 4.997 14.823 ( 3.803 3.502 -4.517) 6.865 15.340 ( 0.250 1.110 0.226) 1.160 15.821 ( -5.218 -9.672 6.766) 12.905 16.078 ( -18.216 10.347 6.385) 21.901 16.235 ( 20.323 -8.975 -8.307) 23.719 16.562 ( 0.384 0.601 0.231) 0.750 16.670 ( -0.033 3.926 0.787) 4.004 17.402 ( -3.384 4.796 2.273) 6.295 17.404 ( 2.162 -1.988 1.138) 3.150 18.594 ( 0.314 -7.094 -0.836) 7.150 18.701 ( 1.264 0.616 -5.445) 5.624 19.040 ( 2.590 0.259 1.106) 2.828 19.167 ( -1.491 1.627 -2.515) 3.346 21.205 ( -0.555 2.567 -5.167) 5.796 21.710 ( 1.801 4.157 4.871) 6.652 22.085 ( 0.987 -2.887 1.592) 3.441 23.729 ( -5.747 -9.430 12.924) 16.999 24.629 ( 2.084 6.760 -8.264) 10.878 24.991 ( -6.006 -0.182 1.758) 6.261 25.042 ( 7.780 1.175 -1.565) 8.022 25.582 ( -0.572 -0.929 -2.279) 2.527 26.446 ( -1.158 -1.036 -2.010) 2.541 26.853 ( 0.108 1.536 1.103) 1.894 28.010 ( -0.475 0.258 1.416) 1.516 28.223 ( -0.166 0.274 9.195) 9.201 28.447 ( -1.347 -1.181 -10.754) 10.903 29.330 ( 2.692 0.171 0.808) 2.816 ======================= Grid point 210 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -15.574 16.479 4.823) 23.181 2.794 ( -16.309 4.770 5.134) 17.751 3.050 ( 1.401 2.465 -0.146) 2.839 3.127 ( -7.800 -2.730 1.047) 8.330 3.299 ( -3.636 6.335 2.449) 7.704 3.655 ( -3.509 0.239 0.542) 3.558 3.945 ( 12.387 -2.100 -9.602) 15.812 4.208 ( -5.211 7.692 -13.855) 16.681 4.323 ( 12.785 6.469 4.541) 15.030 4.653 ( 0.867 4.986 12.460) 13.449 4.872 ( -2.505 -1.660 7.819) 8.376 5.169 ( 10.976 -1.863 -9.982) 14.953 5.532 ( 12.472 -13.098 -5.244) 18.831 6.019 ( -2.062 -0.267 -0.944) 2.283 6.221 ( -8.617 20.503 4.670) 22.725 6.629 ( 0.638 10.257 4.185) 11.096 7.034 ( -15.839 -1.411 9.504) 18.526 7.267 ( 0.774 -4.938 2.849) 5.753 7.480 ( 5.974 -4.094 3.458) 8.025 7.733 ( 2.244 -0.038 -17.577) 17.720 7.939 ( -19.546 20.207 1.453) 28.151 8.154 ( 10.864 -21.526 6.741) 25.037 8.516 ( 0.151 -1.656 5.269) 5.525 8.738 ( 1.605 -2.515 -2.068) 3.630 9.007 ( 2.668 -6.693 -3.301) 7.925 9.468 ( 5.383 10.863 4.186) 12.826 9.520 ( -8.589 -15.242 -11.497) 20.935 9.623 ( -2.171 2.848 9.082) 9.762 10.291 ( -4.502 -0.923 3.218) 5.610 10.564 ( -3.183 2.267 -0.172) 3.912 10.787 ( 9.575 -14.331 2.688) 17.443 11.489 ( 10.160 0.336 -11.932) 15.676 11.723 ( -1.833 9.527 -2.652) 10.058 12.036 ( -12.695 10.011 -2.708) 16.393 12.855 ( 0.984 3.199 -3.931) 5.163 13.448 ( -1.607 -22.600 3.647) 22.949 13.757 ( 7.361 -6.912 4.297) 10.974 13.967 ( 4.054 1.454 -3.659) 5.651 14.179 ( 2.737 -2.228 7.946) 8.695 14.779 ( -1.306 3.597 -2.999) 4.862 15.343 ( 4.084 3.636 1.155) 5.588 15.689 ( -22.555 7.200 2.210) 23.779 15.882 ( 2.851 0.381 1.244) 3.134 16.471 ( 4.868 7.353 -2.256) 9.103 16.509 ( 4.708 6.470 0.230) 8.005 16.705 ( 2.660 -8.900 -0.183) 9.291 17.243 ( -3.104 7.146 1.842) 8.006 17.603 ( 9.852 -6.322 3.672) 12.268 18.622 ( -2.754 -0.779 -7.591) 8.112 18.657 ( 1.211 2.761 -5.182) 5.995 19.046 ( -1.556 -1.058 -1.251) 2.259 19.157 ( -0.260 -2.075 1.966) 2.870 21.170 ( -0.192 0.276 1.028) 1.082 21.633 ( -4.466 5.174 3.585) 7.718 22.278 ( 12.623 -8.961 -2.383) 15.663 23.785 ( -2.229 -0.734 3.467) 4.186 24.567 ( -1.033 -0.050 0.963) 1.413 24.930 ( -5.898 -1.510 1.016) 6.172 25.128 ( 6.360 -0.994 -2.249) 6.819 25.555 ( -0.994 1.708 -1.581) 2.530 26.414 ( -1.450 1.934 -0.961) 2.601 26.877 ( -0.212 -3.643 2.262) 4.293 28.008 ( -1.018 -0.123 1.800) 2.072 28.257 ( -1.187 0.808 9.085) 9.198 28.387 ( -0.080 0.155 -9.068) 9.070 29.369 ( 4.260 0.586 -2.824) 5.144 ======================= Grid point 211 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -13.604 17.340 13.624) 25.910 2.360 ( -24.056 15.352 6.437) 29.254 2.998 ( -2.091 0.581 -11.099) 11.309 3.068 ( -13.405 -2.807 13.166) 18.998 3.199 ( -4.050 5.910 2.169) 7.485 3.585 ( -3.687 3.184 -0.943) 4.962 3.860 ( 0.836 14.726 -11.433) 18.662 4.020 ( -2.789 4.922 -10.129) 11.602 4.301 ( 6.520 18.397 -0.123) 19.519 4.806 ( 4.693 -4.121 19.592) 20.564 4.959 ( 6.949 1.538 4.174) 8.251 5.301 ( 2.655 -0.773 -4.807) 5.546 5.642 ( 0.029 13.197 -8.151) 15.511 5.828 ( 6.134 -4.783 -2.255) 8.099 6.209 ( 0.914 -5.732 0.743) 5.852 6.538 ( -5.549 13.125 3.153) 14.595 6.809 ( -6.181 6.591 10.633) 13.954 7.364 ( 7.559 3.105 -4.795) 9.475 7.509 ( -12.510 -4.345 4.646) 14.034 7.677 ( 8.925 -10.485 -5.805) 14.943 7.802 ( 2.262 -6.545 -4.499) 8.258 8.344 ( 1.531 2.619 4.205) 5.185 8.735 ( -2.960 -9.934 -0.146) 10.367 8.812 ( 1.173 -14.494 10.132) 17.723 9.096 ( 1.409 -6.424 -1.642) 6.779 9.414 ( -0.423 2.837 5.566) 6.262 9.519 ( -4.487 -8.061 -13.204) 16.108 9.688 ( 5.311 -3.098 6.098) 8.660 10.253 ( -7.691 -3.169 0.469) 8.332 10.496 ( -0.395 5.657 6.267) 8.451 11.051 ( 2.646 -7.851 -3.147) 8.863 11.426 ( -15.350 12.926 -1.624) 20.134 11.589 ( 11.277 3.844 -8.357) 14.553 11.712 ( -0.331 14.101 -3.261) 14.477 12.974 ( 3.276 -11.864 1.084) 12.355 13.653 ( -3.703 -14.883 1.188) 15.382 13.832 ( -2.226 -6.601 -0.425) 6.979 14.102 ( 7.594 0.604 1.483) 7.761 14.442 ( 15.194 -13.129 9.412) 22.177 14.644 ( -5.575 9.143 -0.159) 10.709 15.345 ( -14.517 1.839 -3.869) 15.136 15.367 ( -0.210 -0.983 1.127) 1.510 15.887 ( 8.137 12.069 -1.692) 14.654 16.328 ( -2.166 11.766 6.671) 13.698 16.475 ( 2.558 8.234 -3.653) 9.364 16.846 ( 1.388 -6.053 -1.821) 6.472 17.138 ( -1.021 6.280 1.164) 6.468 17.872 ( 12.873 -6.485 4.216) 15.018 18.428 ( -8.827 8.322 -15.610) 19.770 18.629 ( 2.967 1.646 -5.285) 6.280 19.063 ( -1.900 -4.038 3.137) 5.455 19.192 ( -1.568 -4.127 -0.511) 4.445 21.207 ( 0.071 -2.657 7.467) 7.926 21.532 ( -3.187 3.941 2.234) 5.539 22.583 ( 13.715 -11.640 -5.082) 18.693 23.744 ( 6.216 7.882 -6.917) 12.190 24.608 ( -4.575 -7.031 9.244) 12.483 24.858 ( -9.608 -3.547 -1.158) 10.307 25.221 ( 6.260 -0.970 -1.309) 6.468 25.503 ( -0.784 3.258 0.379) 3.372 26.353 ( -1.147 4.239 1.059) 4.517 26.950 ( -1.886 -6.807 3.465) 7.867 28.001 ( -1.799 0.175 2.966) 3.473 28.245 ( -3.814 -0.340 1.216) 4.017 28.379 ( 4.313 1.190 -0.821) 4.548 29.399 ( 5.018 1.318 -7.039) 8.744 ======================= Grid point 212 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -10.717 16.138 21.698) 29.088 1.908 ( -18.398 16.635 20.133) 31.946 2.824 ( -7.995 1.353 -22.855) 24.251 2.986 ( -7.112 -2.430 -2.560) 7.939 3.068 ( -10.606 4.794 18.881) 22.180 3.430 ( -2.084 13.734 -5.609) 14.980 3.657 ( -4.135 8.089 -1.886) 9.278 3.827 ( -5.120 8.013 -2.688) 9.882 4.040 ( -4.551 24.599 4.287) 25.381 4.772 ( -9.406 16.053 -5.204) 19.320 5.029 ( 1.247 -1.309 23.638) 23.707 5.327 ( 10.728 -2.196 -7.535) 13.292 5.692 ( 7.723 -2.496 -2.108) 8.385 5.859 ( -3.394 3.028 -14.046) 14.764 6.207 ( 0.773 -1.498 2.728) 3.207 6.331 ( 3.423 4.687 -0.676) 5.843 6.962 ( 13.423 -6.806 -1.271) 15.104 7.427 ( 6.714 -0.716 2.403) 7.167 7.503 ( -1.380 -3.058 -0.973) 3.494 7.811 ( -7.905 -10.281 3.510) 13.435 8.101 ( 16.433 -18.761 -4.411) 25.328 8.360 ( 1.364 -0.817 4.796) 5.052 8.777 ( 3.801 0.697 2.796) 4.770 8.962 ( -15.861 -17.770 7.596) 25.002 9.209 ( 4.280 -3.427 1.491) 5.682 9.445 ( -5.144 -5.483 -3.277) 8.201 9.505 ( 6.992 0.386 -2.653) 7.489 9.891 ( 4.542 -7.881 3.898) 9.896 10.166 ( -7.500 -5.057 -4.391) 10.055 10.481 ( 0.077 4.956 10.626) 11.725 10.823 ( -16.524 14.984 -2.507) 22.446 11.217 ( 0.240 2.120 -8.997) 9.246 11.511 ( 5.725 15.946 2.598) 17.140 11.736 ( 7.343 -1.939 -5.557) 9.411 13.137 ( -1.544 -6.649 5.802) 8.959 13.699 ( -7.405 -8.768 -1.475) 11.571 14.027 ( 3.652 -4.910 0.241) 6.124 14.174 ( 5.153 -6.926 4.176) 9.589 14.427 ( -3.744 7.536 -1.473) 8.543 14.900 ( 14.980 -13.400 10.240) 22.557 15.204 ( -16.059 -17.458 -6.864) 24.694 15.398 ( 6.751 4.339 0.274) 8.030 15.757 ( 9.548 24.907 -1.476) 26.715 16.188 ( -5.237 10.799 5.121) 13.049 16.359 ( 2.166 8.871 -3.502) 9.781 16.878 ( -1.884 -1.614 -1.268) 2.786 17.059 ( -0.159 5.663 0.819) 5.724 17.941 ( -15.463 12.830 -19.996) 28.347 18.202 ( 9.834 -3.304 0.328) 10.379 18.635 ( 3.355 0.568 -4.871) 5.942 19.102 ( -3.714 -3.485 6.649) 8.376 19.217 ( -1.214 -4.956 -4.217) 6.620 21.294 ( -2.242 -4.400 8.650) 9.960 21.478 ( 0.659 2.807 1.363) 3.189 22.899 ( 12.252 -13.758 -2.096) 18.541 23.738 ( 18.141 11.078 -10.883) 23.880 24.656 ( -7.942 -3.316 2.932) 9.093 24.754 ( -14.951 -10.393 3.000) 18.454 25.301 ( 5.692 1.638 0.227) 5.928 25.471 ( 0.011 1.807 2.229) 2.869 26.310 ( 2.524 4.863 5.793) 7.974 27.009 ( -6.007 -6.771 3.966) 9.882 27.984 ( -2.387 0.868 4.932) 5.548 28.203 ( -2.679 -2.473 -4.678) 5.931 28.453 ( 7.198 0.963 3.355) 8.000 29.382 ( 2.100 2.623 -11.858) 12.325 ======================= Grid point 213 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -6.951 9.312 30.389) 32.535 1.686 ( -6.691 12.473 33.838) 36.679 2.571 ( -6.676 -1.067 -29.020) 29.797 2.795 ( -7.848 7.533 -21.824) 24.385 3.043 ( -3.421 -1.514 17.282) 17.682 3.202 ( -9.196 11.327 24.330) 28.369 3.465 ( -10.713 3.710 -2.639) 11.640 3.680 ( -2.816 9.172 -0.414) 9.603 3.700 ( -2.234 15.694 5.380) 16.741 4.450 ( -1.574 8.437 -19.855) 21.631 5.149 ( -4.354 -0.339 25.010) 25.389 5.385 ( -4.493 2.293 4.925) 7.050 5.658 ( 7.648 2.696 -10.625) 13.366 5.905 ( 12.794 -2.679 -20.618) 24.412 6.308 ( 2.075 -6.659 0.867) 7.029 6.397 ( 6.679 -1.678 -1.981) 7.166 7.183 ( 4.114 -5.006 -1.485) 6.648 7.418 ( -4.085 1.536 -5.983) 7.405 7.645 ( 23.460 3.221 -8.021) 25.001 7.821 ( -16.951 -10.792 13.116) 23.997 8.373 ( 4.590 0.524 9.349) 10.428 8.661 ( 15.022 -23.337 -4.321) 28.088 8.845 ( 0.318 -4.075 -8.540) 9.468 9.003 ( -14.777 -18.886 9.723) 25.876 9.319 ( 5.017 -2.268 2.532) 6.060 9.452 ( -1.435 -3.966 3.513) 5.489 9.574 ( 9.421 7.362 -2.104) 12.140 9.842 ( -7.780 10.327 -2.109) 13.100 10.246 ( -1.478 -10.896 2.769) 11.339 10.315 ( -8.035 6.999 -2.692) 10.991 10.654 ( 1.610 0.212 8.818) 8.966 11.111 ( 1.452 6.207 -12.672) 14.185 11.450 ( 3.815 8.418 9.418) 13.196 11.788 ( 3.059 0.473 -7.525) 8.137 13.173 ( -3.033 0.765 10.300) 10.765 13.637 ( -11.208 -2.984 -6.968) 13.531 13.999 ( 7.016 7.699 -0.227) 10.419 14.233 ( -3.592 1.325 0.411) 3.851 14.678 ( 10.470 -26.864 5.184) 29.294 15.215 ( -8.342 -17.957 -2.038) 19.905 15.265 ( 5.059 -5.766 4.374) 8.830 15.460 ( 6.614 0.563 -0.423) 6.651 15.567 ( 10.892 20.595 -0.904) 23.315 15.878 ( -10.055 20.726 -2.059) 23.128 16.318 ( 4.304 5.196 1.724) 6.964 16.815 ( -8.741 0.345 -6.024) 10.621 16.999 ( 0.131 3.919 1.242) 4.113 17.314 ( -24.050 14.806 -16.100) 32.509 18.408 ( 9.565 -2.199 2.499) 10.128 18.643 ( 0.986 -0.133 -4.269) 4.383 19.114 ( -5.500 -2.100 8.718) 10.520 19.246 ( 1.587 -3.270 -5.957) 6.978 21.316 ( -3.953 -1.305 5.085) 6.572 21.461 ( -0.350 1.417 -3.095) 3.422 23.328 ( 20.346 -17.054 4.006) 26.849 23.819 ( 16.684 9.863 -8.340) 21.100 24.511 ( -9.567 0.125 -0.659) 9.591 24.720 ( -16.027 -8.960 2.799) 18.574 25.337 ( 3.276 2.770 1.967) 4.720 25.455 ( -0.544 1.856 -0.582) 2.020 26.423 ( 14.431 0.821 10.065) 17.614 26.973 ( -11.309 -3.334 2.222) 11.997 27.973 ( -2.050 0.518 6.674) 7.001 28.187 ( -0.511 -3.115 -7.851) 8.461 28.592 ( 10.338 -0.774 3.871) 11.066 29.221 ( -9.664 5.384 -13.018) 17.083 ======================= Grid point 215 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.145 0.000 -20.971) 21.593 2.197 ( 11.027 0.000 27.962) 30.058 2.233 ( 10.882 0.000 -22.224) 24.745 2.381 ( 10.817 0.000 26.008) 28.168 3.093 ( 2.088 0.000 0.898) 2.272 3.441 ( 4.968 0.000 -1.385) 5.158 3.506 ( 3.668 0.000 17.784) 18.159 3.648 ( 11.340 0.000 -2.695) 11.656 4.133 ( 15.627 0.000 20.642) 25.890 4.303 ( 13.369 0.000 -31.605) 34.316 5.151 ( -5.922 -0.000 21.258) 22.067 5.346 ( 1.060 0.000 7.856) 7.927 5.735 ( 0.274 0.000 -6.827) 6.832 5.782 ( 4.932 0.000 -37.905) 38.225 6.242 ( -8.358 -0.000 -0.424) 8.369 6.399 ( -9.808 -0.000 -4.162) 10.654 6.927 ( -17.304 -0.000 19.911) 26.380 7.106 ( -10.471 -0.000 3.500) 11.040 7.456 ( -4.438 -0.000 1.255) 4.612 8.290 ( 1.843 0.000 -4.961) 5.293 8.361 ( -24.608 -0.000 7.519) 25.731 8.496 ( 8.399 0.000 -9.374) 12.586 8.643 ( -3.644 -0.000 14.760) 15.203 9.170 ( -14.172 -0.000 7.450) 16.011 9.327 ( -7.493 -0.000 -3.304) 8.190 9.532 ( 8.756 0.000 -13.670) 16.234 9.695 ( 11.675 0.000 3.406) 12.162 9.845 ( 18.754 0.000 -2.750) 18.954 10.340 ( 6.530 0.000 -2.889) 7.141 10.493 ( 7.570 0.000 -1.987) 7.827 10.758 ( -5.434 -0.000 13.322) 14.387 10.844 ( -2.784 -0.000 -13.580) 13.862 11.499 ( -6.389 -0.000 -9.699) 11.614 11.604 ( -3.183 -0.000 8.702) 9.266 13.394 ( 5.047 0.000 -5.426) 7.411 13.620 ( 15.672 0.000 14.583) 21.407 13.973 ( -4.121 -0.000 -5.724) 7.053 14.275 ( 4.840 0.000 -4.709) 6.753 14.871 ( -20.231 -0.000 -4.245) 20.671 14.948 ( -14.762 -0.000 4.490) 15.429 15.229 ( -15.318 -0.000 4.799) 16.052 15.297 ( -8.464 -0.000 -6.614) 10.742 15.658 ( 9.603 0.000 6.698) 11.708 15.812 ( 22.803 0.000 -3.492) 23.069 16.441 ( 5.888 0.000 -9.483) 11.162 16.873 ( 8.709 0.000 2.787) 9.144 17.025 ( 5.448 0.000 -0.075) 5.448 17.159 ( 11.586 0.000 18.266) 21.631 18.361 ( -9.551 -0.000 -6.031) 11.296 18.515 ( -6.586 -0.000 4.897) 8.207 19.140 ( 0.673 0.000 7.026) 7.058 19.324 ( 2.870 0.000 -6.958) 7.527 21.424 ( 4.302 0.000 4.844) 6.479 21.473 ( 6.233 0.000 -2.289) 6.640 23.052 ( -26.279 -0.000 2.838) 26.431 23.450 ( -24.233 -0.000 -3.848) 24.537 24.657 ( 10.682 0.000 0.786) 10.711 25.004 ( 13.483 0.000 0.482) 13.492 25.324 ( -2.766 -0.000 -2.331) 3.617 25.411 ( 0.250 0.000 2.445) 2.457 26.441 ( -6.370 -0.000 -9.949) 11.814 27.290 ( 13.603 0.000 -9.854) 16.798 28.035 ( -0.869 -0.000 9.235) 9.276 28.135 ( 2.857 0.000 -7.960) 8.458 28.349 ( -13.482 -0.000 8.416) 15.893 29.153 ( 4.928 0.000 8.352) 9.698 ======================= Grid point 216 (98/141) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 10.863 -5.098 -17.561) 21.269 2.295 ( 11.129 -8.510 -16.607) 21.727 2.576 ( 19.430 2.064 23.855) 30.836 2.722 ( 10.879 -5.355 26.862) 29.472 3.191 ( 7.532 -2.546 3.941) 8.874 3.515 ( 2.369 -4.392 -4.594) 6.783 3.646 ( 3.381 -5.806 1.450) 6.874 3.790 ( 5.167 -0.589 3.754) 6.414 4.308 ( 11.626 0.966 -23.110) 25.888 4.586 ( 16.581 -15.960 14.246) 27.066 5.100 ( -1.611 13.461 16.157) 21.091 5.430 ( -0.798 9.020 -0.282) 9.060 5.608 ( 1.197 0.614 -14.747) 14.808 5.762 ( 2.139 -6.336 -12.082) 13.809 6.197 ( 0.148 -8.591 -4.057) 9.502 6.248 ( -9.648 -8.403 -5.495) 13.925 6.732 ( -17.557 2.260 10.724) 20.697 7.019 ( -12.650 -5.995 8.306) 16.278 7.438 ( -0.378 2.121 6.729) 7.066 7.969 ( -21.605 8.725 6.713) 24.248 8.276 ( 0.938 1.598 -6.788) 7.036 8.491 ( 4.228 10.675 -9.058) 14.625 8.666 ( -0.327 -0.156 8.775) 8.782 9.089 ( -12.922 -8.387 6.856) 16.862 9.210 ( -5.417 0.980 -1.685) 5.757 9.470 ( 1.102 10.181 -11.530) 15.421 9.747 ( 19.882 17.828 0.204) 26.705 10.117 ( 9.592 3.939 -7.069) 12.549 10.347 ( 8.139 7.949 1.659) 11.497 10.645 ( 5.719 -6.969 -7.452) 11.697 10.688 ( -4.506 -4.133 4.972) 7.880 10.959 ( 2.362 -20.522 1.902) 20.745 11.415 ( -3.565 -3.441 -4.895) 6.965 11.577 ( -4.617 1.620 5.840) 7.619 13.422 ( 7.621 6.889 -4.879) 11.373 13.841 ( -4.783 5.579 -1.734) 7.551 13.938 ( 14.949 -0.324 10.305) 18.159 14.222 ( -20.069 18.168 4.551) 27.451 14.418 ( 1.885 -7.353 -10.842) 13.235 14.941 ( -20.725 1.171 0.100) 20.758 15.099 ( -15.177 -20.402 6.037) 26.134 15.143 ( -5.781 -1.717 -7.352) 9.509 15.733 ( 14.429 10.324 4.564) 18.319 16.181 ( 15.652 -8.179 -1.511) 17.725 16.459 ( 6.389 2.282 -9.390) 11.584 16.924 ( 2.510 1.020 -0.630) 2.782 17.068 ( 6.176 4.368 2.183) 7.874 17.629 ( 13.933 -18.687 18.051) 29.481 18.161 ( -10.735 3.507 -5.706) 12.653 18.454 ( -7.539 -2.644 4.969) 9.409 19.175 ( 0.646 1.491 5.613) 5.844 19.300 ( 1.008 1.792 -7.031) 7.326 21.488 ( 2.033 -0.124 -1.133) 2.331 21.539 ( 7.227 2.984 -2.510) 8.212 22.718 ( -18.628 8.554 9.121) 22.436 23.161 ( -21.573 -11.071 0.271) 24.249 24.787 ( 7.081 0.649 2.160) 7.431 25.093 ( 6.642 4.436 -3.726) 8.813 25.250 ( -3.033 3.586 -0.718) 4.751 25.463 ( 0.290 -4.065 -0.555) 4.113 26.358 ( -0.414 -1.665 -7.347) 7.544 27.292 ( 3.241 8.714 -7.634) 12.030 28.079 ( 0.237 0.582 7.675) 7.701 28.124 ( 3.630 2.064 -2.179) 4.710 28.318 ( -4.523 -6.654 2.269) 8.360 29.229 ( -0.039 -1.291 5.346) 5.499 ======================= Grid point 217 (99/141) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 11.690 -6.764 -9.030) 16.246 2.576 ( 16.470 -11.918 -4.233) 20.766 2.895 ( 16.956 4.175 13.685) 22.186 