----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:09:19]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.391875440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): *1 O 0.57405371202945 0.25000000000000 0.92211071148129 15.999 2 O 0.42594628797055 0.75000000000000 0.07788928851871 15.999 3 O 0.07405371202945 0.25000000000000 0.57788928851871 15.999 4 O 0.92594628797055 0.75000000000000 0.42211071148129 15.999 *5 O 0.48646608850516 0.25000000000000 0.28376616974181 15.999 6 O 0.51353391149484 0.75000000000000 0.71623383025819 15.999 7 O 0.98646608850516 0.25000000000000 0.21623383025819 15.999 8 O 0.01353391149484 0.75000000000000 0.78376616974181 15.999 *9 O 0.87337799107673 0.25000000000000 0.98074335577050 15.999 10 O 0.12662200892327 0.75000000000000 0.01925664422949 15.999 11 O 0.37337799107673 0.25000000000000 0.51925664422950 15.999 12 O 0.62662200892327 0.75000000000000 0.48074335577050 15.999 *13 O 0.71201539738597 0.75000000000000 0.17572811589812 15.999 14 O 0.28798460261403 0.25000000000000 0.82427188410188 15.999 15 O 0.21201539738597 0.75000000000000 0.32427188410188 15.999 16 O 0.78798460261403 0.25000000000000 0.67572811589812 15.999 *17 Sr 0.25216333072873 0.75000000000000 0.64968897891416 87.620 18 Sr 0.74783666927127 0.25000000000000 0.35031102108584 87.620 19 Sr 0.75216333072873 0.75000000000000 0.85031102108584 87.620 20 Sr 0.24783666927126 0.25000000000000 0.14968897891416 87.620 *21 Y 0.57633125157662 0.25000000000000 0.61084957485779 88.906 22 Y 0.42366874842338 0.75000000000000 0.38915042514221 88.906 23 Y 0.07633125157662 0.25000000000000 0.88915042514221 88.906 24 Y 0.92366874842338 0.75000000000000 0.11084957485779 88.906 *25 Y 0.92160177734843 0.75000000000000 0.61153088293978 88.906 26 Y 0.07839822265157 0.25000000000000 0.38846911706022 88.906 27 Y 0.42160177734843 0.75000000000000 0.88846911706022 88.906 28 Y 0.57839822265157 0.25000000000000 0.11153088293978 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.391875440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): *1 O 0.57405371202945 0.25000000000000 0.92211071148129 15.999 > 1 2 O 0.42594628797055 0.75000000000000 0.07788928851871 15.999 > 2 3 O 0.07405371202945 0.25000000000000 0.57788928851871 15.999 > 3 4 O 0.92594628797055 0.75000000000000 0.42211071148129 15.999 > 4 *5 O 0.48646608850516 0.25000000000000 0.28376616974181 15.999 > 5 6 O 0.51353391149484 0.75000000000000 0.71623383025819 15.999 > 6 7 O 0.98646608850516 0.25000000000000 0.21623383025819 15.999 > 7 8 O 0.01353391149484 0.75000000000000 0.78376616974181 15.999 > 8 *9 O 0.87337799107673 0.25000000000000 0.98074335577050 15.999 > 9 10 O 0.12662200892327 0.75000000000000 0.01925664422949 15.999 > 10 11 O 0.37337799107673 0.25000000000000 0.51925664422950 15.999 > 11 12 O 0.62662200892327 0.75000000000000 0.48074335577050 15.999 > 12 *13 O 0.71201539738597 0.75000000000000 0.17572811589812 15.999 > 13 14 O 0.28798460261403 0.25000000000000 0.82427188410188 15.999 > 14 15 O 0.21201539738597 0.75000000000000 0.32427188410188 15.999 > 15 16 O 0.78798460261403 0.25000000000000 0.67572811589812 15.999 > 16 *17 Sr 0.25216333072873 0.75000000000000 0.64968897891416 87.620 > 17 18 Sr 0.74783666927127 0.25000000000000 0.35031102108584 87.620 > 18 19 Sr 0.75216333072873 0.75000000000000 0.85031102108584 87.620 > 19 20 Sr 0.24783666927126 0.25000000000000 0.14968897891416 87.620 > 20 *21 Y 0.57633125157662 0.25000000000000 0.61084957485779 88.906 > 21 22 Y 0.42366874842338 0.75000000000000 0.38915042514221 88.906 > 22 23 Y 0.07633125157662 0.25000000000000 0.88915042514221 88.906 > 23 24 Y 0.92366874842338 0.75000000000000 0.11084957485779 88.906 > 24 *25 Y 0.92160177734843 0.75000000000000 0.61153088293978 88.906 > 25 26 Y 0.07839822265157 0.25000000000000 0.38846911706022 88.906 > 26 27 Y 0.42160177734843 0.75000000000000 0.88846911706022 88.906 > 27 28 Y 0.57839822265157 0.25000000000000 0.11153088293978 88.906 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.175626320000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): *1 O 0.57405371202945 0.08333333333333 0.92211071148129 15.999 > 1 2 O 0.57405371202945 0.41666666666667 0.92211071148129 15.999 > 1 3 O 0.57405371202945 0.75000000000000 0.92211071148129 15.999 > 1 4 O 0.42594628797055 0.25000000000000 0.07788928851871 15.999 > 2 5 O 0.42594628797055 0.58333333333333 0.07788928851871 15.999 > 2 6 O 0.42594628797055 0.91666666666667 0.07788928851871 15.999 > 2 7 O 0.07405371202945 0.08333333333333 0.57788928851871 15.999 > 3 8 O 0.07405371202945 0.41666666666667 0.57788928851871 15.999 > 3 9 O 0.07405371202945 0.75000000000000 0.57788928851871 15.999 > 3 10 O 0.92594628797055 0.25000000000000 0.42211071148129 15.999 > 4 11 O 0.92594628797055 0.58333333333333 0.42211071148129 15.999 > 4 12 O 0.92594628797055 0.91666666666667 0.42211071148129 15.999 > 4 *13 O 0.48646608850516 0.08333333333333 0.28376616974181 15.999 > 5 14 O 0.48646608850516 0.41666666666667 0.28376616974181 15.999 > 5 15 O 0.48646608850516 0.75000000000000 0.28376616974181 15.999 > 5 16 O 0.51353391149484 0.25000000000000 0.71623383025819 15.999 > 6 17 O 0.51353391149484 0.58333333333333 0.71623383025819 15.999 > 6 18 O 0.51353391149484 0.91666666666667 0.71623383025819 15.999 > 6 19 O 0.98646608850516 0.08333333333333 0.21623383025819 15.999 > 7 20 O 0.98646608850516 0.41666666666667 0.21623383025819 15.999 > 7 21 O 0.98646608850516 0.75000000000000 0.21623383025819 15.999 > 7 22 O 0.01353391149484 0.25000000000000 0.78376616974181 15.999 > 8 23 O 0.01353391149484 0.58333333333333 0.78376616974181 15.999 > 8 24 O 0.01353391149484 0.91666666666667 0.78376616974181 15.999 > 8 *25 O 0.87337799107673 0.08333333333333 0.98074335577050 15.999 > 9 26 O 0.87337799107673 0.41666666666667 0.98074335577050 15.999 > 9 27 O 0.87337799107673 0.75000000000000 0.98074335577050 15.999 > 9 28 O 0.12662200892327 0.25000000000000 0.01925664422949 15.999 > 10 29 O 0.12662200892327 0.58333333333333 0.01925664422949 15.999 > 10 30 O 0.12662200892327 0.91666666666667 0.01925664422949 15.999 > 10 31 O 0.37337799107673 0.08333333333333 0.51925664422950 15.999 > 11 32 O 0.37337799107673 0.41666666666667 0.51925664422950 15.999 > 11 33 O 0.37337799107673 0.75000000000000 0.51925664422950 15.999 > 11 34 O 0.62662200892327 0.25000000000000 0.48074335577050 15.999 > 12 35 O 0.62662200892327 0.58333333333333 0.48074335577050 15.999 > 12 36 O 0.62662200892327 0.91666666666667 0.48074335577050 15.999 > 12 *37 O 0.71201539738597 0.25000000000000 0.17572811589812 15.999 > 13 38 O 0.71201539738597 0.58333333333333 0.17572811589812 15.999 > 13 39 O 0.71201539738597 0.91666666666667 0.17572811589812 15.999 > 13 40 O 0.28798460261403 0.08333333333333 0.82427188410188 15.999 > 14 41 O 0.28798460261403 0.41666666666667 0.82427188410188 15.999 > 14 42 O 0.28798460261403 0.75000000000000 0.82427188410188 15.999 > 14 43 O 0.21201539738597 0.25000000000000 0.32427188410188 15.999 > 15 44 O 0.21201539738597 0.58333333333333 0.32427188410188 15.999 > 15 45 O 0.21201539738597 0.91666666666667 0.32427188410188 15.999 > 15 46 O 0.78798460261403 0.08333333333333 0.67572811589812 15.999 > 16 47 O 0.78798460261403 0.41666666666667 0.67572811589812 15.999 > 16 48 O 0.78798460261403 0.75000000000000 0.67572811589812 15.999 > 16 *49 Sr 0.25216333072873 0.25000000000000 0.64968897891416 87.620 > 17 50 Sr 0.25216333072873 0.58333333333333 0.64968897891416 87.620 > 17 51 Sr 0.25216333072873 0.91666666666667 0.64968897891416 87.620 > 17 52 Sr 0.74783666927127 0.08333333333333 0.35031102108584 87.620 > 18 53 Sr 0.74783666927127 0.41666666666667 0.35031102108584 87.620 > 18 54 Sr 0.74783666927127 0.75000000000000 0.35031102108584 87.620 > 18 55 Sr 0.75216333072873 0.25000000000000 0.85031102108584 87.620 > 19 56 Sr 0.75216333072873 0.58333333333333 0.85031102108584 87.620 > 19 57 Sr 0.75216333072873 0.91666666666667 0.85031102108584 87.620 > 19 58 Sr 0.24783666927126 0.08333333333333 0.14968897891416 87.620 > 20 59 Sr 0.24783666927126 0.41666666666667 0.14968897891416 87.620 > 20 60 Sr 0.24783666927126 0.75000000000000 0.14968897891416 87.620 > 20 *61 Y 0.57633125157662 0.08333333333333 0.61084957485779 88.906 > 21 62 Y 0.57633125157662 0.41666666666667 0.61084957485779 88.906 > 21 63 Y 0.57633125157662 0.75000000000000 0.61084957485779 88.906 > 21 64 Y 0.42366874842338 0.25000000000000 0.38915042514221 88.906 > 22 65 Y 0.42366874842338 0.58333333333333 0.38915042514221 88.906 > 22 66 Y 0.42366874842338 0.91666666666667 0.38915042514221 88.906 > 22 67 Y 0.07633125157662 0.08333333333333 0.88915042514221 88.906 > 23 68 Y 0.07633125157662 0.41666666666667 0.88915042514221 88.906 > 23 69 Y 0.07633125157662 0.75000000000000 0.88915042514221 88.906 > 23 70 Y 0.92366874842338 0.25000000000000 0.11084957485779 88.906 > 24 71 Y 0.92366874842338 0.58333333333333 0.11084957485779 88.906 > 24 72 Y 0.92366874842338 0.91666666666667 0.11084957485779 88.906 > 24 *73 Y 0.92160177734843 0.25000000000000 0.61153088293978 88.906 > 25 74 Y 0.92160177734843 0.58333333333333 0.61153088293978 88.906 > 25 75 Y 0.92160177734843 0.91666666666667 0.61153088293978 88.906 > 25 76 Y 0.07839822265157 0.08333333333333 0.38846911706022 88.906 > 26 77 Y 0.07839822265157 0.41666666666667 0.38846911706022 88.906 > 26 78 Y 0.07839822265157 0.75000000000000 0.38846911706022 88.906 > 26 79 Y 0.42160177734843 0.25000000000000 0.88846911706022 88.906 > 27 80 Y 0.42160177734843 0.58333333333333 0.88846911706022 88.906 > 27 81 Y 0.42160177734843 0.91666666666667 0.88846911706022 88.906 > 27 82 Y 0.57839822265157 0.08333333333333 0.11153088293978 88.906 > 28 83 Y 0.57839822265157 0.41666666666667 0.11153088293978 88.906 > 28 84 Y 0.57839822265157 0.75000000000000 0.11153088293978 88.906 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1237904 0.0000000 0.0000000 0.0000000 4.3414449 0.0000000 0.0000000 0.0000000 4.2286416 -------------------------- Born effective charges -------------------------- 1 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 2 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 3 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 4 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 5 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 6 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 7 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 8 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 9 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 10 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 11 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 12 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 13 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 14 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 15 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 16 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 17 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 18 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 19 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 20 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 21 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 22 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 23 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 24 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 25 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 26 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 27 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 28 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.440 Solver_block: 200 / 480 - Time: 1.420 Solver_block: 300 / 480 - Time: 1.421 Solver_block: 400 / 480 - Time: 1.418 Solver_block: 480 / 480 - Time: 1.172 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.903 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-08 03:09:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:09:42]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.391875440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): 1 O 0.57405371202945 0.25000000000000 0.92211071148129 15.999 2 O 0.42594628797055 0.75000000000000 0.07788928851871 15.999 3 O 0.07405371202945 0.25000000000000 0.57788928851871 15.999 4 O 0.92594628797055 0.75000000000000 0.42211071148129 15.999 5 O 0.48646608850516 0.25000000000000 0.28376616974181 15.999 6 O 0.51353391149484 0.75000000000000 0.71623383025819 15.999 7 O 0.98646608850516 0.25000000000000 0.21623383025819 15.999 8 O 0.01353391149484 0.75000000000000 0.78376616974181 15.999 9 O 0.87337799107673 0.25000000000000 0.98074335577050 15.999 10 O 0.12662200892327 0.75000000000000 0.01925664422949 15.999 11 O 0.37337799107673 0.25000000000000 0.51925664422950 15.999 12 O 0.62662200892327 0.75000000000000 0.48074335577050 15.999 13 O 0.71201539738597 0.75000000000000 0.17572811589812 15.999 14 O 0.28798460261403 0.25000000000000 0.82427188410188 15.999 15 O 0.21201539738597 0.75000000000000 0.32427188410188 15.999 16 O 0.78798460261403 0.25000000000000 0.67572811589812 15.999 17 Sr 0.25216333072873 0.75000000000000 0.64968897891416 87.620 18 Sr 0.74783666927127 0.25000000000000 0.35031102108584 87.620 19 Sr 0.75216333072873 0.75000000000000 0.85031102108584 87.620 20 Sr 0.24783666927126 0.25000000000000 0.14968897891416 87.620 21 Y 0.57633125157662 0.25000000000000 0.61084957485779 88.906 22 Y 0.42366874842338 0.75000000000000 0.38915042514221 88.906 23 Y 0.07633125157662 0.25000000000000 0.88915042514221 88.906 24 Y 0.92366874842338 0.75000000000000 0.11084957485779 88.906 25 Y 0.92160177734843 0.75000000000000 0.61153088293978 88.906 26 Y 0.07839822265157 0.25000000000000 0.38846911706022 88.906 