3.114 ( 14.518 -8.537 16.644) 23.679 3.406 ( 9.354 -8.313 8.220) 14.972 3.506 ( -2.793 3.680 -4.090) 6.171 3.750 ( -1.373 -5.495 0.035) 5.664 3.837 ( 0.460 -2.702 1.027) 2.927 4.321 ( 7.921 1.779 -21.260) 22.757 4.986 ( 7.773 14.297 1.683) 16.360 5.023 ( -3.515 -3.982 5.985) 8.002 5.254 ( 2.366 1.296 6.244) 6.802 5.428 ( -5.055 3.601 -5.778) 8.480 5.780 ( -2.803 -2.270 -6.636) 7.553 6.286 ( 1.582 -2.832 -4.528) 5.570 6.400 ( -3.701 -8.989 -0.724) 9.748 6.722 ( -1.390 -23.798 9.334) 25.601 7.027 ( -0.023 -12.222 2.329) 12.442 7.420 ( -4.214 5.408 12.160) 13.960 7.661 ( -10.374 5.497 -0.082) 11.740 8.212 ( 3.146 6.263 -10.810) 12.883 8.344 ( -2.965 0.720 -11.119) 11.530 8.685 ( 0.438 7.105 12.245) 14.164 9.041 ( -9.120 -2.848 4.956) 10.763 9.096 ( -8.023 11.198 0.625) 13.790 9.250 ( -3.141 6.311 -4.258) 8.236 9.798 ( 21.761 21.527 2.954) 30.752 9.993 ( 1.788 8.562 -13.164) 15.805 10.406 ( 3.909 1.529 -2.310) 4.791 10.603 ( -1.409 -1.779 -6.855) 7.221 10.879 ( -1.222 -11.904 6.876) 13.801 11.270 ( -6.451 -5.874 -2.321) 9.028 11.479 ( 11.239 -10.546 3.219) 15.745 11.576 ( 5.209 -7.383 3.314) 9.624 13.222 ( -6.777 22.797 -8.112) 25.129 13.729 ( -3.972 1.547 3.579) 5.566 13.838 ( -7.098 4.452 3.799) 9.200 14.117 ( 7.208 5.571 4.817) 10.305 14.413 ( -15.158 12.398 1.695) 19.656 14.745 ( 0.586 -17.153 -15.854) 23.365 15.038 ( -7.589 -3.273 -1.692) 8.435 15.245 ( -13.906 -23.073 8.506) 28.250 15.870 ( 15.325 4.361 4.245) 16.489 16.418 ( 10.591 1.191 0.831) 10.690 16.470 ( 5.884 -0.440 -9.138) 10.877 16.924 ( 3.769 6.346 -0.020) 7.381 17.127 ( 4.792 -0.181 2.067) 5.222 17.858 ( -9.547 5.422 -1.521) 11.084 18.156 ( 6.602 -15.046 9.951) 19.209 18.442 ( -5.637 -7.585 2.446) 9.762 19.165 ( -0.304 3.933 2.025) 4.434 19.250 ( -0.284 1.250 -4.923) 5.087 21.426 ( -0.881 3.998 -10.502) 11.272 21.619 ( 8.597 0.843 -0.368) 8.646 22.399 ( -15.759 10.186 7.999) 20.398 23.166 ( -12.823 -18.671 13.487) 26.362 24.854 ( 4.054 2.244 0.510) 4.661 25.066 ( -0.340 2.643 -6.289) 6.830 25.157 ( -0.909 5.002 -1.244) 5.234 25.502 ( 0.700 -2.733 -1.862) 3.380 26.378 ( 3.109 -1.563 -2.632) 4.363 27.143 ( -1.051 10.068 -4.188) 10.955 28.080 ( 1.117 3.318 2.119) 4.093 28.177 ( 3.075 0.588 5.975) 6.745 28.361 ( -0.761 -5.826 -4.467) 7.381 29.257 ( -1.768 -2.547 2.411) 3.927 ======================= Grid point 218 (100/141) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 10.596 -8.946 -1.987) 14.009 2.939 ( 12.735 -7.977 5.980) 16.173 3.087 ( 11.199 5.276 3.759) 12.938 3.225 ( -4.601 12.084 -5.197) 13.936 3.492 ( 9.461 -5.897 -0.057) 11.148 3.717 ( -2.850 0.664 5.500) 6.230 3.789 ( 6.738 -13.488 15.524) 21.641 3.948 ( 13.321 0.309 -12.780) 18.463 4.222 ( -3.266 2.160 -5.606) 6.838 4.831 ( -8.687 8.245 6.918) 13.832 4.941 ( 9.504 9.326 -5.387) 14.364 5.205 ( 0.781 0.969 -7.622) 7.723 5.437 ( -6.618 3.959 -1.979) 7.962 5.928 ( 8.604 -13.862 2.325) 16.480 6.224 ( -2.381 -0.595 -2.819) 3.738 6.506 ( -1.259 -15.005 -3.127) 15.379 6.927 ( -8.177 -10.846 22.383) 26.182 7.290 ( -7.796 4.836 10.232) 13.743 7.461 ( 14.896 -10.973 -9.758) 20.917 7.526 ( -3.702 -2.233 -2.979) 5.250 8.181 ( 8.997 -2.059 -9.727) 13.410 8.285 ( -3.712 -4.453 -6.133) 8.439 8.583 ( -7.304 15.845 13.168) 21.858 8.733 ( -4.890 15.343 -2.662) 16.322 8.964 ( -4.909 3.617 3.877) 7.226 9.203 ( -5.754 -6.467 -3.146) 9.210 9.821 ( 14.706 17.488 5.427) 23.485 9.889 ( 3.833 5.650 -10.164) 12.244 10.376 ( -2.764 0.616 -2.517) 3.789 10.602 ( 1.170 0.432 1.717) 2.122 10.885 ( -5.859 15.443 1.151) 16.557 11.179 ( -5.839 -15.126 -5.636) 17.166 11.652 ( 4.464 -7.219 -1.320) 8.590 12.068 ( 20.550 -15.908 4.026) 26.298 12.778 ( -13.099 12.003 -1.613) 17.839 13.636 ( -8.171 -0.693 1.972) 8.434 13.864 ( -10.992 25.882 -3.222) 28.303 13.888 ( 5.309 -1.180 3.203) 6.312 14.170 ( -4.054 0.524 2.729) 4.915 14.880 ( 4.050 -0.031 -12.260) 12.912 15.022 ( -13.203 -21.693 -1.926) 25.468 15.427 ( -6.207 -18.680 12.259) 23.189 16.077 ( 11.539 -2.575 3.451) 12.316 16.398 ( 5.019 13.483 2.098) 14.539 16.598 ( 8.542 -4.235 -7.280) 11.996 16.859 ( 5.492 12.793 -0.259) 13.924 17.232 ( 4.924 -4.646 0.976) 6.840 17.632 ( -6.973 7.281 -2.479) 10.382 18.395 ( -1.705 -7.979 9.594) 12.594 18.543 ( -0.568 -12.287 -1.433) 12.384 19.105 ( -0.111 3.908 -1.306) 4.122 19.202 ( -2.039 1.174 -2.632) 3.530 21.306 ( 0.182 4.636 -9.541) 10.609 21.737 ( 8.127 -1.137 -3.153) 8.791 22.129 ( -11.890 5.727 6.085) 14.532 23.350 ( -9.283 -17.892 20.188) 28.529 24.835 ( 3.341 7.022 -7.225) 10.615 24.975 ( -6.460 -0.270 0.868) 6.524 25.091 ( 0.986 2.099 -6.178) 6.599 25.546 ( 2.085 -1.536 -0.029) 2.590 26.435 ( 4.132 0.132 0.217) 4.140 26.987 ( -1.699 7.833 -2.462) 8.385 28.061 ( 1.230 3.556 1.674) 4.118 28.239 ( 1.757 0.903 8.220) 8.454 28.387 ( 0.503 -3.279 -7.872) 8.542 29.282 ( -1.138 -3.595 0.140) 3.774 ======================= Grid point 219 (101/141) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 4.238 -3.874 2.610) 6.307 2.857 ( -10.203 12.427 -1.131) 16.119 3.095 ( 0.291 -0.126 0.524) 0.612 3.218 ( 7.278 9.913 5.136) 13.328 3.552 ( 0.004 7.030 -3.720) 7.954 3.751 ( -2.626 11.207 -12.683) 17.128 3.801 ( 9.753 -6.754 -0.071) 11.864 4.142 ( 2.563 -12.140 6.568) 14.039 4.387 ( 17.022 0.365 4.714) 17.666 4.762 ( -3.191 -5.609 9.876) 11.797 4.932 ( 9.731 11.241 -6.012) 16.037 5.240 ( -0.874 3.664 -4.430) 5.815 5.267 ( 11.145 -1.334 -9.696) 14.833 6.049 ( -0.194 3.598 6.179) 7.153 6.283 ( -2.704 -9.820 -1.583) 10.308 6.756 ( 0.883 -22.609 -7.010) 23.687 7.038 ( -6.477 -2.480 15.875) 17.324 7.259 ( -4.118 0.860 12.987) 13.651 7.299 ( -5.548 12.265 9.821) 16.663 7.616 ( -2.330 -7.146 -17.629) 19.165 8.010 ( -1.135 16.129 -6.391) 17.386 8.397 ( -9.267 -8.528 -1.544) 12.688 8.520 ( -6.813 13.662 6.275) 16.506 8.603 ( 14.405 -9.986 -3.840) 17.944 8.875 ( -1.788 0.757 1.396) 2.392 9.204 ( -3.742 -7.532 -2.932) 8.907 9.747 ( -6.647 4.272 -2.819) 8.389 9.865 ( 15.282 18.540 8.263) 25.407 10.300 ( -8.866 -0.653 1.050) 8.952 10.557 ( -1.673 10.410 -1.621) 10.667 10.674 ( 3.102 -1.118 0.644) 3.359 11.346 ( 5.314 -12.997 -8.083) 16.201 11.793 ( 4.940 -4.599 -2.853) 7.328 12.208 ( -6.254 9.026 -2.292) 11.217 12.821 ( 6.846 -18.438 4.946) 20.280 13.301 ( -15.285 18.847 -2.568) 24.401 13.646 ( 0.475 -1.095 2.490) 2.761 13.981 ( 3.401 -0.770 -0.486) 3.521 14.150 ( 0.589 0.166 4.007) 4.053 14.795 ( -7.015 -1.834 -8.600) 11.249 15.119 ( -8.639 -14.584 0.092) 16.951 15.656 ( -1.022 -13.860 10.791) 17.595 16.087 ( -8.929 10.116 4.293) 14.160 16.435 ( 17.514 1.740 -1.630) 17.675 16.708 ( 8.242 1.233 -3.663) 9.103 16.772 ( 7.196 13.287 -1.942) 15.235 17.404 ( 7.537 -7.437 0.558) 10.604 17.466 ( -0.931 7.846 -0.851) 7.946 18.494 ( -3.765 -7.760 5.410) 10.181 18.625 ( -2.820 -5.496 -2.991) 6.863 19.051 ( -2.311 1.337 -4.083) 4.878 19.146 ( -1.613 0.892 0.035) 1.844 21.224 ( 1.253 3.586 -4.898) 6.199 21.753 ( -2.541 3.051 -4.445) 5.960 22.080 ( 3.902 -4.930 2.612) 6.808 23.543 ( -9.352 -15.053 20.252) 26.911 24.710 ( 1.517 8.553 -9.726) 13.040 24.899 ( -7.158 -0.750 0.620) 7.224 25.085 ( 2.298 -2.181 -4.190) 5.253 25.585 ( 1.983 0.507 0.549) 2.119 26.482 ( 4.080 2.601 1.539) 5.077 26.878 ( -1.477 3.834 -1.285) 4.305 28.043 ( 1.009 2.997 1.610) 3.548 28.284 ( -0.554 0.901 8.559) 8.624 28.384 ( 2.055 -0.400 -7.100) 7.402 29.319 ( 0.260 -4.104 -3.006) 5.093 ======================= Grid point 220 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -6.081 19.125 6.079) 20.969 2.695 ( -11.666 7.845 -1.041) 14.097 3.080 ( -3.968 2.768 5.158) 7.072 3.089 ( -1.059 8.802 -1.859) 9.058 3.393 ( 0.708 10.786 -5.436) 12.100 3.630 ( -3.587 1.284 4.741) 6.083 3.984 ( 7.401 -4.867 -11.665) 14.647 4.221 ( 0.872 6.137 -8.573) 10.579 4.588 ( 15.456 3.086 1.910) 15.876 4.887 ( 7.976 9.782 9.504) 15.800 4.924 ( 9.705 -2.401 6.359) 11.849 5.267 ( 11.599 0.481 -9.280) 14.863 5.533 ( 13.178 -11.361 -0.681) 17.413 6.021 ( 0.039 2.263 3.432) 4.111 6.296 ( -5.651 3.590 -2.487) 7.142 6.738 ( -20.803 6.252 5.798) 22.482 6.888 ( -1.068 9.628 8.201) 12.692 7.205 ( -3.915 -8.449 12.597) 15.665 7.432 ( 0.929 -6.947 -3.892) 8.017 7.584 ( -0.581 -10.140 -11.858) 15.613 7.930 ( -4.557 2.381 -6.144) 8.012 8.111 ( -10.333 15.249 2.301) 18.564 8.390 ( -7.800 -11.495 1.061) 13.932 8.779 ( 2.975 -2.408 -0.267) 3.837 8.950 ( 1.489 -3.522 4.450) 5.867 9.284 ( 4.982 -7.025 -9.625) 12.916 9.580 ( -9.312 4.174 8.305) 13.157 9.874 ( 12.313 15.155 6.350) 20.532 10.178 ( -10.800 -2.355 2.221) 11.275 10.529 ( 2.992 -3.066 -3.210) 5.353 10.809 ( 7.790 -5.049 2.102) 9.518 11.544 ( 10.401 -5.688 -7.035) 13.785 11.757 ( -8.101 10.363 -5.032) 14.083 12.012 ( -2.096 3.746 -1.596) 4.580 12.881 ( -4.481 6.561 -1.731) 8.132 13.209 ( 1.029 -15.126 2.389) 15.348 13.681 ( -5.636 -6.731 -4.009) 9.651 14.124 ( 14.910 -2.593 10.008) 18.144 14.209 ( 2.262 -2.388 2.544) 4.158 14.674 ( -9.841 -5.583 -8.978) 14.444 15.102 ( -16.653 -5.603 4.632) 18.171 15.744 ( -3.937 8.761 4.486) 10.601 15.941 ( 4.155 -1.271 5.036) 6.651 16.612 ( 4.557 0.216 -4.042) 6.095 16.707 ( 11.357 11.049 -4.681) 16.522 16.768 ( 8.688 5.955 3.111) 10.983 17.342 ( 1.006 8.903 -1.263) 9.048 17.678 ( 13.245 -8.747 1.662) 15.960 18.508 ( -7.157 -2.074 -2.150) 7.756 18.614 ( -2.791 -3.125 -3.624) 5.539 18.965 ( -5.072 -1.995 -3.875) 6.687 19.134 ( -1.790 -0.439 1.704) 2.510 21.199 ( 1.600 1.790 0.944) 2.580 21.636 ( -3.268 3.502 -3.059) 5.684 22.292 ( 9.843 -10.265 -2.291) 14.405 23.677 ( -9.161 -11.736 14.105) 20.508 24.592 ( 0.879 5.557 -5.244) 7.691 24.795 ( -8.745 -1.194 -2.575) 9.194 25.159 ( 4.593 -3.438 -0.558) 5.764 25.588 ( 1.105 2.659 0.319) 2.897 26.492 ( 3.460 5.599 2.443) 7.021 26.837 ( -1.460 -1.077 -0.174) 1.822 28.029 ( 0.659 2.386 1.674) 2.988 28.265 ( -3.887 1.205 2.089) 4.574 28.414 ( 5.087 1.294 1.937) 5.595 29.357 ( 1.313 -4.081 -7.502) 8.640 ======================= Grid point 221 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -3.339 21.628 11.298) 24.629 2.332 ( -14.930 16.049 10.125) 24.145 2.934 ( -3.982 6.194 -11.407) 13.577 2.982 ( -6.019 3.038 0.926) 6.805 3.249 ( -3.304 8.684 3.228) 9.836 3.615 ( 2.194 2.871 2.490) 4.388 3.980 ( 0.035 3.333 -13.206) 13.620 4.021 ( 0.135 14.491 -10.666) 17.994 4.657 ( 9.409 17.451 0.941) 19.848 5.004 ( 11.071 3.698 17.159) 20.753 5.171 ( 13.133 3.102 6.559) 15.004 5.353 ( 7.321 2.327 -7.155) 10.498 5.737 ( 5.924 3.062 -6.113) 9.047 5.895 ( -4.861 13.946 -0.154) 14.770 6.127 ( -2.622 -5.374 0.128) 5.981 6.505 ( -17.910 1.099 7.695) 19.524 6.885 ( 5.072 1.241 7.817) 9.400 7.246 ( -13.831 -7.571 8.814) 18.064 7.480 ( 4.304 5.301 -12.263) 14.036 7.590 ( -0.164 -7.353 -4.693) 8.724 7.725 ( 3.078 -7.917 -5.789) 10.279 8.121 ( -9.758 -17.823 -4.132) 20.735 8.522 ( -3.546 -13.481 7.421) 15.792 8.790 ( -5.831 -1.881 -0.123) 6.128 9.050 ( 4.202 -4.487 4.600) 7.678 9.374 ( 6.641 -1.568 -8.191) 10.660 9.492 ( -5.904 0.126 10.352) 11.918 9.919 ( 12.461 9.148 6.310) 16.697 10.089 ( -7.461 -3.306 -0.984) 8.220 10.597 ( 4.125 1.840 3.186) 5.527 10.981 ( 2.775 -6.284 -2.889) 7.452 11.343 ( -18.213 13.990 -0.480) 22.971 11.711 ( 10.677 -0.337 -5.736) 12.125 11.919 ( 4.348 12.817 -5.324) 14.544 12.910 ( 4.553 -8.268 1.487) 9.555 13.399 ( -3.075 -14.396 -0.765) 14.741 13.682 ( -3.318 -10.992 -0.666) 11.501 14.249 ( 5.360 3.437 0.262) 6.373 14.515 ( 4.064 -15.207 10.337) 18.831 14.601 ( 1.816 -3.721 -6.499) 7.706 14.849 ( -24.110 -0.077 6.340) 24.930 15.613 ( 1.817 8.678 -1.243) 8.952 16.073 ( 6.380 0.865 5.344) 8.368 16.520 ( 0.433 11.867 -1.114) 11.927 16.696 ( 11.610 14.080 -5.741) 19.131 16.851 ( 4.577 1.367 4.317) 6.438 17.241 ( 1.713 8.246 -2.325) 8.737 17.987 ( 12.919 -6.698 1.152) 14.598 18.285 ( -13.102 6.522 -12.640) 19.338 18.609 ( -0.909 -3.037 -3.732) 4.896 18.963 ( -3.045 -6.957 0.386) 7.604 19.112 ( -4.193 -1.728 1.293) 4.716 21.230 ( 1.139 -0.340 5.947) 6.064 21.557 ( -0.014 2.783 -3.312) 4.326 22.570 ( 10.697 -11.972 -0.819) 16.076 23.751 ( -6.183 -10.473 2.041) 12.332 24.538 ( -1.405 0.856 0.276) 1.668 24.664 ( -9.178 -0.292 -2.646) 9.556 25.284 ( 6.409 -2.968 1.738) 7.273 25.556 ( 0.178 3.852 0.638) 3.909 26.471 ( 3.536 7.024 4.241) 8.935 26.849 ( -2.784 -4.405 0.355) 5.223 28.016 ( 0.146 2.060 2.171) 2.996 28.192 ( -4.451 1.231 0.227) 4.623 28.498 ( 6.403 1.775 6.614) 9.375 29.371 ( 0.983 -3.278 -13.267) 13.701 ======================= Grid point 222 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -6.687 19.589 17.752) 27.269 2.092 ( -5.276 16.327 27.181) 32.144 2.668 ( -6.434 7.733 -20.548) 22.879 2.887 ( -0.556 1.219 -15.186) 15.245 3.151 ( -2.921 7.632 18.811) 20.509 3.582 ( 1.515 10.951 1.705) 11.186 3.733 ( -2.168 17.894 -14.206) 22.950 3.830 ( -2.854 5.825 -4.848) 8.098 4.437 ( 2.599 31.277 6.158) 31.983 4.923 ( -7.424 25.496 -6.904) 27.438 5.181 ( 5.263 5.434 22.796) 24.019 5.468 ( 8.231 3.181 0.614) 8.846 5.748 ( 0.598 1.518 0.448) 1.692 5.814 ( 6.826 -1.042 -12.586) 14.355 6.130 ( -4.830 -6.414 0.611) 8.052 6.304 ( -5.750 -2.113 -7.477) 9.666 7.057 ( 9.763 -4.168 2.127) 10.826 7.312 ( -9.793 -17.907 15.453) 25.600 7.410 ( -0.509 -1.988 -2.405) 3.162 7.774 ( 3.049 -0.857 -7.564) 8.200 7.947 ( 13.267 -25.997 -8.559) 30.416 8.232 ( -7.049 -19.149 -0.767) 20.420 8.578 ( -13.932 -4.596 11.283) 18.508 8.731 ( -2.360 -4.146 -4.262) 6.397 9.212 ( 3.113 -7.658 3.331) 8.913 9.400 ( 0.139 -0.633 -1.741) 1.858 9.570 ( 4.490 -5.419 7.136) 10.022 9.995 ( -2.406 -4.239 -10.137) 11.248 10.087 ( 13.535 8.977 10.238) 19.199 10.588 ( -5.361 9.147 7.283) 12.863 10.821 ( -7.313 11.743 0.835) 13.859 11.140 ( -2.291 -3.481 -8.426) 9.400 11.769 ( 2.930 12.883 -1.565) 13.304 11.801 ( 6.081 1.972 -4.804) 7.997 13.110 ( 4.885 -6.970 4.519) 9.637 13.456 ( -6.051 -9.036 -5.421) 12.151 13.957 ( 7.381 -21.070 7.820) 23.655 14.263 ( 4.718 5.248 0.106) 7.058 14.428 ( -12.075 9.932 2.139) 15.781 14.612 ( -15.810 -23.707 -8.054) 29.612 14.999 ( 12.765 -10.385 11.774) 20.234 15.525 ( -1.512 4.113 -3.221) 5.439 16.109 ( 5.200 11.079 4.283) 12.967 16.333 ( -1.762 15.808 -0.029) 15.906 16.627 ( 12.654 17.256 -4.097) 21.787 16.866 ( -0.911 3.312 0.668) 3.499 17.158 ( 2.476 7.534 -0.732) 7.964 17.747 ( -20.647 15.039 -19.418) 32.087 18.316 ( 11.947 -4.593 2.512) 13.043 18.613 ( -1.942 -2.897 -3.650) 5.048 19.022 ( -2.946 -4.881 4.184) 7.071 19.105 ( -1.874 -6.038 -2.056) 6.648 21.282 ( -0.117 -0.776 6.985) 7.029 21.514 ( 0.611 2.175 -5.027) 5.511 22.919 ( 14.017 -13.823 9.096) 21.686 23.793 ( -7.543 -12.984 -11.128) 18.689 24.504 ( -3.357 0.277 0.425) 3.395 24.554 ( -5.015 -0.186 1.906) 5.369 25.410 ( 6.637 -0.126 1.093) 6.727 25.508 ( -1.157 3.348 1.624) 3.897 26.489 ( 7.159 4.447 7.216) 11.095 26.852 ( -6.157 -4.697 -0.445) 7.757 28.002 ( -0.511 1.929 3.632) 4.144 28.126 ( -3.603 -0.395 -0.726) 3.697 28.613 ( 6.970 1.684 9.986) 12.294 29.306 ( -2.172 -0.117 -19.304) 19.426 ======================= Grid point 223 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.758 13.911 28.336) 31.576 2.020 ( -1.311 13.085 35.148) 37.528 2.398 ( -1.125 5.660 -26.664) 27.281 2.709 ( -2.064 9.166 -24.372) 26.120 3.163 ( 1.167 4.748 15.990) 16.721 3.396 ( -5.757 10.534 1.622) 12.114 3.437 ( 1.143 18.215 7.539) 19.747 3.731 ( 0.830 5.165 -6.801) 8.580 4.078 ( 1.971 30.931 11.567) 33.082 4.518 ( 2.401 17.382 -21.776) 27.966 5.232 ( -6.299 5.165 23.018) 24.417 5.385 ( -7.790 5.035 10.382) 13.922 5.728 ( 4.790 0.775 -8.406) 9.706 5.941 ( 12.885 -0.689 -23.805) 27.078 6.194 ( -2.435 -10.377 2.643) 10.982 6.346 ( 3.539 -9.933 -7.807) 13.120 7.189 ( -1.088 -0.103 5.640) 5.745 7.297 ( -9.174 -3.360 -2.894) 10.189 7.571 ( -6.902 -9.612 14.676) 18.852 7.874 ( 14.839 -6.861 -11.923) 20.234 8.339 ( -13.315 -25.562 5.754) 29.390 8.415 ( 1.477 -14.664 3.920) 15.251 8.554 ( -5.884 -11.090 5.370) 13.654 8.771 ( 9.044 -7.108 -9.846) 15.142 9.356 ( 3.581 -5.243 2.944) 6.999 9.423 ( -0.611 -3.660 -1.827) 4.137 9.769 ( 7.786 -5.179 2.884) 9.786 9.865 ( -6.065 8.292 -4.851) 11.361 10.182 ( -6.069 8.025 9.542) 13.867 10.323 ( 4.320 5.595 -3.197) 7.758 10.796 ( 5.262 4.462 8.780) 11.167 11.067 ( -2.684 0.614 -13.270) 13.553 11.648 ( 0.224 9.347 5.152) 10.675 11.794 ( 0.539 2.720 -7.249) 7.761 13.250 ( 3.084 -0.672 9.442) 9.955 13.436 ( -3.927 -4.386 -6.770) 8.972 14.140 ( -11.597 2.548 4.691) 12.767 14.253 ( 12.832 8.622 -5.008) 16.250 14.497 ( 4.824 -27.389 9.450) 29.373 14.713 ( -6.086 -22.421 -9.155) 24.971 15.313 ( 4.703 -8.863 8.942) 13.440 15.444 ( -4.995 -2.834 -3.701) 6.832 15.968 ( -2.164 19.911 5.024) 20.649 16.046 ( -0.139 23.283 -1.687) 23.345 16.583 ( 5.388 11.047 -0.170) 12.292 16.706 ( -2.291 11.282 -10.798) 15.784 17.114 ( 4.305 8.303 3.009) 9.825 17.207 ( -10.439 14.632 -7.207) 19.365 18.501 ( 5.343 -2.210 2.585) 6.333 18.580 ( -4.637 -2.466 -4.188) 6.717 19.049 ( -3.801 -3.389 7.336) 8.930 19.192 ( 3.925 -6.249 -5.222) 9.040 21.315 ( -0.100 0.516 6.150) 6.172 21.454 ( -0.021 2.260 -6.088) 6.494 23.401 ( 13.625 -16.436 15.032) 26.110 23.701 ( -20.258 -12.351 -13.083) 27.094 24.506 ( -4.465 -1.015 1.130) 4.716 24.525 ( 8.936 0.747 -0.853) 9.008 25.443 ( -0.247 4.401 1.230) 4.576 25.467 ( 1.622 2.442 -0.827) 3.046 26.675 ( 15.444 -3.459 6.397) 17.070 26.777 ( -9.734 -2.291 -3.210) 10.502 27.995 ( -0.942 1.279 5.793) 6.007 28.101 ( -1.820 -2.788 -2.488) 4.156 28.737 ( 1.933 0.551 13.511) 13.659 29.101 ( -4.335 7.011 -19.572) 21.237 ======================= Grid point 226 (106/141) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 17.719 0.000 -5.426) 18.531 2.348 ( 14.987 0.000 -10.230) 18.146 2.970 ( 17.766 0.000 14.949) 23.219 2.975 ( 12.855 0.000 21.056) 24.670 3.340 ( 10.323 0.000 8.181) 13.172 3.482 ( 1.269 0.000 -6.102) 6.232 3.653 ( 2.875 0.000 0.731) 2.967 3.816 ( -4.169 -0.000 4.306) 5.994 4.377 ( 16.823 0.000 -29.263) 33.754 4.774 ( 11.582 0.000 16.644) 20.277 5.339 ( -3.759 -0.000 22.518) 22.829 5.513 ( 3.507 0.000 -33.557) 33.740 5.651 ( 15.221 0.000 1.686) 15.314 5.676 ( 2.268 0.000 -0.348) 2.294 5.985 ( -8.110 -0.000 -7.309) 10.917 6.069 ( 0.665 0.000 -4.171) 4.224 6.598 ( -14.960 -0.000 15.449) 21.506 6.823 ( -10.815 -0.000 -0.004) 10.815 7.472 ( -1.413 -0.000 5.670) 5.844 7.730 ( -22.522 -0.000 8.900) 24.216 8.241 ( -0.753 -0.000 -9.177) 9.208 8.453 ( -11.970 -0.000 -7.139) 13.937 8.752 ( 10.180 0.000 -4.570) 11.159 8.975 ( -7.245 -0.000 15.306) 16.934 9.163 ( -1.532 -0.000 1.136) 1.908 9.510 ( 2.947 0.000 -15.424) 15.703 10.060 ( 9.542 0.000 1.858) 9.722 10.337 ( 15.840 0.000 -12.348) 20.084 10.504 ( -14.323 -0.000 -0.607) 14.336 10.540 ( -3.463 -0.000 -12.356) 12.832 10.663 ( 8.696 0.000 16.303) 18.477 10.816 ( 9.994 0.000 4.883) 11.123 11.411 ( 6.376 0.000 1.373) 6.522 11.553 ( -4.391 -0.000 3.356) 5.527 13.581 ( 9.084 0.000 0.003) 9.084 13.818 ( -5.535 -0.000 -0.111) 5.537 14.100 ( -7.997 -0.000 -5.547) 9.732 14.137 ( -11.076 -0.000 -10.900) 15.540 14.285 ( -7.075 -0.000 14.380) 16.026 14.558 ( -11.997 -0.000 4.362) 12.766 14.880 ( -8.865 -0.000 4.551) 9.965 15.017 ( -4.587 -0.000 -13.250) 14.021 15.945 ( 5.335 0.000 8.356) 9.914 16.343 ( 12.801 0.000 -8.125) 15.162 16.599 ( 17.949 0.000 -6.701) 19.159 16.925 ( 1.115 0.000 -3.057) 3.254 17.275 ( 11.901 0.000 -1.571) 12.004 17.763 ( 9.323 0.000 23.214) 25.016 18.005 ( -10.471 -0.000 -5.859) 11.999 18.327 ( -11.183 -0.000 5.511) 12.467 19.218 ( -0.335 -0.000 5.854) 5.863 19.270 ( -1.182 -0.000 -7.498) 7.591 21.470 ( -0.498 -0.000 -8.542) 8.556 21.656 ( 7.564 0.000 -2.274) 7.898 22.702 ( -23.263 -0.000 -7.807) 24.538 22.728 ( -7.369 -0.000 26.645) 27.645 24.877 ( 2.628 0.000 4.061) 4.838 25.097 ( -1.477 -0.000 -5.481) 5.676 25.243 ( -2.449 -0.000 -7.751) 8.128 25.458 ( 2.332 0.000 1.260) 2.651 26.360 ( 4.995 0.000 -1.669) 5.267 27.301 ( -3.069 -0.000 -7.804) 8.386 28.142 ( 0.540 0.000 9.293) 9.309 28.164 ( 5.045 0.000 -7.839) 9.322 28.287 ( 1.117 0.000 6.776) 6.867 29.209 ( -3.266 -0.000 1.300) 3.515 ======================= Grid point 227 (107/141) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 14.306 3.018 0.341) 14.625 2.647 ( 16.526 -12.551 0.296) 20.754 3.206 ( 13.211 2.004 0.291) 13.366 3.296 ( 13.281 -4.863 12.170) 18.659 3.416 ( -6.422 0.708 -2.815) 7.048 3.534 ( 6.960 -2.210 10.274) 12.605 3.739 ( 1.541 1.267 6.159) 6.474 3.825 ( 7.884 -5.734 2.257) 10.007 4.432 ( 15.355 7.470 -24.858) 30.158 4.961 ( -1.609 -3.264 4.183) 5.544 5.229 ( -14.731 7.824 3.505) 17.044 5.406 ( 13.438 8.535 -8.165) 17.891 5.534 ( 12.672 9.354 -3.196) 16.072 5.723 ( -3.291 13.486 0.312) 13.886 6.090 ( 0.319 -18.787 -3.145) 19.051 6.411 ( 6.627 1.184 -0.010) 6.732 6.451 ( -3.855 -18.099 12.085) 22.102 6.844 ( 2.437 -19.181 -1.731) 19.413 7.443 ( -8.855 3.212 10.622) 14.197 7.513 ( -11.530 -2.174 3.870) 12.354 8.159 ( -2.846 0.062 -8.859) 9.305 8.250 ( -6.682 0.931 -14.071) 15.605 8.829 ( 2.674 2.198 3.601) 4.995 8.941 ( -6.848 1.179 11.016) 13.025 9.156 ( 1.764 5.486 1.240) 5.894 9.366 ( -0.913 13.903 -7.841) 15.988 9.999 ( -5.381 9.708 -11.667) 16.103 10.337 ( 5.561 3.770 -7.262) 9.893 10.450 ( 3.757 1.549 4.704) 6.216 10.509 ( -0.067 -8.871 -10.622) 13.840 10.676 ( -0.354 6.540 13.757) 15.236 11.233 ( 9.028 -8.605 2.647) 12.749 11.478 ( -0.145 -1.985 0.106) 1.993 11.642 ( 14.868 -9.721 7.430) 19.255 13.371 ( -17.542 29.466 -3.717) 34.493 13.683 ( -8.458 4.766 1.194) 9.781 13.801 ( -1.506 -4.893 4.939) 7.114 14.145 ( -17.019 -11.993 -4.740) 21.353 14.367 ( -1.366 -14.404 1.374) 14.534 14.402 ( -7.122 10.595 -0.035) 12.766 14.889 ( -2.087 -2.290 -14.203) 14.537 14.972 ( 1.918 -11.241 9.272) 14.697 16.057 ( 4.937 0.042 9.111) 10.363 16.456 ( 8.980 -3.551 -10.513) 14.275 16.769 ( 17.035 11.528 -2.630) 20.737 16.956 ( 3.942 -3.174 -5.400) 7.401 17.360 ( 11.484 10.096 2.764) 15.538 17.788 ( -8.199 5.731 -3.768) 10.689 18.107 ( 5.353 -14.937 15.081) 21.890 18.231 ( -12.242 -7.120 4.689) 14.918 19.190 ( -2.272 1.957 -5.666) 6.411 19.231 ( -1.408 0.833 2.772) 3.219 21.399 ( -0.128 1.862 -10.451) 10.617 21.733 ( 7.256 0.876 -4.568) 8.619 22.307 ( -17.677 6.736 -1.653) 18.989 22.910 ( -6.244 -13.327 27.093) 30.833 24.909 ( -0.646 0.022 3.913) 3.966 25.027 ( -2.314 2.662 -5.067) 6.174 25.130 ( -4.166 0.809 -11.616) 12.367 25.512 ( 3.660 -0.854 0.611) 3.807 26.447 ( 6.496 0.475 2.628) 7.024 27.172 ( -4.449 4.725 -5.930) 8.791 28.156 ( 1.461 3.082 3.659) 5.002 28.232 ( 3.251 -2.596 -1.142) 4.314 28.345 ( 3.522 1.286 3.644) 5.229 29.177 ( -3.615 -3.338 -1.798) 5.239 ======================= Grid point 228 (108/141) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 10.247 -1.781 2.075) 10.605 2.976 ( 3.097 -6.754 5.373) 9.169 3.201 ( -7.293 4.951 -3.361) 9.434 3.373 ( 9.638 -4.395 -1.516) 10.701 3.504 ( 9.595 1.949 -0.560) 9.807 3.745 ( -0.000 0.982 10.861) 10.905 3.846 ( 12.866 -7.517 6.382) 16.210 4.112 ( 17.668 -2.157 -8.810) 19.860 4.299 ( 3.704 11.870 -5.533) 13.610 4.875 ( -8.160 8.710 13.981) 18.382 5.042 ( 6.634 -0.968 -20.897) 21.946 5.433 ( 3.755 11.283 -4.375) 12.671 5.491 ( 10.526 19.916 3.815) 22.848 5.790 ( 6.275 -21.550 -2.871) 22.627 6.216 ( -7.190 -4.544 -0.389) 8.514 6.301 ( 1.034 -1.097 1.317) 2.002 6.778 ( -3.264 -14.763 19.867) 24.966 7.261 ( 0.348 -11.403 1.168) 11.468 7.335 ( 0.765 -4.379 -1.123) 4.585 7.478 ( -3.532 -7.062 0.055) 7.896 8.071 ( -5.556 0.153 -13.422) 14.528 8.180 ( 4.505 -9.760 -4.699) 11.732 8.771 ( -6.061 12.140 11.013) 17.475 8.859 ( -3.863 10.565 -2.997) 11.641 9.001 ( -3.743 10.312 10.671) 15.304 9.168 ( 1.434 8.304 -8.409) 11.904 9.781 ( -5.303 0.849 -12.674) 13.765 10.249 ( -5.229 1.399 -7.046) 8.886 10.472 ( 7.039 20.084 12.430) 24.646 10.590 ( 8.579 -2.025 -3.797) 9.598 10.816 ( -1.520 -22.169 3.042) 22.428 11.077 ( -6.304 20.067 -0.309) 21.036 11.648 ( 8.164 -6.840 -1.906) 10.820 12.168 ( 20.511 -18.233 6.211) 28.137 12.755 ( -18.442 19.357 -0.489) 26.740 13.511 ( -12.615 1.893 3.460) 13.217 13.772 ( -19.182 -0.425 -5.098) 19.852 14.008 ( 2.142 2.368 6.278) 7.043 14.217 ( -1.540 7.106 -2.433) 7.667 14.530 ( -11.948 -19.047 0.801) 22.499 14.846 ( 5.318 -2.769 -14.350) 15.552 15.254 ( 4.099 -14.856 10.472) 18.632 16.163 ( 2.212 0.177 8.449) 8.736 16.571 ( 7.036 -1.836 -8.225) 10.978 16.774 ( 10.840 10.810 -3.325) 15.666 17.021 ( 6.855 1.001 -7.243) 10.022 17.402 ( 10.642 11.033 7.835) 17.215 17.618 ( -1.460 4.438 -5.531) 7.240 18.221 ( -11.250 -12.788 3.811) 17.453 18.403 ( 1.496 -11.305 11.213) 15.993 19.094 ( -3.467 1.599 -6.373) 7.429 19.196 ( -1.635 2.577 1.307) 3.320 21.325 ( 1.659 3.416 -8.107) 8.953 21.774 ( 3.226 -0.070 -11.183) 11.639 22.059 ( -8.375 2.061 4.914) 9.927 23.134 ( -8.317 -14.726 25.436) 30.545 24.891 ( -6.045 0.036 2.548) 6.560 24.914 ( 0.819 6.284 -10.405) 12.183 25.030 ( -2.199 -1.765 -5.715) 6.373 25.579 ( 3.502 -0.806 0.417) 3.618 26.539 ( 5.932 1.803 4.033) 7.396 27.020 ( -3.496 5.520 -4.398) 7.876 28.147 ( 1.375 4.301 3.606) 5.779 28.286 ( 1.315 -1.148 -0.255) 1.765 28.391 ( 4.447 1.893 1.488) 5.057 29.181 ( -2.619 -5.951 -3.519) 7.393 ======================= Grid point 229 (109/141) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 3.744 -2.959 -0.144) 4.775 2.856 ( -11.341 7.180 3.600) 13.897 3.163 ( 5.197 3.870 -1.468) 6.644 3.492 ( 5.016 15.626 3.463) 16.773 3.590 ( 1.594 -7.093 -1.418) 7.407 3.747 ( -4.570 8.911 -2.253) 10.265 3.870 ( 6.931 5.301 -10.393) 13.571 4.161 ( 9.483 -2.300 -0.265) 9.762 4.602 ( 12.241 -12.315 13.130) 21.769 4.851 ( 12.333 7.489 6.038) 15.641 5.049 ( 4.133 -1.049 -14.555) 15.166 5.294 ( 5.251 3.579 -3.921) 7.467 5.550 ( 20.528 14.231 -0.522) 24.984 6.036 ( -6.992 -12.895 5.541) 15.681 6.165 ( -0.276 2.629 2.379) 3.557 6.425 ( -0.775 -18.480 -6.916) 19.747 6.967 ( -6.247 -6.741 20.611) 22.568 7.272 ( -5.663 -2.270 -1.382) 6.256 7.337 ( -0.565 -2.089 7.329) 7.642 7.495 ( -2.577 4.061 -8.544) 9.804 7.955 ( -8.887 -6.826 -9.464) 14.668 8.309 ( -4.588 18.710 -4.228) 19.723 8.541 ( 2.632 -4.752 4.789) 7.242 8.753 ( 2.967 4.584 2.366) 5.951 8.907 ( -4.013 9.363 5.862) 11.753 9.100 ( 0.925 -4.482 -6.412) 7.877 9.653 ( -6.255 0.514 -6.364) 8.939 10.111 ( -10.883 -1.912 -3.666) 11.642 10.352 ( 3.123 17.766 11.176) 21.219 10.656 ( -1.648 13.901 -1.887) 14.124 10.746 ( 5.799 0.392 -2.904) 6.498 11.204 ( 11.304 -18.273 2.811) 21.670 11.812 ( 7.586 -3.317 -5.025) 9.685 12.229 ( -10.807 14.370 -0.759) 17.996 12.763 ( 11.663 -15.542 3.365) 19.721 13.244 ( -17.738 8.887 3.027) 20.069 13.512 ( -12.434 -4.764 -5.618) 14.452 14.044 ( -3.794 0.747 3.521) 5.229 14.194 ( 5.059 -3.720 2.127) 6.630 14.516 ( -9.074 -5.619 -1.769) 10.819 14.937 ( 1.907 -6.440 -4.436) 8.049 15.558 ( 5.150 -13.814 8.600) 17.068 16.133 ( -4.233 8.522 4.502) 10.526 16.574 ( 0.242 0.121 -2.807) 2.820 16.851 ( 12.533 2.896 -4.750) 13.712 17.055 ( 10.832 6.266 -5.884) 13.828 17.468 ( 6.526 2.476 1.177) 7.078 17.588 ( 9.798 5.598 -0.729) 11.308 18.264 ( -11.269 -14.832 1.965) 18.731 18.548 ( -1.675 -3.680 9.707) 10.516 18.973 ( -6.411 1.841 -6.457) 9.283 19.151 ( -0.665 1.655 -0.855) 1.978 21.277 ( 2.666 3.664 -4.042) 6.073 21.691 ( -3.338 0.824 -10.401) 10.954 22.095 ( 4.830 -4.593 3.947) 7.746 23.303 ( -12.559 -15.068 20.012) 28.023 24.770 ( -2.778 5.828 -3.544) 7.365 24.796 ( -3.711 1.805 -8.428) 9.384 25.064 ( 2.442 -3.498 1.471) 4.512 25.623 ( 1.981 0.104 -0.511) 2.049 26.603 ( 4.787 3.076 3.986) 6.947 26.896 ( -2.127 4.436 -3.006) 5.765 28.124 ( 1.223 4.691 3.199) 5.808 28.291 ( -0.844 0.731 -0.299) 1.156 28.446 ( 5.219 1.487 2.905) 6.155 29.211 ( -1.640 -6.831 -6.082) 9.293 ======================= Grid point 230 (110/141) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -4.090 8.119 -1.662) 9.242 2.680 ( -2.768 9.806 3.080) 10.644 3.127 ( -1.793 7.892 0.940) 8.147 3.220 ( -6.509 17.172 -5.134) 19.069 3.496 ( -0.059 9.257 -2.850) 9.686 3.683 ( 2.291 3.891 9.490) 10.510 3.960 ( 7.365 -3.328 -12.925) 15.244 4.240 ( 0.038 1.551 -4.599) 4.854 4.852 ( 10.910 2.619 7.886) 13.714 5.057 ( 15.630 -7.295 3.027) 17.512 5.184 ( 16.981 3.063 -2.265) 17.403 5.403 ( 8.095 -1.950 -0.178) 8.329 5.659 ( 14.410 4.453 -0.538) 15.092 6.058 ( -5.995 -3.610 1.143) 7.091 6.174 ( -1.467 -4.447 4.017) 6.170 6.482 ( -12.354 -1.088 -5.524) 13.576 7.024 ( -9.715 -3.953 15.199) 18.467 7.145 ( -3.603 5.950 4.742) 8.419 7.349 ( 2.398 1.671 -6.510) 7.136 7.483 ( 4.192 -3.414 1.710) 5.670 7.840 ( -7.378 -2.629 -10.586) 13.169 8.056 ( -9.491 7.285 -4.330) 12.724 8.298 ( -12.110 16.457 8.948) 22.306 8.768 ( -2.209 -0.314 1.126) 2.499 8.956 ( 3.507 -5.202 2.735) 6.844 9.209 ( 4.113 -10.942 -9.798) 15.253 9.533 ( -4.959 2.263 1.879) 5.765 9.973 ( -11.972 -4.021 -0.673) 12.647 10.248 ( 5.055 12.662 8.579) 16.108 10.570 ( 4.267 1.090 3.547) 5.655 10.867 ( 8.750 -2.212 -6.185) 10.941 11.596 ( 11.222 -6.961 5.833) 14.437 11.738 ( -6.228 10.001 -11.606) 16.538 12.061 ( 5.040 1.167 1.376) 5.353 12.868 ( -7.575 4.232 0.480) 8.691 13.114 ( 3.584 -6.328 0.042) 7.273 13.427 ( -10.869 -9.709 -4.850) 15.360 13.999 ( -15.215 -15.323 -3.463) 21.870 14.414 ( 10.979 -6.502 5.857) 14.040 14.470 ( 4.077 4.977 3.131) 7.155 14.935 ( -8.619 0.719 4.159) 9.597 15.756 ( -1.695 -0.847 1.862) 2.657 16.015 ( 2.905 0.725 4.046) 5.033 16.574 ( -2.958 -4.272 -3.923) 6.511 16.919 ( 7.466 6.129 0.614) 9.679 17.127 ( 17.298 11.243 -0.880) 20.650 17.445 ( 2.521 6.669 -8.026) 10.736 17.785 ( 14.651 -5.417 2.863) 15.881 18.271 ( -13.337 -10.907 -2.085) 17.355 18.572 ( -2.095 2.517 5.471) 6.377 18.830 ( -6.724 -1.875 -4.490) 8.299 19.115 ( -2.060 1.052 -1.113) 2.567 21.265 ( 2.777 2.674 0.721) 3.922 21.601 ( -1.223 0.524 -8.072) 8.180 22.300 ( 9.540 -8.449 2.438) 12.975 23.376 ( -16.960 -15.656 11.329) 25.712 24.653 ( -1.818 5.133 -1.740) 5.717 24.683 ( -2.610 2.269 -6.773) 7.604 25.183 ( 4.963 -4.272 4.003) 7.675 25.624 ( 0.161 1.163 -1.719) 2.081 26.632 ( 3.551 4.684 3.538) 6.860 26.818 ( -1.267 2.045 -1.633) 2.908 28.098 ( 0.964 4.168 2.897) 5.166 28.244 ( -2.453 2.540 -0.039) 3.531 28.531 ( 5.738 0.860 5.959) 8.317 29.237 ( -1.217 -6.615 -10.331) 12.328 ======================= Grid point 231 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -6.764 16.746 6.277) 19.120 2.535 ( 1.850 15.966 9.041) 18.441 2.911 ( -8.481 10.406 -8.414) 15.843 2.959 ( -1.136 6.305 -12.288) 13.858 3.380 ( -2.450 9.893 13.208) 16.683 3.745 ( 7.269 3.335 3.754) 8.835 3.964 ( 3.446 3.340 -16.969) 17.635 4.108 ( -2.372 8.828 -7.629) 11.906 5.000 ( 11.935 9.284 5.485) 16.085 5.260 ( -2.867 8.765 17.350) 19.649 5.421 ( 21.520 -3.987 -5.643) 22.602 5.504 ( 13.282 0.794 -1.269) 13.366 5.810 ( -1.441 -4.901 1.048) 5.215 5.990 ( -9.009 -2.941 -2.921) 9.917 6.084 ( -0.364 28.652 -3.762) 28.900 6.259 ( -9.551 -7.872 4.883) 13.305 6.984 ( -4.124 -0.892 9.736) 10.611 7.115 ( -1.535 5.123 9.417) 10.829 7.409 ( -1.804 -7.389 -7.125) 10.422 7.566 ( -6.628 16.695 -10.177) 20.645 7.592 ( 0.792 -13.347 -2.977) 13.698 7.792 ( -5.207 -10.508 -7.163) 13.742 8.364 ( 0.184 -12.064 12.156) 17.127 8.710 ( -6.538 1.301 2.171) 7.011 9.040 ( -0.119 -4.256 2.300) 4.839 9.307 ( -1.912 -7.913 -8.391) 11.691 9.523 ( 3.537 0.206 4.808) 5.972 9.884 ( -5.633 -4.837 -6.487) 9.859 10.293 ( 9.379 6.213 14.427) 18.295 10.682 ( 4.749 -2.562 2.521) 5.956 10.957 ( 6.198 -0.379 -6.871) 9.261 11.286 ( -17.316 15.923 -1.067) 23.549 11.852 ( 10.769 2.367 -0.556) 11.041 12.087 ( 4.242 8.963 -5.823) 11.500 12.883 ( 5.436 -8.768 2.790) 10.687 13.221 ( -0.641 -7.318 -4.829) 8.791 13.448 ( -5.212 -16.346 3.121) 17.439 13.984 ( -15.501 -22.038 -10.146) 28.790 14.449 ( 3.393 5.520 1.894) 6.751 14.667 ( -4.030 3.401 0.049) 5.273 14.838 ( 7.963 0.647 20.196) 21.719 15.627 ( -6.625 3.805 -6.260) 9.877 16.178 ( 6.612 -3.350 7.030) 10.216 16.539 ( -4.022 -1.277 -5.070) 6.597 16.934 ( 5.698 6.911 2.902) 9.416 17.155 ( 7.743 17.452 3.885) 19.484 17.356 ( 6.985 6.841 -6.616) 11.806 17.994 ( -6.908 0.709 -9.223) 11.545 18.185 ( 6.255 -4.696 -2.591) 8.240 18.502 ( -7.411 -2.682 -0.135) 7.882 18.851 ( 1.027 -6.606 1.780) 6.918 19.049 ( -4.417 0.955 -0.753) 4.581 21.289 ( 2.108 1.313 4.582) 5.212 21.550 ( 0.209 0.375 -7.992) 8.003 22.606 ( 13.578 -10.635 6.670) 18.492 23.359 ( -20.193 -17.283 0.909) 26.595 24.568 ( -2.904 2.802 1.437) 4.284 24.603 ( 1.521 3.793 -5.605) 6.937 25.340 ( 5.774 -4.086 4.878) 8.592 25.586 ( -1.153 1.713 -2.419) 3.181 26.627 ( 3.125 5.413 3.874) 7.354 26.782 ( -1.823 -0.212 -1.200) 2.193 28.074 ( 0.554 3.487 2.915) 4.578 28.166 ( -3.337 3.197 0.738) 4.679 28.644 ( 5.657 0.484 9.609) 11.161 29.229 ( -1.452 -5.221 -15.952) 16.848 ======================= Grid point 232 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.115 15.754 19.326) 24.934 2.358 ( -6.872 16.981 19.423) 26.698 2.628 ( -1.734 10.728 -17.045) 20.214 2.851 ( 5.826 3.472 -20.743) 21.823 3.333 ( -0.990 7.334 19.537) 20.892 3.772 ( 0.463 13.918 -1.317) 13.988 3.809 ( 0.508 2.667 -11.005) 11.335 3.901 ( 2.938 13.858 -11.382) 18.172 4.926 ( 1.597 26.236 7.493) 27.332 5.042 ( -4.791 15.885 0.364) 16.596 5.486 ( -9.086 12.646 15.306) 21.835 5.635 ( -13.357 8.760 11.212) 19.515 5.797 ( 17.633 7.004 -0.106) 18.973 5.888 ( 10.557 2.428 -12.113) 16.250 5.949 ( -3.109 -9.088 -2.112) 9.834 6.166 ( 0.428 0.757 -12.732) 12.762 7.061 ( -9.068 -10.448 15.759) 20.970 7.147 ( 7.602 -1.954 4.751) 9.175 7.368 ( -2.775 -4.566 -0.458) 5.363 7.526 ( -1.985 -14.554 -12.843) 19.511 7.805 ( -7.482 -18.841 -0.709) 20.284 7.905 ( 8.967 -13.552 -6.595) 17.538 8.496 ( -5.449 -0.870 12.025) 13.231 8.670 ( 3.098 -3.968 -2.003) 5.418 9.131 ( -2.566 -9.112 8.180) 12.512 9.316 ( -2.252 -5.437 -6.189) 8.540 9.626 ( 4.113 -2.600 5.656) 7.461 9.883 ( 5.101 -3.539 -15.686) 16.870 10.435 ( 4.502 5.646 17.813) 19.221 10.649 ( -6.403 12.565 -0.108) 14.102 10.929 ( 1.898 6.867 0.507) 7.143 11.007 ( -1.139 -1.917 -7.557) 7.879 11.891 ( 3.183 5.569 -1.921) 6.696 11.923 ( -1.310 11.387 -4.860) 12.450 13.105 ( 4.443 -7.948 4.074) 9.975 13.252 ( -2.168 -8.935 -9.087) 12.927 13.779 ( 1.787 -26.096 12.548) 29.011 14.064 ( -3.637 -22.615 -12.500) 26.095 14.335 ( -11.232 8.452 10.701) 17.667 14.542 ( 9.403 8.619 -6.686) 14.402 15.143 ( 9.684 -4.019 17.592) 20.479 15.431 ( -10.765 1.273 -8.641) 13.862 16.282 ( 2.024 4.582 7.466) 8.990 16.441 ( -2.101 4.997 -5.422) 7.667 16.921 ( 1.610 9.473 2.109) 9.838 16.945 ( -5.759 13.127 1.831) 14.451 17.362 ( 4.166 10.094 3.997) 11.628 17.644 ( -0.049 16.170 -21.727) 27.084 18.420 ( 5.646 -4.202 1.728) 7.247 18.449 ( -6.332 -8.081 -0.691) 10.289 18.981 ( -0.044 -1.045 0.674) 1.244 18.997 ( 1.519 -7.381 -0.574) 7.558 21.329 ( 1.132 0.669 6.460) 6.592 21.500 ( -0.180 0.836 -8.371) 8.415 23.020 ( 14.765 -12.746 15.007) 24.611 23.274 ( -21.889 -17.970 -7.397) 29.271 24.516 ( -1.698 1.497 1.522) 2.728 24.575 ( 4.934 2.943 -4.326) 7.192 25.467 ( 1.393 -1.704 3.489) 4.126 25.536 ( 0.697 1.554 -2.849) 3.319 26.652 ( 5.033 1.718 5.201) 7.439 26.738 ( -3.904 -0.106 -2.704) 4.750 28.055 ( 0.100 2.776 3.536) 4.497 28.088 ( -3.164 2.220 1.194) 4.045 28.763 ( 2.605 0.592 13.627) 13.886 29.159 ( -0.778 -1.764 -20.906) 20.995 ======================= Grid point 233 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.910 15.709 20.220) 25.622 2.268 ( 2.563 6.739 21.802) 22.963 2.422 ( 3.110 9.898 -9.644) 14.165 2.730 ( 4.047 11.117 -23.634) 26.429 3.312 ( -1.992 9.935 12.130) 15.806 3.552 ( 2.312 10.498 -1.892) 10.915 3.668 ( -0.599 8.435 -2.997) 8.972 3.824 ( 8.525 9.557 -6.983) 14.587 4.547 ( -3.941 24.702 1.542) 25.061 4.784 ( 9.648 30.409 -0.725) 31.911 5.197 ( -20.332 4.984 14.699) 25.578 5.449 ( -11.871 0.745 12.038) 16.923 5.730 ( 2.569 6.844 -8.086) 10.901 5.967 ( 1.555 -0.229 -15.838) 15.915 6.106 ( 10.856 -5.340 -2.661) 12.387 6.299 ( 13.172 -5.258 -5.150) 15.089 7.058 ( -11.236 -3.197 4.648) 12.572 7.247 ( 0.253 0.443 5.521) 5.544 7.448 ( -10.127 -6.699 9.041) 15.139 7.708 ( -3.444 -23.549 6.080) 24.564 7.886 ( -0.531 -17.236 -13.393) 21.834 8.230 ( 4.446 -17.576 -0.666) 18.142 8.521 ( -2.032 -2.821 13.393) 13.837 8.813 ( 13.731 -6.058 -9.283) 17.647 9.274 ( -3.202 -11.346 6.943) 13.681 9.319 ( -3.053 -4.814 -4.879) 7.503 9.752 ( 1.015 -3.914 -1.993) 4.508 9.898 ( 5.568 4.729 -5.377) 9.070 10.188 ( -12.214 10.006 0.790) 15.809 10.623 ( 11.226 10.373 9.303) 17.894 10.894 ( -4.208 -0.800 -6.903) 8.124 11.022 ( 8.601 3.914 -1.237) 9.530 11.728 ( -5.245 7.136 0.159) 8.857 11.814 ( -2.051 6.802 -4.233) 8.270 13.210 ( -2.523 -6.994 -1.611) 7.608 13.380 ( 6.854 -10.112 -1.432) 12.299 13.991 ( -12.033 -8.262 4.497) 15.273 14.182 ( -9.126 -8.674 8.239) 15.047 14.488 ( 14.958 -22.762 -2.152) 27.322 14.561 ( 16.681 9.379 -5.476) 19.905 15.195 ( -14.346 -3.986 -3.323) 15.256 15.373 ( 1.589 -1.797 8.698) 9.023 16.129 ( -7.802 16.301 2.535) 18.249 16.331 ( 3.050 12.705 0.851) 13.094 16.587 ( -11.852 12.467 -2.846) 17.435 16.880 ( 1.373 5.901 -0.415) 6.073 17.182 ( -5.329 7.917 -1.419) 9.648 17.553 ( 22.511 20.218 -3.211) 30.427 18.371 ( -11.933 -7.167 -1.163) 13.969 18.551 ( 1.453 -0.810 0.881) 1.882 19.014 ( 1.006 -3.889 3.063) 5.052 19.149 ( 5.637 -6.436 -3.760) 9.345 21.364 ( 0.673 0.850 5.642) 5.745 21.456 ( 1.720 0.489 -6.116) 6.372 23.100 ( -25.871 -16.087 -7.315) 31.331 23.455 ( 6.543 -9.472 17.557) 20.994 24.516 ( 4.737 0.169 -0.538) 4.771 24.632 ( 8.015 -1.733 -4.033) 9.138 25.423 ( -5.367 1.494 -0.136) 5.573 25.551 ( 3.039 2.430 -1.974) 4.363 26.632 ( -6.344 1.536 -5.429) 8.490 26.811 ( 9.301 -6.466 3.663) 11.905 28.041 ( -0.827 1.903 3.248) 3.854 28.048 ( -1.242 -0.153 2.744) 3.016 28.764 ( -8.358 4.103 4.831) 10.489 29.102 ( 6.474 0.964 -9.215) 11.303 ======================= Grid point 237 (114/141) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 8.538 0.000 6.755) 10.887 2.752 ( 15.363 0.000 0.436) 15.369 3.170 ( -19.138 -0.000 3.983) 19.548 3.338 ( 10.236 0.000 -7.985) 12.982 3.632 ( 1.984 0.000 14.058) 14.197 3.660 ( 26.392 0.000 -2.625) 26.522 3.809 ( 5.614 0.000 2.223) 6.038 3.992 ( 12.650 0.000 8.685) 15.344 4.610 ( 17.537 0.000 -23.787) 29.553 4.907 ( -8.828 -0.000 11.824) 14.756 5.180 ( -7.619 -0.000 4.579) 8.889 5.315 ( 4.062 0.000 -22.478) 22.842 5.758 ( -4.616 -0.000 -3.750) 5.948 5.870 ( 1.545 0.000 3.521) 3.845 6.219 ( 18.783 0.000 6.496) 19.875 6.250 ( 2.675 0.000 7.588) 8.046 6.595 ( 1.238 0.000 -8.586) 8.674 6.681 ( 14.068 0.000 5.192) 14.996 7.369 ( -11.881 -0.000 15.139) 19.245 7.398 ( -7.245 -0.000 2.907) 7.806 8.073 ( -2.950 -0.000 -11.911) 12.271 8.087 ( -4.271 -0.000 -10.016) 10.888 8.869 ( 0.489 0.000 2.514) 2.561 8.914 ( -7.313 -0.000 7.158) 10.233 9.259 ( 3.814 0.000 1.425) 4.071 9.398 ( -0.868 -0.000 -12.936) 12.965 9.987 ( -16.435 -0.000 0.906) 16.460 10.053 ( -4.723 -0.000 -11.863) 12.769 10.404 ( -1.125 -0.000 -8.608) 8.681 10.500 ( 2.477 0.000 7.914) 8.293 11.183 ( 15.566 0.000 5.861) 16.633 11.240 ( 14.514 0.000 7.903) 16.526 11.433 ( -4.130 -0.000 -3.332) 5.307 11.824 ( 16.120 0.000 8.287) 18.126 13.337 ( -26.827 -0.000 2.738) 26.966 13.514 ( -23.043 -0.000 -8.035) 24.404 13.614 ( -17.975 -0.000 2.137) 18.102 13.804 ( 3.210 0.000 5.185) 6.098 14.324 ( 2.032 0.000 0.581) 2.113 14.407 ( -6.208 -0.000 0.524) 6.230 14.802 ( 5.803 0.000 -16.488) 17.479 15.034 ( 7.665 0.000 8.325) 11.317 16.165 ( 3.590 0.000 10.107) 10.726 16.517 ( 11.047 0.000 -10.402) 15.174 16.901 ( 0.238 0.000 -6.152) 6.156 17.086 ( 13.397 0.000 -7.633) 15.418 17.596 ( 11.041 0.000 -0.607) 11.058 17.756 ( -0.771 -0.000 -0.125) 0.781 17.985 ( -14.465 -0.000 3.002) 14.773 18.165 ( 2.623 0.000 20.326) 20.494 19.118 ( -3.841 -0.000 -7.146) 8.113 19.238 ( -1.738 -0.000 2.972) 3.443 21.371 ( 1.664 0.000 -8.550) 8.710 21.781 ( 3.890 0.000 -11.153) 11.812 22.103 ( -12.881 -0.000 -0.146) 12.882 22.911 ( -5.783 -0.000 29.565) 30.126 24.893 ( -3.957 -0.000 4.182) 5.757 24.991 ( -2.654 -0.000 -16.865) 17.073 25.015 ( -2.359 -0.000 0.032) 2.360 25.563 ( 4.044 0.000 -0.467) 4.071 26.565 ( 6.110 0.000 5.339) 8.115 27.099 ( -4.979 -0.000 -5.888) 7.711 28.221 ( -2.299 -0.000 11.230) 11.463 28.246 ( 6.824 0.000 -8.253) 10.709 28.444 ( 4.662 0.000 3.862) 6.054 29.081 ( -3.552 -0.000 -4.796) 5.968 ======================= Grid point 238 (115/141) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 7.210 4.360 4.315) 9.466 2.905 ( -12.920 -0.310 4.302) 13.621 3.064 ( 4.670 -11.787 1.304) 12.745 3.440 ( 9.736 -0.000 -6.178) 11.531 3.711 ( 4.486 2.409 9.765) 11.012 3.846 ( 4.552 3.686 3.855) 7.012 4.030 ( 15.437 2.620 -2.645) 15.880 4.219 ( 12.328 -8.970 -1.589) 15.329 4.545 ( 7.502 19.173 -11.748) 23.705 4.931 ( 1.114 -3.760 7.797) 8.728 5.040 ( 1.088 4.582 -3.283) 5.740 5.462 ( 0.054 -14.095 -10.588) 17.629 5.582 ( -1.196 1.747 -2.542) 3.308 5.927 ( 1.203 2.173 2.270) 3.365 6.149 ( 9.946 14.133 4.143) 17.772 6.452 ( 5.796 9.152 3.298) 11.324 6.698 ( 4.897 -12.051 11.303) 17.233 7.055 ( 4.977 -18.236 -8.147) 20.583 7.301 ( -9.683 -2.106 4.924) 11.065 7.340 ( -3.642 -2.355 10.437) 11.303 7.960 ( -3.012 1.781 -13.531) 13.976 8.106 ( 7.267 -9.156 -3.086) 12.090 8.809 ( -5.694 2.960 -1.164) 6.522 8.876 ( -1.788 1.335 1.905) 2.934 9.196 ( -3.245 15.286 5.880) 16.696 9.251 ( -2.491 7.755 -6.417) 10.370 9.685 ( -5.762 6.758 -5.172) 10.277 10.045 ( -10.163 -6.814 -6.427) 13.822 10.394 ( 1.144 -9.146 -13.133) 16.045 10.624 ( -2.437 -8.558 9.117) 12.740 11.149 ( 15.945 24.105 11.947) 31.274 11.237 ( -3.013 14.109 -0.546) 14.437 11.666 ( 11.602 -9.950 -0.905) 15.311 12.222 ( 16.411 -18.205 6.600) 25.383 12.754 ( -20.149 22.020 -0.065) 29.848 13.327 ( -19.171 -10.790 -1.882) 22.079 13.350 ( -24.711 -1.962 2.331) 24.898 13.927 ( -1.874 -10.838 -0.063) 10.999 14.207 ( -9.724 7.763 1.203) 12.500 14.412 ( 5.282 -2.707 0.430) 5.951 14.888 ( 14.010 1.714 -9.948) 17.268 15.232 ( 6.744 -9.144 7.748) 13.752 16.243 ( 0.847 0.738 7.025) 7.114 16.620 ( 7.985 1.632 -8.654) 11.887 16.888 ( 3.568 -0.694 -5.529) 6.617 17.080 ( 1.211 2.833 -10.876) 11.304 17.691 ( 6.068 6.234 -5.740) 10.423 17.777 ( 13.904 9.432 10.789) 19.967 17.871 ( -15.858 -12.379 3.180) 20.367 18.370 ( 1.657 -8.396 16.271) 18.384 19.019 ( -4.242 1.101 -6.587) 7.912 19.204 ( -2.471 1.670 -0.067) 2.983 21.355 ( 3.007 1.796 -5.959) 6.912 21.706 ( -2.730 0.595 -14.474) 14.741 22.035 ( 0.000 -0.770 5.876) 5.926 22.990 ( -10.591 -7.399 22.301) 25.773 24.829 ( -5.383 1.917 -0.120) 5.715 24.875 ( -2.126 0.111 -11.801) 11.991 25.014 ( 1.624 0.040 2.481) 2.965 25.610 ( 2.574 -0.622 -1.802) 3.203 26.661 ( 4.479 1.261 5.715) 7.370 26.994 ( -3.443 2.277 -4.891) 6.400 28.227 ( -1.890 2.352 9.482) 9.950 28.301 ( 5.431 0.122 -6.426) 8.415 28.505 ( 4.322 2.576 3.320) 6.028 29.042 ( -2.771 -4.933 -5.927) 8.194 ======================= Grid point 239 (116/141) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -3.928 1.396 4.611) 6.216 2.811 ( 0.923 1.690 3.594) 4.077 3.235 ( 3.423 -2.674 -2.628) 5.076 3.503 ( -0.896 0.311 -5.492) 5.573 3.781 ( 5.221 11.902 4.234) 13.669 3.815 ( -1.763 4.090 10.137) 11.073 3.987 ( 2.817 8.089 -9.309) 12.650 4.292 ( 7.787 8.022 -12.579) 16.829 4.673 ( 14.273 -11.496 8.062) 20.022 4.991 ( 5.403 -0.753 -12.042) 13.220 5.134 ( 5.570 -5.479 13.570) 15.659 5.435 ( 11.202 7.500 -6.352) 14.902 5.729 ( -5.973 -14.664 1.615) 15.916 5.973 ( 4.118 -4.564 -1.692) 6.376 6.093 ( 0.812 11.957 3.688) 12.539 6.476 ( 13.494 8.425 1.266) 15.959 6.902 ( -7.309 -5.929 17.629) 19.984 7.082 ( -5.036 -4.885 -11.192) 13.210 7.313 ( -7.241 -12.496 3.431) 14.844 7.417 ( 3.811 -2.774 4.819) 6.741 7.812 ( -2.102 4.620 -10.091) 11.295 8.404 ( 7.738 -9.109 0.475) 11.961 8.630 ( -4.039 15.386 -2.462) 16.097 8.774 ( -3.656 3.107 -3.237) 5.788 9.037 ( -1.627 4.811 6.756) 8.452 9.055 ( -4.513 12.091 -0.119) 12.906 9.566 ( -3.106 1.038 -3.915) 5.104 9.902 ( -10.520 -0.991 -5.089) 11.729 10.442 ( -0.063 -1.133 -7.840) 7.922 10.646 ( -8.778 -5.270 -4.393) 11.141 10.945 ( 3.338 16.281 8.224) 18.543 11.401 ( 23.391 0.437 13.877) 27.202 11.842 ( 6.610 -0.955 -9.746) 11.815 12.287 ( -8.579 15.027 2.794) 17.527 12.721 ( 10.060 -18.039 1.202) 20.689 13.055 ( -20.304 -2.191 4.018) 20.813 13.203 ( -15.657 -8.004 0.797) 17.602 13.793 ( -16.874 0.118 -14.009) 21.931 14.211 ( 2.559 -7.513 10.463) 13.132 14.535 ( 6.557 -2.155 1.597) 7.084 14.972 ( 8.807 5.934 -0.143) 10.621 15.530 ( 9.226 -12.020 5.969) 16.286 16.207 ( -3.739 6.257 0.030) 7.289 16.508 ( -7.165 4.116 -5.607) 9.986 16.987 ( 9.799 -1.120 -6.776) 11.966 17.133 ( 8.986 -7.772 -3.957) 12.522 17.626 ( 5.332 9.085 -7.567) 12.970 17.853 ( -13.649 -13.487 2.921) 19.409 17.921 ( 11.854 6.776 8.789) 16.238 18.552 ( 0.254 -5.103 15.250) 16.083 18.885 ( -6.085 4.190 -6.554) 9.876 19.142 ( -2.024 0.972 -3.616) 4.256 21.344 ( 3.354 2.953 -3.006) 5.386 21.600 ( -2.000 -0.100 -10.229) 10.423 22.144 ( 6.803 -3.790 4.901) 9.201 23.019 ( -16.110 -11.050 13.508) 23.751 24.725 ( -4.534 2.445 -0.566) 5.182 24.785 ( -0.446 2.655 -9.018) 9.411 25.092 ( 4.254 -2.277 5.359) 7.211 25.624 ( 0.028 -0.716 -3.516) 3.588 26.716 ( 2.701 2.258 4.974) 6.093 26.903 ( -1.295 3.156 -3.556) 4.928 28.207 ( -2.160 3.503 8.265) 9.233 28.315 ( 3.530 2.866 -4.980) 6.744 28.556 ( 4.646 1.407 3.891) 6.222 29.053 ( -2.329 -7.051 -7.521) 10.569 ======================= Grid point 240 (117/141) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 1.929 4.289 4.049) 6.206 2.809 ( 2.967 7.058 3.836) 8.564 3.184 ( -3.717 6.570 -5.487) 9.332 3.242 ( -9.835 14.402 -13.788) 22.231 3.636 ( -3.828 10.450 12.374) 16.642 3.844 ( 3.067 4.572 10.451) 11.812 3.979 ( 7.856 0.368 -13.340) 15.486 4.242 ( 1.385 3.451 -9.020) 9.757 5.032 ( 8.114 -7.114 15.268) 18.697 5.134 ( 17.395 -7.669 -8.046) 20.643 5.356 ( 0.228 -13.711 -0.035) 13.713 5.526 ( 15.203 7.364 3.572) 17.266 5.800 ( -8.252 -11.108 1.957) 13.975 5.884 ( -5.790 13.037 -2.269) 14.444 6.055 ( -2.544 -4.735 2.178) 5.800 6.548 ( 7.592 10.086 -8.904) 15.449 6.854 ( -7.593 -6.788 12.020) 15.755 7.133 ( 0.592 -4.661 5.815) 7.476 7.372 ( -1.869 -9.382 -7.719) 12.292 7.531 ( 2.899 -1.881 -4.805) 5.918 7.725 ( 2.561 8.502 6.095) 10.770 8.213 ( 0.651 25.794 -3.142) 25.993 8.405 ( -14.943 21.941 7.274) 27.525 8.662 ( -7.153 -7.813 -1.334) 10.677 8.977 ( 4.020 1.104 -0.454) 4.193 9.046 ( -1.122 -7.153 -4.431) 8.489 9.524 ( -0.767 -0.464 1.837) 2.044 9.772 ( -6.941 -2.731 -4.979) 8.968 10.381 ( -0.786 1.207 2.377) 2.779 10.596 ( -2.769 -3.626 -1.195) 4.717 10.990 ( 11.817 2.659 0.462) 12.122 11.635 ( -9.361 8.281 -7.573) 14.613 11.886 ( 21.948 0.817 6.875) 23.014 12.191 ( 6.981 3.254 2.887) 8.225 12.776 ( -8.615 -0.993 1.575) 8.814 13.096 ( -7.809 -12.682 4.007) 15.423 13.109 ( -2.837 -5.472 -3.639) 7.158 13.522 ( -16.164 -9.311 -13.787) 23.196 14.417 ( 4.191 -8.060 6.609) 11.234 14.642 ( 1.373 -2.833 1.185) 3.364 15.007 ( 8.287 9.738 12.467) 17.859 15.730 ( -1.607 1.125 -1.994) 2.797 16.071 ( 2.344 0.017 -0.186) 2.351 16.399 ( -7.524 -6.625 -5.779) 11.571 17.076 ( 5.432 2.847 4.025) 7.336 17.396 ( 15.651 -5.074 -2.485) 16.640 17.514 ( 0.738 8.064 -11.554) 14.109 17.835 ( -15.122 -13.445 0.011) 20.234 18.051 ( 11.491 3.454 7.887) 14.359 18.632 ( -5.241 8.800 1.158) 10.308 18.721 ( -0.572 -3.654 3.275) 4.940 19.082 ( -2.357 0.718 -4.883) 5.469 21.344 ( 2.898 2.712 0.379) 3.987 21.541 ( -0.621 -0.635 -8.469) 8.515 22.375 ( 12.346 -7.104 6.122) 15.504 22.968 ( -20.152 -12.733 5.656) 24.499 24.637 ( -3.762 2.792 1.967) 5.081 24.709 ( 1.852 3.511 -8.165) 9.079 25.235 ( 5.729 -3.580 6.812) 9.593 25.594 ( -2.327 -0.742 -5.130) 5.682 26.732 ( 1.193 2.845 3.958) 5.018 26.837 ( 0.083 3.478 -2.427) 4.242 28.169 ( -2.487 3.520 7.018) 8.235 28.277 ( 1.495 5.049 -3.003) 6.062 28.643 ( 4.894 -0.309 6.282) 7.970 29.066 ( -2.117 -6.932 -11.051) 13.216 ======================= Grid point 241 (118/141) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 1.614 16.674 7.341) 18.289 2.785 ( 2.347 11.037 2.690) 11.600 2.897 ( -3.392 10.412 -9.753) 14.664 2.977 ( -1.962 7.468 -8.566) 11.532 3.532 ( -4.271 8.241 16.580) 19.001 3.875 ( 1.304 3.140 0.431) 3.427 3.985 ( 3.955 2.436 -10.016) 11.040 4.140 ( 1.649 5.917 -10.905) 12.516 5.220 ( 0.279 -0.801 14.217) 14.242 5.344 ( -7.219 6.399 5.001) 10.866 5.519 ( -3.690 -10.194 1.169) 10.904 5.614 ( -1.450 -3.078 -0.681) 3.470 5.687 ( 3.947 -7.881 -0.905) 8.860 5.820 ( 7.454 4.026 -7.718) 11.460 6.139 ( 1.336 -5.454 6.287) 8.429 6.353 ( -4.181 8.550 -9.012) 13.108 7.019 ( 4.367 -3.095 15.485) 16.384 7.206 ( 0.125 -0.149 -0.040) 0.199 7.380 ( -8.823 5.602 -1.159) 10.515 7.487 ( -3.631 9.702 -4.287) 11.211 7.582 ( 2.397 -1.415 -1.221) 3.039 7.771 ( 6.899 26.010 -11.884) 29.417 8.364 ( 4.208 -7.140 18.450) 20.226 8.604 ( -9.943 -2.155 0.733) 10.200 9.001 ( 0.151 -1.012 0.119) 1.031 9.112 ( -1.711 -9.726 -7.557) 12.435 9.571 ( -0.072 -2.444 5.555) 6.069 9.754 ( 3.903 -5.346 -9.510) 11.587 10.446 ( 