27 Y 0.42160177734843 0.75000000000000 0.88846911706022 88.906 28 Y 0.57839822265157 0.25000000000000 0.11153088293978 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.175626320000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): 1 O 0.57405371202945 0.08333333333333 0.92211071148129 15.999 > 1 2 O 0.57405371202945 0.41666666666667 0.92211071148129 15.999 > 1 3 O 0.57405371202945 0.75000000000000 0.92211071148129 15.999 > 1 4 O 0.42594628797055 0.25000000000000 0.07788928851871 15.999 > 4 5 O 0.42594628797055 0.58333333333333 0.07788928851871 15.999 > 4 6 O 0.42594628797055 0.91666666666667 0.07788928851871 15.999 > 4 7 O 0.07405371202945 0.08333333333333 0.57788928851871 15.999 > 7 8 O 0.07405371202945 0.41666666666667 0.57788928851871 15.999 > 7 9 O 0.07405371202945 0.75000000000000 0.57788928851871 15.999 > 7 10 O 0.92594628797055 0.25000000000000 0.42211071148129 15.999 > 10 11 O 0.92594628797055 0.58333333333333 0.42211071148129 15.999 > 10 12 O 0.92594628797055 0.91666666666667 0.42211071148129 15.999 > 10 13 O 0.48646608850516 0.08333333333333 0.28376616974181 15.999 > 13 14 O 0.48646608850516 0.41666666666667 0.28376616974181 15.999 > 13 15 O 0.48646608850516 0.75000000000000 0.28376616974181 15.999 > 13 16 O 0.51353391149484 0.25000000000000 0.71623383025819 15.999 > 16 17 O 0.51353391149484 0.58333333333333 0.71623383025819 15.999 > 16 18 O 0.51353391149484 0.91666666666667 0.71623383025819 15.999 > 16 19 O 0.98646608850516 0.08333333333333 0.21623383025819 15.999 > 19 20 O 0.98646608850516 0.41666666666667 0.21623383025819 15.999 > 19 21 O 0.98646608850516 0.75000000000000 0.21623383025819 15.999 > 19 22 O 0.01353391149484 0.25000000000000 0.78376616974181 15.999 > 22 23 O 0.01353391149484 0.58333333333333 0.78376616974181 15.999 > 22 24 O 0.01353391149484 0.91666666666667 0.78376616974181 15.999 > 22 25 O 0.87337799107673 0.08333333333333 0.98074335577050 15.999 > 25 26 O 0.87337799107673 0.41666666666667 0.98074335577050 15.999 > 25 27 O 0.87337799107673 0.75000000000000 0.98074335577050 15.999 > 25 28 O 0.12662200892327 0.25000000000000 0.01925664422949 15.999 > 28 29 O 0.12662200892327 0.58333333333333 0.01925664422949 15.999 > 28 30 O 0.12662200892327 0.91666666666667 0.01925664422949 15.999 > 28 31 O 0.37337799107673 0.08333333333333 0.51925664422950 15.999 > 31 32 O 0.37337799107673 0.41666666666667 0.51925664422950 15.999 > 31 33 O 0.37337799107673 0.75000000000000 0.51925664422950 15.999 > 31 34 O 0.62662200892327 0.25000000000000 0.48074335577050 15.999 > 34 35 O 0.62662200892327 0.58333333333333 0.48074335577050 15.999 > 34 36 O 0.62662200892327 0.91666666666667 0.48074335577050 15.999 > 34 37 O 0.71201539738597 0.25000000000000 0.17572811589812 15.999 > 37 38 O 0.71201539738597 0.58333333333333 0.17572811589812 15.999 > 37 39 O 0.71201539738597 0.91666666666667 0.17572811589812 15.999 > 37 40 O 0.28798460261403 0.08333333333333 0.82427188410188 15.999 > 40 41 O 0.28798460261403 0.41666666666667 0.82427188410188 15.999 > 40 42 O 0.28798460261403 0.75000000000000 0.82427188410188 15.999 > 40 43 O 0.21201539738597 0.25000000000000 0.32427188410188 15.999 > 43 44 O 0.21201539738597 0.58333333333333 0.32427188410188 15.999 > 43 45 O 0.21201539738597 0.91666666666667 0.32427188410188 15.999 > 43 46 O 0.78798460261403 0.08333333333333 0.67572811589812 15.999 > 46 47 O 0.78798460261403 0.41666666666667 0.67572811589812 15.999 > 46 48 O 0.78798460261403 0.75000000000000 0.67572811589812 15.999 > 46 49 Sr 0.25216333072873 0.25000000000000 0.64968897891416 87.620 > 49 50 Sr 0.25216333072873 0.58333333333333 0.64968897891416 87.620 > 49 51 Sr 0.25216333072873 0.91666666666667 0.64968897891416 87.620 > 49 52 Sr 0.74783666927127 0.08333333333333 0.35031102108584 87.620 > 52 53 Sr 0.74783666927127 0.41666666666667 0.35031102108584 87.620 > 52 54 Sr 0.74783666927127 0.75000000000000 0.35031102108584 87.620 > 52 55 Sr 0.75216333072873 0.25000000000000 0.85031102108584 87.620 > 55 56 Sr 0.75216333072873 0.58333333333333 0.85031102108584 87.620 > 55 57 Sr 0.75216333072873 0.91666666666667 0.85031102108584 87.620 > 55 58 Sr 0.24783666927126 0.08333333333333 0.14968897891416 87.620 > 58 59 Sr 0.24783666927126 0.41666666666667 0.14968897891416 87.620 > 58 60 Sr 0.24783666927126 0.75000000000000 0.14968897891416 87.620 > 58 61 Y 0.57633125157662 0.08333333333333 0.61084957485779 88.906 > 61 62 Y 0.57633125157662 0.41666666666667 0.61084957485779 88.906 > 61 63 Y 0.57633125157662 0.75000000000000 0.61084957485779 88.906 > 61 64 Y 0.42366874842338 0.25000000000000 0.38915042514221 88.906 > 64 65 Y 0.42366874842338 0.58333333333333 0.38915042514221 88.906 > 64 66 Y 0.42366874842338 0.91666666666667 0.38915042514221 88.906 > 64 67 Y 0.07633125157662 0.08333333333333 0.88915042514221 88.906 > 67 68 Y 0.07633125157662 0.41666666666667 0.88915042514221 88.906 > 67 69 Y 0.07633125157662 0.75000000000000 0.88915042514221 88.906 > 67 70 Y 0.92366874842338 0.25000000000000 0.11084957485779 88.906 > 70 71 Y 0.92366874842338 0.58333333333333 0.11084957485779 88.906 > 70 72 Y 0.92366874842338 0.91666666666667 0.11084957485779 88.906 > 70 73 Y 0.92160177734843 0.25000000000000 0.61153088293978 88.906 > 73 74 Y 0.92160177734843 0.58333333333333 0.61153088293978 88.906 > 73 75 Y 0.92160177734843 0.91666666666667 0.61153088293978 88.906 > 73 76 Y 0.07839822265157 0.08333333333333 0.38846911706022 88.906 > 76 77 Y 0.07839822265157 0.41666666666667 0.38846911706022 88.906 > 76 78 Y 0.07839822265157 0.75000000000000 0.38846911706022 88.906 > 76 79 Y 0.42160177734843 0.25000000000000 0.88846911706022 88.906 > 79 80 Y 0.42160177734843 0.58333333333333 0.88846911706022 88.906 > 79 81 Y 0.42160177734843 0.91666666666667 0.88846911706022 88.906 > 79 82 Y 0.57839822265157 0.08333333333333 0.11153088293978 88.906 > 82 83 Y 0.57839822265157 0.41666666666667 0.11153088293978 88.906 > 82 84 Y 0.57839822265157 0.75000000000000 0.11153088293978 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1237904 0.0000000 0.0000000 0.0000000 4.3414449 0.0000000 0.0000000 0.0000000 4.2286416 -------------------------- Born effective charges -------------------------- 1 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 2 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 3 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 4 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 5 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 6 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 7 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 8 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 9 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 10 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 11 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 12 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 13 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 14 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 15 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 16 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 17 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 18 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 19 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 20 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 21 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 22 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 23 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 24 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 25 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 26 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 27 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 28 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-08 03:09:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:09:58]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.391875440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): 1 O 0.57405371202945 0.25000000000000 0.92211071148129 15.999 2 O 0.42594628797055 0.75000000000000 0.07788928851871 15.999 3 O 0.07405371202945 0.25000000000000 0.57788928851871 15.999 4 O 0.92594628797055 0.75000000000000 0.42211071148129 15.999 5 O 0.48646608850516 0.25000000000000 0.28376616974181 15.999 6 O 0.51353391149484 0.75000000000000 0.71623383025819 15.999 7 O 0.98646608850516 0.25000000000000 0.21623383025819 15.999 8 O 0.01353391149484 0.75000000000000 0.78376616974181 15.999 9 O 0.87337799107673 0.25000000000000 0.98074335577050 15.999 10 O 0.12662200892327 0.75000000000000 0.01925664422949 15.999 11 O 0.37337799107673 0.25000000000000 0.51925664422950 15.999 12 O 0.62662200892327 0.75000000000000 0.48074335577050 15.999 13 O 0.71201539738597 0.75000000000000 0.17572811589812 15.999 14 O 0.28798460261403 0.25000000000000 0.82427188410188 15.999 15 O 0.21201539738597 0.75000000000000 0.32427188410188 15.999 16 O 0.78798460261403 0.25000000000000 0.67572811589812 15.999 17 Sr 0.25216333072873 0.75000000000000 0.64968897891416 87.620 18 Sr 0.74783666927127 0.25000000000000 0.35031102108584 87.620 19 Sr 0.75216333072873 0.75000000000000 0.85031102108584 87.620 20 Sr 0.24783666927126 0.25000000000000 0.14968897891416 87.620 21 Y 0.57633125157662 0.25000000000000 0.61084957485779 88.906 22 Y 0.42366874842338 0.75000000000000 0.38915042514221 88.906 23 Y 0.07633125157662 0.25000000000000 0.88915042514221 88.906 24 Y 0.92366874842338 0.75000000000000 0.11084957485779 88.906 25 Y 0.92160177734843 0.75000000000000 0.61153088293978 88.906 26 Y 0.07839822265157 0.25000000000000 0.38846911706022 88.906 27 Y 0.42160177734843 0.75000000000000 0.88846911706022 88.906 28 Y 0.57839822265157 0.25000000000000 0.11153088293978 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.986174009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.175626320000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.842365870000000 Atomic positions (fractional): 1 O 0.57405371202945 0.08333333333333 0.92211071148129 15.999 > 1 2 O 0.57405371202945 0.41666666666667 0.92211071148129 15.999 > 1 3 O 0.57405371202945 0.75000000000000 0.92211071148129 15.999 > 1 4 O 0.42594628797055 0.25000000000000 0.07788928851871 15.999 > 4 5 O 0.42594628797055 0.58333333333333 0.07788928851871 15.999 > 4 6 O 0.42594628797055 0.91666666666667 0.07788928851871 15.999 > 4 7 O 0.07405371202945 0.08333333333333 0.57788928851871 15.999 > 7 8 O 0.07405371202945 0.41666666666667 0.57788928851871 15.999 > 7 9 O 0.07405371202945 0.75000000000000 0.57788928851871 15.999 > 7 10 O 0.92594628797055 0.25000000000000 0.42211071148129 15.999 > 10 11 O 0.92594628797055 0.58333333333333 0.42211071148129 15.999 > 10 12 O 0.92594628797055 0.91666666666667 0.42211071148129 15.999 > 10 13 O 0.48646608850516 0.08333333333333 0.28376616974181 15.999 > 13 14 O 0.48646608850516 0.41666666666667 0.28376616974181 15.999 > 13 15 O 0.48646608850516 0.75000000000000 0.28376616974181 15.999 > 13 16 O 0.51353391149484 0.25000000000000 0.71623383025819 15.999 > 16 17 O 0.51353391149484 0.58333333333333 0.71623383025819 15.999 > 16 18 O 0.51353391149484 0.91666666666667 0.71623383025819 15.999 > 16 19 O 0.98646608850516 0.08333333333333 0.21623383025819 15.999 > 19 20 O 0.98646608850516 0.41666666666667 0.21623383025819 15.999 > 19 21 O 0.98646608850516 0.75000000000000 0.21623383025819 15.999 > 19 22 O 0.01353391149484 0.25000000000000 0.78376616974181 15.999 > 22 23 O 0.01353391149484 0.58333333333333 0.78376616974181 15.999 > 22 24 O 0.01353391149484 0.91666666666667 0.78376616974181 15.999 > 22 25 O 0.87337799107673 0.08333333333333 0.98074335577050 15.999 > 25 26 O 0.87337799107673 0.41666666666667 0.98074335577050 15.999 > 25 27 O 0.87337799107673 0.75000000000000 0.98074335577050 15.999 > 25 28 O 0.12662200892327 0.25000000000000 0.01925664422949 15.999 > 28 29 O 0.12662200892327 0.58333333333333 0.01925664422949 15.999 > 28 30 O 0.12662200892327 0.91666666666667 0.01925664422949 15.999 > 28 31 O 0.37337799107673 0.08333333333333 0.51925664422950 15.999 > 31 32 O 0.37337799107673 0.41666666666667 0.51925664422950 15.999 > 31 33 O 0.37337799107673 0.75000000000000 0.51925664422950 15.999 > 31 34 O 0.62662200892327 0.25000000000000 0.48074335577050 15.999 > 34 35 O 0.62662200892327 0.58333333333333 0.48074335577050 15.999 > 34 36 O 0.62662200892327 0.91666666666667 0.48074335577050 15.999 > 34 37 O 0.71201539738597 0.25000000000000 0.17572811589812 15.999 > 37 38 O 0.71201539738597 0.58333333333333 0.17572811589812 15.999 > 37 39 O 0.71201539738597 0.91666666666667 0.17572811589812 15.999 > 37 40 O 0.28798460261403 0.08333333333333 0.82427188410188 15.999 > 40 41 O 0.28798460261403 0.41666666666667 0.82427188410188 15.999 > 40 42 O 0.28798460261403 0.75000000000000 0.82427188410188 15.999 > 40 43 O 0.21201539738597 0.25000000000000 0.32427188410188 15.999 > 43 44 O 0.21201539738597 0.58333333333333 0.32427188410188 15.999 > 43 45 O 0.21201539738597 0.91666666666667 0.32427188410188 15.999 > 43 46 O 0.78798460261403 0.08333333333333 0.67572811589812 15.999 > 46 47 O 0.78798460261403 0.41666666666667 0.67572811589812 15.999 > 46 48 O 0.78798460261403 0.75000000000000 0.67572811589812 15.999 > 46 49 Sr 0.25216333072873 0.25000000000000 0.64968897891416 87.620 > 49 50 Sr 0.25216333072873 0.58333333333333 0.64968897891416 87.620 > 49 51 Sr 0.25216333072873 0.91666666666667 0.64968897891416 87.620 > 49 52 Sr 0.74783666927127 0.08333333333333 0.35031102108584 87.620 > 52 53 Sr 0.74783666927127 0.41666666666667 0.35031102108584 87.620 > 52 54 Sr 0.74783666927127 0.75000000000000 0.35031102108584 87.620 > 52 55 Sr 0.75216333072873 0.25000000000000 0.85031102108584 87.620 > 55 56 Sr 0.75216333072873 