0.789 -3.776 10.473) 11.161 10.637 ( 0.187 -6.291 -3.881) 7.394 11.123 ( 12.371 4.997 0.419) 13.348 11.248 ( -14.234 15.278 -5.900) 21.698 12.053 ( 4.873 6.706 5.424) 9.906 12.213 ( 1.533 9.558 -7.384) 12.175 12.884 ( 9.872 -9.223 5.524) 14.596 13.028 ( -10.787 -10.188 -6.451) 16.179 13.254 ( 3.150 -10.401 6.875) 12.860 13.496 ( -3.985 -19.295 -13.156) 23.691 14.515 ( -7.880 1.812 8.870) 12.002 14.657 ( 3.886 -1.674 -3.807) 5.692 15.143 ( 12.347 5.576 20.052) 24.199 15.509 ( -10.261 5.960 -11.784) 16.723 16.248 ( 7.173 -5.952 5.649) 10.899 16.367 ( -6.788 -7.797 -6.182) 12.045 17.102 ( 1.719 5.978 7.547) 9.780 17.301 ( -4.810 11.650 -7.578) 14.707 17.550 ( -6.041 1.393 8.369) 10.415 17.838 ( 7.961 -5.734 -14.048) 17.134 18.234 ( 2.965 -4.947 6.019) 8.336 18.390 ( -2.062 6.563 -8.067) 10.602 18.855 ( 3.839 -3.511 7.608) 9.217 19.002 ( -2.375 1.454 -5.267) 5.957 21.359 ( 1.735 1.692 3.457) 4.222 21.497 ( -0.794 -0.679 -8.601) 8.664 22.733 ( 16.017 -9.793 10.174) 21.353 22.858 ( -20.685 -13.641 -0.267) 24.779 24.572 ( -2.101 2.630 2.209) 4.027 24.661 ( 3.162 3.408 -6.219) 7.765 25.395 ( 4.632 -3.354 6.478) 8.641 25.535 ( -2.972 -1.244 -6.066) 6.868 26.723 ( 0.343 2.883 3.323) 4.412 26.783 ( -0.094 3.370 -2.068) 3.955 28.122 ( -3.331 2.859 6.137) 7.545 28.206 ( 0.607 5.919 -1.314) 6.093 28.756 ( 3.188 -1.054 10.039) 10.586 29.054 ( -0.833 -5.629 -15.758) 16.754 ======================= Grid point 242 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -2.804 12.918 10.681) 16.995 2.597 ( 5.134 16.555 8.482) 19.297 2.710 ( 1.023 11.244 -8.099) 13.895 2.946 ( 10.248 6.488 -12.065) 17.108 3.488 ( -3.068 5.029 17.862) 18.809 3.746 ( -6.395 4.614 -10.557) 13.177 3.904 ( -0.319 8.658 -4.920) 9.964 4.070 ( 7.068 7.139 -8.946) 13.451 5.001 ( -17.482 13.305 4.653) 22.456 5.244 ( -10.281 -3.639 8.086) 13.576 5.311 ( -19.176 3.419 12.154) 22.959 5.673 ( -2.573 4.247 -12.894) 13.817 5.853 ( 4.961 0.658 4.365) 6.641 5.924 ( 2.973 0.969 -5.962) 6.733 6.148 ( 6.880 8.546 -4.578) 11.888 6.284 ( 11.938 -0.437 1.107) 11.997 6.993 ( -8.845 4.636 12.520) 16.015 7.145 ( -4.271 -8.407 6.691) 11.563 7.343 ( 2.312 -1.084 -4.651) 5.306 7.414 ( 7.962 7.983 1.855) 11.426 7.652 ( 8.159 2.040 -9.346) 12.574 7.764 ( 5.337 -13.750 -4.433) 15.401 8.476 ( -6.965 -0.531 6.798) 9.747 8.656 ( 5.820 -8.974 6.237) 12.382 9.033 ( -2.232 -4.503 6.684) 8.363 9.164 ( -2.605 -7.948 -5.770) 10.161 9.627 ( 1.930 -4.278 -0.962) 4.791 9.911 ( 13.654 -4.883 -9.387) 17.274 10.478 ( -11.421 4.449 5.170) 13.303 10.701 ( 2.902 -3.865 -1.805) 5.159 10.850 ( -12.161 6.580 -0.722) 13.846 11.233 ( 14.457 8.820 2.236) 17.082 11.973 ( -5.826 9.056 -9.536) 14.384 12.006 ( -0.844 9.277 1.093) 9.379 13.001 ( -5.200 -8.699 -7.371) 12.532 13.112 ( 4.286 -8.181 3.019) 9.717 13.497 ( -2.838 -17.053 4.054) 17.757 13.860 ( 20.808 -24.100 -3.430) 32.025 14.336 ( -10.950 7.453 9.731) 16.436 14.734 ( 6.704 1.394 -3.436) 7.661 15.216 ( -11.905 2.697 -13.710) 18.357 15.358 ( 8.781 3.543 18.713) 20.972 16.319 ( -5.579 -2.185 -5.032) 7.824 16.410 ( 2.593 -2.733 5.808) 6.923 16.946 ( -12.295 11.545 -0.020) 16.866 17.099 ( -2.407 11.563 6.829) 13.643 17.351 ( -11.728 3.912 -2.724) 12.660 17.999 ( 24.494 11.069 -11.666) 29.302 18.144 ( -15.722 -8.268 1.546) 17.830 18.501 ( 7.960 -2.597 0.450) 8.385 18.900 ( -2.293 -2.992 -1.737) 4.150 19.036 ( 6.914 -2.488 0.259) 7.352 21.383 ( 0.532 0.719 5.495) 5.568 21.448 ( -0.712 -0.843 -8.494) 8.566 22.712 ( -21.412 -12.929 -2.109) 25.102 23.189 ( 16.778 -11.034 14.120) 24.548 24.537 ( 0.696 1.719 0.455) 1.909 24.647 ( 4.366 2.154 -4.887) 6.898 25.428 ( -5.490 -1.014 -1.502) 5.782 25.552 ( 3.933 -1.905 -0.597) 4.410 26.694 ( -2.473 3.033 -1.032) 4.047 26.743 ( 1.841 0.924 1.389) 2.485 28.067 ( -3.566 2.129 4.236) 5.932 28.141 ( 0.290 4.936 1.626) 5.205 28.815 ( -3.734 0.148 5.137) 6.353 29.059 ( 4.786 -3.889 -11.102) 12.700 ======================= Grid point 243 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 1.942 10.592 5.014) 11.878 2.573 ( 6.404 11.534 -6.149) 14.555 2.675 ( 15.047 9.972 21.855) 28.346 2.836 ( 1.957 13.709 -14.123) 19.780 3.482 ( -2.903 2.834 13.007) 13.625 3.560 ( -1.043 6.330 -12.041) 13.644 3.764 ( -0.814 6.295 3.770) 7.382 4.014 ( 6.011 7.795 -11.773) 15.346 4.652 ( -10.919 12.361 1.473) 16.558 5.032 ( -19.489 3.627 8.927) 21.741 5.167 ( -14.734 -6.130 6.504) 17.233 5.441 ( 9.301 29.482 0.014) 30.914 5.697 ( -9.063 2.669 -9.857) 13.653 5.899 ( -2.944 -3.176 0.310) 4.342 6.230 ( 11.413 2.543 -9.964) 15.362 6.545 ( 16.397 2.164 3.186) 16.843 6.974 ( -1.796 -1.760 7.408) 7.823 7.210 ( -13.722 -6.022 11.442) 18.854 7.279 ( -2.540 -3.816 -3.455) 5.740 7.516 ( 9.278 4.207 5.177) 11.427 7.771 ( 10.246 -8.422 -9.471) 16.298 8.048 ( 4.784 -20.071 0.091) 20.633 8.500 ( -2.828 -6.262 10.964) 12.939 8.837 ( 6.220 -7.511 -5.263) 11.081 9.124 ( -1.887 -6.887 5.661) 9.113 9.170 ( -6.267 -5.909 -1.474) 8.738 9.734 ( 6.700 -3.663 -6.879) 10.278 10.032 ( -7.851 16.798 -3.566) 18.882 10.148 ( 3.543 -1.925 -4.064) 5.725 10.719 ( -6.705 -5.531 -7.535) 11.504 10.810 ( 0.582 -2.205 10.199) 10.451 11.333 ( 16.459 11.066 1.624) 19.900 11.719 ( -6.615 7.959 -6.743) 12.352 11.865 ( -3.388 9.707 -0.655) 10.302 13.019 ( -3.785 -10.411 -8.250) 13.812 13.323 ( 5.737 -11.508 4.860) 13.746 13.686 ( -3.028 -16.803 0.350) 17.077 14.168 ( -6.179 7.268 9.222) 13.268 14.442 ( 14.992 -17.109 1.507) 22.798 14.728 ( -6.818 -7.071 -5.786) 11.400 15.034 ( 8.836 6.568 -8.950) 14.188 15.457 ( -0.832 5.592 13.899) 15.005 16.180 ( -7.096 7.529 -4.107) 11.131 16.455 ( -0.929 2.250 6.066) 6.537 16.597 ( -9.864 13.691 -0.653) 16.886 16.904 ( -8.015 5.863 0.407) 9.939 17.217 ( -0.589 4.990 -0.098) 5.026 17.993 ( -5.953 -1.255 -1.568) 6.282 18.174 ( 12.719 7.986 -1.199) 15.066 18.557 ( 0.015 0.286 0.444) 0.529 18.976 ( 2.706 -7.204 -0.577) 7.717 19.158 ( 5.734 -2.742 -2.376) 6.786 21.398 ( 1.352 -0.887 -4.685) 4.956 21.443 ( 0.705 -1.181 2.556) 2.902 22.573 ( -19.939 -11.620 -0.747) 23.090 23.537 ( 3.923 -2.880 16.462) 17.167 24.596 ( 9.055 -3.714 -1.925) 9.975 24.680 ( 5.409 -0.238 -3.912) 6.680 25.333 ( -7.534 -0.429 -2.189) 7.857 25.592 ( 1.808 1.137 -2.370) 3.191 26.576 ( -4.069 4.666 -4.853) 7.867 26.830 ( 3.743 -5.999 2.420) 7.474 28.024 ( -1.934 0.569 2.008) 2.845 28.108 ( -0.179 2.994 5.297) 6.087 28.704 ( -6.141 3.830 -6.678) 9.848 29.160 ( 5.435 -2.486 1.701) 6.214 ======================= Grid point 248 (121/141) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -11.419 -0.000 6.791) 13.286 2.881 ( 8.217 0.000 5.239) 9.745 3.094 ( 7.278 0.000 0.383) 7.289 3.518 ( 2.739 0.000 -3.430) 4.389 3.827 ( 4.336 0.000 11.188) 11.999 3.956 ( 3.695 0.000 2.718) 4.587 4.125 ( -5.812 -0.000 1.977) 6.139 4.366 ( 23.337 0.000 -14.564) 27.509 4.735 ( 6.458 0.000 -18.433) 19.531 4.974 ( 1.432 0.000 -9.356) 9.465 5.025 ( -3.507 -0.000 14.222) 14.648 5.288 ( 3.788 0.000 -5.220) 6.450 5.568 ( -1.449 -0.000 9.736) 9.843 6.028 ( 8.275 0.000 0.608) 8.297 6.389 ( -1.425 -0.000 18.989) 19.043 6.615 ( 6.167 0.000 -8.066) 10.153 6.742 ( 9.250 0.000 0.501) 9.264 6.963 ( 3.704 0.000 -11.522) 12.103 7.151 ( -12.533 -0.000 7.979) 14.858 7.349 ( -1.481 -0.000 12.658) 12.744 7.886 ( -0.378 -0.000 -10.670) 10.676 8.161 ( 11.335 0.000 -0.333) 11.339 8.713 ( -3.519 -0.000 -12.529) 13.013 8.864 ( -3.507 -0.000 1.583) 3.847 9.222 ( -4.764 -0.000 1.408) 4.968 9.287 ( -2.234 -0.000 4.482) 5.008 9.691 ( -8.967 -0.000 7.417) 11.637 9.842 ( 0.487 0.000 -14.227) 14.236 10.278 ( 2.942 0.000 -14.894) 15.182 10.549 ( -7.694 -0.000 4.705) 9.019 11.271 ( -4.195 -0.000 4.922) 6.467 11.577 ( 10.840 0.000 -0.710) 10.863 11.824 ( 19.160 0.000 10.961) 22.074 12.278 ( 8.690 0.000 3.359) 9.316 12.715 ( -17.245 -0.000 1.133) 17.282 12.797 ( -20.934 -0.000 -4.117) 21.335 13.103 ( -18.536 -0.000 6.622) 19.683 13.810 ( -4.535 -0.000 -14.812) 15.490 14.134 ( -8.164 -0.000 12.947) 15.306 14.473 ( 6.269 0.000 -3.019) 6.958 15.164 ( 23.119 0.000 -2.698) 23.276 15.276 ( 4.327 0.000 9.143) 10.115 16.229 ( -5.216 -0.000 -2.248) 5.679 16.719 ( 3.589 0.000 -9.562) 10.214 16.927 ( 5.841 0.000 3.647) 6.886 16.996 ( 0.960 0.000 -16.079) 16.108 17.563 ( -18.238 -0.000 6.475) 19.354 17.781 ( 3.820 0.000 -9.036) 9.810 18.108 ( 14.340 0.000 14.033) 20.064 18.424 ( 2.184 0.000 15.720) 15.871 18.947 ( -2.189 -0.000 -6.581) 6.936 19.157 ( -4.834 -0.000 -2.577) 5.478 21.387 ( 3.592 0.000 -4.064) 5.424 21.602 ( -2.472 -0.000 -10.776) 11.055 22.096 ( 5.321 0.000 5.143) 7.401 22.865 ( -14.664 -0.000 14.264) 20.457 24.785 ( 0.004 0.000 -10.875) 10.875 24.788 ( -5.464 -0.000 2.719) 6.103 25.069 ( 3.929 0.000 4.303) 5.827 25.611 ( 0.167 0.000 -4.259) 4.262 26.747 ( 2.345 0.000 5.750) 6.210 26.946 ( -1.708 -0.000 -4.252) 4.582 28.252 ( -4.349 -0.000 12.069) 12.828 28.362 ( 7.645 0.000 -8.904) 11.736 28.591 ( 3.008 0.000 3.390) 4.532 28.938 ( -2.288 -0.000 -6.697) 7.077 ======================= Grid point 249 (122/141) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -1.382 -1.903 10.973) 11.222 2.985 ( 9.401 6.538 4.543) 12.319 3.196 ( 1.799 -4.247 -4.988) 6.794 3.444 ( -8.591 2.217 -4.544) 9.969 3.914 ( -3.623 5.367 15.199) 16.521 3.956 ( -0.195 5.090 6.773) 8.474 4.042 ( 2.664 2.648 -6.917) 7.871 4.435 ( 5.790 12.284 -19.188) 23.508 4.738 ( 11.046 -7.562 -6.772) 15.002 4.963 ( -5.195 -14.632 -7.227) 17.126 5.124 ( 9.543 2.487 3.709) 10.536 5.415 ( -4.568 -12.719 -0.739) 13.535 5.695 ( 8.492 -0.486 16.089) 18.199 6.058 ( 6.466 9.420 -0.952) 11.465 6.331 ( -2.440 15.724 10.503) 19.066 6.704 ( 1.165 -6.584 2.333) 7.081 6.828 ( 1.510 8.829 -15.166) 17.614 6.927 ( 1.620 -12.498 0.911) 12.635 7.073 ( -10.271 -4.333 9.557) 14.684 7.446 ( 3.638 -5.640 1.058) 6.794 7.841 ( 2.741 2.896 -2.191) 4.550 8.343 ( 1.598 -9.761 -2.059) 10.103 8.629 ( 1.812 1.404 -11.949) 12.167 8.777 ( -5.286 4.299 -1.243) 6.926 9.155 ( 0.400 9.069 6.425) 11.122 9.215 ( -1.098 11.408 7.290) 13.583 9.553 ( -4.591 5.527 4.014) 8.230 9.780 ( -2.140 1.768 -10.574) 10.932 10.348 ( 7.425 -9.674 -16.224) 20.297 10.411 ( -14.808 -2.071 0.403) 14.958 11.206 ( 1.302 11.161 12.416) 16.746 11.694 ( 7.736 -0.232 -5.704) 9.614 12.019 ( 16.214 10.399 4.317) 19.740 12.394 ( -3.338 10.521 4.953) 12.098 12.563 ( -0.056 -23.325 2.189) 23.427 12.684 ( -12.944 -8.010 -1.498) 15.295 12.952 ( -12.779 -4.534 9.741) 16.696 13.559 ( -11.071 4.703 -19.882) 23.237 14.206 ( 0.832 -5.493 14.489) 15.518 14.537 ( 2.205 -3.254 -4.845) 6.239 15.294 ( 11.107 10.894 11.097) 19.109 15.586 ( 16.112 -8.546 4.526) 18.791 16.113 ( -8.101 -2.327 -9.722) 12.867 16.457 ( -11.992 11.854 -11.994) 20.692 17.075 ( 11.850 -1.937 -4.900) 12.969 17.137 ( 8.773 -10.352 2.488) 13.796 17.431 ( -16.872 -11.486 4.915) 20.994 17.705 ( -1.212 4.963 -11.028) 12.154 18.295 ( 10.386 9.382 14.468) 20.129 18.579 ( 2.444 -5.663 14.063) 15.356 18.860 ( -1.593 5.986 -6.910) 9.280 19.066 ( -5.017 -1.734 -6.063) 8.059 21.408 ( 3.193 1.657 -2.363) 4.304 21.531 ( -1.187 -0.128 -7.332) 7.429 22.247 ( 10.343 -2.634 5.669) 12.085 22.728 ( -17.737 -5.208 6.959) 19.752 24.708 ( -3.625 2.376 1.208) 4.499 24.756 ( 0.870 0.055 -7.054) 7.108 25.173 ( 5.727 -1.099 6.813) 8.968 25.569 ( -2.646 -0.729 -6.479) 7.036 26.786 ( 0.509 1.214 4.994) 5.164 26.907 ( 0.253 1.463 -3.440) 3.746 28.237 ( -5.021 1.500 11.196) 12.362 28.397 ( 6.329 3.300 -8.134) 10.821 28.641 ( 2.815 0.280 3.946) 4.855 28.905 ( -2.143 -4.500 -7.287) 8.829 ======================= Grid point 250 (123/141) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 5.784 -1.527 11.906) 13.324 3.019 ( 7.284 9.723 3.194) 12.562 3.140 ( -4.603 3.535 -10.733) 12.201 3.196 ( -9.185 9.336 -7.672) 15.178 3.763 ( -6.476 10.074 12.175) 17.078 3.942 ( -4.571 1.737 14.003) 14.832 4.040 ( 6.132 3.469 -10.678) 12.793 4.277 ( 2.147 6.769 -12.685) 14.538 5.004 ( 1.696 -14.489 0.276) 14.590 5.075 ( -2.354 -17.632 -6.721) 19.016 5.306 ( 9.290 -3.158 5.455) 11.227 5.416 ( -7.908 -9.737 -1.821) 12.675 5.857 ( -6.813 7.343 9.433) 13.760 5.975 ( 9.623 9.533 3.075) 13.890 6.175 ( 4.254 9.961 4.331) 11.665 6.501 ( -12.107 6.831 -11.939) 18.324 6.902 ( 2.857 -3.532 6.660) 8.062 7.099 ( -1.031 -9.175 2.291) 9.513 7.126 ( 1.871 -10.806 3.650) 11.558 7.513 ( 3.423 -0.406 -16.148) 16.512 7.938 ( 7.577 -1.558 16.973) 18.653 8.324 ( -13.723 -0.351 -13.282) 19.101 8.542 ( -3.844 8.432 4.698) 10.390 8.610 ( 5.342 14.070 -2.865) 15.320 9.034 ( -1.012 11.973 4.760) 12.924 9.103 ( 4.120 9.877 -0.935) 10.742 9.512 ( -1.816 -0.990 6.298) 6.629 9.681 ( 0.499 0.867 -8.902) 8.958 10.287 ( -9.813 -6.864 4.792) 12.898 10.496 ( 7.161 -6.578 -11.938) 15.397 11.222 ( 8.356 5.645 11.390) 15.213 11.560 ( -6.868 8.582 -15.614) 19.095 12.227 ( 1.028 5.764 10.791) 12.277 12.344 ( 11.315 1.478 -1.191) 11.474 12.668 ( 1.345 -8.575 4.891) 9.962 12.743 ( -6.726 -10.267 -0.517) 12.285 13.013 ( -0.904 -12.353 5.780) 13.668 13.284 ( -3.916 3.260 -15.796) 16.597 14.383 ( -0.005 -8.187 11.242) 13.907 14.556 ( -2.028 -4.266 -4.929) 6.827 15.366 ( 4.818 9.080 17.701) 20.469 15.756 ( 3.201 10.671 -10.880) 15.572 16.037 ( -2.235 -9.301 0.205) 9.568 16.199 ( -1.997 -1.583 -10.200) 10.514 17.219 ( 5.368 2.681 8.901) 10.734 17.315 ( -14.574 -15.285 2.094) 21.223 17.501 ( 0.797 -9.305 -5.918) 11.057 17.552 ( 5.811 1.293 -10.082) 11.709 18.331 ( 1.236 9.812 15.482) 18.371 18.650 ( -0.307 8.978 -12.787) 15.627 18.775 ( 3.660 -2.369 13.047) 13.757 19.009 ( -2.281 -1.586 -7.765) 8.247 21.412 ( 1.991 2.125 -0.177) 2.918 21.483 ( -1.288 -0.253 -6.414) 6.547 22.520 ( 15.544 -6.325 7.540) 18.398 22.581 ( -18.519 -7.713 2.484) 20.214 24.640 ( -2.993 2.354 2.364) 4.481 24.735 ( 2.978 2.026 -6.315) 7.270 25.318 ( 5.894 -2.265 7.637) 9.909 25.494 ( -4.472 -1.552 -7.949) 9.252 26.787 ( -0.599 2.009 4.179) 4.675 26.872 ( 0.899 2.812 -3.197) 4.351 28.194 ( -5.147 2.400 9.429) 11.007 28.367 ( 3.443 6.089 -5.335) 8.797 28.719 ( 3.101 -1.636 5.800) 6.778 28.900 ( -1.731 -5.721 -9.997) 11.647 ======================= Grid point 251 (124/141) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -5.572 9.854 -8.386) 14.088 2.941 ( 5.506 11.886 2.289) 13.298 2.988 ( 1.151 9.754 -0.883) 9.862 3.049 ( 6.216 2.777 4.580) 8.205 3.649 ( -4.566 7.049 14.236) 16.529 3.872 ( -8.180 4.688 0.519) 9.442 4.011 ( 1.818 1.891 -6.643) 7.142 4.183 ( 1.968 2.892 -8.024) 8.753 5.004 ( -19.749 -10.074 2.609) 22.323 5.257 ( -4.361 -5.484 6.380) 9.476 5.347 ( -7.804 -13.462 -7.968) 17.482 5.483 ( -13.857 13.837 2.410) 19.731 5.704 ( 13.711 -11.665 3.477) 18.335 6.108 ( 16.430 7.087 -8.133) 19.655 6.169 ( -4.928 0.459 12.632) 13.567 6.222 ( -7.216 2.383 -6.001) 9.683 6.954 ( -8.874 -6.768 5.395) 12.396 7.279 ( 4.737 -4.657 -1.238) 6.757 7.301 ( 7.054 -8.530 7.231) 13.221 7.427 ( 1.803 2.079 -15.850) 16.087 7.826 ( -8.368 29.546 1.347) 30.737 8.197 ( 4.850 2.737 3.660) 6.663 8.466 ( 2.045 -1.123 9.539) 9.820 8.529 ( 7.341 14.294 -0.853) 16.092 8.952 ( -3.095 -1.998 -0.229) 3.691 9.052 ( 4.356 5.097 -3.865) 7.739 9.530 ( -2.122 -2.806 1.204) 3.719 9.746 ( 8.334 -5.581 -2.316) 10.295 10.333 ( -6.428 -10.232 6.406) 13.677 10.600 ( 6.536 -2.703 -5.609) 9.027 11.211 ( -9.131 14.740 -12.250) 21.230 11.379 ( 10.652 2.942 8.530) 13.960 12.037 ( -18.042 -0.672 -0.981) 18.081 12.305 ( -1.106 9.854 -7.313) 12.321 12.797 ( 1.662 -7.063 0.297) 7.262 13.014 ( 9.025 0.719 8.158) 12.187 13.201 ( 6.668 -12.845 -5.004) 15.313 13.312 ( 15.220 -12.935 -0.774) 19.989 14.417 ( -9.806 -1.513 5.869) 11.527 14.632 ( 1.495 -7.904 1.087) 8.117 15.246 ( -15.010 3.705 -1.731) 15.558 15.651 ( 15.350 15.175 2.328) 21.710 16.091 ( -7.911 -12.113 -5.058) 15.326 16.312 ( 8.058 -4.418 2.091) 9.424 17.180 ( -9.777 3.722 2.429) 10.740 17.283 ( -15.056 -6.670 3.857) 16.913 17.342 ( -2.033 5.869 -1.643) 6.424 17.885 ( 14.886 -12.573 -2.119) 19.600 18.169 ( -12.222 7.392 -0.299) 14.287 18.576 ( 12.532 7.012 -3.875) 14.874 18.913 ( 1.303 2.335 3.565) 4.456 18.957 ( 1.286 -3.912 -3.456) 5.377 21.410 ( 0.228 1.313 2.050) 2.446 21.430 ( -1.743 -0.225 -6.352) 6.590 22.443 ( -16.874 -8.091 0.634) 18.724 22.913 ( 18.667 -9.778 9.785) 23.234 24.591 ( -1.488 2.050 1.953) 3.198 24.720 ( 3.943 3.146 -4.905) 7.036 25.387 ( -5.347 -1.735 -4.716) 7.338 25.481 ( 4.566 -3.058 2.810) 6.172 26.767 ( -0.919 2.528 3.621) 4.511 26.819 ( -0.067 3.769 -3.397) 5.074 28.135 ( -4.913 2.707 7.563) 9.416 28.292 ( 1.028 6.657 -2.408) 7.153 28.789 ( -1.886 -1.783 2.441) 3.563 28.927 ( 3.495 -5.951 -7.406) 10.123 ======================= Grid point 252 (125/141) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 1.179 11.140 -1.849) 11.354 2.827 ( 3.866 9.491 -7.500) 12.699 2.978 ( 12.452 12.069 11.321) 20.710 3.104 ( 3.017 4.643 0.251) 5.543 3.545 ( -9.095 8.622 3.498) 13.011 3.672 ( -6.049 1.724 3.993) 7.450 3.957 ( 0.639 3.481 -8.211) 8.941 4.144 ( -1.932 2.819 -0.637) 3.477 4.828 ( -17.977 -2.723 1.049) 18.213 5.009 ( -17.983 6.823 8.906) 21.196 5.259 ( -12.633 6.006 5.564) 15.054 5.423 ( -5.630 -16.925 -10.655) 20.777 5.783 ( -9.029 4.120 -10.383) 14.364 6.132 ( 0.959 9.082 4.406) 10.139 6.233 ( 9.055 -6.469 -5.447) 12.390 6.339 ( 10.020 -16.113 4.225) 19.439 6.959 ( -2.995 -2.684 11.977) 12.634 7.253 ( -1.557 6.164 3.121) 7.082 7.333 ( -0.940 20.924 0.787) 20.959 7.537 ( 5.546 -4.973 -13.555) 15.467 7.608 ( 9.476 -10.350 8.797) 16.562 8.115 ( 7.326 14.559 -4.116) 16.810 8.436 ( 5.828 12.356 -0.309) 13.665 8.677 ( 3.618 -6.500 12.065) 14.174 8.960 ( -6.939 -8.879 -0.013) 11.269 9.060 ( 5.307 1.437 -2.453) 6.021 9.583 ( 2.326 -6.630 -2.118) 7.338 9.968 ( 9.524 -8.049 0.452) 12.478 10.361 ( -7.244 -2.180 0.359) 7.573 10.678 ( 1.649 0.599 -2.314) 2.904 10.799 ( -10.972 12.603 -5.600) 17.624 11.506 ( 6.463 3.573 7.299) 10.384 11.839 ( -9.136 -4.611 -11.621) 15.485 12.120 ( 0.284 11.116 -4.509) 11.999 12.891 ( 3.184 -0.620 -1.337) 3.508 13.081 ( 0.643 -4.440 2.367) 5.072 13.371 ( 5.498 -7.328 1.400) 9.267 13.915 ( 26.629 -19.763 1.344) 33.189 14.314 ( -7.638 1.518 7.699) 10.950 14.641 ( -12.659 -1.399 -4.333) 13.453 15.063 ( -3.072 -4.759 -6.129) 8.346 15.709 ( 13.042 13.910 9.454) 21.283 16.106 ( -6.179 -10.150 -7.574) 14.091 16.451 ( 1.362 -1.975 6.932) 7.335 16.923 ( -11.722 10.328 -0.197) 15.624 17.085 ( -18.043 2.208 2.924) 18.411 17.306 ( 1.306 3.521 2.588) 4.561 17.852 ( -16.870 -0.452 -0.724) 16.892 18.277 ( 16.858 -8.728 -4.535) 19.518 18.664 ( 11.053 8.850 -1.558) 14.245 18.837 ( -0.897 -0.678 -4.311) 4.455 19.083 ( 4.669 -4.055 1.093) 6.280 21.366 ( -2.118 -0.981 -7.734) 8.079 21.429 ( 0.415 0.022 6.003) 6.017 22.330 ( -14.024 -7.199 0.689) 15.779 23.355 ( 16.183 -10.002 11.911) 22.446 24.568 ( 0.714 0.963 -0.227) 1.220 24.719 ( 5.099 2.779 -3.572) 6.817 25.296 ( -6.888 -2.126 -5.483) 9.056 25.584 ( 3.015 -1.577 1.553) 3.740 26.706 ( -2.679 5.134 -2.001) 6.126 26.774 ( 0.398 0.810 1.459) 1.715 28.071 ( -3.868 2.584 5.209) 6.984 28.212 ( -0.655 5.213 1.244) 5.399 28.740 ( -4.005 -0.557 -7.835) 8.817 29.059 ( 5.465 -5.164 2.158) 7.822 ======================= Grid point 253 (126/141) ======================= q-point: (-0.10 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 6.595 11.300 2.172) 13.263 2.768 ( 8.494 6.131 -8.413) 13.436 2.966 ( 0.074 14.569 1.216) 14.620 3.145 ( 17.294 7.998 11.250) 22.128 3.314 ( -12.406 -2.711 -4.761) 13.561 3.700 ( 3.086 -0.157 8.552) 9.093 3.844 ( -2.085 9.492 1.702) 9.866 4.023 ( -6.901 1.813 -5.432) 8.967 4.618 ( -9.926 5.491 -0.724) 11.366 4.818 ( -13.608 -3.583 6.117) 15.343 5.007 ( -12.339 6.553 5.978) 15.196 5.466 ( -2.763 -5.942 -21.234) 22.223 5.542 ( -14.632 -5.740 -0.460) 15.724 6.017 ( 1.043 11.019 3.331) 11.559 6.354 ( 7.779 1.594 -8.395) 11.555 6.770 ( 14.820 -13.397 3.945) 20.363 6.967 ( -2.292 12.621 13.957) 18.956 7.095 ( -5.445 3.262 2.439) 6.800 7.236 ( 0.586 -0.184 10.908) 10.925 7.673 ( 6.118 -9.287 -13.571) 17.546 7.858 ( -1.157 -12.075 6.250) 13.646 8.085 ( 21.940 19.691 -0.928) 29.495 8.431 ( 3.118 -3.589 2.796) 5.515 8.767 ( -2.993 -3.070 -1.074) 4.420 8.974 ( -8.043 -8.336 1.424) 11.671 9.138 ( 6.715 -1.367 1.013) 6.927 9.730 ( 5.631 -8.050 -4.112) 10.650 10.004 ( -16.854 14.306 -2.392) 22.237 10.242 ( 9.421 -1.790 -1.973) 9.791 10.526 ( -6.180 -2.058 -4.083) 7.688 10.767 ( -3.152 -5.080 3.860) 7.116 11.525 ( -2.584 0.484 -2.122) 3.378 11.765 ( 5.046 4.695 -8.102) 10.637 12.006 ( 6.160 11.310 -0.891) 12.910 12.881 ( -0.240 2.614 -2.166) 3.403 13.232 ( 1.857 -15.434 0.730) 15.562 13.570 ( 6.449 -6.768 5.184) 10.690 14.209 ( -2.722 2.592 3.967) 5.465 14.305 ( -21.730 -2.882 -3.284) 22.165 14.553 ( 16.675 -12.727 -2.173) 21.089 15.179 ( 9.143 -7.221 -2.320) 11.880 15.711 ( 6.816 17.037 10.467) 21.125 16.090 ( -3.078 -3.629 -10.173) 11.231 16.442 ( -9.558 1.324 9.999) 13.896 16.655 ( -5.539 11.939 -0.280) 13.164 16.809 ( -12.831 2.085 -0.241) 13.001 17.293 ( 1.698 4.212 2.408) 5.140 17.694 ( -14.498 -8.743 0.153) 16.931 18.542 ( 14.796 1.252 -3.177) 15.184 18.583 ( 1.401 9.040 -2.439) 9.467 18.921 ( 3.483 -6.098 0.276) 7.028 19.180 ( 3.379 -2.587 -2.662) 5.020 21.319 ( -1.493 -2.683 -8.970) 9.481 21.499 ( 3.583 -0.942 8.099) 8.907 22.244 ( -11.987 -6.122 2.661) 13.721 23.653 ( 3.734 -0.350 13.647) 14.153 24.611 ( 4.913 -4.839 -5.780) 8.997 24.774 ( 8.465 0.463 -0.354) 8.485 25.194 ( -7.828 -1.485 -3.196) 8.585 25.613 ( 0.807 0.930 -1.748) 2.139 26.568 ( -3.914 5.598 -4.082) 7.957 26.813 ( 1.357 -3.157 2.169) 4.064 28.023 ( -1.975 1.415 2.582) 3.545 28.165 ( -1.050 2.685 5.593) 6.292 28.628 ( -3.341 1.861 -11.085) 11.726 29.205 ( 4.108 -3.438 4.663) 7.102 ======================= Grid point 259 (127/141) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 4.731 -0.000 14.355) 15.115 3.115 ( -1.366 -0.000 -13.231) 13.302 3.235 ( 12.397 -0.000 5.681) 13.637 3.276 ( -13.807 -0.000 -0.701) 13.825 3.950 ( -9.756 -0.000 20.243) 22.472 3.964 ( -6.740 0.000 4.702) 8.218 4.112 ( 6.204 -0.000 -2.715) 6.772 4.537 ( 5.828 -0.000 -26.019) 26.663 4.650 ( -10.876 -0.000 1.209) 10.943 4.758 ( 7.300 -0.000 -9.053) 11.630 5.262 ( 3.941 -0.000 1.948) 4.396 5.291 ( -2.771 -0.000 -0.939) 2.925 5.912 ( 9.887 -0.000 17.582) 20.171 6.147 ( -4.111 -0.000 -3.287) 5.264 6.517 ( -3.770 -0.000 13.332) 13.855 6.596 ( -7.759 -0.000 3.102) 8.356 6.792 ( 0.373 -0.000 -7.260) 7.269 6.824 ( 6.082 -0.000 -11.190) 12.736 7.092 ( 0.601 -0.000 10.687) 10.704 7.407 ( 2.162 -0.000 -8.585) 8.853 7.918 ( 3.534 -0.000 7.685) 8.458 8.209 ( -5.500 -0.000 -11.001) 12.300 8.669 ( 5.479 -0.000 -0.990) 5.567 8.704 ( -7.159 -0.000 -2.631) 7.627 9.296 ( 6.193 -0.000 4.770) 7.817 9.311 ( -1.163 -0.000 4.448) 4.598 9.570 ( -5.480 -0.000 7.174) 9.027 9.746 ( 2.462 -0.000 -10.006) 10.305 10.197 ( -12.849 -0.000 -1.015) 12.889 10.323 ( 11.308 -0.000 -12.837) 17.107 11.389 ( 3.366 -0.000 14.022) 14.421 11.688 ( -1.752 -0.000 -12.514) 12.636 12.265 ( -1.461 -0.000 4.048) 4.304 12.381 ( 6.533 0.000 -5.444) 8.504 12.494 ( 4.403 -0.000 5.727) 7.224 12.547 ( -1.023 -0.000 -0.794) 1.295 12.871 ( -3.052 -0.000 20.551) 20.776 13.347 ( -7.534 -0.000 -19.718) 21.109 14.263 ( 1.381 -0.000 13.678) 13.747 14.495 ( -0.507 -0.000 -7.327) 7.344 15.501 ( -0.989 -0.000 15.005) 15.038 15.861 ( 8.672 -0.000 16.210) 18.384 15.919 ( 6.497 -0.000 -22.240) 23.169 16.277 ( -10.302 -0.000 -20.776) 23.190 17.024 ( -15.908 -0.000 9.051) 18.302 17.218 ( 13.428 -0.000 -8.251) 15.761 17.333 ( 3.997 -0.000 12.463) 13.088 17.622 ( -4.151 -0.000 -12.811) 13.467 18.554 ( 3.686 0.000 13.383) 13.882 18.618 ( 0.633 -0.000 13.550) 13.565 18.888 ( -9.932 -0.000 -9.632) 13.835 18.922 ( 7.089 -0.000 -7.015) 9.973 21.445 ( 2.160 -0.000 -1.895) 2.874 21.481 ( -1.577 -0.000 -4.958) 5.202 22.433 ( 14.458 -0.000 6.658) 15.917 22.477 ( -16.806 -0.000 3.033) 17.078 24.674 ( -4.121 -0.000 2.046) 4.601 24.760 ( 3.862 -0.000 -5.555) 6.765 25.288 ( 6.102 -0.000 7.592) 9.740 25.471 ( -4.787 -0.000 -8.511) 9.765 26.815 ( -0.920 -0.000 4.646) 4.736 26.910 ( 1.304 -0.000 -3.632) 3.860 28.228 ( -6.068 -0.000 11.172) 12.714 28.468 ( 6.644 -0.000 -9.654) 11.719 28.687 ( 1.036 -0.000 4.905) 5.013 28.812 ( -2.025 -0.000 -6.387) 6.700 ======================= Grid point 261 (128/141) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 1.941 -0.563 10.582) 10.774 3.005 ( -1.524 -0.948 -14.039) 14.153 3.092 ( -8.245 1.933 0.056) 8.469 3.371 ( 10.523 9.570 3.750) 14.710 3.818 ( -9.589 5.532 9.536) 14.611 3.921 ( -9.317 -0.202 14.562) 17.289 4.108 ( -0.904 4.455 -1.940) 4.942 4.339 ( -0.711 10.289 -9.461) 13.996 4.677 ( -8.705 -13.860 -5.096) 17.142 4.899 ( 1.852 -12.735 -2.210) 13.057 5.222 ( -1.703 0.422 -5.230) 5.517 5.372 ( 2.448 -10.349 3.160) 11.094 5.899 ( -12.947 13.442 -0.791) 18.680 6.108 ( 2.799 -1.276 -0.789) 3.175 6.383 ( -1.893 9.806 11.740) 15.413 6.508 ( -4.373 9.104 2.866) 10.498 6.740 ( -2.654 -2.772 -8.351) 9.190 7.027 ( 7.364 -13.311 0.975) 15.244 7.174 ( 3.305 -0.285 12.051) 12.500 7.433 ( 3.405 -4.950 -17.618) 18.614 8.049 ( 1.364 -4.854 13.614) 14.518 8.074 ( -6.184 -2.558 -10.160) 12.166 8.554 ( -9.791 1.987 -1.175) 10.059 8.729 ( 4.224 3.760 3.259) 6.526 9.246 ( 1.413 9.424 -0.382) 9.537 9.329 ( 6.100 10.301 -2.616) 12.254 9.524 ( -2.160 2.585 5.801) 6.708 9.722 ( 5.634 4.755 -4.638) 8.710 10.094 ( -6.448 -5.833 4.877) 9.969 10.502 ( 12.989 -6.212 -8.606) 16.774 11.459 ( 4.417 5.293 10.751) 12.772 11.505 ( -5.918 6.363 -11.526) 14.434 12.124 ( -15.769 9.949 -2.754) 18.847 12.488 ( 4.250 4.875 -2.865) 7.074 12.606 ( -1.569 -13.258 -1.127) 13.398 12.664 ( 14.706 -16.312 0.004) 21.963 13.061 ( 11.011 1.327 22.905) 25.449 13.230 ( 4.814 -0.917 -13.706) 14.555 14.350 ( -2.350 -2.145 9.229) 9.762 14.456 ( -1.164 -3.269 -5.533) 6.531 15.399 ( -18.284 5.517 6.154) 20.065 15.767 ( -6.854 -8.100 -12.746) 16.584 16.055 ( 9.855 11.200 -2.231) 15.085 16.252 ( 16.148 -0.327 -0.351) 16.156 16.903 ( -18.463 -11.287 7.603) 22.936 17.296 ( -4.686 -3.443 -6.242) 8.531 17.443 ( 2.236 3.396 8.804) 9.698 17.606 ( 12.659 -5.132 -8.336) 16.002 18.462 ( -10.698 12.825 6.999) 18.109 18.712 ( 1.940 2.589 -7.386) 8.063 18.763 ( -3.335 -9.518 7.466) 12.548 19.006 ( 8.422 2.286 -3.916) 9.565 21.428 ( -2.485 0.288 -3.861) 4.601 21.450 ( 0.505 0.966 -0.651) 1.269 22.297 ( -13.538 -3.044 1.560) 13.964 22.722 ( 17.677 -4.231 7.219) 19.558 24.630 ( -2.926 0.813 2.352) 3.841 24.788 ( 4.966 1.636 -4.304) 6.772 25.354 ( -5.596 -0.707 -8.470) 10.176 25.417 ( 4.913 -1.548 6.345) 8.173 26.816 ( -1.152 1.067 4.530) 4.795 26.895 ( 0.880 1.724 -4.485) 4.885 28.188 ( -6.278 1.182 9.906) 11.787 28.462 ( 4.033 5.436 -7.596) 10.175 28.744 ( -0.436 -1.538 2.567) 3.024 28.777 ( 0.015 -4.549 -4.357) 6.299 ======================= Grid point 262 (129/141) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -5.854 4.611 -3.125) 8.081 2.993 ( 6.997 1.033 -12.196) 14.098 3.101 ( -1.604 -2.602 8.445) 8.981 3.336 ( 4.927 13.453 7.182) 16.026 3.712 ( -6.246 3.127 10.855) 12.908 3.815 ( -10.280 5.802 5.843) 13.171 3.986 ( -5.824 2.749 -5.371) 8.386 4.178 ( -5.000 3.473 0.591) 6.117 4.667 ( -11.752 -8.423 3.728) 14.932 4.989 ( -6.331 -12.285 -8.236) 16.089 5.248 ( 1.772 1.014 -1.596) 2.591 5.455 ( -15.531 15.093 -4.680) 22.156 5.650 ( 2.709 -20.961 7.481) 22.420 6.055 ( -6.303 6.063 -7.388) 11.449 6.224 ( -6.748 5.595 0.655) 8.791 6.368 ( 1.323 9.268 2.844) 9.785 6.815 ( 1.200 -8.255 8.306) 11.771 7.261 ( -0.962 -3.789 11.077) 11.746 7.314 ( 9.709 -8.479 -8.309) 15.336 7.423 ( 5.380 -1.582 -11.801) 13.065 7.898 ( -5.301 3.759 -10.844) 12.642 8.303 ( 1.416 -8.495 20.487) 22.224 8.413 ( -6.846 0.144 -0.138) 6.849 8.699 ( 0.802 8.104 4.973) 9.542 9.137 ( 6.056 13.564 -4.858) 15.629 9.238 ( 8.954 12.595 -8.830) 17.798 9.482 ( -2.288 0.605 2.346) 3.332 9.813 ( 9.031 -2.594 3.018) 9.869 10.186 ( -1.604 -8.489 9.177) 12.604 10.682 ( 11.663 0.437 -5.538) 12.918 11.244 ( -3.166 13.745 -14.142) 19.973 11.561 ( 3.360 -2.817 8.104) 9.213 11.686 ( -23.945 6.032 -4.900) 25.174 12.394 ( 2.961 10.153 -5.889) 12.105 12.713 ( -5.192 -12.068 1.589) 13.233 13.079 ( 12.106 -6.086 3.286) 13.942 13.302 ( 13.114 0.763 -6.532) 14.671 13.473 ( 26.262 -11.532 10.835) 30.661 14.305 ( -7.067 0.275 2.355) 7.455 14.523 ( -2.340 -8.041 1.765) 8.559 15.032 ( -20.203 4.584 -3.586) 21.025 15.759 ( -4.564 -12.910 -13.274) 19.071 16.098 ( 12.033 11.309 7.226) 18.026 16.409 ( 6.817 1.904 3.176) 7.758 16.860 ( -14.538 -11.799 4.168) 19.182 17.153 ( -10.597 1.227 -4.535) 11.592 17.430 ( -0.681 6.913 7.904) 10.522 17.910 ( 13.212 -11.489 -1.709) 17.592 18.096 ( -14.984 11.686 -3.925) 19.403 18.728 ( 3.444 -1.822 -0.989) 4.020 18.881 ( 2.572 -6.007 -3.417) 7.374 19.042 ( 5.854 6.016 1.943) 8.616 21.361 ( -3.255 0.424 -4.276) 5.390 21.442 ( -0.336 0.855 3.156) 3.287 22.192 ( -9.079 -3.669 1.128) 9.857 23.098 ( 18.440 -8.562 6.677) 21.399 24.599 ( -1.725 0.988 2.711) 3.361 24.807 ( 5.444 3.405 -3.547) 7.336 25.243 ( -5.863 -1.626 -8.080) 10.115 25.529 ( 3.057 -2.210 4.663) 5.998 26.808 ( -0.450 2.222 4.710) 5.228 26.836 ( -0.919 3.375 -5.401) 6.434 28.132 ( -5.714 1.773 8.261) 10.199 28.378 ( 0.757 7.343 -3.855) 8.328 28.705 ( -3.000 -1.578 -7.432) 8.168 28.903 ( 3.942 -6.748 3.892) 8.730 ======================= Grid point 263 (130/141) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -1.285 0.955 -2.171) 2.698 3.002 ( 5.414 10.829 -6.353) 13.673 3.096 ( -2.627 -1.696 1.842) 3.629 3.344 ( 7.598 5.781 13.185) 16.279 3.518 ( -10.777 12.875 0.502) 16.798 3.682 ( -3.735 0.045 3.430) 5.071 3.859 ( -7.188 -1.262 -4.007) 8.325 4.107 ( -8.433 -1.022 7.489) 11.325 4.637 ( -7.984 -3.155 8.645) 12.183 4.894 ( -17.673 6.302 -7.508) 20.209 5.063 ( -3.943 -7.492 -7.703) 11.446 5.233 ( -7.418 7.359 1.922) 10.625 5.686 ( -9.096 11.469 -12.515) 19.259 6.063 ( -2.795 -27.603 9.569) 29.348 6.178 ( -1.655 1.768 2.173) 3.254 6.356 ( 7.294 -2.544 -6.140) 9.868 6.980 ( 1.599 -4.647 14.648) 15.450 7.263 ( -3.213 0.994 1.590) 3.720 7.433 ( 8.980 -1.526 -11.216) 14.449 7.609 ( 4.750 -7.806 -1.554) 9.269 7.761 ( 5.098 8.392 1.598) 9.948 8.249 ( 5.809 17.655 2.685) 18.779 8.482 ( -15.527 -17.437 6.417) 24.214 8.723 ( 3.860 -1.662 8.206) 9.220 9.007 ( 7.169 16.534 -6.858) 19.282 9.185 ( 8.539 6.279 -10.266) 14.756 9.507 ( -1.085 -5.460 5.131) 7.571 10.003 ( 6.141 -4.230 5.232) 9.110 10.309 ( 1.054 -2.015 8.341) 8.646 10.737 ( 2.961 5.044 -3.350) 6.740 10.839 ( -7.966 22.746 -11.854) 26.858 11.424 ( -9.517 -10.025 -11.337) 17.877 11.680 ( 0.149 -5.275 4.360) 6.845 12.281 ( 5.299 11.094 -4.830) 13.209 12.795 ( -5.748 -12.059 0.686) 13.377 13.251 ( 14.238 11.110 3.826) 18.460 13.438 ( 10.471 -2.126 -0.180) 10.686 14.056 ( 19.787 -11.410 0.028) 22.841 14.221 ( -7.529 -2.991 3.369) 8.774 14.481 ( -6.390 2.910 -0.978) 7.089 14.877 ( -5.414 -13.197 0.988) 14.299 15.819 ( -2.585 -14.148 -12.717) 19.198 16.118 ( 9.364 13.898 5.868) 17.756 16.461 ( -2.525 -1.466 6.651) 7.264 16.772 ( -15.727 -1.685 1.530) 15.891 16.960 ( -8.326 5.711 1.816) 10.258 17.380 ( 0.171 3.671 4.637) 5.917 17.666 ( -16.779 8.787 -3.090) 19.191 18.290 ( 11.498 -14.180 -1.430) 18.312 18.797 ( 1.315 -2.754 -4.871) 5.749 18.919 ( 9.403 6.659 -7.184) 13.578 19.085 ( 1.704 -2.144 4.879) 5.595 21.287 ( -3.181 0.069 -4.755) 5.721 21.471 ( 1.055 -0.748 8.004) 8.108 22.139 ( -5.238 -2.456 0.756) 5.834 23.491 ( 14.669 -9.853 5.278) 18.442 24.582 ( -0.780 1.008 2.101) 2.457 24.825 ( 6.435 3.316 -2.543) 7.673 25.149 ( -5.700 -1.713 -5.637) 8.198 25.600 ( 0.865 -1.801 1.451) 2.469 26.713 ( -3.794 5.262 -5.220) 8.327 26.812 ( 0.930 2.078 4.104) 4.694 28.075 ( -4.256 1.960 6.134) 7.719 28.272 ( -1.473 6.021 0.296) 6.206 28.634 ( -2.782 -0.844 -10.243) 10.647 29.076 ( 4.786 -6.544 4.842) 9.443 ======================= Grid point 264 (131/141) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 0.641 -6.793 -1.378) 6.961 2.832 ( -2.793 11.499 0.663) 11.851 3.059 ( -6.656 0.656 2.282) 7.067 3.248 ( 0.382 15.997 2.140) 16.144 3.486 ( 10.816 2.507 2.198) 11.318 3.684 ( -5.066 -9.536 -6.578) 12.644 3.769 ( -4.597 1.516 2.330) 5.372 4.026 ( -4.911 4.334 14.720) 16.111 4.552 ( -6.942 4.956 -8.606) 12.117 4.653 ( -9.655 -4.723 10.259) 14.859 4.999 ( -8.141 6.378 4.971) 11.474 5.145 ( -2.766 -13.335 -12.356) 18.389 5.411 ( -1.477 9.411 -12.796) 15.953 6.085 ( -3.901 4.655 3.219) 6.874 6.363 ( 1.616 -12.376 -6.101) 13.892 6.571 ( 0.711 -20.402 7.323) 21.688 7.121 ( 1.738 1.242 8.628) 8.888 7.234 ( -2.825 -1.547 11.360) 11.808 7.408 ( 1.233 10.061 -1.801) 10.295 