0.58333333333333 0.85031102108584 87.620 > 55 57 Sr 0.75216333072873 0.91666666666667 0.85031102108584 87.620 > 55 58 Sr 0.24783666927126 0.08333333333333 0.14968897891416 87.620 > 58 59 Sr 0.24783666927126 0.41666666666667 0.14968897891416 87.620 > 58 60 Sr 0.24783666927126 0.75000000000000 0.14968897891416 87.620 > 58 61 Y 0.57633125157662 0.08333333333333 0.61084957485779 88.906 > 61 62 Y 0.57633125157662 0.41666666666667 0.61084957485779 88.906 > 61 63 Y 0.57633125157662 0.75000000000000 0.61084957485779 88.906 > 61 64 Y 0.42366874842338 0.25000000000000 0.38915042514221 88.906 > 64 65 Y 0.42366874842338 0.58333333333333 0.38915042514221 88.906 > 64 66 Y 0.42366874842338 0.91666666666667 0.38915042514221 88.906 > 64 67 Y 0.07633125157662 0.08333333333333 0.88915042514221 88.906 > 67 68 Y 0.07633125157662 0.41666666666667 0.88915042514221 88.906 > 67 69 Y 0.07633125157662 0.75000000000000 0.88915042514221 88.906 > 67 70 Y 0.92366874842338 0.25000000000000 0.11084957485779 88.906 > 70 71 Y 0.92366874842338 0.58333333333333 0.11084957485779 88.906 > 70 72 Y 0.92366874842338 0.91666666666667 0.11084957485779 88.906 > 70 73 Y 0.92160177734843 0.25000000000000 0.61153088293978 88.906 > 73 74 Y 0.92160177734843 0.58333333333333 0.61153088293978 88.906 > 73 75 Y 0.92160177734843 0.91666666666667 0.61153088293978 88.906 > 73 76 Y 0.07839822265157 0.08333333333333 0.38846911706022 88.906 > 76 77 Y 0.07839822265157 0.41666666666667 0.38846911706022 88.906 > 76 78 Y 0.07839822265157 0.75000000000000 0.38846911706022 88.906 > 76 79 Y 0.42160177734843 0.25000000000000 0.88846911706022 88.906 > 79 80 Y 0.42160177734843 0.58333333333333 0.88846911706022 88.906 > 79 81 Y 0.42160177734843 0.91666666666667 0.88846911706022 88.906 > 79 82 Y 0.57839822265157 0.08333333333333 0.11153088293978 88.906 > 82 83 Y 0.57839822265157 0.41666666666667 0.11153088293978 88.906 > 82 84 Y 0.57839822265157 0.75000000000000 0.11153088293978 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1237904 0.0000000 0.0000000 0.0000000 4.3414449 0.0000000 0.0000000 0.0000000 4.2286416 -------------------------- Born effective charges -------------------------- 1 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 2 O -2.3419354 0.0000000 0.0015513 0.0000000 -2.6557278 0.0000000 -0.1001743 0.0000000 -2.4437321 3 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 4 O -2.3419354 0.0000000 -0.0015513 0.0000000 -2.6557278 0.0000000 0.1001743 0.0000000 -2.4437321 5 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 6 O -1.9935861 0.0000000 0.4087189 0.0000000 -2.5916552 0.0000000 0.5489205 0.0000000 -3.0111930 7 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 8 O -1.9935861 0.0000000 -0.4087189 0.0000000 -2.5916552 0.0000000 -0.5489205 0.0000000 -3.0111930 9 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 10 O -2.3378978 0.0000000 -0.0262046 0.0000000 -2.5962437 0.0000000 0.0232019 0.0000000 -2.4752760 11 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 12 O -2.3378978 0.0000000 0.0262046 0.0000000 -2.5962437 0.0000000 -0.0232019 0.0000000 -2.4752760 13 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 14 O -2.8603031 0.0000000 -0.0421132 0.0000000 -2.6481275 0.0000000 -0.0652054 0.0000000 -2.0557643 15 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 16 O -2.8603031 0.0000000 0.0421132 0.0000000 -2.6481275 0.0000000 0.0652054 0.0000000 -2.0557643 17 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 18 Sr 2.6158836 0.0000000 -0.0575018 0.0000000 2.3939872 0.0000000 -0.0403818 0.0000000 2.4633436 19 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 20 Sr 2.6158836 0.0000000 0.0575018 0.0000000 2.3939872 0.0000000 0.0403818 0.0000000 2.4633436 21 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 22 Y 3.4804765 0.0000000 0.2199278 0.0000000 4.1573019 0.0000000 0.1132251 0.0000000 3.5399253 23 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 24 Y 3.4804765 0.0000000 -0.2199278 0.0000000 4.1573019 0.0000000 -0.1132251 0.0000000 3.5399253 25 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 26 Y 3.4373622 0.0000000 -0.1737581 0.0000000 3.9404652 0.0000000 -0.0738828 0.0000000 3.9826966 27 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 28 Y 3.4373622 0.0000000 0.1737581 0.0000000 3.9404652 0.0000000 0.0738828 0.0000000 3.9826966 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 5 15 4 ] 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: 0.56, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 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 2.127 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.786 ( 0.000 0.000 0.000) 0.000 12.890 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.126 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.165 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 17.379 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 31.830 0.000 0.000) 31.830 0.660 ( 32.420 0.000 0.000) 32.420 1.092 ( 53.999 0.000 0.000) 53.999 2.144 ( -0.423 0.000 0.000) 0.423 2.271 ( -17.142 0.000 0.000) 17.142 2.364 ( -15.377 0.000 0.000) 15.377 2.406 ( 0.559 0.000 0.000) 0.559 2.508 ( -3.126 0.000 0.000) 3.126 2.567 ( 17.984 0.000 0.000) 17.984 2.675 ( -1.723 0.000 0.000) 1.723 2.752 ( 0.143 0.000 0.000) 0.143 3.012 ( -9.464 0.000 0.000) 9.464 3.025 ( 1.111 0.000 0.000) 1.111 3.107 ( -1.467 0.000 0.000) 1.467 3.331 ( 5.307 0.000 0.000) 5.307 3.451 ( 4.343 0.000 0.000) 4.343 3.502 ( 11.668 0.000 0.000) 11.668 3.525 ( 1.383 0.000 0.000) 1.383 3.714 ( -8.479 0.000 0.000) 8.479 3.940 ( 2.087 0.000 0.000) 2.087 4.053 ( -0.468 0.000 0.000) 0.468 4.069 ( 8.546 0.000 0.000) 8.546 4.144 ( -2.240 0.000 0.000) 2.240 4.202 ( -22.099 0.000 0.000) 22.099 4.793 ( 6.404 0.000 0.000) 6.404 4.794 ( 18.417 0.000 0.000) 18.417 5.105 ( -13.975 0.000 0.000) 13.975 5.159 ( -12.384 0.000 0.000) 12.384 5.400 ( 3.845 0.000 0.000) 3.845 5.702 ( -3.552 0.000 0.000) 3.552 5.945 ( 1.969 0.000 0.000) 1.969 6.131 ( -7.614 0.000 0.000) 7.614 6.151 ( -10.598 0.000 0.000) 10.598 6.313 ( 0.246 0.000 0.000) 0.246 6.389 ( 5.063 0.000 0.000) 5.063 6.634 ( -1.610 0.000 0.000) 1.610 6.855 ( 7.437 0.000 0.000) 7.437 7.095 ( -6.763 0.000 0.000) 6.763 7.455 ( -2.832 0.000 0.000) 2.832 7.798 ( -16.159 0.000 0.000) 16.159 7.933 ( 0.377 0.000 0.000) 0.377 8.046 ( -2.517 0.000 0.000) 2.517 8.354 ( -0.326 0.000 0.000) 0.326 8.385 ( -1.636 0.000 0.000) 1.636 8.790 ( 6.571 0.000 0.000) 6.571 8.855 ( 12.668 0.000 0.000) 12.668 8.870 ( 5.233 0.000 0.000) 5.233 8.971 ( 5.797 0.000 0.000) 5.797 9.006 ( 10.232 0.000 0.000) 10.232 9.276 ( -5.509 0.000 0.000) 5.509 9.388 ( -4.140 0.000 0.000) 4.140 9.489 ( 0.928 0.000 0.000) 0.928 9.761 ( 18.207 0.000 0.000) 18.207 9.910 ( -0.121 0.000 0.000) 0.121 9.941 ( 1.679 0.000 0.000) 1.679 10.018 ( -0.338 0.000 0.000) 0.338 10.356 ( -5.335 0.000 0.000) 5.335 10.545 ( -0.217 0.000 0.000) 0.217 10.668 ( 0.694 0.000 0.000) 0.694 10.719 ( -0.482 0.000 0.000) 0.482 11.105 ( 0.051 0.000 0.000) 0.051 11.395 ( 3.848 0.000 0.000) 3.848 11.480 ( -0.063 0.000 0.000) 0.063 11.630 ( -13.930 0.000 0.000) 13.930 12.055 ( -1.263 0.000 0.000) 1.263 12.214 ( -5.265 0.000 0.000) 5.265 12.580 ( 0.148 0.000 0.000) 0.148 12.595 ( -0.187 0.000 0.000) 0.187 12.604 ( 0.127 0.000 0.000) 0.127 12.615 ( -0.130 0.000 0.000) 0.130 12.698 ( 3.739 0.000 0.000) 3.739 12.797 ( 0.957 0.000 0.000) 0.957 13.991 ( -4.297 0.000 0.000) 4.297 14.082 ( -4.000 0.000 0.000) 4.000 14.205 ( 3.246 0.000 0.000) 3.246 14.265 ( -0.716 0.000 0.000) 0.716 16.084 ( 2.895 0.000 0.000) 2.895 16.136 ( 0.912 0.000 0.000) 0.912 16.384 ( 5.234 0.000 0.000) 5.234 16.738 ( -3.348 0.000 0.000) 3.348 17.573 ( 0.977 0.000 0.000) 0.977 17.703 ( -1.439 0.000 0.000) 1.439 17.913 ( 2.573 0.000 0.000) 2.573 18.179 ( -5.102 0.000 0.000) 5.102 ======================= Grid point 2 (3/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 29.563 0.000 0.000) 29.563 1.288 ( 29.965 0.000 0.000) 29.965 1.823 ( -25.307 0.000 0.000) 25.307 1.844 ( -24.959 0.000 0.000) 24.959 2.121 ( 44.392 0.000 0.000) 44.392 2.299 ( 4.457 0.000 0.000) 4.457 2.387 ( -3.071 0.000 0.000) 3.071 2.481 ( -0.152 0.000 0.000) 0.152 2.662 ( 1.145 0.000 0.000) 1.145 2.713 ( -3.094 0.000 0.000) 3.094 2.741 ( -0.974 0.000 0.000) 0.974 3.050 ( 1.253 0.000 0.000) 1.253 3.076 ( -1.434 0.000 0.000) 1.434 3.117 ( 20.642 0.000 0.000) 20.642 3.152 ( -29.248 0.000 0.000) 29.248 3.501 ( -15.977 0.000 0.000) 15.977 3.526 ( 2.530 0.000 0.000) 2.530 3.546 ( 0.326 0.000 0.000) 0.326 3.675 ( 4.621 0.000 0.000) 4.621 3.741 ( -6.787 0.000 0.000) 6.787 4.001 ( 3.837 0.000 0.000) 3.837 4.081 ( -3.835 0.000 0.000) 3.835 4.242 ( 11.867 0.000 0.000) 11.867 4.299 ( 11.759 0.000 0.000) 11.759 4.751 ( -11.863 0.000 0.000) 11.863 4.853 ( -16.774 0.000 0.000) 16.774 5.023 ( 10.270 0.000 0.000) 10.270 5.124 ( 8.030 0.000 0.000) 8.030 5.497 ( 5.108 0.000 0.000) 5.108 5.586 ( -6.270 0.000 0.000) 6.270 5.802 ( -6.774 0.000 0.000) 6.774 5.908 ( -12.633 0.000 0.000) 12.633 6.118 ( 9.798 0.000 0.000) 9.798 6.364 ( -11.677 0.000 0.000) 11.677 6.465 ( 6.343 0.000 0.000) 6.343 6.533 ( -2.261 0.000 0.000) 2.261 6.999 ( 6.430 0.000 0.000) 6.430 7.053 ( 0.723 0.000 0.000) 0.723 7.403 ( -0.804 0.000 0.000) 0.804 7.505 ( -11.365 0.000 0.000) 11.365 7.949 ( 1.401 0.000 0.000) 1.401 7.990 ( -2.619 0.000 0.000) 2.619 8.350 ( 0.002 0.000 0.000) 0.002 8.358 ( -0.858 0.000 0.000) 0.858 8.951 ( 8.888 0.000 0.000) 8.888 8.995 ( 5.986 0.000 0.000) 5.986 9.032 ( 3.633 0.000 0.000) 3.633 9.107 ( 3.022 0.000 0.000) 3.022 9.140 ( -3.523 0.000 0.000) 3.523 9.216 ( 9.742 0.000 0.000) 9.742 9.273 ( -7.064 0.000 0.000) 7.064 9.402 ( -8.573 0.000 0.000) 8.573 9.977 ( 1.728 0.000 0.000) 1.728 10.005 ( -1.003 0.000 0.000) 1.003 10.012 ( 9.312 0.000 0.000) 9.312 10.196 ( 7.533 0.000 0.000) 7.533 10.220 ( 6.408 0.000 0.000) 6.408 10.517 ( -5.548 0.000 0.000) 5.548 10.686 ( 1.011 0.000 0.000) 1.011 10.705 ( -0.880 0.000 0.000) 0.880 11.060 ( -2.463 0.000 0.000) 2.463 11.168 ( -15.086 0.000 0.000) 15.086 11.572 ( 8.180 0.000 0.000) 8.180 11.642 ( 4.467 0.000 0.000) 4.467 11.999 ( -3.577 0.000 0.000) 3.577 12.029 ( -8.981 0.000 0.000) 8.981 12.585 ( 0.259 0.000 0.000) 0.259 12.590 ( -0.283 0.000 0.000) 0.283 12.607 ( 0.207 0.000 0.000) 0.207 12.612 ( -0.209 0.000 0.000) 0.209 12.784 ( 3.360 0.000 0.000) 3.360 12.813 ( 0.218 0.000 0.000) 0.218 13.946 ( 0.135 0.000 0.000) 0.135 13.993 ( -4.110 0.000 0.000) 4.110 14.242 ( 0.789 0.000 0.000) 0.789 14.252 ( -0.472 0.000 0.000) 0.472 16.141 ( 2.117 0.000 0.000) 2.117 16.155 ( 0.579 0.000 0.000) 0.579 16.512 ( 6.917 0.000 0.000) 6.917 16.643 ( -5.929 0.000 0.000) 5.929 17.608 ( 2.450 0.000 0.000) 2.450 17.661 ( -2.610 0.000 0.000) 2.610 17.975 ( 3.628 0.000 0.000) 3.628 18.065 ( -5.480 0.000 0.000) 5.480 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 32.352 0.000) 32.352 0.709 ( 0.000 35.526 0.000) 35.526 1.354 ( 0.000 67.485 0.000) 67.485 2.284 ( 0.000 6.990 0.000) 6.990 2.355 ( 0.000 4.551 0.000) 4.551 2.396 ( 0.000 24.396 0.000) 24.396 2.564 ( 0.000 15.997 0.000) 15.997 2.575 ( 0.000 2.322 0.000) 2.322 2.750 ( 0.000 13.286 0.000) 13.286 2.928 ( 0.000 20.404 0.000) 20.404 2.936 ( 0.000 22.854 0.000) 22.854 3.100 ( 0.000 0.189 0.000) 0.189 3.185 ( 0.000 15.118 0.000) 15.118 3.237 ( 0.000 0.378 0.000) 0.378 3.310 ( 0.000 -0.892 0.000) 0.892 3.388 ( 0.000 19.147 0.000) 19.147 3.607 ( 0.000 18.542 0.000) 18.542 3.731 ( 0.000 19.351 0.000) 19.351 3.732 ( 0.000 -0.286 0.000) 0.286 3.979 ( 0.000 0.929 0.000) 0.929 4.041 ( 0.000 1.736 0.000) 1.736 4.248 ( 0.000 23.047 0.000) 23.047 4.362 ( 0.000 18.010 0.000) 18.010 4.474 ( 0.000 4.957 0.000) 4.957 4.570 ( 0.000 2.805 0.000) 2.805 4.572 ( 0.000 7.478 0.000) 7.478 5.060 ( 0.000 7.938 0.000) 7.938 5.278 ( 0.000 1.013 0.000) 1.013 5.281 ( 0.000 -2.287 0.000) 2.287 5.705 ( 0.000 -2.547 0.000) 2.547 5.967 ( 0.000 -1.690 0.000) 1.690 5.994 ( 0.000 1.706 0.000) 1.706 6.259 ( 0.000 -0.134 0.000) 0.134 6.270 ( 0.000 -2.595 0.000) 2.595 6.486 ( 0.000 -3.623 0.000) 3.623 6.622 ( 0.000 1.203 0.000) 1.203 6.674 ( 0.000 -3.986 0.000) 3.986 7.147 ( 0.000 -3.560 0.000) 3.560 7.418 ( 0.000 -5.759 0.000) 5.759 7.859 ( 0.000 -12.233 0.000) 12.233 8.302 ( 0.000 17.962 0.000) 17.962 8.344 ( 0.000 -7.082 0.000) 7.082 8.426 ( 0.000 7.437 0.000) 7.437 8.568 ( 0.000 13.433 0.000) 13.433 8.758 ( 0.000 0.763 0.000) 0.763 8.763 ( 0.000 -3.885 0.000) 3.885 8.811 ( 0.000 -2.947 0.000) 2.947 9.036 ( 0.000 17.279 0.000) 17.279 9.133 ( 0.000 17.035 0.000) 17.035 9.387 ( 0.000 -6.460 0.000) 6.460 9.470 ( 0.000 12.325 0.000) 12.325 9.507 ( 0.000 -4.726 0.000) 4.726 9.534 ( 0.000 9.367 0.000) 9.367 9.886 ( 0.000 -2.152 0.000) 2.152 9.945 ( 0.000 2.091 0.000) 2.091 10.094 ( 0.000 6.247 0.000) 6.247 10.472 ( 0.000 6.163 0.000) 6.163 10.552 ( 0.000 -2.106 0.000) 2.106 10.610 ( 0.000 -4.298 0.000) 4.298 10.768 ( 0.000 3.722 0.000) 3.722 11.041 ( 0.000 -4.982 0.000) 4.982 11.291 ( 0.000 -2.089 0.000) 2.089 11.541 ( 0.000 3.618 0.000) 3.618 12.030 ( 0.000 -5.184 0.000) 5.184 12.035 ( 0.000 -2.308 0.000) 2.308 12.222 ( 0.000 0.261 0.000) 0.261 12.453 ( 0.000 -9.978 0.000) 9.978 12.483 ( 0.000 -9.715 0.000) 9.715 12.581 ( 0.000 -0.004 0.000) 0.004 12.744 ( 0.000 6.863 0.000) 6.863 12.907 ( 0.000 1.260 0.000) 1.260 12.948 ( 0.000 10.985 0.000) 10.985 14.030 ( 0.000 -8.755 0.000) 8.755 14.055 ( 0.000 -7.657 0.000) 7.657 14.098 ( 0.000 -3.113 0.000) 3.113 14.191 ( 0.000 -8.283 0.000) 8.283 16.046 ( 0.000 -0.449 0.000) 0.449 16.175 ( 0.000 0.556 0.000) 0.556 16.294 ( 0.000 -3.192 0.000) 3.192 17.148 ( 0.000 -3.603 0.000) 3.603 17.318 ( 0.000 -6.169 0.000) 6.169 17.628 ( 0.000 -8.869 0.000) 8.869 17.797 ( 0.000 -8.684 0.000) 8.684 18.119 ( 0.000 -11.508 0.000) 11.508 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 25.398 21.262 0.000) 33.123 0.950 ( 20.597 25.414 0.000) 32.713 1.714 ( 30.705 51.657 0.000) 60.094 2.244 ( -8.745 2.290 0.000) 9.040 2.399 ( -3.571 20.702 0.000) 21.008 2.512 ( -7.022 12.194 0.000) 14.071 2.562 ( 2.083 13.715 0.000) 13.872 2.588 ( -6.370 10.975 0.000) 12.689 2.606 ( 16.628 6.382 0.000) 17.811 2.919 ( -0.890 20.486 0.000) 20.505 2.946 ( -1.479 18.705 0.000) 18.764 3.006 ( -6.649 1.935 0.000) 6.925 3.211 ( 1.676 17.086 0.000) 17.168 3.319 ( -2.647 17.401 0.000) 17.601 3.325 ( 6.474 0.106 0.000) 6.475 3.475 ( 9.748 -0.592 0.000) 9.766 3.639 ( -0.917 13.358 0.000) 13.389 3.668 ( -2.241 3.210 0.000) 3.915 3.736 ( 1.953 18.117 0.000) 18.222 4.036 ( 6.684 0.870 0.000) 6.741 4.069 ( 1.457 4.292 0.000) 4.532 4.190 ( -8.535 10.433 0.000) 13.480 4.289 ( -13.974 17.426 0.000) 22.337 4.347 ( -1.866 18.886 0.000) 18.978 4.666 ( 9.504 -7.345 0.000) 12.011 4.840 ( 17.581 5.079 0.000) 18.300 5.061 ( -2.148 5.733 0.000) 6.122 5.147 ( -12.016 -1.019 0.000) 12.059 5.342 ( 6.040 -0.415 0.000) 6.055 5.667 ( -3.893 -3.008 0.000) 4.920 5.912 ( 1.805 -3.800 0.000) 4.206 6.081 ( -10.026 -2.408 0.000) 10.311 6.107 ( -11.030 -0.391 0.000) 11.037 6.296 ( 2.837 -1.422 0.000) 3.174 6.353 ( 2.290 -2.526 0.000) 3.410 6.632 ( -2.656 -0.148 0.000) 2.660 6.830 ( 8.801 -2.257 0.000) 9.086 7.052 ( -5.529 -2.766 0.000) 6.182 7.392 ( -2.375 -5.285 0.000) 5.795 7.714 ( -11.891 -6.848 0.000) 13.722 8.283 ( -1.364 18.384 0.000) 18.435 8.378 ( 1.615 1.848 0.000) 2.454 8.425 ( -0.153 7.665 0.000) 7.666 8.465 ( -8.980 16.167 0.000) 18.493 8.838 ( 5.944 2.071 0.000) 6.294 8.849 ( 4.083 -5.320 0.000) 6.706 8.878 ( 9.024 -1.365 0.000) 9.127 9.002 ( 3.007 18.210 0.000) 18.457 9.190 ( 4.775 14.621 0.000) 15.380 9.379 ( -2.594 -4.170 0.000) 4.911 9.406 ( -4.900 10.538 0.000) 11.622 9.511 ( -1.739 6.223 0.000) 6.461 9.681 ( 15.253 -4.653 0.000) 15.946 9.902 ( 2.587 -0.522 0.000) 2.639 9.998 ( 5.231 3.802 0.000) 6.467 10.085 ( -0.641 5.916 0.000) 5.950 10.399 ( -6.367 4.256 0.000) 7.658 10.526 ( -1.699 -1.909 0.000) 2.555 10.630 ( 1.609 -2.889 0.000) 3.307 10.707 ( -2.634 2.094 0.000) 3.365 11.079 ( 2.152 -2.692 0.000) 3.447 11.418 ( 9.606 -1.726 0.000) 9.760 11.504 ( -1.564 2.253 0.000) 2.743 11.756 ( -24.011 4.751 0.000) 24.477 12.031 ( -1.068 -2.225 0.000) 2.468 12.208 ( -3.388 -0.496 0.000) 3.424 12.461 ( 0.813 -9.334 0.000) 9.370 12.482 ( 0.104 -8.757 0.000) 8.758 12.570 ( -1.035 -1.130 0.000) 1.533 12.653 ( -8.865 2.431 0.000) 9.192 12.803 ( 2.332 8.401 0.000) 8.719 12.958 ( 0.672 11.091 0.000) 11.112 13.951 ( -4.146 -5.979 0.000) 7.276 14.045 ( -4.560 -4.172 0.000) 6.180 14.127 ( 3.442 -7.775 0.000) 8.503 14.187 ( -0.405 -7.618 0.000) 7.629 16.083 ( 3.239 -0.125 0.000) 3.241 16.170 ( -0.037 1.538 0.000) 1.538 16.354 ( 5.623 -2.862 0.000) 6.309 16.862 ( -12.563 6.139 0.000) 13.983 17.445 ( 3.904 -10.667 0.000) 11.359 17.613 ( -1.521 -8.932 0.000) 9.061 17.824 ( 2.422 -8.844 0.000) 9.170 18.068 ( -4.637 -11.021 0.000) 11.957 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 24.756 14.888 0.000) 28.888 1.498 ( 28.880 16.296 0.000) 33.160 1.899 ( -21.615 8.030 0.000) 23.059 2.044 ( -24.712 16.014 0.000) 29.447 2.409 ( 30.976 28.000 0.000) 41.755 2.508 ( 2.635 16.961 0.000) 17.165 2.563 ( -0.966 15.925 0.000) 15.954 2.591 ( 3.475 12.927 0.000) 13.386 2.803 ( -2.223 6.933 0.000) 7.280 2.878 ( -4.744 15.342 0.000) 16.059 2.893 ( 2.836 21.641 0.000) 21.826 3.131 ( 20.809 3.576 0.000) 21.114 3.197 ( -10.687 13.042 0.000) 16.861 3.286 ( -0.557 17.956 0.000) 17.964 3.301 ( -8.027 16.092 0.000) 17.983 3.512 ( -11.743 2.690 0.000) 12.047 3.591 ( 1.537 0.988 0.000) 1.827 3.624 ( -6.114 5.163 0.000) 8.003 3.814 ( 3.310 16.383 0.000) 16.714 3.838 ( -3.624 14.306 0.000) 14.758 4.201 ( 5.853 7.072 0.000) 9.180 4.225 ( 10.163 -0.383 0.000) 10.170 4.264 ( 3.885 13.905 0.000) 14.437 4.292 ( -3.190 14.920 0.000) 15.257 4.705 ( -3.383 -3.171 0.000) 4.637 4.845 ( -16.203 -0.576 0.000) 16.213 5.084 ( 6.947 7.590 0.000) 10.289 5.150 ( 7.774 3.421 0.000) 8.493 5.463 ( 5.182 -2.264 0.000) 5.655 5.549 ( -6.071 -3.323 0.000) 6.921 5.824 ( -7.141 2.701 0.000) 7.635 5.882 ( -9.270 -0.985 0.000) 9.322 6.029 ( 9.462 -7.311 0.000) 11.957 6.275 ( -12.307 -6.944 0.000) 14.131 6.448 ( 6.053 -1.221 0.000) 6.175 6.522 ( -3.235 -0.688 0.000) 3.307 6.996 ( 6.903 -0.168 0.000) 6.905 7.039 ( 1.825 -0.550 0.000) 1.906 7.350 ( -0.187 -4.441 0.000) 4.445 7.464 ( -11.172 -3.532 0.000) 11.717 8.268 ( 0.378 20.739 0.000) 20.743 8.314 ( -4.519 23.960 0.000) 24.383 8.407 ( 0.728 4.614 0.000) 4.671 8.419 ( -0.443 7.383 0.000) 7.396 8.935 ( 3.361 -1.962 0.000) 3.891 8.935 ( 3.365 -5.278 0.000) 6.260 9.077 ( 9.929 -2.441 0.000) 10.224 9.124 ( 6.013 9.689 0.000) 11.403 9.240 ( -2.739 11.552 0.000) 11.872 9.275 ( -7.272 -0.854 0.000) 7.322 9.342 ( 1.698 9.464 0.000) 9.615 9.428 ( -5.675 4.664 0.000) 7.346 9.963 ( 8.327 -0.864 0.000) 8.371 10.024 ( 6.816 2.009 0.000) 7.106 10.068 ( 0.322 4.478 0.000) 4.490 10.192 ( 8.743 -2.114 0.000) 8.995 10.255 ( -1.744 5.413 0.000) 5.687 10.462 ( -6.397 -3.594 0.000) 7.337 10.675 ( 2.846 -0.591 0.000) 2.907 10.699 ( 0.863 0.698 0.000) 1.110 11.075 ( -0.468 1.541 0.000) 1.611 11.257 ( -19.994 6.129 0.000) 20.912 11.569 ( 7.166 -0.711 0.000) 7.201 11.613 ( 5.532 -3.230 0.000) 6.406 11.983 ( -2.733 -1.525 0.000) 3.130 12.040 ( -9.682 1.097 0.000) 9.744 12.485 ( 1.290 -7.357 0.000) 7.470 12.493 ( 0.579 -6.705 0.000) 6.730 12.547 ( -0.942 -3.975 0.000) 4.085 12.555 ( -2.119 -4.651 0.000) 5.111 12.894 ( 4.796 8.394 0.000) 9.667 12.957 ( -1.300 10.318 0.000) 10.400 13.905 ( -0.094 -4.922 0.000) 4.923 13.949 ( -4.144 -4.898 0.000) 6.416 14.168 ( 0.889 -7.479 0.000) 7.531 14.178 ( -0.398 -7.378 0.000) 7.389 16.148 ( 2.591 0.521 0.000) 2.643 16.173 ( -0.059 1.189 0.000) 1.190 16.496 ( 8.025 -1.558 0.000) 8.175 16.663 ( -8.662 1.370 0.000) 8.770 17.508 ( 3.040 -9.583 0.000) 10.054 17.569 ( -2.814 -9.137 0.000) 9.560 17.882 ( 3.343 -9.258 0.000) 9.843 17.964 ( -4.971 -10.024 0.000) 11.189 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 30.512 0.000) 30.512 1.383 ( 0.000 32.685 0.000) 32.685 2.420 ( 0.000 16.700 0.000) 16.700 2.501 ( 0.000 14.850 0.000) 14.850 2.643 ( 0.000 4.327 0.000) 4.327 2.686 ( 0.000 50.955 0.000) 50.955 2.926 ( 0.000 24.415 0.000) 24.415 2.969 ( 0.000 23.792 0.000) 23.792 3.060 ( 0.000 16.345 0.000) 16.345 3.120 ( 0.000 1.729 0.000) 1.729 3.236 ( 0.000 3.171 0.000) 3.171 3.293 ( 0.000 -0.424 0.000) 0.424 3.451 ( 0.000 31.504 0.000) 31.504 3.500 ( 0.000 28.339 0.000) 28.339 3.533 ( 0.000 19.186 0.000) 19.186 3.793 ( 0.000 9.592 0.000) 9.592 3.799 ( 0.000 19.783 0.000) 19.783 3.963 ( 0.000 3.197 0.000) 3.197 4.029 ( 0.000 15.660 0.000) 15.660 4.111 ( 0.000 6.116 0.000) 6.116 4.262 ( 0.000 26.899 0.000) 26.899 4.561 ( 0.000 4.821 0.000) 4.821 4.637 ( 0.000 17.485 0.000) 17.485 4.807 ( 0.000 15.960 0.000) 15.960 4.847 ( 0.000 28.626 0.000) 28.626 4.856 ( 0.000 26.104 0.000) 26.104 5.238 ( 0.000 -0.205 0.000) 0.205 5.328 ( 0.000 4.797 0.000) 4.797 5.389 ( 0.000 26.753 0.000) 26.753 5.664 ( 0.000 -0.754 0.000) 0.754 5.967 ( 0.000 3.424 0.000) 3.424 6.047 ( 0.000 2.957 0.000) 2.957 6.199 ( 0.000 -4.151 0.000) 4.151 6.250 ( 0.000 -0.962 0.000) 0.962 6.436 ( 0.000 0.824 0.000) 0.824 6.594 ( 0.000 -3.493 0.000) 3.493 6.662 ( 0.000 2.832 0.000) 2.832 7.060 ( 0.000 -5.054 0.000) 5.054 7.280 ( 0.000 -8.214 0.000) 8.214 7.605 ( 0.000 -13.186 0.000) 13.186 8.205 ( 0.000 -6.849 0.000) 6.849 8.443 ( 0.000 -0.269 0.000) 0.269 8.634 ( 0.000 -8.051 0.000) 8.051 8.759 ( 0.000 -0.146 0.000) 0.146 8.773 ( 0.000 19.541 0.000) 19.541 8.806 ( 0.000 1.086 0.000) 1.086 8.808 ( 0.000 8.471 0.000) 8.471 9.233 ( 0.000 -7.706 0.000) 7.706 9.439 ( 0.000 21.228 0.000) 21.228 9.450 ( 0.000 0.408 0.000) 0.408 9.513 ( 0.000 18.729 0.000) 18.729 9.721 ( 0.000 7.375 0.000) 7.375 9.773 ( 0.000 18.383 0.000) 18.383 9.881 ( 0.000 2.178 0.000) 2.178 9.999 ( 0.000 3.674 0.000) 3.674 10.207 ( 0.000 4.576 0.000) 4.576 10.530 ( 0.000 0.524 0.000) 0.524 10.540 ( 0.000 -1.825 0.000) 1.825 10.661 ( 0.000 13.200 0.000) 13.200 10.863 ( 0.000 6.286 0.000) 6.286 10.904 ( 0.000 -8.046 0.000) 8.046 11.235 ( 0.000 -3.350 0.000) 3.350 11.622 ( 0.000 3.957 0.000) 3.957 11.904 ( 0.000 -7.229 0.000) 7.229 11.991 ( 0.000 -1.751 0.000) 1.751 12.225 ( 0.000 -0.050 0.000) 0.050 12.265 ( 0.000 -8.750 0.000) 8.750 12.308 ( 0.000 -5.891 0.000) 5.891 12.567 ( 0.000 -1.631 0.000) 1.631 12.908 ( 0.000 8.858 0.000) 8.858 12.930 ( 0.000 0.994 0.000) 0.994 13.138 ( 0.000 7.052 0.000) 7.052 13.782 ( 0.000 -16.137 0.000) 16.137 13.852 ( 0.000 -12.202 0.000) 12.202 13.962 ( 0.000 -14.322 0.000) 14.322 13.993 ( 0.000 -7.796 0.000) 7.796 16.036 ( 0.000 -0.553 0.000) 0.553 16.159 ( 0.000 -2.741 0.000) 2.741 16.216 ( 0.000 -4.257 0.000) 4.257 17.045 ( 0.000 -6.893 0.000) 6.893 17.146 ( 0.000 -10.951 0.000) 10.951 17.383 ( 0.000 -15.619 0.000) 15.619 17.555 ( 0.000 -15.486 0.000) 15.486 17.811 ( 0.000 -19.000 0.000) 19.000 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 14.821 26.024 0.000) 29.949 1.503 ( 11.253 28.963 0.000) 31.072 2.363 ( -5.857 11.268 0.000) 12.700 2.612 ( -3.103 7.073 0.000) 7.724 2.740 ( 18.121 10.189 0.000) 20.789 2.803 ( 11.785 49.998 0.000) 51.369 2.871 ( -14.481 13.241 0.000) 19.622 2.962 ( -0.783 22.420 0.000) 22.433 2.978 ( 3.708 26.833 0.000) 27.088 3.034 ( -3.759 4.152 0.000) 5.600 3.308 ( 2.098 7.870 0.000) 8.144 3.415 ( 6.631 6.162 0.000) 9.052 3.443 ( -1.623 19.079 0.000) 19.148 3.519 ( 6.656 28.829 0.000) 29.587 3.596 ( 4.674 19.474 0.000) 20.027 3.676 ( -5.555 13.443 0.000) 14.546 3.747 ( -5.724 9.299 0.000) 10.920 3.939 ( -3.206 10.418 0.000) 10.901 4.057 ( 4.700 12.960 0.000) 13.786 4.221 ( 4.580 11.627 0.000) 12.496 4.274 ( 1.727 21.998 0.000) 22.066 4.472 ( -11.357 23.587 0.000) 26.178 4.602 ( 2.342 0.154 0.000) 2.347 4.809 ( -3.199 28.387 0.000) 28.567 4.820 ( -2.198 28.326 0.000) 28.411 5.011 ( 14.705 12.382 0.000) 19.224 5.137 ( -10.615 1.656 0.000) 10.744 5.330 ( 0.638 12.460 0.000) 12.476 5.423 ( 2.562 17.885 0.000) 18.067 5.628 ( -4.284 0.723 0.000) 4.345 5.810 ( -4.151 -5.043 0.000) 6.532 6.055 ( -8.943 -0.174 0.000) 8.945 6.181 ( -11.411 8.592 0.000) 14.284 6.281 ( 8.061 0.832 0.000) 8.103 6.286 ( -1.098 -4.302 0.000) 4.440 6.631 ( -5.322 0.124 0.000) 5.323 6.781 ( 11.168 -2.320 0.000) 11.406 7.001 ( -1.680 -2.081 0.000) 2.675 7.265 ( -1.462 -7.606 0.000) 7.745 7.548 ( -6.123 -9.617 0.000) 11.401 8.305 ( 7.625 -6.188 0.000) 9.820 8.439 ( -0.287 0.095 0.000) 0.303 8.666 ( -3.712 4.935 0.000) 6.175 8.695 ( 4.846 -1.758 0.000) 5.155 8.765 ( 0.440 11.745 0.000) 11.754 8.874 ( 2.655 1.146 0.000) 2.892 8.881 ( 5.487 0.250 0.000) 5.493 9.259 ( 0.180 -5.762 0.000) 5.765 9.429 ( -0.364 21.437 0.000) 21.440 9.526 ( 1.541 15.972 0.000) 16.046 9.540 ( 5.531 4.258 0.000) 6.980 9.667 ( -4.492 6.446 0.000) 7.857 9.765 ( 2.946 14.489 0.000) 14.785 9.926 ( 4.870 4.093 0.000) 6.362 10.071 ( 5.899 4.348 0.000) 7.328 10.204 ( -0.485 5.122 0.000) 5.145 10.481 ( -5.734 1.973 0.000) 6.064 10.513 ( -1.715 1.323 0.000) 2.166 10.632 ( -0.086 5.069 0.000) 5.070 10.788 ( -4.583 5.674 0.000) 7.294 11.020 ( 8.143 -1.709 0.000) 8.321 11.345 ( 8.683 -5.021 0.000) 10.030 11.553 ( -4.903 2.350 0.000) 5.437 11.748 ( -16.307 -4.000 0.000) 16.791 11.981 ( -1.388 -2.395 0.000) 2.768 12.196 ( -2.591 -0.965 0.000) 2.765 12.289 ( 2.448 -7.704 0.000) 8.083 12.342 ( 2.691 -3.332 0.000) 4.283 12.545 ( -2.210 -1.324 0.000) 2.577 12.694 ( -14.355 1.783 0.000) 14.465 12.981 ( 2.832 8.892 0.000) 9.332 13.155 ( 1.178 7.815 0.000) 7.903 13.748 ( -1.732 -14.001 0.000) 14.108 13.891 ( -5.535 -12.143 0.000) 13.345 13.912 ( 3.421 -13.497 0.000) 13.924 13.993 ( -0.719 -11.125 0.000) 11.148 16.076 ( 3.554 -0.641 0.000) 3.612 16.165 ( 0.544 -2.287 0.000) 2.351 16.284 ( 6.463 -3.818 0.000) 7.507 16.895 ( -10.787 -2.223 0.000) 11.013 17.201 ( 2.876 -13.872 0.000) 14.167 17.367 ( -1.591 -15.608 0.000) 15.689 17.579 ( 2.103 -15.608 0.000) 15.749 17.771 ( -3.580 -18.363 0.000) 18.709 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 16.690 21.442 0.000) 27.172 1.828 ( 25.143 17.182 0.000) 30.453 2.135 ( -15.326 15.399 0.000) 21.726 2.346 ( -23.463 14.404 0.000) 27.532 2.743 ( 2.970 8.511 0.000) 9.014 2.860 ( -7.177 10.903 0.000) 13.053 3.002 ( 6.317 23.682 0.000) 24.510 3.036 ( 1.451 26.463 0.000) 26.503 3.079 ( 9.152 20.108 0.000) 22.092 3.176 ( 16.789 13.015 0.000) 21.242 3.234 ( -6.234 18.621 0.000) 19.637 3.436 ( -6.613 7.965 0.000) 10.352 3.540 ( 4.513 8.767 0.000) 9.861 3.593 ( -4.001 4.469 0.000) 5.999 3.605 ( 8.622 33.563 0.000) 34.653 3.698 ( 2.517 21.310 0.000) 21.458 3.716 ( 4.172 17.016 0.000) 17.520 3.884 ( -7.333 22.059 0.000) 23.246 4.120 ( 1.376 10.927 0.000) 11.013 4.136 ( -6.094 12.853 0.000) 14.225 4.339 ( 4.397 16.117 0.000) 16.706 4.381 ( 0.604 20.627 0.000) 20.635 4.611 ( 0.908 5.842 0.000) 5.912 4.752 ( -5.583 27.289 0.000) 27.854 4.798 ( 0.186 22.192 0.000) 22.193 4.855 ( -11.682 3.141 0.000) 12.097 5.296 ( 11.418 10.654 0.000) 15.617 5.366 ( 2.800 18.782 0.000) 18.989 5.451 ( -0.525 4.133 0.000) 4.166 5.504 ( -6.625 1.803 0.000) 6.866 5.855 ( 7.616 -5.630 0.000) 9.471 5.920 ( -3.289 6.280 0.000) 7.089 5.971 ( -5.760 9.513 0.000) 11.121 6.128 ( -13.965 -7.776 0.000) 15.984 6.440 ( 5.587 1.112 0.000) 5.696 6.517 ( -3.533 0.602 0.000) 3.584 6.995 ( 8.689 -0.023 0.000) 8.689 7.037 ( 2.846 0.122 0.000) 2.849 7.240 ( 0.545 -6.781 0.000) 6.803 7.369 ( -10.394 -6.106 0.000) 12.055 8.412 ( 2.363 -2.644 0.000) 3.546 8.433 ( -0.414 -0.232 0.000) 0.474 8.668 ( 3.301 8.493 0.000) 9.112 8.731 ( -1.823 15.860 0.000) 15.964 8.822 ( 4.603 -5.054 0.000) 6.836 8.889 ( -1.484 -1.670 0.000) 2.234 9.017 ( 8.092 -4.897 0.000) 9.458 9.181 ( -7.262 -4.726 0.000) 8.665 9.456 ( 3.075 