7.671 ( 14.670 4.523 -17.200) 23.054 7.782 ( -0.166 6.784 13.393) 15.014 8.310 ( 9.687 -7.493 4.311) 12.983 8.490 ( -16.024 -15.135 2.836) 22.223 8.736 ( 4.141 13.371 -7.647) 15.950 8.900 ( 5.302 6.647 -0.796) 8.540 9.227 ( 8.454 -1.559 -4.836) 9.864 9.627 ( -2.116 -10.072 6.675) 12.267 9.976 ( -12.218 14.430 -0.730) 18.922 10.304 ( 1.782 2.094 1.667) 3.215 10.525 ( 1.078 5.317 -0.235) 5.430 10.689 ( -1.953 2.296 -2.182) 3.721 11.435 ( 1.890 -4.866 -12.413) 13.466 11.756 ( -0.570 -6.076 -0.799) 6.155 12.216 ( 4.809 6.934 -2.945) 8.938 12.900 ( -1.749 -13.236 -1.469) 13.432 13.226 ( 8.907 18.285 3.456) 20.631 13.650 ( 9.264 -4.880 2.487) 10.762 13.993 ( -15.902 2.112 -1.423) 16.105 14.200 ( -3.160 0.538 0.636) 3.268 14.653 ( 13.072 -6.518 1.611) 14.696 15.110 ( 6.216 -17.324 1.297) 18.451 15.889 ( -3.381 -8.184 -5.882) 10.630 16.106 ( 10.547 9.641 0.795) 14.312 16.359 ( -13.613 7.773 4.377) 16.275 16.609 ( -11.110 -7.056 4.220) 13.821 16.747 ( -5.003 13.080 -0.074) 14.004 17.388 ( 2.527 2.370 3.572) 4.976 17.427 ( -10.746 -3.417 -0.137) 11.276 18.564 ( 5.709 -8.437 0.568) 10.202 18.736 ( 2.480 5.964 -11.711) 13.374 18.975 ( 6.561 1.738 1.860) 7.038 19.153 ( 0.445 -3.352 -0.843) 3.485 21.229 ( -2.205 -1.067 -5.050) 5.613 21.578 ( 3.332 -3.032 9.926) 10.900 22.108 ( -2.360 -0.090 0.777) 2.486 23.748 ( 4.156 -2.587 6.049) 7.782 24.580 ( 0.817 -1.622 -2.498) 3.089 24.901 ( 8.902 0.068 0.179) 8.904 25.068 ( -5.500 -0.843 -2.089) 5.944 25.613 ( -0.564 -0.142 -1.684) 1.782 26.553 ( -4.919 4.809 -4.662) 8.310 26.828 ( 1.224 0.897 3.218) 3.558 28.029 ( -2.267 1.682 3.055) 4.159 28.208 ( -1.639 2.427 5.582) 6.304 28.543 ( -2.298 0.387 -11.414) 11.650 29.237 ( 4.427 -4.225 3.815) 7.211 ======================= Grid point 271 (132/141) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -3.323 -0.000 -3.150) 4.579 2.997 ( -2.476 -0.000 8.954) 9.290 2.997 ( 1.245 0.000 -10.393) 10.467 3.521 ( -3.191 -0.000 -3.974) 5.096 3.773 ( -3.775 -0.000 11.953) 12.535 3.858 ( -11.714 -0.000 14.340) 18.516 4.055 ( -12.169 -0.000 6.441) 13.769 4.361 ( -4.203 -0.000 -10.993) 11.770 4.467 ( -6.529 -0.000 7.298) 9.792 4.836 ( 2.970 0.000 -1.484) 3.320 5.221 ( -8.382 -0.000 1.675) 8.548 5.273 ( 9.897 0.000 -9.972) 14.050 5.801 ( -10.520 -0.000 -7.630) 12.996 6.065 ( -6.898 -0.000 -3.665) 7.811 6.434 ( -7.173 -0.000 15.091) 16.709 6.458 ( -6.756 -0.000 5.323) 8.601 6.811 ( -1.306 -0.000 -4.971) 5.140 6.988 ( 12.945 0.000 -11.184) 17.107 7.296 ( 4.117 0.000 13.494) 14.108 7.357 ( 2.535 0.000 -10.474) 10.776 7.927 ( -3.378 -0.000 -10.808) 11.324 8.032 ( -10.990 -0.000 11.214) 15.701 8.444 ( -2.736 -0.000 4.742) 5.475 8.855 ( 5.448 0.000 4.156) 6.852 9.323 ( 4.069 0.000 -3.323) 5.254 9.402 ( 0.752 0.000 -7.410) 7.448 9.592 ( 2.314 0.000 8.162) 8.484 9.850 ( 8.356 0.000 -4.441) 9.463 10.032 ( 0.369 0.000 3.818) 3.836 10.606 ( 11.484 0.000 -1.835) 11.630 11.397 ( -6.657 -0.000 -5.849) 8.862 11.548 ( -1.392 -0.000 2.844) 3.166 12.052 ( -18.248 -0.000 -8.726) 20.228 12.330 ( -7.929 -0.000 0.015) 7.929 12.709 ( 14.325 0.000 3.440) 14.732 12.747 ( 20.126 0.000 -2.153) 20.241 13.288 ( 14.065 0.000 -9.823) 17.156 13.377 ( 13.885 0.000 21.145) 25.297 14.351 ( -4.018 -0.000 8.156) 9.092 14.385 ( 0.411 0.000 -7.928) 7.939 15.140 ( -25.318 -0.000 0.414) 25.321 15.541 ( -5.717 -0.000 -13.218) 14.401 16.235 ( 11.864 0.000 -5.605) 13.121 16.519 ( 3.941 0.000 6.946) 7.987 16.665 ( -5.235 -0.000 13.041) 14.052 17.100 ( -10.382 -0.000 -9.333) 13.960 17.560 ( 0.038 0.000 10.622) 10.622 17.715 ( 14.947 0.000 -7.110) 16.552 18.383 ( -17.208 -0.000 -8.113) 19.024 18.586 ( -4.099 -0.000 2.601) 4.854 18.796 ( 4.112 0.000 4.985) 6.462 19.139 ( 8.394 0.000 -2.056) 8.642 21.370 ( -3.510 -0.000 -2.516) 4.318 21.457 ( -0.525 -0.000 1.679) 1.759 22.143 ( -7.098 -0.000 1.242) 7.205 22.977 ( 18.206 0.000 4.695) 18.802 24.612 ( -2.331 -0.000 3.542) 4.240 24.858 ( 6.035 0.000 -3.551) 7.002 25.222 ( -5.335 -0.000 -8.986) 10.450 25.496 ( 2.611 0.000 5.783) 6.346 26.838 ( -0.246 -0.000 5.356) 5.361 26.885 ( -0.266 -0.000 -6.276) 6.282 28.155 ( -6.622 -0.000 9.266) 11.389 28.517 ( 4.179 0.000 -10.182) 11.006 28.682 ( -2.848 -0.000 -5.787) 6.450 28.773 ( 0.788 0.000 7.836) 7.876 ======================= Grid point 272 (133/141) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -6.954 5.145 -0.871) 8.694 3.006 ( -8.506 -6.318 5.265) 11.832 3.092 ( 16.673 -2.126 -9.861) 19.487 3.357 ( -12.841 -0.392 0.656) 12.863 3.684 ( -22.092 1.199 11.466) 24.919 3.798 ( 0.786 5.283 6.991) 8.798 3.927 ( -5.835 1.077 2.494) 6.436 4.165 ( -9.273 8.662 2.924) 13.022 4.458 ( -9.257 -7.792 5.175) 13.160 4.813 ( -2.979 3.693 -5.648) 7.377 5.254 ( -6.733 -16.134 6.552) 18.670 5.368 ( 5.512 1.268 -13.593) 14.723 5.539 ( -3.378 12.095 1.686) 12.670 6.033 ( 0.348 -4.269 -7.274) 8.441 6.165 ( -14.508 14.784 2.919) 20.918 6.429 ( -5.936 3.210 3.479) 7.592 6.784 ( -2.475 -9.695 5.242) 11.295 7.174 ( 5.993 -9.648 -16.374) 19.927 7.360 ( 3.660 -2.580 0.766) 4.543 7.429 ( 6.248 -0.427 2.935) 6.916 7.845 ( -0.122 2.027 -6.682) 6.984 7.971 ( -16.289 -14.293 9.955) 23.847 8.547 ( 8.403 0.397 12.575) 15.129 8.891 ( 2.576 6.613 4.038) 8.165 9.320 ( 3.730 6.980 -6.217) 10.064 9.349 ( 2.459 3.354 -9.586) 10.449 9.576 ( 3.295 12.228 3.619) 13.171 9.955 ( 9.955 -0.444 1.948) 10.153 10.147 ( 3.498 -6.770 7.384) 10.611 10.786 ( 8.510 -8.316 -4.948) 12.886 11.269 ( -4.318 6.135 -3.388) 8.231 11.435 ( -10.761 13.558 -10.987) 20.502 11.636 ( -11.552 5.017 1.799) 12.722 12.307 ( -15.374 -14.526 -0.691) 21.162 12.758 ( 18.163 17.067 -0.379) 24.927 13.234 ( 19.716 -11.288 4.198) 23.103 13.482 ( 18.154 0.332 -7.106) 19.498 13.724 ( 17.583 -10.742 12.863) 24.290 14.275 ( -3.723 5.475 0.972) 6.692 14.412 ( -0.345 -4.788 -0.769) 4.861 14.772 ( -21.701 2.404 -0.107) 21.834 15.473 ( -4.332 -9.820 -12.830) 16.728 16.328 ( 4.982 3.096 0.771) 5.916 16.449 ( -9.815 -2.172 4.445) 10.991 16.749 ( 3.185 5.143 7.763) 9.842 16.971 ( -7.755 -4.228 -3.094) 9.359 17.541 ( -2.456 5.844 7.270) 9.646 17.949 ( 12.668 -7.695 -3.366) 15.199 18.000 ( -15.699 11.514 -7.708) 20.940 18.616 ( -2.592 -10.047 -3.575) 10.975 18.894 ( 4.522 -1.624 4.241) 6.409 19.199 ( 5.723 4.220 -1.485) 7.264 21.304 ( -3.818 0.689 -1.437) 4.137 21.468 ( -0.194 0.234 6.275) 6.283 22.099 ( -1.059 -0.782 0.374) 1.368 23.269 ( 16.515 -5.450 -0.422) 17.396 24.606 ( -1.625 0.521 5.950) 6.190 24.910 ( 6.116 2.261 -3.357) 7.334 25.119 ( -3.870 -0.507 -7.001) 8.015 25.547 ( -0.202 -1.581 3.609) 3.945 26.815 ( -2.441 2.258 -7.839) 8.515 26.867 ( 1.327 1.441 6.340) 6.636 28.107 ( -6.119 0.536 8.185) 10.234 28.460 ( 1.212 6.914 -6.582) 9.623 28.611 ( -2.883 -0.486 -7.429) 7.984 28.886 ( 2.647 -6.877 7.246) 10.334 ======================= Grid point 273 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -11.271 -0.372 -3.363) 11.768 2.975 ( -8.019 -2.257 7.239) 11.036 3.192 ( -3.553 4.353 1.467) 5.808 3.366 ( -8.478 -9.219 -1.653) 12.633 3.428 ( -2.468 -2.570 3.455) 4.963 3.697 ( -3.769 11.759 7.197) 14.292 3.882 ( 0.839 2.613 -0.847) 2.872 3.979 ( -9.215 -0.344 3.159) 9.747 4.446 ( -13.979 -10.942 1.955) 17.860 4.655 ( -9.872 2.915 0.652) 10.314 5.120 ( 0.914 15.115 -7.990) 17.121 5.299 ( -4.057 11.925 6.553) 14.199 5.649 ( -6.143 -21.289 3.187) 22.386 5.738 ( -0.724 9.731 -10.490) 14.327 6.227 ( 7.266 -3.077 0.067) 7.891 6.309 ( -5.550 -1.563 0.106) 5.767 6.951 ( -3.745 -14.340 10.497) 18.162 7.203 ( -2.093 -3.733 -6.459) 7.748 7.518 ( 10.464 1.362 -8.057) 13.276 7.532 ( 3.161 -9.987 -4.083) 11.242 7.833 ( 3.523 -1.413 2.920) 4.789 8.015 ( -14.964 -15.510 10.791) 24.102 8.691 ( 10.644 14.062 9.402) 19.986 8.844 ( 3.613 5.349 4.518) 7.878 9.194 ( 1.828 13.285 -6.040) 14.707 9.265 ( 2.603 2.986 -13.232) 13.813 9.528 ( 2.198 4.422 6.938) 8.516 10.092 ( 4.597 0.774 5.959) 7.566 10.342 ( 3.786 -7.368 8.552) 11.907 10.814 ( -15.723 22.131 -11.495) 29.481 11.000 ( 5.196 -2.166 -6.386) 8.513 11.163 ( 2.851 2.184 -8.714) 9.425 11.598 ( -4.803 -5.557 2.205) 7.669 12.239 ( -17.357 -11.280 -0.459) 20.705 12.793 ( 15.634 13.085 -3.048) 20.614 13.546 ( 11.958 -2.508 3.918) 12.831 13.669 ( 17.734 7.228 0.395) 19.155 14.109 ( -6.573 9.531 -0.489) 11.588 14.165 ( 5.513 -7.089 0.441) 8.991 14.498 ( 9.880 -9.104 4.316) 14.111 14.622 ( -5.916 -11.002 3.184) 12.891 15.523 ( -2.582 -15.758 -12.534) 20.300 16.316 ( -1.357 3.493 0.639) 3.802 16.369 ( -8.812 -3.860 3.954) 10.401 16.669 ( -8.719 10.042 5.170) 14.268 16.917 ( -3.170 -1.429 1.734) 3.885 17.486 ( -0.430 3.914 5.250) 6.563 17.560 ( -12.284 14.837 -5.522) 20.038 18.258 ( 10.363 -12.613 -1.039) 16.357 18.696 ( -0.351 -9.150 -9.300) 13.051 18.993 ( 3.876 -1.714 1.535) 4.507 19.189 ( 3.631 6.109 0.514) 7.125 21.236 ( -3.250 1.151 -0.434) 3.475 21.517 ( -0.004 -1.160 10.233) 10.299 22.126 ( 4.882 0.863 -0.454) 4.979 23.549 ( 11.661 -9.399 -6.931) 16.504 24.612 ( -1.307 1.969 9.030) 9.334 24.946 ( 6.695 2.752 -2.352) 7.611 25.049 ( -2.918 -0.280 -4.020) 4.975 25.571 ( -1.716 -2.559 0.914) 3.213 26.677 ( -5.116 4.213 -8.136) 10.494 26.897 ( 2.145 3.244 6.442) 7.525 28.063 ( -4.706 0.521 6.849) 8.326 28.335 ( -1.492 7.530 -1.511) 7.824 28.536 ( -2.382 -0.544 -9.667) 9.971 29.073 ( 4.717 -8.120 5.488) 10.877 ======================= Grid point 274 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -18.864 -8.908 -1.020) 20.886 2.940 ( -5.299 1.151 5.094) 7.440 3.035 ( -12.197 2.799 14.484) 19.141 3.251 ( -9.700 -9.693 -8.737) 16.260 3.392 ( -9.232 10.060 3.703) 14.148 3.684 ( 3.559 0.781 1.610) 3.984 3.859 ( 7.428 3.560 -4.598) 9.433 4.037 ( 5.009 -11.448 0.948) 12.532 4.322 ( -13.184 -5.999 -10.476) 17.876 4.576 ( -5.724 -0.473 17.451) 18.372 4.951 ( -4.675 4.965 -0.553) 6.842 5.145 ( 5.659 9.327 -2.879) 11.283 5.577 ( 10.855 12.310 -12.409) 20.576 5.947 ( -11.165 -29.753 3.634) 31.986 6.149 ( -0.938 8.272 3.918) 9.200 6.468 ( 3.772 -10.249 -0.813) 10.951 7.128 ( -12.713 -12.099 14.937) 23.046 7.201 ( 5.321 -1.887 0.379) 5.658 7.478 ( 4.015 8.202 -7.083) 11.557 7.694 ( 8.125 -6.161 -13.701) 17.079 7.971 ( -14.340 -15.211 7.002) 22.046 8.075 ( 2.832 -4.951 11.167) 12.539 8.577 ( 9.922 24.824 6.148) 27.431 8.849 ( 1.310 7.558 -4.726) 9.009 9.056 ( 1.824 5.675 -2.068) 6.310 9.259 ( 6.861 -3.844 -9.318) 12.193 9.571 ( -1.178 -1.061 11.806) 11.912 9.995 ( -12.442 15.660 -4.316) 20.461 10.350 ( -4.448 6.702 -1.217) 8.135 10.514 ( -1.221 -6.796 5.825) 9.034 10.899 ( 6.552 19.271 -0.507) 20.360 11.341 ( 10.454 -12.068 -14.917) 21.851 11.632 ( -2.513 -7.611 0.231) 8.018 12.128 ( -16.865 -10.180 -1.517) 19.758 12.822 ( 9.052 5.752 -4.487) 11.626 13.682 ( 3.497 -0.607 -2.189) 4.170 13.737 ( 12.196 26.159 6.336) 29.549 13.930 ( -0.059 1.364 1.659) 2.148 14.149 ( -4.264 -1.079 4.147) 6.045 14.708 ( 2.167 -5.891 1.711) 6.506 14.989 ( 13.967 -20.699 1.353) 25.008 15.676 ( 1.959 -16.161 -9.200) 18.699 16.135 ( -17.206 8.120 -1.193) 19.064 16.379 ( -6.974 -8.891 7.862) 13.766 16.440 ( -0.925 6.765 1.607) 7.015 16.857 ( -1.560 9.902 -0.302) 10.029 17.260 ( -8.664 0.392 -1.357) 8.779 17.528 ( 7.155 4.649 5.156) 9.970 18.520 ( 5.620 -10.077 -0.112) 11.539 18.710 ( -0.188 -2.594 -13.948) 14.189 19.051 ( 1.783 -0.285 0.102) 1.809 19.170 ( 1.870 3.785 2.341) 4.827 21.186 ( -1.936 0.886 0.540) 2.197 21.589 ( -2.367 -3.844 9.135) 10.190 22.202 ( 10.998 4.709 -0.674) 11.983 23.736 ( 4.255 -7.943 -8.148) 12.149 24.597 ( -1.901 3.832 8.013) 9.083 24.990 ( -2.213 0.483 1.444) 2.687 25.032 ( 7.451 0.009 -2.210) 7.771 25.572 ( -2.076 -1.874 -1.837) 3.346 26.503 ( -6.022 3.439 -5.852) 9.075 26.903 ( 1.424 4.388 4.903) 6.732 28.031 ( -2.834 1.001 4.062) 5.053 28.246 ( -1.555 3.094 4.429) 5.622 28.457 ( -2.033 -0.140 -10.312) 10.512 29.259 ( 5.579 -5.514 2.110) 8.123 ======================= Grid point 282 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -18.935 -0.000 1.347) 18.983 2.771 ( -4.402 -0.000 -3.327) 5.518 3.183 ( -10.884 -0.000 5.209) 12.066 3.298 ( 17.261 0.000 -7.307) 18.744 3.392 ( -26.206 -0.000 16.939) 31.204 3.841 ( -2.163 -0.000 -1.894) 2.875 3.860 ( -4.192 -0.000 -0.274) 4.201 4.099 ( -10.876 -0.000 -1.575) 10.990 4.251 ( -17.226 -0.000 9.467) 19.656 4.893 ( -16.071 -0.000 13.294) 20.857 4.981 ( 7.830 0.000 -1.577) 7.987 5.414 ( 7.132 0.000 -11.843) 13.824 5.722 ( 3.576 0.000 0.078) 3.576 5.906 ( -0.595 -0.000 -0.425) 0.731 6.213 ( -17.816 -0.000 5.701) 18.705 6.319 ( -1.568 -0.000 1.509) 2.176 6.534 ( -9.653 -0.000 -7.587) 12.278 7.070 ( 2.466 0.000 -22.866) 22.999 7.371 ( 2.212 0.000 5.168) 5.621 7.582 ( 9.179 0.000 3.050) 9.673 7.801 ( -4.105 -0.000 13.263) 13.884 7.861 ( 2.277 0.000 0.882) 2.442 8.761 ( 11.864 0.000 12.749) 17.416 8.923 ( -4.926 -0.000 2.965) 5.749 9.296 ( -0.976 -0.000 -8.994) 9.046 9.417 ( 4.618 0.000 -6.546) 8.011 9.837 ( 8.624 0.000 7.644) 11.524 10.055 ( 11.590 0.000 -4.816) 12.550 10.207 ( 3.969 0.000 6.931) 7.987 10.683 ( -3.986 -0.000 -6.811) 7.891 11.328 ( -7.474 -0.000 1.447) 7.613 11.372 ( -7.288 -0.000 -8.666) 11.323 11.441 ( -6.718 -0.000 -5.163) 8.473 11.947 ( -17.676 -0.000 -1.764) 17.764 13.307 ( 19.417 0.000 9.301) 21.530 13.383 ( 25.302 0.000 -2.216) 25.399 13.691 ( 13.546 0.000 -4.271) 14.203 13.823 ( 4.018 0.000 4.797) 6.258 14.310 ( 2.670 0.000 2.016) 3.346 14.429 ( 4.795 0.000 -1.155) 4.932 14.536 ( -11.984 -0.000 5.412) 13.149 15.267 ( -6.119 -0.000 -12.377) 13.807 16.288 ( -11.416 -0.000 10.008) 15.182 16.380 ( -0.052 -0.000 -9.117) 9.117 16.836 ( -1.593 -0.000 -0.525) 1.678 16.866 ( -6.639 -0.000 9.782) 11.822 17.545 ( -6.997 -0.000 4.004) 8.061 17.872 ( -7.627 -0.000 -7.975) 11.034 18.058 ( 12.524 0.000 -3.091) 12.900 18.470 ( -2.685 -0.000 -4.995) 5.671 18.973 ( 4.125 0.000 5.271) 6.693 19.282 ( 3.761 0.000 -2.310) 4.414 21.256 ( -3.544 -0.000 1.352) 3.794 21.509 ( -0.686 -0.000 10.000) 10.023 22.138 ( 7.262 0.000 -0.321) 7.269 23.407 ( 12.529 0.000 -11.290) 16.866 24.638 ( -0.715 -0.000 11.608) 11.630 24.984 ( 4.940 0.000 -4.031) 6.376 25.058 ( -0.446 -0.000 -4.205) 4.228 25.527 ( -2.989 -0.000 2.515) 3.906 26.737 ( -4.372 -0.000 -9.858) 10.784 26.945 ( 2.833 0.000 7.800) 8.299 28.066 ( -5.911 -0.000 7.660) 9.675 28.488 ( 1.593 0.000 -10.190) 10.314 28.530 ( -3.482 -0.000 -5.963) 6.905 28.914 ( 2.811 0.000 10.078) 10.463 ======================= Grid point 283 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -22.595 4.522 -0.217) 23.044 2.721 ( -18.934 -13.681 -6.988) 24.383 3.086 ( -15.411 2.194 17.290) 23.265 3.134 ( -7.323 -1.584 12.231) 14.343 3.575 ( 12.647 -3.612 -7.313) 15.049 3.700 ( -12.294 5.106 1.603) 13.408 3.815 ( -2.281 -0.850 -3.279) 4.083 3.913 ( -6.028 0.614 -4.858) 7.766 4.101 ( -16.258 -8.212 1.710) 18.294 4.703 ( -5.874 8.914 18.162) 21.067 5.171 ( -4.385 -8.524 -2.452) 9.894 5.394 ( 1.053 8.250 6.971) 10.852 5.548 ( 0.716 16.702 -3.164) 17.014 5.859 ( 0.512 9.928 -10.282) 14.302 6.067 ( -1.222 -16.327 -0.304) 16.375 6.444 ( 1.797 5.359 -0.946) 5.730 6.507 ( -8.569 -25.101 0.790) 26.535 7.063 ( 4.229 -9.231 -16.214) 19.130 7.469 ( 1.966 -4.604 6.630) 8.308 7.683 ( 11.486 5.407 -4.919) 13.614 7.882 ( 0.787 -0.010 11.862) 11.888 7.925 ( 3.041 -1.272 10.664) 11.162 8.839 ( -8.833 -1.469 4.235) 9.905 8.980 ( 11.350 1.455 7.278) 13.562 9.241 ( 0.982 0.158 -9.703) 9.754 9.372 ( 1.567 9.477 -5.656) 11.147 9.812 ( 9.461 20.564 4.868) 23.154 10.185 ( 0.605 3.067 4.026) 5.097 10.327 ( 3.400 -6.563 5.181) 9.027 10.643 ( -12.781 -2.462 -11.064) 17.083 10.960 ( -0.653 3.294 -8.753) 9.375 11.294 ( -6.921 1.598 -2.668) 7.587 11.488 ( 4.627 -2.309 -1.081) 5.283 11.770 ( -19.616 -12.255 -2.979) 23.321 13.296 ( 12.845 25.938 2.124) 29.022 13.708 ( 10.124 2.994 0.209) 10.559 13.849 ( 7.536 -4.531 2.934) 9.270 13.995 ( -3.873 -16.040 2.824) 16.741 14.359 ( 12.018 14.136 2.216) 18.686 14.470 ( 5.861 -3.527 -2.714) 7.359 14.617 ( 9.555 -7.908 7.888) 14.699 15.210 ( -4.502 -14.823 -11.521) 19.306 16.218 ( -9.005 -2.254 8.782) 12.779 16.274 ( -5.574 1.871 -8.415) 10.266 16.678 ( -14.573 8.150 4.863) 17.391 16.873 ( 0.488 -3.459 2.079) 4.065 17.390 ( -13.458 3.729 0.131) 13.965 17.747 ( 6.661 11.167 -0.692) 13.021 18.251 ( 8.220 -8.342 -2.212) 11.919 18.495 ( 0.105 -10.105 -10.512) 14.581 19.049 ( 2.620 0.163 5.125) 5.758 19.290 ( 2.422 3.271 -2.011) 4.540 21.222 ( -2.295 1.163 4.301) 5.012 21.539 ( -3.382 -0.364 10.299) 10.846 22.291 ( 15.711 1.920 0.590) 15.839 23.501 ( 7.317 -6.736 -20.885) 23.132 24.698 ( -0.150 2.354 16.590) 16.757 25.010 ( 0.433 0.265 -4.111) 4.143 25.049 ( 4.395 1.441 -0.797) 4.694 25.506 ( -3.255 -2.288 1.073) 4.121 26.591 ( -6.656 2.367 -10.117) 12.339 27.012 ( 2.714 2.824 8.194) 9.082 28.031 ( -4.908 -0.534 7.076) 8.628 28.401 ( -0.682 6.891 -4.813) 8.433 28.451 ( -2.182 -0.153 -9.012) 9.274 29.071 ( 5.078 -7.159 7.581) 11.598 ======================= Grid point 284 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -24.127 -5.126 5.821) 25.343 2.526 ( -28.857 -14.666 0.108) 32.370 3.032 ( -3.417 0.864 11.335) 11.870 3.162 ( -2.531 -2.710 7.313) 8.199 3.335 ( -17.841 9.416 4.581) 20.687 3.649 ( -7.756 -3.345 -5.889) 10.297 3.780 ( -2.432 -8.471 -11.564) 14.539 4.012 ( 5.319 -12.010 1.603) 13.232 4.039 ( -3.386 -6.273 -8.096) 10.787 4.702 ( 0.996 4.385 23.618) 24.043 4.984 ( -5.634 8.482 -0.087) 10.183 5.367 ( 0.270 9.066 -3.932) 9.885 5.494 ( -1.268 -13.704 -0.265) 13.765 5.826 ( 13.099 9.314 -9.743) 18.796 6.218 ( -0.064 -4.806 2.278) 5.319 6.422 ( -2.078 -7.933 -3.029) 8.742 6.700 ( -7.334 -18.013 6.084) 20.378 7.214 ( 7.850 -7.235 -6.138) 12.314 7.582 ( -0.832 -5.392 2.900) 6.178 7.706 ( 11.751 12.134 -5.678) 17.820 7.886 ( -1.304 7.228 8.199) 11.007 8.106 ( 6.274 -8.546 11.352) 15.532 8.785 ( -6.576 -2.616 4.355) 8.310 9.076 ( 6.385 11.668 0.137) 13.302 9.155 ( -0.789 13.170 -2.190) 13.374 9.266 ( 7.032 -1.531 -6.121) 9.448 9.714 ( 4.226 13.686 8.033) 16.423 9.969 ( -15.283 16.083 -10.017) 24.343 10.357 ( -3.855 3.772 2.198) 5.824 10.426 ( -4.360 -4.800 4.912) 8.135 11.127 ( 4.248 1.206 -8.958) 9.987 11.247 ( 5.609 -14.348 -2.248) 15.568 11.538 ( -3.316 -4.658 -2.542) 6.257 11.668 ( -12.719 -10.946 -3.443) 17.130 13.118 ( 4.214 18.873 0.867) 19.357 13.761 ( 5.460 4.620 -0.107) 7.153 13.924 ( -0.397 1.377 -3.203) 3.509 14.082 ( -1.646 3.151 8.349) 9.075 14.333 ( 15.625 15.940 11.019) 24.892 14.573 ( -2.136 -10.687 -4.125) 11.653 15.003 ( 15.459 -12.402 1.023) 19.845 15.437 ( 6.525 -22.868 -7.882) 25.053 15.969 ( -19.427 9.697 -4.238) 22.122 16.238 ( -5.694 -5.131 9.790) 12.434 16.456 ( -5.299 1.172 -1.500) 5.630 16.917 ( -0.018 0.931 0.505) 1.059 17.157 ( -8.696 2.634 -0.657) 9.110 17.769 ( 11.193 7.730 4.032) 14.188 18.430 ( -0.400 -12.046 -7.146) 14.012 18.567 ( 3.452 -5.862 -11.180) 13.087 19.087 ( 0.437 1.515 4.613) 4.875 19.255 ( 1.171 4.498 -1.285) 4.822 21.208 ( -0.664 2.563 6.987) 7.472 21.533 ( -5.436 -2.028 6.752) 8.902 22.491 ( 19.022 6.981 -0.895) 20.282 23.592 ( 4.919 -11.917 -19.656) 23.507 24.702 ( -2.851 7.373 14.573) 16.579 24.966 ( -3.023 0.983 0.361) 3.200 25.133 ( 7.100 -0.460 -0.123) 7.116 25.499 ( -2.539 -2.489 -1.049) 3.707 26.413 ( -6.937 1.656 -6.222) 9.464 27.019 ( 0.588 5.983 6.674) 8.982 28.015 ( -3.512 -0.508 5.558) 6.594 28.294 ( -0.964 4.833 0.780) 4.990 28.381 ( -0.976 -0.157 -8.690) 8.746 29.275 ( 6.748 -6.497 1.147) 9.437 ======================= Grid point 293 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -26.778 -0.000 8.750) 28.171 2.188 ( -31.061 -0.000 -5.561) 31.554 3.053 ( -9.578 -0.000 24.740) 26.530 3.125 ( 0.131 0.000 2.153) 2.157 3.518 ( -5.364 -0.000 -14.473) 15.435 3.534 ( -14.520 -0.000 -9.194) 17.186 3.740 ( -9.009 -0.000 -5.576) 10.595 3.749 ( -18.944 -0.000 21.391) 28.573 3.961 ( 5.826 0.000 -7.739) 9.686 4.800 ( -6.375 -0.000 28.921) 29.615 4.985 ( -8.031 -0.000 -7.917) 11.277 5.667 ( -14.122 -0.000 -0.957) 14.155 5.678 ( 1.038 0.000 -4.815) 4.926 5.682 ( 6.390 0.000 10.693) 12.457 6.018 ( 4.647 0.000 1.562) 4.903 6.057 ( 2.280 0.000 -23.179) 23.291 6.764 ( 16.729 0.000 3.817) 17.159 6.979 ( 9.476 0.000 -16.524) 19.048 7.504 ( 1.280 0.000 6.245) 6.374 7.891 ( 15.444 0.000 -4.193) 16.003 8.021 ( 3.202 0.000 10.649) 11.120 8.036 ( 7.537 0.000 20.953) 22.267 8.655 ( -15.937 -0.000 4.956) 16.690 9.175 ( 9.833 0.000 3.133) 10.320 9.212 ( 1.811 0.000 -7.109) 7.336 9.399 ( -1.518 -0.000 -5.594) 5.796 10.122 ( 4.173 0.000 2.725) 4.984 10.181 ( -7.964 -0.000 -0.860) 8.011 10.396 ( -8.331 -0.000 -4.369) 9.407 10.448 ( 13.881 0.000 3.307) 14.270 10.871 ( -14.014 -0.000 0.608) 14.027 11.030 ( -8.891 -0.000 -15.425) 17.804 11.451 ( -12.064 -0.000 -0.994) 12.105 11.614 ( 8.297 0.000 -1.930) 8.518 13.505 ( -14.291 -0.000 6.346) 15.636 13.777 ( -1.818 -0.000 3.404) 3.859 13.965 ( 12.337 0.000 3.955) 12.956 14.018 ( 16.955 0.000 0.890) 16.978 14.590 ( 8.806 0.000 -10.884) 14.000 14.615 ( 12.561 0.000 2.315) 12.773 14.717 ( 7.390 0.000 9.881) 12.338 14.988 ( 2.256 0.000 -6.283) 6.676 16.142 ( -8.718 -0.000 9.163) 12.647 16.152 ( -6.482 -0.000 -9.934) 11.862 16.507 ( -17.556 -0.000 2.210) 17.695 16.872 ( 1.124 0.000 1.684) 2.025 17.242 ( -12.356 -0.000 1.537) 12.451 17.941 ( 9.886 0.000 0.182) 9.887 18.182 ( -2.664 -0.000 -12.132) 12.421 18.454 ( 8.626 0.000 -5.939) 10.473 19.108 ( 0.879 0.000 6.467) 6.527 19.323 ( 1.469 0.000 -3.332) 3.642 21.249 ( 0.105 0.000 9.055) 9.055 21.519 ( -6.232 -0.000 8.564) 10.591 22.597 ( 23.574 0.000 3.022) 23.767 23.389 ( 3.525 0.000 -29.694) 29.902 24.820 ( 0.702 0.000 18.957) 18.970 24.975 ( -3.543 -0.000 -4.812) 5.975 25.121 ( 5.186 0.000 2.035) 5.571 25.458 ( -1.890 -0.000 1.119) 2.197 26.447 ( -8.248 -0.000 -9.788) 12.800 27.110 ( 1.205 0.000 9.171) 9.249 27.996 ( -4.475 -0.000 6.968) 8.281 28.377 ( -1.076 -0.000 -10.179) 10.236 28.418 ( 0.302 0.000 -6.138) 6.145 29.140 ( 6.017 0.000 8.298) 10.250 ======================= Grid point 294 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -24.780 -0.982 13.203) 28.096 1.949 ( -27.171 -14.778 10.542) 32.677 3.037 ( -6.308 2.716 3.396) 7.662 3.081 ( -8.043 -2.057 2.261) 8.604 3.216 ( -16.484 7.446 2.859) 18.312 3.390 ( -7.888 -8.813 -11.398) 16.426 3.642 ( -4.302 -2.652 0.258) 5.060 3.725 ( -10.418 -14.823 9.070) 20.261 3.971 ( -5.186 -4.987 -4.141) 8.301 4.823 ( -10.673 -5.680 -6.846) 13.894 4.897 ( -2.029 1.256 28.095) 28.196 5.367 ( 1.715 12.247 -7.270) 14.345 5.646 ( 6.098 5.160 -1.594) 8.146 5.917 ( -9.146 -17.594 -12.946) 23.681 6.097 ( 14.314 1.827 -0.184) 14.431 6.168 ( 5.766 -6.912 0.787) 9.036 6.878 ( 15.845 10.226 -3.687) 19.215 7.206 ( 12.891 -10.533 -5.206) 17.442 7.539 ( -1.188 -1.571 -0.063) 1.971 8.037 ( 9.401 11.760 3.696) 15.503 8.079 ( 3.085 9.590 7.866) 12.781 8.206 ( 10.565 2.113 13.666) 17.403 8.614 ( -4.700 -13.280 10.512) 17.578 9.196 ( 3.558 2.918 -2.640) 5.305 9.243 ( -3.126 6.393 -4.455) 8.396 9.343 ( 4.883 -0.475 0.262) 4.913 9.891 ( -16.221 15.565 -10.159) 24.670 10.015 ( -0.253 12.392 -2.734) 12.692 10.345 ( -5.063 -0.685 8.465) 9.887 10.402 ( -0.931 10.221 2.834) 10.647 10.901 ( -17.639 -14.717 -6.483) 23.869 11.034 ( 9.355 -20.805 -5.699) 23.512 11.353 ( -3.554 -1.875 0.808) 4.099 11.692 ( 7.350 2.224 -4.179) 8.742 13.281 ( -9.499 8.460 6.576) 14.320 13.796 ( -0.798 -0.902 2.916) 3.155 14.079 ( 1.467 4.799 -3.394) 6.058 14.165 ( 4.349 0.439 10.068) 10.976 14.420 ( 3.338 8.934 -10.248) 13.999 14.799 ( 12.317 11.363 11.300) 20.212 15.071 ( 16.964 -14.786 -0.558) 22.510 15.218 ( 11.039 -20.408 -4.493) 23.633 15.833 ( -18.654 14.202 -3.238) 23.668 16.132 ( -7.043 -7.935 3.179) 11.076 16.341 ( -6.686 -1.649 0.162) 6.888 16.909 ( 0.202 -1.834 0.759) 1.995 17.074 ( -7.948 2.380 0.914) 8.346 18.012 ( 4.521 2.520 -4.523) 6.873 18.144 ( -1.855 -8.976 -13.615) 16.413 18.566 ( 7.111 -2.353 -4.753) 8.871 19.133 ( -1.382 1.351 7.028) 7.289 19.297 ( 0.326 2.742 -4.453) 5.239 21.307 ( 1.904 3.308 11.523) 12.139 21.465 ( -6.176 -0.929 5.424) 8.272 22.879 ( 20.740 10.983 -1.972) 23.551 23.399 ( 9.356 -14.830 -21.693) 27.894 24.809 ( -6.305 6.501 5.196) 10.440 24.926 ( -4.211 0.027 6.942) 8.119 25.215 ( 5.122 -0.499 2.072) 5.548 25.452 ( -0.581 -0.711 0.204) 0.941 26.296 ( -6.496 -0.534 -3.337) 7.323 27.118 ( -2.702 4.505 7.968) 9.544 27.984 ( -3.599 -1.090 6.570) 7.569 28.303 ( -0.928 2.077 -10.162) 10.414 28.384 ( 3.182 2.582 -1.881) 4.509 29.296 ( 6.248 -4.956 0.359) 7.983 ======================= Grid point 304 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -18.758 -0.000 22.031) 28.935 1.621 ( -18.482 -0.000 27.191) 32.877 2.864 ( -9.311 -0.000 -26.596) 28.179 2.958 ( -10.017 -0.000 -8.578) 13.188 3.123 ( -6.929 -0.000 -1.906) 7.186 3.151 ( -16.892 -0.000 27.448) 32.229 3.490 ( -10.030 -0.000 12.825) 16.281 3.638 ( 1.766 0.000 -0.716) 1.905 3.761 ( -15.285 -0.000 -1.161) 15.329 4.561 ( -9.410 -0.000 -13.634) 16.566 5.049 ( -0.828 -0.000 28.236) 28.248 5.467 ( -8.932 -0.000 0.355) 8.939 5.560 ( 8.585 0.000 -11.300) 14.191 5.854 ( 11.895 0.000 -16.957) 20.713 6.247 ( 10.508 0.000 0.351) 10.514 6.289 ( 8.904 0.000 0.452) 8.915 7.164 ( 9.590 0.000 -2.513) 9.914 7.303 ( 22.929 0.000 -9.641) 24.873 7.488 ( -3.375 -0.000 -3.164) 4.626 8.093 ( -15.347 -0.000 9.408) 18.002 8.260 ( 3.084 0.000 9.777) 10.252 8.519 ( 21.565 0.000 -2.656) 21.728 8.709 ( 20.695 0.000 18.743) 27.921 9.177 ( -9.360 -0.000 0.531) 9.375 9.270 ( 5.010 0.000 0.022) 5.010 9.383 ( 3.425 0.000 -1.340) 3.678 9.795 ( -14.138 -0.000 -4.493) 14.835 9.889 ( -10.827 -0.000 -10.568) 15.130 10.339 ( -4.897 -0.000 10.705) 11.772 10.416 ( -12.260 -0.000 -6.778) 14.009 10.659 ( -1.955 -0.000 2.809) 3.422 10.977 ( 11.199 0.000 -4.241) 11.975 11.330 ( 0.364 0.000 3.494) 3.512 11.768 ( 5.189 0.000 -6.021) 7.948 13.218 ( -10.032 -0.000 9.663) 13.929 13.818 ( -2.111 -0.000 6.038) 6.396 13.930 ( -8.905 -0.000 -11.011) 14.161 14.218 ( 2.941 0.000 0.997) 3.105 14.825 ( 16.367 0.000 -0.148) 16.368 14.903 ( 4.193 0.000 10.191) 11.020 15.194 ( 20.203 0.000 0.789) 20.218 15.295 ( 12.942 0.000 -1.812) 13.068 15.757 ( -19.824 -0.000 2.656) 20.001 15.832 ( -9.647 -0.000 -8.587) 12.915 16.285 ( -2.953 -0.000 4.162) 5.103 16.897 ( -1.035 -0.000 -0.268) 1.069 17.004 ( -4.952 -0.000 1.544) 5.187 17.672 ( -21.093 -0.000 -27.472) 34.635 18.266 ( 11.113 0.000 2.463) 11.383 18.618 ( 5.139 0.000 -4.282) 6.689 19.148 ( -3.706 -0.000 8.342) 9.128 19.289 ( 0.102 0.000 -6.128) 6.129 21.386 ( -7.051 -0.000 4.984) 8.634 21.430 ( 3.138 0.000 5.919) 6.699 23.261 ( 13.304 0.000 -17.049) 21.625 23.373 ( 26.602 0.000 3.424) 26.822 24.691 ( -12.799 -0.000 -2.419) 13.025 24.934 ( -6.937 -0.000 8.102) 10.666 25.280 ( 2.508 0.000 1.906) 3.150 25.447 ( 0.146 0.000 -0.816) 0.829 26.244 ( 1.599 0.000 6.115) 6.321 27.114 ( -8.153 -0.000 6.882) 10.670 27.967 ( -2.840 -0.000 6.996) 7.551 28.258 ( 0.296 0.000 -10.793) 10.797 28.466 ( 8.015 0.000 -2.822) 8.497 29.306 ( -0.132 -0.000 -4.530) 4.532 =================== 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 3/33000 10.0 1297.324 1019.092 568.135 0.000 178.060 -0.000 3/33000 20.0 393.512 398.073 454.311 -0.000 0.380 -0.000 3/33000 30.0 177.872 191.116 222.141 -0.000 -2.957 -0.000 3/33000 40.0 106.827 115.081 136.147 -0.000 -2.010 -0.000 3/33000 50.0 74.357 79.511 94.172 -0.000 -1.055 -0.000 3/33000 60.0 56.269 59.664 70.284 -0.000 -0.622 -0.000 3/33000 70.0 44.846 47.254 55.231 -0.000 -0.446 -0.000 3/33000 80.0 37.025 38.869 45.042 -0.000 -0.370 -0.000 3/33000 90.0 31.369 32.872 37.768 -0.000 -0.332 -0.000 3/33000 100.0 27.109 28.394 32.357 -0.000 -0.307 -0.000 3/33000 110.0 23.801 24.937 28.199 -0.000 -0.286 -0.000 3/33000 120.0 21.168 22.195 24.920 -0.000 -0.267 -0.000 3/33000 130.0 19.032 19.974 22.279 -0.000 -0.250 -0.000 3/33000 140.0 17.269 18.142 20.113 -0.000 -0.235 -0.000 3/33000 150.0 15.794 16.609 18.311 -0.000 -0.220 -0.000 3/33000 160.0 14.545 15.310 16.793 -0.000 -0.207 -0.000 3/33000 170.0 13.475 14.196 15.498 -0.000 -0.194 -0.000 3/33000 180.0 12.550 13.232 14.384 -0.000 -0.183 -0.000 3/33000 190.0 11.743 12.390 13.416 -0.000 -0.173 -0.000 3/33000 200.0 11.034 11.650 12.569 -0.000 -0.163 -0.000 3/33000 210.0 10.407 10.994 11.822 -0.000 -0.155 -0.000 3/33000 220.0 9.848 10.408 11.159 -0.000 -0.147 -0.000 3/33000 230.0 9.348 9.883 10.568 -0.000 -0.139 -0.000 3/33000 240.0 8.897 9.410 10.037 -0.000 -0.133 -0.000 3/33000 250.0 8.489 8.981 9.557 -0.000 -0.126 -0.000 3/33000 260.0 8.118 8.590 9.123 -0.000 -0.121 -0.000 3/33000 270.0 7.779 8.233 8.727 -0.000 -0.115 -0.000 3/33000 280.0 7.468 7.906 8.365 -0.000 -0.110 -0.000 3/33000 290.0 7.182 7.604 8.033 -0.000 -0.106 -0.000 3/33000 300.0 6.918 7.325 7.728 -0.000 -0.102 -0.000 3/33000 310.0 6.673 7.067 7.445 -0.000 -0.098 -0.000 3/33000 320.0 6.446 6.826 7.183 -0.000 -0.094 -0.000 3/33000 330.0 6.234 6.603 6.940 -0.000 -0.090 -0.000 3/33000 340.0 6.036 6.393 6.714 -0.000 -0.087 -0.000 3/33000 350.0 5.851 6.198 6.502 -0.000 -0.084 -0.000 3/33000 360.0 5.678 6.014 6.304 -0.000 -0.081 -0.000 3/33000 370.0 5.514 5.841 6.117 -0.000 -0.078 -0.000 3/33000 380.0 5.361 5.678 5.943 -0.000 -0.076 -0.000 3/33000 390.0 5.215 5.524 5.778 -0.000 -0.073 -0.000 3/33000 400.0 5.078 5.379 5.622 -0.000 -0.071 -0.000 3/33000 410.0 4.948 5.241 5.475 -0.000 -0.069 -0.000 3/33000 420.0 4.825 5.110 5.336 -0.000 -0.067 -0.000 3/33000 430.0 4.708 4.986 5.204 -0.000 -0.065 -0.000 3/33000 440.0 4.596 4.868 5.078 -0.000 -0.063 -0.000 3/33000 450.0 4.490 4.756 4.959 -0.000 -0.061 -0.000 3/33000 460.0 4.389 4.648 4.845 -0.000 -0.060 -0.000 3/33000 470.0 4.293 4.546 4.737 -0.000 -0.058 -0.000 3/33000 480.0 4.200 4.448 4.633 -0.000 -0.057 -0.000 3/33000 490.0 4.112 4.354 4.534 -0.000 -0.055 -0.000 3/33000 500.0 4.027 4.265 4.439 -0.000 -0.054 -0.000 3/33000 510.0 3.946 4.179 4.349 -0.000 -0.053 -0.000 3/33000 520.0 3.868 4.096 4.262 -0.000 -0.051 -0.000 3/33000 530.0 3.794 4.017 4.178 -0.000 -0.050 -0.000 3/33000 540.0 3.722 3.941 4.098 -0.000 -0.049 -0.000 3/33000 550.0 3.653 3.867 4.021 -0.000 -0.048 -0.000 3/33000 560.0 3.586 3.797 3.947 -0.000 -0.047 -0.000 3/33000 570.0 3.522 3.729 3.875 -0.000 -0.046 -0.000 3/33000 580.0 3.460 3.663 3.806 -0.000 -0.045 -0.000 3/33000 590.0 3.400 3.600 3.740 -0.000 -0.044 -0.000 3/33000 600.0 3.343 3.539 3.676 -0.000 -0.043 -0.000 3/33000 610.0 3.287 3.480 3.614 -0.000 -0.042 -0.000 3/33000 620.0 3.233 3.423 3.554 -0.000 -0.042 -0.000 3/33000 630.0 3.181 3.368 3.497 -0.000 -0.041 -0.000 3/33000 640.0 3.131 3.314 3.441 -0.000 -0.040 -0.000 3/33000 650.0 3.082 3.263 3.387 -0.000 -0.039 -0.000 3/33000 660.0 3.035 3.212 3.334 -0.000 -0.039 -0.000 3/33000 670.0 2.989 3.164 3.283 -0.000 -0.038 -0.000 3/33000 680.0 2.945 3.117 3.234 -0.000 -0.037 -0.000 3/33000 690.0 2.901 3.071 3.187 -0.000 -0.037 -0.000 3/33000 700.0 2.860 3.027 3.140 -0.000 -0.036 -0.000 3/33000 710.0 2.819 2.984 3.095 -0.000 -0.035 -0.000 3/33000 720.0 2.779 2.942 3.052 -0.000 -0.035 -0.000 3/33000 730.0 2.741 2.901 3.009 -0.000 -0.034 -0.000 3/33000 740.0 2.704 2.861 2.968 -0.000 -0.034 -0.000 3/33000 750.0 2.667 2.823 2.928 -0.000 -0.033 -0.000 3/33000 760.0 2.632 2.785 2.889 -0.000 -0.033 -0.000 3/33000 770.0 2.597 2.749 2.851 -0.000 -0.032 -0.000 3/33000 780.0 2.564 2.713 2.814 -0.000 -0.032 -0.000 3/33000 790.0 2.531 2.679 2.777 -0.000 -0.031 -0.000 3/33000 800.0 2.499 2.645 2.742 -0.000 -0.031 -0.000 3/33000 810.0 2.468 2.612 2.708 -0.000 -0.030 -0.000 3/33000 820.0 2.438 2.580 2.675 -0.000 -0.030 -0.000 3/33000 830.0 2.409 2.549 2.642 -0.000 -0.030 -0.000 3/33000 840.0 2.380 2.518 2.610 -0.000 -0.029 -0.000 3/33000 850.0 2.352 2.488 2.579 -0.000 -0.029 -0.000 3/33000 860.0 2.324 2.459 2.549 -0.000 -0.028 -0.000 3/33000 870.0 2.297 2.431 2.519 -0.000 -0.028 -0.000 3/33000 880.0 2.271 2.403 2.491 -0.000 -0.028 -0.000 3/33000 890.0 2.245 2.376 2.462 -0.000 -0.027 -0.000 3/33000 900.0 2.220 2.349 2.435 -0.000 -0.027 -0.000 3/33000 910.0 2.196 2.323 2.408 -0.000 -0.027 -0.000 3/33000 920.0 2.172 2.298 2.381 -0.000 -0.026 -0.000 3/33000 930.0 2.149 2.273 2.356 -0.000 -0.026 -0.000 3/33000 940.0 2.126 2.249 2.330 -0.000 -0.026 -0.000 3/33000 950.0 2.103 2.225 2.306 -0.000 -0.025 -0.000 3/33000 960.0 2.081 2.202 2.282 -0.000 -0.025 -0.000 3/33000 970.0 2.060 2.179 2.258 -0.000 -0.025 -0.000 3/33000 980.0 2.039 2.157 2.235 -0.000 -0.025 -0.000 3/33000 990.0 2.018 2.135 2.212 -0.000 -0.024 -0.000 3/33000 1000.0 1.998 2.114 2.190 -0.000 -0.024 -0.000 3/33000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|