18.240 0.000) 18.497 9.530 ( -3.012 16.170 0.000) 16.448 9.557 ( 0.212 11.925 0.000) 11.927 9.587 ( -2.793 9.869 0.000) 10.257 9.982 ( 13.385 3.890 0.000) 13.939 10.067 ( 8.092 2.369 0.000) 8.432 10.162 ( -4.588 5.084 0.000) 6.848 10.171 ( 0.924 0.927 0.000) 1.309 10.382 ( -0.992 6.673 0.000) 6.746 10.452 ( -4.523 3.032 0.000) 5.445 10.684 ( 5.005 1.879 0.000) 5.346 10.746 ( -0.362 3.866 0.000) 3.883 11.127 ( 3.032 4.187 0.000) 5.170 11.339 ( -19.414 1.634 0.000) 19.483 11.512 ( 5.719 -6.352 0.000) 8.547 11.529 ( 2.669 -3.476 0.000) 4.382 11.954 ( 0.428 -0.963 0.000) 1.054 12.070 ( -9.451 1.905 0.000) 9.641 12.356 ( 3.930 -5.697 0.000) 6.921 12.404 ( 3.000 -1.333 0.000) 3.283 12.465 ( -6.859 -3.859 0.000) 7.870 12.484 ( -3.612 -1.470 0.000) 3.900 13.071 ( 5.488 9.025 0.000) 10.563 13.154 ( -2.000 9.064 0.000) 9.282 13.732 ( 0.482 -12.622 0.000) 12.631 13.781 ( -4.475 -12.506 0.000) 13.282 13.956 ( 1.167 -13.629 0.000) 13.679 13.974 ( -0.914 -12.877 0.000) 12.909 16.147 ( 2.745 -1.061 0.000) 2.943 16.174 ( -0.075 -1.606 0.000) 1.608 16.455 ( 10.041 -2.458 0.000) 10.338 16.670 ( -11.223 -1.039 0.000) 11.271 17.259 ( 3.071 -15.161 0.000) 15.469 17.321 ( -2.911 -15.526 0.000) 15.797 17.627 ( 2.676 -16.088 0.000) 16.309 17.691 ( -3.816 -17.068 0.000) 17.489 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.000 26.068 0.000) 26.068 1.978 ( 0.000 27.391 0.000) 27.391 2.638 ( 0.000 10.613 0.000) 10.613 2.735 ( 0.000 4.778 0.000) 4.778 2.839 ( 0.000 18.015 0.000) 18.015 3.115 ( 0.000 0.065 0.000) 0.065 3.169 ( 0.000 3.882 0.000) 3.882 3.241 ( 0.000 -0.346 0.000) 0.346 3.347 ( 0.000 13.024 0.000) 13.024 3.454 ( 0.000 24.739 0.000) 24.739 3.457 ( 0.000 10.809 0.000) 10.809 3.629 ( 0.000 30.544 0.000) 30.544 3.844 ( 0.000 19.465 0.000) 19.465 3.942 ( 0.000 13.126 0.000) 13.126 4.022 ( 0.000 17.018 0.000) 17.018 4.051 ( 0.000 12.523 0.000) 12.523 4.120 ( 0.000 13.283 0.000) 13.283 4.205 ( 0.000 8.227 0.000) 8.227 4.311 ( 0.000 14.413 0.000) 14.413 4.344 ( 0.000 43.242 0.000) 43.242 4.635 ( 0.000 3.551 0.000) 3.551 4.721 ( 0.000 18.523 0.000) 18.523 5.036 ( 0.000 12.241 0.000) 12.241 5.112 ( 0.000 11.785 0.000) 11.785 5.125 ( 0.000 8.531 0.000) 8.531 5.478 ( 0.000 8.510 0.000) 8.510 5.498 ( 0.000 36.091 0.000) 36.091 5.581 ( 0.000 32.625 0.000) 32.625 5.726 ( 0.000 9.141 0.000) 9.141 6.046 ( 0.000 37.001 0.000) 37.001 6.056 ( 0.000 -1.677 0.000) 1.677 6.150 ( 0.000 1.294 0.000) 1.294 6.177 ( 0.000 18.184 0.000) 18.184 6.215 ( 0.000 -2.502 0.000) 2.502 6.557 ( 0.000 0.632 0.000) 0.632 6.628 ( 0.000 19.436 0.000) 19.436 6.730 ( 0.000 3.915 0.000) 3.915 6.962 ( 0.000 -4.359 0.000) 4.359 7.098 ( 0.000 -9.958 0.000) 9.958 7.363 ( 0.000 -10.253 0.000) 10.253 8.086 ( 0.000 -4.970 0.000) 4.970 8.365 ( 0.000 -6.471 0.000) 6.471 8.468 ( 0.000 -8.402 0.000) 8.402 8.760 ( 0.000 0.382 0.000) 0.382 8.792 ( 0.000 -9.557 0.000) 9.557 8.829 ( 0.000 1.024 0.000) 1.024 9.023 ( 0.000 5.690 0.000) 5.690 9.170 ( 0.000 0.705 0.000) 0.705 9.528 ( 0.000 5.853 0.000) 5.853 9.755 ( 0.000 0.195 0.000) 0.195 9.775 ( 0.000 8.526 0.000) 8.526 9.797 ( 0.000 9.531 0.000) 9.531 9.989 ( 0.000 8.978 0.000) 8.978 10.107 ( 0.000 7.453 0.000) 7.453 10.189 ( 0.000 21.102 0.000) 21.102 10.250 ( 0.000 -0.524 0.000) 0.524 10.508 ( 0.000 -3.338 0.000) 3.338 10.597 ( 0.000 6.812 0.000) 6.812 10.820 ( 0.000 2.820 0.000) 2.820 10.977 ( 0.000 17.975 0.000) 17.975 11.027 ( 0.000 9.996 0.000) 9.996 11.163 ( 0.000 -4.150 0.000) 4.150 11.678 ( 0.000 1.493 0.000) 1.493 11.757 ( 0.000 -7.490 0.000) 7.490 11.979 ( 0.000 0.820 0.000) 0.820 12.128 ( 0.000 -4.750 0.000) 4.750 12.213 ( 0.000 -1.482 0.000) 1.482 12.305 ( 0.000 5.609 0.000) 5.609 12.516 ( 0.000 -3.440 0.000) 3.440 12.946 ( 0.000 0.634 0.000) 0.634 13.051 ( 0.000 4.339 0.000) 4.339 13.156 ( 0.000 -7.389 0.000) 7.389 13.420 ( 0.000 -19.816 0.000) 19.816 13.626 ( 0.000 -9.020 0.000) 9.020 13.681 ( 0.000 -12.176 0.000) 12.176 13.786 ( 0.000 -13.304 0.000) 13.304 16.029 ( 0.000 -0.029 0.000) 0.029 16.061 ( 0.000 -7.071 0.000) 7.071 16.140 ( 0.000 -3.253 0.000) 3.253 16.881 ( 0.000 -9.713 0.000) 9.713 16.903 ( 0.000 -13.324 0.000) 13.324 17.037 ( 0.000 -18.960 0.000) 18.960 17.210 ( 0.000 -18.885 0.000) 18.885 17.409 ( 0.000 -20.989 0.000) 20.989 ======================= Grid point 16 (11/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 8.938 24.456 0.000) 26.038 2.043 ( 6.269 25.260 0.000) 26.027 2.605 ( -4.108 12.704 0.000) 13.352 2.745 ( 1.652 6.230 0.000) 6.445 2.928 ( 7.334 7.570 0.000) 10.540 3.043 ( -13.829 4.725 0.000) 14.615 3.160 ( 3.421 11.061 0.000) 11.578 3.313 ( 7.261 8.634 0.000) 11.281 3.344 ( 5.982 1.266 0.000) 6.115 3.400 ( -4.029 20.416 0.000) 20.809 3.532 ( 0.609 10.665 0.000) 10.683 3.688 ( 5.527 24.646 0.000) 25.258 3.751 ( -8.384 16.268 0.000) 18.301 3.884 ( -2.663 16.602 0.000) 16.814 3.957 ( -2.789 10.123 0.000) 10.500 4.018 ( -0.549 22.229 0.000) 22.236 4.106 ( -5.083 7.929 0.000) 9.418 4.258 ( 10.281 15.143 0.000) 18.303 4.402 ( 4.945 40.855 0.000) 41.153 4.534 ( 11.382 16.700 0.000) 20.210 4.558 ( -6.289 5.861 0.000) 8.596 4.758 ( 2.958 16.605 0.000) 16.867 4.932 ( -7.196 16.959 0.000) 18.423 5.069 ( -4.028 2.780 0.000) 4.894 5.238 ( 7.908 9.747 0.000) 12.551 5.421 ( -3.779 23.962 0.000) 24.258 5.494 ( -2.001 14.449 0.000) 14.587 5.538 ( -7.194 34.283 0.000) 35.030 5.716 ( -0.492 6.349 0.000) 6.368 5.825 ( -8.150 10.026 0.000) 12.921 6.017 ( -3.956 30.451 0.000) 30.707 6.137 ( 1.338 13.875 0.000) 13.939 6.192 ( -4.401 -4.199 0.000) 6.083 6.373 ( 6.287 11.433 0.000) 13.048 6.470 ( -2.582 18.208 0.000) 18.390 6.649 ( -6.085 2.582 0.000) 6.610 6.763 ( 9.634 2.489 0.000) 9.950 6.980 ( 2.376 0.069 0.000) 2.377 7.097 ( -0.100 -8.882 0.000) 8.883 7.350 ( -2.686 -9.777 0.000) 10.139 8.178 ( 7.663 -6.037 0.000) 9.756 8.363 ( -0.145 -6.419 0.000) 6.420 8.570 ( 8.872 -7.430 0.000) 11.572 8.692 ( -3.576 -2.550 0.000) 4.392 8.836 ( 0.471 -1.973 0.000) 2.029 8.838 ( 3.469 -3.664 0.000) 5.046 8.996 ( -2.282 6.008 0.000) 6.427 9.179 ( -1.864 -2.866 0.000) 3.418 9.631 ( 8.720 5.305 0.000) 10.207 9.711 ( -1.337 1.079 0.000) 1.718 9.786 ( -0.648 10.887 0.000) 10.906 9.789 ( 0.975 8.841 0.000) 8.894 10.062 ( -1.649 12.179 0.000) 12.290 10.066 ( 4.782 9.331 0.000) 10.485 10.233 ( 1.747 11.172 0.000) 11.308 10.261 ( 0.928 0.585 0.000) 1.097 10.492 ( -0.245 1.569 0.000) 1.588 10.598 ( -0.250 7.523 0.000) 7.527 10.758 ( -3.345 6.769 0.000) 7.550 10.918 ( -6.189 6.513 0.000) 8.985 11.110 ( 9.645 11.464 0.000) 14.981 11.245 ( 4.614 -4.422 0.000) 6.391 11.583 ( -7.944 0.568 0.000) 7.965 11.646 ( -10.667 -5.457 0.000) 11.981 11.948 ( -2.218 -0.822 0.000) 2.365 12.177 ( 4.170 -3.272 0.000) 5.301 12.185 ( -1.249 0.024 0.000) 1.250 12.372 ( 4.334 5.772 0.000) 7.218 12.521 ( -0.010 -1.007 0.000) 1.008 12.727 ( -16.372 1.770 0.000) 16.467 13.104 ( 3.392 1.256 0.000) 3.617 13.196 ( 3.585 -6.470 0.000) 7.397 13.440 ( 0.741 -15.767 0.000) 15.784 13.622 ( -5.784 -11.958 0.000) 13.283 13.644 ( 1.433 -11.675 0.000) 11.763 13.750 ( -2.839 -13.961 0.000) 14.247 16.055 ( 2.356 -1.558 0.000) 2.825 16.078 ( 1.504 -6.360 0.000) 6.535 16.219 ( 7.287 -2.559 0.000) 7.723 16.802 ( -7.099 -6.737 0.000) 9.787 16.909 ( 0.528 -15.500 0.000) 15.509 17.023 ( -1.431 -18.817 0.000) 18.872 17.233 ( 1.933 -18.948 0.000) 19.046 17.380 ( -2.561 -20.504 0.000) 20.663 ======================= Grid point 17 (12/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 15.742 17.608 0.000) 23.619 2.207 ( 9.058 19.550 0.000) 21.547 2.465 ( -7.721 16.996 0.000) 18.667 2.629 ( -19.245 14.374 0.000) 24.021 2.868 ( 5.072 4.805 0.000) 6.986 2.995 ( -4.225 3.895 0.000) 5.747 3.320 ( 12.228 14.347 0.000) 18.851 3.380 ( 2.955 7.171 0.000) 7.756 3.446 ( -1.021 9.758 0.000) 9.812 3.475 ( 6.912 11.968 0.000) 13.820 3.486 ( -1.639 3.743 0.000) 4.087 3.607 ( -6.367 19.112 0.000) 20.145 3.812 ( 3.953 19.863 0.000) 20.253 3.847 ( -4.747 18.000 0.000) 18.615 3.863 ( 2.186 12.204 0.000) 12.398 3.984 ( -6.645 6.272 0.000) 9.138 4.129 ( 8.894 13.206 0.000) 15.921 4.337 ( -10.596 11.677 0.000) 15.768 4.474 ( 10.338 15.625 0.000) 18.735 4.593 ( 9.132 29.247 0.000) 30.640 4.630 ( -3.030 18.012 0.000) 18.265 4.774 ( -8.379 21.634 0.000) 23.200 4.842 ( 5.934 19.991 0.000) 20.853 4.980 ( -5.579 12.104 0.000) 13.328 5.320 ( -6.744 27.728 0.000) 28.536 5.331 ( -4.743 26.832 0.000) 27.248 5.385 ( 4.811 0.795 0.000) 4.876 5.446 ( -2.100 0.559 0.000) 2.173 5.778 ( 7.522 4.192 0.000) 8.611 5.807 ( 3.477 22.438 0.000) 22.706 5.908 ( -5.976 26.573 0.000) 27.236 6.002 ( -12.753 -2.680 0.000) 13.032 6.213 ( 5.101 24.454 0.000) 24.980 6.322 ( -5.413 24.401 0.000) 24.994 6.532 ( 3.244 10.121 0.000) 10.628 6.573 ( -1.724 6.460 0.000) 6.686 6.987 ( 11.493 -1.458 0.000) 11.586 7.038 ( 2.664 -0.107 0.000) 2.666 7.091 ( -0.324 -7.361 0.000) 7.368 7.227 ( -9.331 -7.945 0.000) 12.256 8.310 ( 4.230 -6.487 0.000) 7.744 8.354 ( -0.899 -6.231 0.000) 6.296 8.686 ( 3.067 -4.206 0.000) 5.205 8.735 ( 2.825 -3.364 0.000) 4.393 8.852 ( 4.041 -8.830 0.000) 9.711 8.907 ( 2.285 2.419 0.000) 3.327 8.966 ( 0.016 5.907 0.000) 5.907 9.058 ( -8.667 -7.254 0.000) 11.302 9.735 ( 2.508 6.649 0.000) 7.106 9.759 ( 2.155 7.146 0.000) 7.464 9.779 ( 0.074 9.983 0.000) 9.983 9.790 ( -1.246 9.067 0.000) 9.152 10.104 ( 4.178 6.414 0.000) 7.655 10.125 ( 1.119 2.838 0.000) 3.050 10.245 ( 1.247 5.829 0.000) 5.961 10.277 ( -0.006 7.053 0.000) 7.053 10.520 ( 2.181 8.504 0.000) 8.779 10.571 ( -2.563 8.616 0.000) 8.989 10.747 ( 3.329 4.461 0.000) 5.566 10.836 ( -3.190 4.949 0.000) 5.888 11.245 ( 1.352 7.038 0.000) 7.167 11.275 ( -3.130 -7.915 0.000) 8.512 11.451 ( -3.691 1.243 0.000) 3.894 11.452 ( -2.683 -3.162 0.000) 4.147 11.959 ( 5.016 1.556 0.000) 5.251 12.119 ( -7.126 3.257 0.000) 7.835 12.269 ( 4.941 -2.737 0.000) 5.649 12.405 ( -8.810 -1.774 0.000) 8.987 12.459 ( 0.295 6.099 0.000) 6.106 12.502 ( -1.882 3.094 0.000) 3.621 13.206 ( 6.428 2.500 0.000) 6.897 13.268 ( 2.087 -0.414 0.000) 2.128 13.432 ( -1.049 -16.660 0.000) 16.693 13.477 ( -6.939 -15.985 0.000) 17.426 13.669 ( 1.081 -13.893 0.000) 13.935 13.698 ( -2.052 -14.234 0.000) 14.381 16.101 ( 1.632 -3.446 0.000) 3.812 16.107 ( 0.945 -4.937 0.000) 5.027 16.404 ( 10.551 -2.670 0.000) 10.883 16.620 ( -10.479 -4.008 0.000) 11.219 16.934 ( 2.025 -17.304 0.000) 17.423 16.982 ( -2.461 -18.322 0.000) 18.486 17.275 ( 2.167 -19.053 0.000) 19.176 17.323 ( -2.764 -19.586 0.000) 19.780 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 20.030 0.000) 20.030 2.443 ( 0.000 19.551 0.000) 19.551 2.829 ( 0.000 4.976 0.000) 4.976 2.848 ( 0.000 10.356 0.000) 10.356 3.087 ( 0.000 5.270 0.000) 5.270 3.095 ( 0.000 -1.428 0.000) 1.428 3.215 ( 0.000 -1.733 0.000) 1.733 3.357 ( 0.000 16.378 0.000) 16.378 3.542 ( 0.000 0.087 0.000) 0.087 3.601 ( 0.000 13.349 0.000) 13.349 3.890 ( 0.000 5.187 0.000) 5.187 3.926 ( 0.000 23.254 0.000) 23.254 4.161 ( 0.000 2.680 0.000) 2.680 4.176 ( 0.000 7.682 0.000) 7.682 4.295 ( 0.000 16.628 0.000) 16.628 4.327 ( 0.000 7.400 0.000) 7.400 4.379 ( 0.000 25.641 0.000) 25.641 4.479 ( 0.000 14.217 0.000) 14.217 4.555 ( 0.000 8.354 0.000) 8.354 4.750 ( 0.000 9.265 0.000) 9.265 4.841 ( 0.000 6.554 0.000) 6.554 5.091 ( 0.000 3.007 0.000) 3.007 5.238 ( 0.000 3.217 0.000) 3.217 5.348 ( 0.000 28.937 0.000) 28.937 5.354 ( 0.000 6.824 0.000) 6.824 5.572 ( 0.000 13.687 0.000) 13.687 5.973 ( 0.000 0.748 0.000) 0.748 6.007 ( 0.000 1.223 0.000) 1.223 6.048 ( 0.000 20.533 0.000) 20.533 6.276 ( 0.000 7.879 0.000) 7.879 6.323 ( 0.000 34.446 0.000) 34.446 6.328 ( 0.000 26.368 0.000) 26.368 6.430 ( 0.000 1.857 0.000) 1.857 6.656 ( 0.000 14.526 0.000) 14.526 6.729 ( 0.000 9.161 0.000) 9.161 6.785 ( 0.000 0.416 0.000) 0.416 6.994 ( 0.000 10.785 0.000) 10.785 7.000 ( 0.000 17.634 0.000) 17.634 7.126 ( 0.000 28.576 0.000) 28.576 7.296 ( 0.000 6.662 0.000) 6.662 8.021 ( 0.000 -1.271 0.000) 1.271 8.244 ( 0.000 -4.474 0.000) 4.474 8.325 ( 0.000 -5.639 0.000) 5.639 8.553 ( 0.000 -12.795 0.000) 12.795 8.775 ( 0.000 1.138 0.000) 1.138 8.843 ( 0.000 0.463 0.000) 0.463 9.052 ( 0.000 -1.326 0.000) 1.326 9.166 ( 0.000 -1.863 0.000) 1.863 9.616 ( 0.000 2.787 0.000) 2.787 9.672 ( 0.000 -4.507 0.000) 4.507 9.909 ( 0.000 0.372 0.000) 0.372 9.913 ( 0.000 6.652 0.000) 6.652 10.184 ( 0.000 -5.878 0.000) 5.878 10.219 ( 0.000 13.677 0.000) 13.677 10.264 ( 0.000 -9.317 0.000) 9.317 10.268 ( 0.000 7.931 0.000) 7.931 10.673 ( 0.000 16.285 0.000) 16.285 10.791 ( 0.000 11.962 0.000) 11.962 10.986 ( 0.000 11.689 0.000) 11.689 11.057 ( 0.000 -7.145 0.000) 7.145 11.221 ( 0.000 8.929 0.000) 8.929 11.321 ( 0.000 15.794 0.000) 15.794 11.620 ( 0.000 -6.284 0.000) 6.284 11.693 ( 0.000 1.013 0.000) 1.013 12.031 ( 0.000 4.551 0.000) 4.551 12.075 ( 0.000 -1.621 0.000) 1.621 12.155 ( 0.000 -4.616 0.000) 4.616 12.444 ( 0.000 -3.446 0.000) 3.446 12.458 ( 0.000 5.578 0.000) 5.578 12.841 ( 0.000 -21.949 0.000) 21.949 12.937 ( 0.000 -2.924 0.000) 2.924 13.049 ( 0.000 -3.267 0.000) 3.267 13.084 ( 0.000 -9.600 0.000) 9.600 13.477 ( 0.000 -17.752 0.000) 17.752 13.506 ( 0.000 -7.299 0.000) 7.299 13.547 ( 0.000 0.218 0.000) 0.218 15.900 ( 0.000 -8.611 0.000) 8.611 16.038 ( 0.000 1.091 0.000) 1.091 16.085 ( 0.000 -2.620 0.000) 2.620 16.640 ( 0.000 -12.970 0.000) 12.970 16.662 ( 0.000 -18.645 0.000) 18.645 16.663 ( 0.000 -12.502 0.000) 12.502 16.843 ( 0.000 -17.635 0.000) 17.635 17.017 ( 0.000 -18.221 0.000) 18.221 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 6.358 19.298 0.000) 20.318 2.472 ( 2.767 17.953 0.000) 18.165 2.841 ( -2.224 10.931 0.000) 11.155 2.853 ( 3.091 5.027 0.000) 5.901 3.022 ( -0.740 2.958 0.000) 3.049 3.086 ( -5.072 0.337 0.000) 5.083 3.321 ( 5.797 -1.723 0.000) 6.048 3.438 ( 7.886 14.366 0.000) 16.388 3.492 ( 2.630 8.536 0.000) 8.932 3.613 ( -4.230 2.960 0.000) 5.163 3.735 ( -7.987 14.674 0.000) 16.706 4.015 ( 3.230 15.276 0.000) 15.614 4.045 ( -1.499 9.624 0.000) 9.740 4.161 ( -7.252 6.498 0.000) 9.737 4.246 ( -4.281 13.162 0.000) 13.841 4.347 ( -3.015 15.954 0.000) 16.236 4.415 ( 7.163 12.753 0.000) 14.627 4.460 ( -0.837 18.972 0.000) 18.990 4.701 ( -4.334 10.927 0.000) 11.755 4.740 ( 13.030 4.039 0.000) 13.641 4.865 ( 2.279 7.234 0.000) 7.585 5.047 ( -3.144 2.122 0.000) 3.793 5.182 ( -5.435 5.391 0.000) 7.655 5.366 ( 0.804 15.953 0.000) 15.973 5.367 ( 1.321 3.689 0.000) 3.919 5.552 ( -0.680 22.868 0.000) 22.878 5.876 ( -10.648 4.296 0.000) 11.482 5.891 ( -4.701 8.536 0.000) 9.745 6.107 ( 2.766 18.556 0.000) 18.761 6.267 ( -2.937 36.698 0.000) 36.815 6.270 ( -0.692 13.978 0.000) 13.995 6.396 ( 1.588 20.073 0.000) 20.135 6.561 ( 10.149 -0.772 0.000) 10.178 6.562 ( -2.559 10.018 0.000) 10.340 6.739 ( 0.776 6.857 0.000) 6.900 6.858 ( 3.929 13.549 0.000) 14.107 7.007 ( 0.186 10.418 0.000) 10.419 7.017 ( 1.403 15.320 0.000) 15.385 7.111 ( -0.944 25.502 0.000) 25.519 7.272 ( -2.601 6.924 0.000) 7.396 8.089 ( 5.843 -2.542 0.000) 6.372 8.248 ( 0.306 -3.993 0.000) 4.005 8.426 ( 9.311 -6.357 0.000) 11.274 8.556 ( 0.062 -9.343 0.000) 9.343 8.800 ( -4.096 -1.230 0.000) 4.277 8.811 ( 4.769 0.533 0.000) 4.798 9.053 ( 0.101 0.390 0.000) 0.402 9.116 ( -6.330 -3.478 0.000) 7.223 9.681 ( 2.848 -2.625 0.000) 3.873 9.696 ( 6.798 1.350 0.000) 6.931 9.902 ( -0.413 1.101 0.000) 1.176 9.918 ( 0.408 5.404 0.000) 5.419 10.183 ( -1.098 -2.705 0.000) 2.920 10.224 ( -3.313 -4.990 0.000) 5.990 10.284 ( 1.877 7.114 0.000) 7.357 10.319 ( 7.835 10.257 0.000) 12.907 10.685 ( 0.293 11.903 0.000) 11.907 10.790 ( -0.643 10.563 0.000) 10.582 10.934 ( -3.814 11.521 0.000) 12.135 10.968 ( -3.882 -2.375 0.000) 4.551 11.209 ( -4.854 0.979 0.000) 4.952 11.375 ( 4.051 12.805 0.000) 13.431 11.567 ( -3.592 -1.844 0.000) 4.038 11.591 ( -8.970 1.336 0.000) 9.069 11.947 ( -2.533 0.395 0.000) 2.564 12.164 ( 1.552 -3.028 0.000) 3.403 12.172 ( 5.000 2.746 0.000) 5.704 12.506 ( 4.773 -0.771 0.000) 4.835 12.517 ( 3.195 5.123 0.000) 6.038 12.769 ( -15.512 2.748 0.000) 15.754 12.881 ( 4.082 -21.858 0.000) 22.236 12.962 ( 1.048 -10.788 0.000) 10.839 13.193 ( 2.111 -9.669 0.000) 9.897 13.409 ( -6.260 -15.705 0.000) 16.906 13.503 ( -0.401 -7.383 0.000) 7.394 13.535 ( -1.126 -0.312 0.000) 1.169 15.933 ( 2.948 -7.747 0.000) 8.289 16.021 ( -0.069 -1.694 0.000) 1.696 16.181 ( 7.190 -1.632 0.000) 7.372 16.595 ( -2.630 -14.976 0.000) 15.205 16.651 ( -1.009 -18.375 0.000) 18.403 16.655 ( -2.735 -9.075 0.000) 9.479 16.861 ( 1.945 -18.274 0.000) 18.377 16.996 ( -1.920 -17.943 0.000) 18.046 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 7.747 15.135 0.000) 17.002 2.539 ( 3.062 14.138 0.000) 14.465 2.765 ( -2.559 12.780 0.000) 13.033 2.874 ( -11.835 8.711 0.000) 14.695 2.960 ( 6.198 5.616 0.000) 8.364 3.050 ( -0.534 2.376 0.000) 2.436 3.400 ( 2.641 -0.940 0.000) 2.804 3.485 ( -5.989 -0.377 0.000) 6.001 3.625 ( 8.851 10.007 0.000) 13.360 3.640 ( 6.977 10.390 0.000) 12.515 3.685 ( 5.001 14.855 0.000) 15.674 3.915 ( -13.657 8.329 0.000) 15.996 4.064 ( 2.038 12.204 0.000) 12.373 4.087 ( 1.277 7.232 0.000) 7.344 4.150 ( -3.274 12.764 0.000) 13.177 4.228 ( -7.848 11.386 0.000) 13.829 4.478 ( 2.992 19.431 0.000) 19.660 4.543 ( -0.117 15.676 0.000) 15.677 4.653 ( 5.005 10.215 0.000) 11.375 4.814 ( -6.678 8.398 0.000) 10.730 4.933 ( 4.548 7.967 0.000) 9.174 5.046 ( -6.272 7.491 0.000) 9.770 5.148 ( 12.578 -1.748 0.000) 12.699 5.343 ( -3.885 0.383 0.000) 3.903 5.399 ( 2.028 0.769 0.000) 2.169 5.502 ( -7.679 9.293 0.000) 12.055 5.729 ( 0.455 25.457 0.000) 25.461 5.805 ( -4.425 21.237 0.000) 21.694 6.138 ( 1.587 26.079 0.000) 26.128 6.209 ( -4.801 21.749 0.000) 22.272 6.267 ( 2.753 25.321 0.000) 25.471 6.339 ( -4.002 16.854 0.000) 17.322 6.631 ( 5.336 12.798 0.000) 13.866 6.698 ( -0.300 9.184 0.000) 9.189 6.818 ( 9.235 -5.611 0.000) 10.806 6.928 ( 3.320 20.047 0.000) 20.320 6.972 ( -4.540 1.010 0.000) 4.651 6.997 ( -3.121 25.801 0.000) 25.989 7.131 ( 2.728 15.326 0.000) 15.567 7.199 ( -3.994 11.139 0.000) 11.833 8.201 ( 4.167 -3.821 0.000) 5.654 8.247 ( -0.784 -3.669 0.000) 3.751 8.583 ( 3.515 -5.393 0.000) 6.437 8.655 ( 11.266 -8.235 0.000) 13.955 8.694 ( -4.585 -1.789 0.000) 4.922 8.915 ( -10.976 -4.108 0.000) 11.719 8.952 ( 5.897 -0.332 0.000) 5.907 9.043 ( -1.887 1.670 0.000) 2.520 9.777 ( 4.776 -1.072 0.000) 4.895 9.809 ( 2.519 -0.667 0.000) 2.606 9.908 ( 1.171 3.275 0.000) 3.478 9.922 ( -0.021 4.456 0.000) 4.456 10.137 ( -2.589 -1.937 0.000) 3.234 10.147 ( -3.592 -2.366 0.000) 4.301 10.382 ( 7.228 8.259 0.000) 10.975 10.434 ( 2.639 7.627 0.000) 8.071 10.660 ( -0.904 2.810 0.000) 2.951 10.739 ( -5.361 7.021 0.000) 8.833 10.904 ( 1.037 12.137 0.000) 12.181 10.955 ( -2.420 8.244 0.000) 8.592 11.102 ( 3.136 -8.798 0.000) 9.340 11.309 ( -12.146 -0.769 0.000) 12.170 11.494 ( 1.194 7.477 0.000) 7.572 11.519 ( -1.427 5.055 0.000) 5.253 12.007 ( 8.970 2.796 0.000) 9.396 12.182 ( -2.486 1.932 0.000) 3.148 12.252 ( 3.084 0.680 0.000) 3.158 12.375 ( -13.126 -1.596 0.000) 13.223 12.589 ( 3.059 5.089 0.000) 5.938 12.624 ( -0.599 9.460 0.000) 9.479 12.991 ( 5.758 -20.789 0.000) 21.572 13.021 ( 3.738 -16.687 0.000) 17.100 13.179 ( -1.637 -11.443 0.000) 11.560 13.254 ( -8.036 -13.162 0.000) 15.422 13.498 ( 0.106 -4.982 0.000) 4.983 13.510 ( -1.084 -2.260 0.000) 2.507 15.996 ( 2.686 -5.904 0.000) 6.487 16.025 ( -0.223 -3.919 0.000) 3.925 16.343 ( 8.602 -3.870 0.000) 9.432 16.507 ( -7.099 -8.438 0.000) 11.027 16.608 ( -0.282 -14.348 0.000) 14.350 16.625 ( -1.422 -17.309 0.000) 17.367 16.906 ( 2.288 -17.761 0.000) 17.908 16.951 ( -2.298 -17.573 0.000) 17.722 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 0.000 14.503 0.000) 14.503 2.732 ( 0.000 9.793 0.000) 9.793 2.947 ( 0.000 7.385 0.000) 7.385 3.028 ( 0.000 7.477 0.000) 7.477 3.067 ( 0.000 -1.400 0.000) 1.400 3.136 ( 0.000 1.150 0.000) 1.150 3.180 ( 0.000 -1.612 0.000) 1.612 3.509 ( 0.000 -2.881 0.000) 2.881 3.692 ( 0.000 15.607 0.000) 15.607 3.872 ( 0.000 13.659 0.000) 13.659 3.997 ( 0.000 6.361 0.000) 6.361 4.226 ( 0.000 4.412 0.000) 4.412 4.258 ( 0.000 2.287 0.000) 2.287 4.368 ( 0.000 21.019 0.000) 21.019 4.428 ( 0.000 4.532 0.000) 4.532 4.493 ( 0.000 2.080 0.000) 2.080 4.664 ( 0.000 4.759 0.000) 4.759 4.701 ( 0.000 7.165 0.000) 7.165 4.802 ( 0.000 12.822 0.000) 12.822 4.924 ( 0.000 6.255 0.000) 6.255 4.994 ( 0.000 14.493 0.000) 14.493 5.174 ( 0.000 3.039 0.000) 3.039 5.299 ( 0.000 -9.354 0.000) 9.354 5.321 ( 0.000 6.308 0.000) 6.308 5.444 ( 0.000 5.807 0.000) 5.807 5.875 ( 0.000 -9.421 0.000) 9.421 5.993 ( 0.000 1.494 0.000) 1.494 6.157 ( 0.000 10.482 0.000) 10.482 6.253 ( 0.000 -6.652 0.000) 6.652 6.408 ( 0.000 -1.285 0.000) 1.285 6.433 ( 0.000 14.691 0.000) 14.691 6.626 ( 0.000 -3.651 0.000) 3.651 6.798 ( 0.000 6.831 0.000) 6.831 6.839 ( 0.000 14.481 0.000) 14.481 6.936 ( 0.000 24.252 0.000) 24.252 6.971 ( 0.000 29.372 0.000) 29.372 7.509 ( 0.000 29.396 0.000) 29.396 7.533 ( 0.000 26.965 0.000) 26.965 7.604 ( 0.000 20.670 0.000) 20.670 7.665 ( 0.000 24.652 0.000) 24.652 8.048 ( 0.000 4.306 0.000) 4.306 8.225 ( 0.000 2.848 0.000) 2.848 8.266 ( 0.000 -0.101 0.000) 0.101 8.336 ( 0.000 -8.448 0.000) 8.448 8.811 ( 0.000 2.665 0.000) 2.665 8.852 ( 0.000 0.493 0.000) 0.493 9.002 ( 0.000 -3.353 0.000) 3.353 9.103 ( 0.000 -4.133 0.000) 4.133 9.636 ( 0.000 1.486 0.000) 1.486 9.653 ( 0.000 1.426 0.000) 1.426 9.852 ( 0.000 -5.050 0.000) 5.050 10.038 ( 0.000 -8.510 0.000) 8.510 10.058 ( 0.000 8.123 0.000) 8.123 10.079 ( 0.000 -8.212 0.000) 8.212 10.397 ( 0.000 5.341 0.000) 5.341 10.500 ( 0.000 14.113 0.000) 14.113 10.871 ( 0.000 -11.491 0.000) 11.491 10.889 ( 0.000 5.200 0.000) 5.200 11.031 ( 0.000 11.788 0.000) 11.788 11.239 ( 0.000 13.250 0.000) 13.250 11.356 ( 0.000 4.549 0.000) 4.549 11.513 ( 0.000 -4.503 0.000) 4.503 11.548 ( 0.000 6.469 0.000) 6.469 11.767 ( 0.000 7.112 0.000) 7.112 11.976 ( 0.000 -12.357 0.000) 12.357 12.036 ( 0.000 -7.020 0.000) 7.020 12.148 ( 0.000 6.332 0.000) 6.332 12.326 ( 0.000 -16.367 0.000) 16.367 12.403 ( 0.000 0.164 0.000) 0.164 12.440 ( 0.000 -13.958 0.000) 13.958 12.974 ( 0.000 7.845 0.000) 7.845 13.001 ( 0.000 -0.562 0.000) 0.562 13.060 ( 0.000 2.744 0.000) 2.744 13.106 ( 0.000 -19.473 0.000) 19.473 13.344 ( 0.000 -9.481 0.000) 9.481 13.559 ( 0.000 -0.327 0.000) 0.327 15.752 ( 0.000 -5.785 0.000) 5.785 16.026 ( 0.000 -3.557 0.000) 3.557 16.073 ( 0.000 2.406 0.000) 2.406 16.325 ( 0.000 -15.193 0.000) 15.193 16.394 ( 0.000 -14.175 0.000) 14.175 16.408 ( 0.000 -10.394 0.000) 10.394 16.541 ( 0.000 -13.104 0.000) 13.104 16.709 ( 0.000 -13.018 0.000) 13.018 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.583 13.487 0.000) 14.244 2.738 ( 0.779 9.203 0.000) 9.236 2.963 ( 1.830 6.537 0.000) 6.788 3.014 ( -3.270 5.683 0.000) 6.557 3.072 ( 0.068 2.944 0.000) 2.944 3.076 ( -0.453 -0.983 0.000) 1.082 3.284 ( 5.689 -1.801 0.000) 5.968 3.518 ( 0.369 -2.798 0.000) 2.822 3.680 ( -0.347 10.597 0.000) 10.603 3.812 ( -2.915 13.556 0.000) 13.866 4.022 ( 2.577 13.447 0.000) 13.691 4.185 ( -3.125 4.063 0.000) 5.126 4.252 ( -1.941 6.811 0.000) 7.082 4.320 ( -4.424 15.276 0.000) 15.904 4.427 ( -1.053 2.924 0.000) 3.108 4.473 ( -6.245 6.939 0.000) 9.336 4.705 ( 6.641 -4.149 0.000) 7.831 4.744 ( 5.814 7.951 0.000) 9.850 4.819 ( 1.198 17.148 0.000) 17.189 4.931 ( 1.103 8.529 0.000) 8.600 4.991 ( 0.266 9.921 0.000) 9.924 5.161 ( -2.097 8.167 0.000) 8.432 5.279 ( -1.652 -7.506 0.000) 7.686 5.298 ( -2.755 7.008 0.000) 7.530 5.417 ( -1.717 3.487 0.000) 3.887 5.736 ( -10.932 -6.177 0.000) 12.556 5.997 ( 1.096 2.909 0.000) 3.108 6.231 ( 2.306 11.974 0.000) 12.195 6.302 ( 4.002 -6.212 0.000) 7.389 6.386 ( -1.262 3.245 0.000) 3.482 6.466 ( 5.484 -4.534 0.000) 7.116 6.688 ( 3.451 -4.290 0.000) 5.506 6.753 ( -2.203 16.524 0.000) 16.671 6.859 ( 1.711 15.441 0.000) 15.536 6.946 ( -2.148 30.026 0.000) 30.103 6.964 ( 1.330 20.505 0.000) 20.548 7.532 ( 1.904 28.648 0.000) 28.711 7.535 ( 0.232 27.579 0.000) 27.580 7.600 ( -0.361 21.583 0.000) 21.586 7.645 ( -1.958 25.174 0.000) 25.250 8.091 ( 3.938 3.046 0.000) 4.979 8.233 ( 0.516 2.435 0.000) 2.489 8.351 ( 7.876 -0.799 0.000) 7.917 8.389 ( 4.631 -6.692 0.000) 8.138 8.798 ( -4.693 1.051 0.000) 4.809 8.838 ( 3.467 2.124 0.000) 4.066 9.026 ( 1.819 -2.711 0.000) 3.264 9.056 ( -5.745 -2.417 0.000) 6.232 9.648 ( 2.657 0.219 0.000) 2.666 9.706 ( 4.424 0.111 0.000) 4.425 9.864 ( 1.446 -4.109 0.000) 4.356 10.021 ( -3.002 5.274 0.000) 6.069 10.066 ( 1.457 -7.760 0.000) 7.895 10.071 ( -0.566 -7.768 0.000) 7.789 10.443 ( 4.157 7.518 0.000) 8.591 10.537 ( 1.042 8.598 0.000) 8.661 10.806 ( -8.316 0.884 0.000) 8.363 10.810 ( -0.649 -6.193 0.000) 6.226 11.041 ( -0.333 10.004 0.000) 10.010 11.190 ( -2.922 12.931 0.000) 13.257 11.242 ( -9.914 2.227 0.000) 10.161 11.537 ( -4.025 4.444 0.000) 5.996 11.571 ( 3.867 1.256 0.000) 4.066 11.694 ( -4.971 8.315 0.000) 9.688 11.922 ( -0.483 -5.478 0.000) 5.499 12.048 ( 2.606 -8.615 0.000) 9.000 12.267 ( 2.185 5.516 0.000) 5.933 12.372 ( 1.794 -16.518 0.000) 16.615 12.380 ( 7.711 -14.525 0.000) 16.445 12.579 ( 8.019 -2.096 0.000) 8.288 12.856 ( -9.639 4.869 0.000) 10.799 12.945 ( -3.054 7.292 0.000) 7.906 13.060 ( -4.184 -18.203 0.000) 18.678 13.062 ( -2.381 -3.268 0.000) 4.044 13.362 ( 1.654 -8.240 0.000) 8.404 13.535 ( -2.351 -1.003 0.000) 2.556 15.798 ( 4.185 -5.386 0.000) 6.820 15.986 ( -1.717 -2.130 0.000) 2.736 16.150 ( 4.806 -1.500 0.000) 5.034 16.316 ( -3.302 -12.943 0.000) 13.357 16.323 ( 0.110 -14.292 0.000) 14.293 16.474 ( -0.138 -9.248 0.000) 9.249 16.536 ( 1.775 -14.324 0.000) 14.434 16.692 ( -1.566 -12.812 0.000) 12.908 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 2.914 10.317 0.000) 10.720 2.762 ( 1.196 8.509 0.000) 8.593 2.950 ( -1.410 6.034 0.000) 6.197 2.976 ( -2.350 3.526 0.000) 4.238 3.071 ( 2.156 4.366 0.000) 4.869 3.102 ( 0.642 2.920 0.000) 2.990 3.375 ( 3.670 -1.512 0.000) 3.970 3.464 ( -5.049 -1.814 0.000) 5.365 3.738 ( 7.356 5.762 0.000) 9.344 3.869 ( 4.014 11.515 0.000) 12.194 4.021 ( -6.840 4.357 0.000) 8.110 4.081 ( 0.496 21.476 0.000) 21.482 4.217 ( -4.056 3.940 0.000) 5.654 4.242 ( -1.683 10.578 0.000) 10.711 4.361 ( -3.334 6.477 0.000) 7.285 4.364 ( -3.198 4.865 0.000) 5.822 4.763 ( 3.932 7.689 0.000) 8.637 4.856 ( -2.803 9.323 0.000) 9.735 4.921 ( 4.458 19.062 0.000) 19.576 4.997 ( 11.866 -1.996 0.000) 12.033 5.069 ( 5.718 5.692 0.000) 8.068 5.072 ( -5.315 10.846 0.000) 12.078 5.207 ( -5.563 8.492 0.000) 10.152 5.225 ( -4.962 -5.635 0.000) 7.508 5.411 ( 1.406 0.604 0.000) 1.530 5.512 ( -9.536 -1.956 0.000) 9.735 6.057 ( 4.852 5.440 0.000) 7.289 6.172 ( -5.816 9.653 0.000) 11.270 6.378 ( 2.995 -3.943 0.000) 4.951 6.407 ( 0.458 -3.046 0.000) 3.080 6.597 ( 6.451 -11.026 0.000) 12.774 6.686 ( -2.215 -10.832 0.000) 11.056 6.783 ( 3.310 26.684 0.000) 26.889 6.855 ( -3.151 27.028 0.000) 27.211 6.933 ( 1.685 21.414 0.000) 21.480 6.966 ( -1.040 19.971 0.000) 19.998 7.547 ( 1.133 28.027 0.000) 28.050 7.566 ( 0.796 27.682 0.000) 27.694 7.594 ( -0.310 23.901 0.000) 23.903 7.598 ( -1.966 25.630 0.000) 25.705 8.178 ( 3.902 1.654 0.000) 4.238 8.229 ( -1.205 1.934 0.000) 2.279 8.492 ( 5.219 -3.557 0.000) 6.316 8.527 ( 6.116 -3.899 0.000) 7.253 8.714 ( -0.365 3.473 0.000) 3.492 8.873 ( -11.272 0.739 0.000) 11.296 8.951 ( 6.557 -0.120 0.000) 6.558 9.040 ( -1.497 -1.551 0.000) 2.155 9.738 ( 4.605 -1.814 0.000) 4.949 9.776 ( 1.328 -2.038 0.000) 2.432 9.920 ( 3.835 -1.830 0.000) 4.249 9.969 ( -1.737 0.574 0.000) 1.830 10.057 ( -1.774 -5.801 0.000) 6.066 10.059 ( -1.038 -5.593 0.000) 5.689 10.502 ( -1.340 -2.351 0.000) 2.706 10.526 ( 0.123 4.146 0.000) 4.148 10.662 ( 1.488 0.068 0.000) 1.489 10.874 ( -12.867 6.727 0.000) 14.519 10.972 ( 11.757 -1.370 0.000) 11.836 11.146 ( -2.582 11.072 0.000) 11.369 11.152 ( 1.811 10.546 0.000) 10.700 11.317 ( -14.512 2.936 0.000) 14.806 11.622 ( 1.417 4.733 0.000) 4.941 11.646 ( -1.260 6.897 0.000) 7.011 12.019 ( 9.506 -3.811 0.000) 10.242 12.131 ( 3.395 -8.214 0.000) 8.888 12.250 ( -1.923 -3.199 0.000) 3.732 12.293 ( -8.919 -8.785 0.000) 12.518 12.601 ( 10.271 -7.253 0.000) 12.574 12.727 ( -3.239 -1.274 0.000) 3.481 12.734 ( 7.193 1.656 0.000) 7.381 12.859 ( -5.362 4.831 0.000) 7.217 12.969 ( -3.667 -13.660 0.000) 14.144 12.978 ( -4.489 -7.275 0.000) 8.548 13.408 ( 2.889 -5.554 0.000) 6.260 13.474 ( -3.485 -2.872 0.000) 4.516 15.891 ( 4.362 -4.451 0.000) 6.232 15.955 ( -1.987 -3.163 0.000) 3.735 16.228 ( 2.650 -9.051 0.000) 9.431 16.268 ( -1.789 -12.956 0.000) 13.079 16.346 ( 2.450 -9.266 0.000) 9.584 16.414 ( -3.946 -7.746 0.000) 8.693 16.599 ( 3.068 -13.103 0.000) 13.458 16.652 ( -2.320 -12.648 0.000) 12.859 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 0.000 10.053 0.000) 10.053 2.863 ( 0.000 4.683 0.000) 4.683 3.038 ( 0.000 -1.651 0.000) 1.651 3.102 ( 0.000 7.673 0.000) 7.673 3.111 ( 0.000 0.106 0.000) 0.106 3.154 ( 0.000 0.905 0.000) 0.905 3.174 ( 0.000 1.679 0.000) 1.679 3.439 ( 0.000 -4.211 0.000) 4.211 3.941 ( 0.000 9.790 0.000) 9.790 4.093 ( 0.000 7.770 0.000) 7.770 4.132 ( 0.000 6.390 0.000) 6.390 4.282 ( 0.000 0.098 0.000) 0.098 4.359 ( 0.000 9.565 0.000) 9.565 4.482 ( 0.000 -1.058 0.000) 1.058 4.522 ( 0.000 5.844 0.000) 5.844 4.685 ( 0.000 -2.400 0.000) 2.400 4.733 ( 0.000 14.082 0.000) 14.082 4.777 ( 0.000 0.361 0.000) 0.361 4.793 ( 0.000 -6.564 0.000) 6.564 5.060 ( 0.000 -1.882 0.000) 1.882 5.219 ( 0.000 4.135 0.000) 4.135 5.261 ( 0.000 9.251 0.000) 9.251 5.296 ( 0.000 16.222 0.000) 16.222 5.476 ( 0.000 8.397 0.000) 8.397 5.600 ( 0.000 7.810 0.000) 7.810 5.698 ( 0.000 -7.640 0.000) 7.640 5.991 ( 0.000 -16.148 0.000) 16.148 6.020 ( 0.000 1.372 0.000) 1.372 6.120 ( 0.000 -6.107 0.000) 6.107 6.327 ( 0.000 -6.381 0.000) 6.381 6.490 ( 0.000 -5.971 0.000) 5.971 6.513 ( 0.000 -6.640 0.000) 6.640 7.178 ( 0.000 20.619 0.000) 20.619 7.205 ( 0.000 18.829 0.000) 18.829 7.304 ( 0.000 12.499 0.000) 12.499 7.433 ( 0.000 16.829 0.000) 16.829 7.951 ( 0.000 15.322 0.000) 15.322 7.986 ( 0.000 16.291 0.000) 16.291 8.003 ( 0.000 19.531 0.000) 19.531 8.059 ( 0.000 15.062 0.000) 15.062 8.191 ( 0.000 9.313 0.000) 9.313 8.250 ( 0.000 0.115 0.000) 0.115 8.319 ( 0.000 5.130 0.000) 5.130 8.333 ( 0.000 6.891 0.000) 6.891 8.857 ( 0.000 -0.155 0.000) 0.155 8.875 ( 0.000 3.430 0.000) 3.430 8.932 ( 0.000 -3.516 0.000) 3.516 9.021 ( 0.000 -3.801 0.000) 3.801 9.686 ( 0.000 2.192 0.000) 2.192 9.725 ( 0.000 3.448 0.000) 3.448 9.760 ( 0.000 0.511 0.000) 0.511 9.869 ( 0.000 -8.178 0.000) 8.178 9.938 ( 0.000 -5.913 0.000) 5.913 10.257 ( 0.000 12.195 0.000) 12.195 10.502 ( 0.000 5.939 0.000) 5.939 10.559 ( 0.000 -13.709 0.000) 13.709 10.819 ( 0.000 12.139 0.000) 12.139 10.904 ( 0.000 -2.851 0.000) 2.851 11.239 ( 0.000 8.988 0.000) 8.988 11.392 ( 0.000 -1.096 0.000) 1.096 11.447 ( 0.000 -2.121 0.000) 2.121 11.478 ( 0.000 10.585 0.000) 10.585 11.486 ( 0.000 -21.378 0.000) 21.378 11.694 ( 0.000 -2.314 0.000) 2.314 11.898 ( 0.000 -6.644 0.000) 6.644 11.932 ( 0.000 8.279 0.000) 8.279 11.992 ( 0.000 -15.347 0.000) 15.347 12.225 ( 0.000 1.105 0.000) 1.105 12.335 ( 0.000 -0.321 0.000) 0.321 12.488 ( 0.000 8.240 0.000) 8.240 12.737 ( 0.000 -17.302 0.000) 17.302 13.029 ( 0.000 2.994 0.000) 2.994 13.120 ( 0.000 6.477 0.000) 6.477 13.133 ( 0.000 3.477 0.000) 3.477 13.136 ( 0.000 -11.439 0.000) 11.439 13.513 ( 0.000 -4.431 0.000) 4.431 15.695 ( 0.000 0.320 0.000) 0.320 15.952 ( 0.000 -3.604 0.000) 3.604 16.067 ( 0.000 -8.995 0.000) 8.995 16.135 ( 0.000 -11.892 0.000) 11.892 16.143 ( 0.000 2.944 0.000) 2.944 16.241 ( 0.000 -6.476 0.000) 6.476 16.318 ( 0.000 -9.485 0.000) 9.485 16.498 ( 0.000 -8.815 0.000) 8.815 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.406 4.546 0.000) 4.564 2.882 ( 2.195 8.577 0.000) 8.853 3.038 ( -0.587 -1.335 0.000) 1.459 3.063 ( -3.002 0.691 0.000) 3.080 3.114 ( 1.486 6.672 0.000) 6.835 3.140 ( 0.427 2.842 0.000) 2.874 3.256 ( 4.729 -1.028 0.000) 4.839 3.444 ( -0.022 -4.400 0.000) 4.400 3.876 ( -3.610 9.485 0.000) 10.149 4.053 ( -0.293 10.247 0.000) 10.251 4.205 ( 4.966 4.729 0.000) 6.857 4.235 ( -7.823 2.468 0.000) 8.202 4.435 ( 8.019 9.005 0.000) 12.058 4.494 ( -3.534 3.319 0.000) 4.848 4.522 ( -4.823 -0.774 0.000) 4.884 4.569 ( 1.352 -5.964 0.000) 6.116 4.603 ( -6.460 12.417 0.000) 13.997 4.876 ( 6.360 3.883 0.000) 7.451 4.898 ( 2.928 -4.911 0.000) 5.717 5.082 ( 4.120 5.142 0.000) 6.589 5.238 ( -1.674 11.332 0.000) 11.455 5.263 ( 3.523 3.616 0.000) 5.049 5.296 ( -0.708 11.569 0.000) 11.590 5.459 ( -2.071 9.014 0.000) 9.249 5.551 ( -4.566 7.997 0.000) 9.209 5.618 ( -6.781 -4.873 0.000) 8.350 5.981 ( 0.703 -9.205 0.000) 9.231 6.094 ( 5.686 -5.842 0.000) 8.152 6.157 ( 2.084 -9.155 0.000) 9.390 6.347 ( 1.862 -7.462 0.000) 7.690 6.420 ( -4.860 -2.108 0.000) 5.298 6.503 ( -2.146 -9.909 0.000) 10.139 7.202 ( 2.305 19.639 0.000) 19.774 7.223 ( 1.595 17.990 0.000) 18.061 7.324 ( 1.493 13.563 0.000) 13.645 7.419 ( -1.297 17.110 0.000) 17.159 7.966 ( 1.394 15.882 0.000) 15.943 7.995 ( 0.696 16.990 0.000) 17.004 8.013 ( 0.808 18.953 0.000) 18.970 8.053 ( -0.950 15.958 0.000) 15.987 8.209 ( 1.971 8.120 0.000) 8.355 8.317 ( 6.065 -0.367 0.000) 6.076 8.322 ( 0.287 5.889 0.000) 5.896 8.394 ( 5.464 4.426 0.000) 7.032 8.831 ( -2.158 1.767 0.000) 2.789 8.894 ( 2.263 3.367 0.000) 4.057 8.966 ( 2.927 -2.935 0.000) 4.145 9.019 ( -1.349 -1.441 0.000) 1.974 9.712 ( 2.039 0.809 0.000) 2.194 9.714 ( -0.665 6.580 0.000) 6.614 9.772 ( 2.314 -4.423 0.000) 4.991 9.903 ( 2.321 -8.363 0.000) 8.679 9.938 ( 0.135 -5.857 0.000) 5.859 10.137 ( -8.847 7.099 0.000) 11.343 10.458 ( -7.863 -13.127 0.000) 15.301 10.600 ( 7.036 9.235 0.000) 11.610 10.747 ( -13.397 -6.562 0.000) 14.918 10.884 ( 5.820 10.921 0.000) 12.375 11.215 ( -4.857 7.336 0.000) 8.798 11.317 ( -1.810 5.189 0.000) 5.496 11.383 ( -2.565 3.192 0.000) 4.095 11.573 ( 7.860 -2.022 0.000) 8.116 11.623 ( -2.206 4.342 0.000) 4.870 11.657 ( 2.619 -14.117 0.000) 14.358 11.850 ( -5.465 5.959 0.000) 8.085 11.851 ( -1.227 -10.167 0.000) 10.240 12.047 ( 2.406 -14.717 0.000) 14.912 12.184 ( -2.470 -4.031 0.000) 4.727 12.401 ( 6.879 4.943 0.000) 8.471 12.619 ( 9.018 4.317 0.000) 9.998 12.734 ( 0.618 -13.484 0.000) 13.498 12.948 ( -7.752 4.372 0.000) 8.900 13.054 ( -6.700 1.567 0.000) 6.881 13.089 ( -3.404 6.234 0.000) 7.103 13.176 ( 3.715 -10.373 0.000) 11.018 13.478 ( -3.414 -4.800 0.000) 5.890 15.740 ( 4.032 -0.256 0.000) 4.040 15.934 ( -1.311 -2.893 0.000) 3.177 16.052 ( -1.327 -8.652 0.000) 8.753 16.092 ( -2.620 -9.924 0.000) 10.264 16.185 ( 3.320 0.726 0.000) 3.398 16.304 ( 0.036 -7.797 0.000) 7.797 16.308 ( 3.410 -8.630 0.000) 9.280 16.486 ( -1.217 -8.550 0.000) 8.636 ======================= Grid point 32 (21/72) ======================= 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 1.389 4.362 0.000) 4.578 2.905 ( -0.272 5.449 0.000) 5.456 3.019 ( -0.784 0.400 0.000) 0.880 3.021 ( -1.081 1.642 0.000) 1.966 3.151 ( 1.664 4.552 0.000) 4.846 3.160 ( 0.931 3.066 0.000) 3.204 3.341 ( 3.804 -2.001 0.000) 4.298 3.413 ( -3.074 -3.321 0.000) 4.525 3.873 ( 4.208 7.735 0.000) 8.806 4.030 ( -9.830 5.260 0.000) 11.149 4.147 ( 7.588 8.695 0.000) 11.540 4.273 ( 0.022 1.481 0.000) 1.481 4.389 ( -5.671 2.353 0.000) 6.140 4.394 ( -4.465 -2.452 0.000) 5.094 4.507 ( -1.766 16.716 0.000) 16.809 4.512 ( -0.210 15.089 0.000) 15.091 4.720 ( 9.720 -7.650 0.000) 12.369 4.879 ( -4.913 -5.824 0.000) 7.619 5.040 ( 9.764 5.762 0.000) 11.337 5.204 ( 2.721 11.261 0.000) 11.585 5.224 ( -1.510 6.764 0.000) 6.930 5.260 ( 2.881 8.718 0.000) 9.182 5.303 ( -1.357 6.690 0.000) 6.826 5.380 ( -5.850 9.744 0.000) 11.366 5.459 ( -2.415 5.310 0.000) 5.833 5.489 ( -4.643 0.611 0.000) 4.683 6.036 ( 4.705 -9.186 0.000) 10.321 6.139 ( -4.212 -10.874 0.000) 11.661 6.221 ( 6.413 -5.669 0.000) 8.559 6.329 ( -4.319 -2.125 0.000) 4.814 6.392 ( 2.445 -9.411 0.000) 9.723 6.444 ( -2.997 -10.867 0.000) 11.273 7.252 ( 1.933 17.259 0.000) 17.367 7.257 ( 1.300 16.459 0.000) 16.510 7.350 ( 1.204 16.136 0.000) 16.181 7.384 ( -2.048 17.639 0.000) 17.757 7.994 ( 1.117 16.936 0.000) 16.973 8.012 ( 1.080 17.061 0.000) 17.096 8.019 ( -1.128 16.762 0.000) 16.800 8.027 ( -0.583 17.688 0.000) 17.698 8.266 ( 3.126 6.835 0.000) 7.516 8.314 ( -1.397 6.256 0.000) 6.410 8.451 ( 6.033 -0.647 0.000) 6.067 8.500 ( 2.552 0.481 0.000) 2.597 8.814 ( 2.311 5.916 0.000) 6.351 8.931 ( -7.034 4.358 0.000) 8.274 8.966 ( 4.198 2.084 0.000) 4.687 9.012 ( 0.439 -0.566 0.000) 0.716 9.735 ( 1.900 1.707 0.000) 2.554 9.742 ( 0.833 -1.333 0.000) 1.572 9.849 ( 4.938 -4.852 0.000) 6.923 9.929 ( 0.686 -6.323 0.000) 6.360 9.939 ( -1.607 -5.975 0.000) 6.188 9.976 ( -5.695 0.763 0.000) 5.746 10.350 ( -0.841 -11.563 0.000) 11.593 10.461 ( -11.646 -8.618 0.000) 14.488 10.765 ( 8.717 9.014 0.000) 12.540 10.940 ( -5.965 5.042 0.000) 7.810 11.149 ( 6.141 13.341 0.000) 14.687 11.334 ( 1.941 7.020 0.000) 7.283 11.338 ( -4.650 8.977 0.000) 10.110 11.410 ( -10.468 3.967 0.000) 11.194 11.685 ( 3.227 1.286 0.000) 3.474 11.736 ( -1.518 0.159 0.000) 1.527 11.832 ( 5.355 -9.466 0.000) 10.876 11.885 ( 2.265 -14.173 0.000) 14.352 12.061 ( 0.277 -13.102 0.000) 13.105 12.121 ( -4.207 -8.828 0.000) 9.779 12.574 ( 9.428 2.657 0.000) 9.795 12.744 ( 5.162 -4.990 0.000) 7.179 12.762 ( -9.601 3.922 0.000) 10.371 12.837 ( 8.330 3.667 0.000) 9.101 12.892 ( -8.748 -1.278 0.000) 8.841 12.989 ( -6.457 5.836 0.000) 8.703 13.272 ( 5.507 -8.063 0.000) 9.764 13.385 ( -5.499 -5.986 0.000) 8.128 15.830 ( 4.386 -1.537 0.000) 4.648 15.900 ( -2.421 -2.343 0.000) 3.369 16.032 ( -0.103 -8.786 0.000) 8.786 16.050 ( -1.590 -9.052 0.000) 9.190 16.246 ( 2.330 -2.268 0.000) 3.251 16.279 ( -1.283 -5.418 0.000) 5.567 16.392 ( 3.583 -8.322 0.000) 9.061 16.450 ( -2.334 -8.225 0.000) 8.550 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 0.000 3.416 0.000) 3.416 2.998 ( 0.000 -2.458 0.000) 2.458 3.006 ( 0.000 5.533 0.000) 5.533 3.080 ( 0.000 -2.480 0.000) 2.480 3.177 ( 0.000 1.426 0.000) 1.426 3.197 ( 0.000 -0.062 0.000) 0.062 3.237 ( 0.000 6.130 0.000) 6.130 3.347 ( 0.000 -5.089 0.000) 5.089 4.098 ( 0.000 6.754 0.000) 6.754 4.192 ( 0.000 -1.417 0.000) 1.417 4.196 ( 0.000 3.724 0.000) 3.724 4.257 ( 0.000 -2.466 0.000) 2.466 4.498 ( 0.000 3.024 0.000) 3.024 4.556 ( 0.000 6.246 0.000) 6.246 4.604 ( 0.000 -1.845 0.000) 1.845 4.628 ( 0.000 3.845 0.000) 3.845 4.679 ( 0.000 -3.298 0.000) 3.298 4.726 ( 0.000 -5.399 0.000) 5.399 4.907 ( 0.000 4.916 0.000) 4.916 4.990 ( 0.000 -4.044 0.000) 4.044 5.379 ( 0.000 11.701 0.000) 11.701 5.443 ( 0.000 7.304 0.000) 7.304 5.539 ( 0.000 -0.818 0.000) 0.818 5.600 ( 0.000 -0.416 0.000) 0.416 5.677 ( 0.000 13.433 0.000) 13.433 5.689 ( 0.000 0.674 0.000) 0.674 5.689 ( 0.000 -9.822 0.000) 9.822 5.958 ( 0.000 -11.479 0.000) 11.479 6.071 ( 0.000 4.429 0.000) 4.429 6.189 ( 0.000 -7.024 0.000) 7.024 6.374 ( 0.000 -3.244 0.000) 3.244 6.394 ( 0.000 -4.529 0.000) 4.529 7.429 ( 0.000 5.657 0.000) 5.657 7.449 ( 0.000 3.007 0.000) 3.007 7.511 ( 0.000 11.309 0.000) 11.309 7.614 ( 0.000 1.579 0.000) 1.579 8.161 ( 0.000 6.424 0.000) 6.424 8.193 ( 0.000 3.928 0.000) 3.928 8.252 ( 0.000 5.876 0.000) 5.876 8.255 ( 0.000 5.045 0.000) 5.045 8.315 ( 0.000 4.585 0.000) 4.585 8.335 ( 0.000 3.606 0.000) 3.606 8.428 ( 0.000 4.376 0.000) 4.376 8.443 ( 0.000 3.078 0.000) 3.078 8.851 ( 0.000 -0.049 0.000) 0.049 8.872 ( 0.000 -2.317 0.000) 2.317 8.929 ( 0.000 1.937 0.000) 1.937 8.963 ( 0.000 -2.061 0.000) 2.061 9.692 ( 0.000 -0.358 0.000) 0.358 9.736 ( 0.000 -4.833 0.000) 4.833 9.745 ( 0.000 3.925 0.000) 3.925 9.834 ( 0.000 -4.917 0.000) 4.917 9.962 ( 0.000 13.489 0.000) 13.489 10.254 ( 0.000 -15.785 0.000) 15.785 10.556 ( 0.000 18.387 0.000) 18.387 10.640 ( 0.000 7.881 0.000) 7.881 10.802 ( 0.000 -6.924 0.000) 6.924 10.992 ( 0.000 -24.638 0.000) 24.638 11.071 ( 0.000 12.353 0.000) 12.353 11.281 ( 0.000 -7.900 0.000) 7.900 11.390 ( 0.000 3.732 0.000) 3.732 11.426 ( 0.000 -0.516 0.000) 0.516 11.642 ( 0.000 5.815 0.000) 5.815 11.701 ( 0.000 -0.392 0.000) 0.392 11.784 ( 0.000 -4.917 0.000) 4.917 11.788 ( 0.000 -4.012 0.000) 4.012 12.086 ( 0.000 7.458 0.000) 7.458 12.204 ( 0.000 -3.537 0.000) 3.537 12.355 ( 0.000 2.246 0.000) 2.246 12.460 ( 0.000 -9.841 0.000) 9.841 12.683 ( 0.000 10.905 0.000) 10.905 12.906 ( 0.000 -11.705 0.000) 11.705 13.100 ( 0.000 3.719 0.000) 3.719 13.154 ( 0.000 -1.258 0.000) 1.258 13.253 ( 0.000 7.176 0.000) 7.176 13.396 ( 0.000 -7.022 0.000) 7.022 15.763 ( 0.000 6.266 0.000) 6.266 15.903 ( 0.000 -0.839 0.000) 0.839 15.924 ( 0.000 -9.690 0.000) 9.690 15.933 ( 0.000 -4.083 0.000) 4.083 16.159 ( 0.000 -1.652 0.000) 1.652 16.182 ( 0.000 -4.092 0.000) 4.092 16.230 ( 0.000 5.283 0.000) 5.283 16.348 ( 0.000 -6.705 0.000) 6.705 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 0.122 3.347 0.000) 3.350 2.997 ( -0.089 -2.552 0.000) 2.554 3.005 ( -0.458 4.118 0.000) 4.143 3.057 ( -1.803 -1.374 0.000) 2.267 3.189 ( 1.403 2.520 0.000) 2.884 3.233 ( 2.897 -1.654 0.000) 3.336 3.241 ( 0.369 5.966 0.000) 5.978 3.350 ( 0.042 -5.149 0.000) 5.149 4.053 ( -2.894 8.594 0.000) 9.068 4.199 ( -0.004 -5.107 0.000) 5.107 4.215 ( 2.787 6.557 0.000) 7.125 4.289 ( -3.071 1.300 0.000) 3.334 4.405 ( 0.069 -3.230 0.000) 3.230 4.454 ( -7.574 -4.858 0.000) 8.998 4.567 ( -3.893 5.133 0.000) 6.442 4.681 ( -1.327 -4.996 0.000) 5.170 4.696 ( 7.242 10.662 0.000) 12.889 4.861 ( 8.926 -5.326 0.000) 10.394 4.926 ( 2.215 9.070 0.000) 9.336 5.083 ( 6.713 -4.956 0.000) 8.344 5.405 ( 2.499 11.255 0.000) 11.529 5.419 ( -1.684 6.499 0.000) 6.714 5.488 ( -4.463 0.366 0.000) 4.478 5.602 ( -0.762 2.911 0.000) 3.010 5.648 ( -3.210 0.080 0.000) 3.211 5.650 ( -2.526 13.255 0.000) 13.494 5.708 ( 1.171 -11.409 0.000) 11.469 5.940 ( -2.094 -13.406 0.000) 13.569 6.096 ( 2.820 3.214 0.000) 4.276 6.200 ( 1.297 -6.888 0.000) 7.009 6.351 ( -2.048 -2.748 0.000) 3.427 6.366 ( -2.734 -3.671 0.000) 4.578 7.444 ( 1.581 6.253 0.000) 6.450 7.482 ( 2.512 2.547 0.000) 3.578 7.510 ( -0.123 10.447 0.000) 10.448 7.603 ( -1.035 1.731 0.000) 2.017 8.185 ( 1.954 6.596 0.000) 6.880 8.212 ( 1.278 4.504 0.000) 4.682 8.254 ( 0.044 5.969 0.000) 5.969 8.263 ( -0.223 5.144 0.000) 5.149 8.343 ( 1.605 4.063 0.000) 4.368 8.353 ( 3.627 2.436 0.000) 4.370 8.436 ( 0.848 4.685 0.000) 4.761 8.468 ( 2.481 1.709 0.000) 3.012 8.863 ( 1.593 2.064 0.000) 2.608 8.914 ( 3.926 -2.665 0.000) 4.746 8.957 ( 2.799 2.747 0.000) 3.922 8.995 ( 2.427 -1.260 0.000) 2.735 9.713 ( 1.928 -0.640 0.000) 2.032 9.749 ( 0.059 3.165 0.000) 3.165 9.760 ( 1.584 -5.296 0.000) 5.528 9.832 ( -0.236 -4.963 0.000) 4.969 9.906 ( -3.862 12.108 0.000) 12.710 10.174 ( -6.234 -14.649 0.000) 15.920 10.320 ( -14.189 11.466 0.000) 18.243 10.560 ( -16.086 -11.856 0.000) 19.983 10.825 ( 9.167 13.818 0.000) 16.582 11.112 ( 2.677 11.693 0.000) 11.996 11.144 ( 8.253 -18.257 0.000) 20.036 11.298 ( 0.714 -3.456 0.000) 3.529 11.399 ( 1.043 4.452 0.000) 4.572 11.493 ( 6.862 -4.245 0.000) 8.068 11.640 ( -0.736 4.892 0.000) 4.947 11.689 ( -1.065 0.799 0.000) 1.332 11.729 ( -2.502 -0.750 0.000) 2.612 11.817 ( 0.420 -8.629 0.000) 8.639 11.961 ( -9.158 6.021 0.000) 10.960 12.091 ( -8.129 -6.361 0.000) 10.322 12.465 ( 7.572 2.290 0.000) 7.910 12.530 ( 5.769 -5.505 0.000) 7.974 12.772 ( 7.867 8.984 0.000) 11.941 12.967 ( 5.591 -10.584 0.000) 11.969 13.023 ( -7.284 3.313 0.000) 8.002 13.069 ( -7.954 -0.908 0.000) 8.006 13.214 ( -3.692 7.025 0.000) 7.936 13.357 ( -3.835 -7.133 0.000) 8.099 15.788 ( 2.199 4.904 0.000) 5.374 15.893 ( -0.824 -0.671 0.000) 1.062 15.918 ( -0.474 -7.888 0.000) 7.902 15.923 ( -0.898 -3.973 0.000) 4.073 16.192 ( 1.181 -2.803 0.000) 3.042 16.196 ( 3.029 -3.123 0.000) 4.350 16.240 ( 0.686 4.217 0.000) 4.272 16.343 ( -0.616 -6.212 0.000) 6.243 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 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 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 1.171 2.893 0.000) 3.121 2.982 ( -1.613 2.796 0.000) 3.228 3.000 ( 0.562 -1.925 0.000) 2.005 3.022 ( -1.531 -1.228 0.000) 1.962 3.227 ( 1.844 3.601 0.000) 4.046 3.247 ( -0.115 4.853 0.000) 4.854 3.293 ( 2.806 -2.947 0.000) 4.069 3.337 ( -1.465 -4.312 0.000) 4.554 4.035 ( 1.946 8.687 0.000) 8.902 4.137 ( -7.621 6.205 0.000) 9.827 4.203 ( 1.183 -7.566 0.000) 7.658 4.261 ( -3.267 -3.989 0.000) 5.157 4.360 ( 4.329 6.428 0.000) 7.750 4.480 ( -5.398 7.318 0.000) 9.094 4.527 ( 6.404 -8.604 0.000) 10.725 4.628 ( -3.753 -6.090 0.000) 7.153 4.835 ( 6.507 13.651 0.000) 15.122 4.936 ( -2.550 12.942 0.000) 13.191 5.044 ( 8.810 -6.403 0.000) 10.891 5.166 ( -1.146 -8.673 0.000) 8.748 5.422 ( 0.605 6.297 0.000) 6.326 5.428 ( 3.362 4.954 0.000) 5.987 5.457 ( 1.183 10.901 0.000) 10.965 5.537 ( -5.579 4.396 0.000) 7.103 5.562 ( -3.420 4.175 0.000) 5.397 5.586 ( -3.487 10.828 0.000) 11.376 5.766 ( 4.521 -15.171 0.000) 15.830 5.867 ( -4.911 -15.368 0.000) 16.134 6.183 ( 5.381 0.644 0.000) 5.420 6.244 ( 2.853 -5.454 0.000) 6.155 6.289 ( -4.796 -1.660 0.000) 5.075 6.302 ( -2.763 -3.360 0.000) 4.350 7.481 ( 1.753 7.012 0.000) 7.228 7.504 ( -0.560 8.555 0.000) 8.573 7.533 ( 2.395 2.476 0.000) 3.445 7.575 ( -1.783 2.190 0.000) 2.823 8.218 ( 1.138 5.986 0.000) 6.093 8.228 ( 0.684 5.037 0.000) 5.084 8.240 ( -1.256 5.740 0.000) 5.876 8.247 ( -0.985 4.999 0.000) 5.095 8.399 ( 3.299 5.217 0.000) 6.173 8.443 ( -0.740 5.628 0.000) 5.676 8.449 ( 4.852 -0.407 0.000) 4.869 8.506 ( -0.131 -0.837 0.000) 0.847 8.928 ( 4.772 5.459 0.000) 7.251 9.004 ( 3.788 -1.628 0.000) 4.123 9.010 ( -1.529 2.999 0.000) 3.366 9.021 ( 1.807 2.103 0.000) 2.773 9.738 ( -0.823 1.691 0.000) 1.881 9.747 ( -1.497 -1.520 0.000) 2.134 9.762 ( 2.373 -3.260 0.000) 4.032 9.816 ( -1.817 -5.776 0.000) 6.055 9.907 ( 4.320 6.367 0.000) 7.694 10.058 ( -10.832 7.635 0.000) 13.252 10.105 ( 1.448 -12.287 0.000) 12.372 10.254 ( -12.777 -11.328 0.000) 17.076 10.987 ( 7.135 13.418 0.000) 15.197 11.104 ( -3.903 10.979 0.000) 11.652 11.270 ( 4.260 -13.772 0.000) 14.416 11.312 ( 0.042 -6.202 0.000) 6.202 11.447 ( 4.379 11.728 0.000) 12.519 11.566 ( -6.265 10.513 0.000) 12.238 11.653 ( 6.536 -6.053 0.000) 8.909 11.687 ( 0.551 -0.922 0.000) 1.074 11.714 ( 2.179 -0.342 0.000) 2.206 11.807 ( -5.604 1.443 0.000) 5.787 11.817 ( 0.822 -10.132 0.000) 10.165 11.920 ( -8.407 -10.159 0.000) 13.186 12.632 ( 9.250 2.675 0.000) 9.629 12.677 ( 8.917 -2.203 0.000) 9.185 12.835 ( -10.576 3.059 0.000) 11.010 12.876 ( -10.424 -1.123 0.000) 10.484 12.949 ( 8.926 7.017 0.000) 11.355 13.105 ( 7.534 -8.559 0.000) 11.402 13.109 ( -6.749 6.643 0.000) 9.470 13.250 ( -6.605 -7.412 0.000) 9.928 15.835 ( 2.204 2.030 0.000) 2.996 15.872 ( -1.442 -0.163 0.000) 1.451 15.907 ( -0.394 -3.940 0.000) 3.960 15.909 ( -0.386 -5.435 0.000) 5.449 16.221 ( 1.647 -0.292 0.000) 1.672 16.245 ( -0.459 2.025 0.000) 2.076 16.265 ( 3.309 -4.535 0.000) 5.614 16.318 ( -1.939 -5.297 0.000) 5.641 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 0.000 33.010) 33.010 0.747 ( 0.000 0.000 34.153) 34.153 1.327 ( 0.000 0.000 59.995) 59.995 1.923 ( 0.000 0.000 -18.270) 18.270 1.970 ( 0.000 0.000 -21.977) 21.977 2.417 ( 0.000 0.000 2.508) 2.508 2.450 ( 0.000 0.000 19.204) 19.204 2.562 ( 0.000 0.000 -3.215) 3.215 2.731 ( 0.000 0.000 2.309) 2.309 2.751 ( 0.000 0.000 3.453) 3.453 2.844 ( 0.000 0.000 15.414) 15.414 2.960 ( 0.000 0.000 -0.527) 0.527 3.022 ( 0.000 0.000 -5.228) 5.228 3.260 ( 0.000 0.000 -9.681) 9.681 3.260 ( 0.000 0.000 -6.259) 6.259 3.264 ( 0.000 0.000 8.759) 8.759 3.281 ( 0.000 0.000 -3.905) 3.905 3.518 ( 0.000 0.000 -1.518) 1.518 3.590 ( 0.000 0.000 -19.854) 19.854 3.889 ( 0.000 0.000 -38.024) 38.024 3.945 ( 0.000 0.000 0.853) 0.853 3.968 ( 0.000 0.000 4.149) 4.149 4.140 ( 0.000 0.000 -2.518) 2.518 4.207 ( 0.000 0.000 7.889) 7.889 4.453 ( 0.000 0.000 -1.510) 1.510 4.931 ( 0.000 0.000 5.676) 5.676 4.939 ( 0.000 0.000 0.346) 0.346 5.292 ( 0.000 0.000 -19.513) 19.513 5.402 ( 0.000 0.000 9.188) 9.188 5.791 ( 0.000 0.000 -5.705) 5.705 6.096 ( 0.000 0.000 13.960) 13.960 6.136 ( 0.000 0.000 15.187) 15.187 6.393 ( 0.000 0.000 7.303) 7.303 6.404 ( 0.000 0.000 0.886) 0.886 6.500 ( 0.000 0.000 4.062) 4.062 6.617 ( 0.000 0.000 -0.919) 0.919 6.692 ( 0.000 0.000 -1.904) 1.904 7.045 ( 0.000 0.000 -14.640) 14.640 7.534 ( 0.000 0.000 7.357) 7.357 7.956 ( 0.000 0.000 -6.083) 6.083 7.969 ( 0.000 0.000 3.640) 3.640 8.100 ( 0.000 0.000 1.793) 1.793 8.280 ( 0.000 0.000 -5.341) 5.341 8.355 ( 0.000 0.000 -4.399) 4.399 8.567 ( 0.000 0.000 10.140) 10.140 8.778 ( 0.000 0.000 4.345) 4.345 8.860 ( 0.000 0.000 -2.383) 2.383 8.899 ( 0.000 0.000 -1.025) 1.025 8.926 ( 0.000 0.000 5.799) 5.799 9.358 ( 0.000 0.000 1.888) 1.888 9.382 ( 0.000 0.000 -7.803) 7.803 9.423 ( 0.000 0.000 -0.714) 0.714 9.588 ( 0.000 0.000 1.912) 1.912 9.806 ( 0.000 0.000 -9.431) 9.431 9.935 ( 0.000 0.000 1.250) 1.250 10.006 ( 0.000 0.000 -1.353) 1.353 10.417 ( 0.000 0.000 4.499) 4.499 10.669 ( 0.000 0.000 0.761) 0.761 10.714 ( 0.000 0.000 -0.905) 0.905 10.769 ( 0.000 0.000 12.895) 12.895 10.937 ( 0.000 0.000 -13.168) 13.168 11.193 ( 0.000 0.000 -5.065) 5.065 11.410 ( 0.000 0.000 1.376) 1.376 11.482 ( 0.000 0.000 -1.757) 1.757 12.351 ( 0.000 0.000 11.124) 11.124 12.582 ( 0.000 0.000 0.298) 0.298 12.597 ( 0.000 0.000 -0.159) 0.159 12.602 ( 0.000 0.000 0.105) 0.105 12.614 ( 0.000 0.000 -0.242) 0.242 12.690 ( 0.000 0.000 1.808) 1.808 12.762 ( 0.000 0.000 -2.657) 2.657 12.832 ( 0.000 0.000 -5.260) 5.260 14.065 ( 0.000 0.000 -2.550) 2.550 14.102 ( 0.000 0.000 -2.323) 2.323 14.185 ( 0.000 0.000 5.126) 5.126 14.313 ( 0.000 0.000 1.444) 1.444 15.864 ( 0.000 0.000 2.353) 2.353 16.077 ( 0.000 0.000 -6.570) 6.570 16.364 ( 0.000 0.000 2.829) 2.829 16.517 ( 0.000 0.000 -3.168) 3.168 17.476 ( 0.000 0.000 8.073) 8.073 17.824 ( 0.000 0.000 -5.463) 5.463 18.285 ( 0.000 0.000 4.388) 4.388 18.514 ( 0.000 0.000 -4.110) 4.110 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 20.687 0.000 24.892) 32.366 1.057 ( 25.494 0.000 23.427) 34.623 1.637 ( 29.554 0.000 45.378) 54.154 1.988 ( 6.171 0.000 -16.036) 17.182 2.070 ( 8.136 0.000 -19.874) 21.475 2.331 ( -12.545 0.000 2.587) 12.809 2.457 ( -9.843 0.000 14.259) 17.326 2.457 ( -5.343 0.000 0.388) 5.357 2.690 ( -1.965 0.000 1.504) 2.474 2.753 ( -1.577 0.000 -0.163) 1.586 2.903 ( 2.136 0.000 12.474) 12.656 2.940 ( -2.323 0.000 -1.848) 2.968 2.971 ( 0.974 0.000 -1.334) 1.652 3.125 ( -5.597 0.000 -3.122) 6.409 3.278 ( 5.146 0.000 -6.669) 8.424 3.425 ( 7.909 0.000 2.186) 8.205 3.465 ( 13.688 0.000 -5.510) 14.755 3.539 ( -1.717 0.000 -15.141) 15.238 3.565 ( 3.457 0.000 0.323) 3.472 3.745 ( -2.263 0.000 -15.895) 16.056 3.972 ( 0.503 0.000 2.964) 3.007 4.118 ( -2.090 0.000 -2.371) 3.161 4.181 ( 12.573 0.000 -11.775) 17.226 4.228 ( 1.169 0.000 4.204) 4.364 4.555 ( -9.820 0.000 2.614) 10.162 4.659 ( -3.551 0.000 -6.871) 7.735 4.895 ( -8.757 0.000 -7.870) 11.774 5.150 ( -12.792 0.000 -12.578) 17.940 5.493 ( 5.823 0.000 4.842) 7.573 5.780 ( -3.088 0.000 -5.041) 5.912 6.000 ( -5.362 0.000 5.224) 7.487 6.124 ( -10.994 0.000 4.314) 11.810 6.258 ( -6.809 0.000 6.798) 9.622 6.371 ( 4.824 0.000 9.924) 11.034 6.422 ( -1.251 0.000 7.542) 7.645 6.645 ( -1.055 0.000 0.495) 1.166 6.803 ( 6.727 0.000 -4.006) 7.829 7.180 ( 9.424 0.000 -2.292) 9.698 7.480 ( -6.442 0.000 3.685) 7.422 7.824 ( -10.448 0.000 1.093) 10.505 7.971 ( 0.223 0.000 3.466) 3.473 8.072 ( -2.442 0.000 1.948) 3.123 8.282 ( 0.164 0.000 -5.087) 5.090 8.336 ( -1.523 0.000 -4.251) 4.516 8.742 ( 12.770 0.000 -0.514) 12.780 8.843 ( 5.993 0.000 3.948) 7.177 8.905 ( 3.628 0.000 -0.646) 3.685 8.961 ( 5.741 0.000 -1.093) 5.844 9.007 ( 7.346 0.000 1.848) 7.575 9.302 ( -5.219 0.000 2.167) 5.651 9.379 ( -4.274 0.000 -0.863) 4.361 9.383 ( -1.665 0.000 -9.816) 9.956 9.759 ( 16.396 0.000 1.395) 16.455 9.890 ( 7.581 0.000 -4.013) 8.578 9.951 ( 1.377 0.000 0.948) 1.672 10.006 ( -0.052 0.000 -1.073) 1.074 10.372 ( -3.763 0.000 4.347) 5.749 10.638 ( -7.210 0.000 2.188) 7.535 10.674 ( 0.507 0.000 0.588) 0.777 10.711 ( -0.325 0.000 -0.758) 0.825 11.113 ( 8.099 0.000 0.511) 8.115 11.212 ( 2.605 0.000 -3.876) 4.670 11.450 ( 4.610 0.000 -3.732) 5.931 11.502 ( -1.925 0.000 -5.571) 5.894 12.266 ( -9.320 0.000 9.272) 13.147 12.434 ( -23.222 0.000 7.776) 24.489 12.584 ( 0.141 0.000 0.291) 0.324 12.597 ( -0.102 0.000 0.026) 0.105 12.602 ( 0.053 0.000 -0.070) 0.088 12.612 ( -0.134 0.000 -0.246) 0.280 12.717 ( 1.683 0.000 1.115) 2.019 12.783 ( 1.720 0.000 -1.489) 2.275 14.002 ( -3.379 0.000 0.921) 3.502 14.112 ( -2.384 0.000 -2.040) 3.138 14.178 ( 0.562 0.000 3.015) 3.067 14.299 ( -1.181 0.000 0.771) 1.410 15.993 ( 8.087 0.000 -2.044) 8.341 16.111 ( 2.892 0.000 -4.325) 5.203 16.403 ( 4.083 0.000 2.593) 4.837 16.604 ( 4.387 0.000 -6.703) 8.011 17.505 ( 3.109 0.000 5.981) 6.741 17.845 ( 1.573 0.000 -5.795) 6.004 18.153 ( -19.593 0.000 11.397) 22.667 18.216 ( -8.335 0.000 3.415) 9.008 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 25.095 0.000 14.895) 29.183 1.568 ( 25.152 0.000 21.050) 32.798 1.947 ( -22.239 0.000 8.908) 23.957 2.048 ( -20.846 0.000 17.204) 27.029 2.160 ( 9.097 0.000 -12.107) 15.144 2.295 ( 14.979 0.000 -7.571) 16.784 2.328 ( 20.815 0.000 12.809) 24.440 2.341 ( -7.823 0.000 -5.168) 9.376 2.672 ( 0.557 0.000 0.826) 0.997 2.706 ( -2.450 0.000 -0.561) 2.513 2.713 ( -3.121 0.000 -2.530) 4.018 2.997 ( 1.659 0.000 -2.619) 3.100 3.041 ( -2.970 0.000 -3.427) 4.535 3.047 ( -9.446 0.000 -0.745) 9.475 3.358 ( 6.185 0.000 12.314) 13.780 3.505 ( -4.436 0.000 -1.166) 4.586 3.557 ( 4.904 0.000 3.500) 6.025 3.608 ( 0.049 0.000 3.048) 3.049 3.724 ( 6.892 0.000 -0.281) 6.898 3.760 ( 2.343 0.000 0.415) 2.379 3.999 ( 2.426 0.000 0.132) 2.429 4.061 ( -3.333 0.000 -1.744) 3.762 4.214 ( 2.227 0.000 -1.155) 2.509 4.269 ( -1.457 0.000 0.240) 1.476 4.471 ( 8.036 0.000 -25.254) 26.501 4.577 ( -10.714 0.000 -13.629) 17.336 4.800 ( -0.859 0.000 -19.392) 19.411 4.859 ( -12.502 0.000 -9.533) 15.722 5.585 ( 4.004 0.000 2.493) 4.716 5.676 ( -4.782 0.000 1.564) 5.031 5.874 ( -5.896 0.000 -4.043) 7.149 5.886 ( -7.474 0.000 -0.538) 7.493 6.271 ( 4.026 0.000 11.148) 11.853 6.358 ( -3.916 0.000 1.676) 4.260 6.507 ( 5.131 0.000 8.933) 10.301 6.584 ( -3.300 0.000 5.748) 6.628 6.984 ( 11.751 0.000 1.534) 11.850 7.243 ( -11.698 0.000 11.628) 16.494 7.414 ( 9.031 0.000 -1.480) 9.152 7.615 ( -10.123 0.000 5.515) 11.528 7.983 ( 1.155 0.000 2.996) 3.211 8.019 ( -2.402 0.000 2.409) 3.402 8.289 ( 0.591 0.000 -4.635) 4.673 8.307 ( -1.236 0.000 -4.301) 4.475 8.952 ( 7.784 0.000 -2.293) 8.114 8.994 ( 8.455 0.000 3.366) 9.100 9.015 ( 3.615 0.000 -1.527) 3.924 9.103 ( 7.600 0.000 -0.972) 7.662 9.127 ( 5.513 0.000 -5.445) 7.749 9.166 ( -7.718 0.000 2.542) 8.126 9.262 ( -7.179 0.000 -1.120) 7.265 9.276 ( -8.039 0.000 -9.841) 12.707 9.980 ( 1.332 0.000 0.297) 1.365 10.000 ( -0.606 0.000 -0.430) 0.743 10.065 ( 11.295 0.000 3.407) 11.798 10.179 ( 17.396 0.000 -2.849) 17.628 10.271 ( -4.366 0.000 5.732) 7.205 10.500 ( -8.930 0.000 -2.604) 9.302 10.687 ( 0.727 0.000 0.150) 0.743 10.701 ( -0.615 0.000 -0.363) 0.714 11.119 ( -0.484 0.000 6.166) 6.185 11.222 ( -8.779 0.000 5.418) 10.316 11.506 ( 8.160 0.000 -6.111) 10.195 11.574 ( 4.371 0.000 -6.003) 7.425 12.056 ( -8.094 0.000 3.779) 8.932 12.077 ( -11.545 0.000 3.250) 11.994 12.588 ( 0.242 0.000 0.268) 0.361 12.593 ( -0.250 0.000 0.211) 0.327 12.605 ( 0.192 0.000 -0.228) 0.298 12.609 ( -0.211 0.000 -0.250) 0.327 12.786 ( 3.285 0.000 0.362) 3.305 12.812 ( 0.587 0.000 -0.214) 0.625 13.970 ( 0.468 0.000 2.008) 2.062 14.023 ( -4.493 0.000 1.575) 4.761 14.215 ( 2.281 0.000 -0.761) 2.404 14.262 ( -2.334 0.000 -0.428) 2.373 16.122 ( 4.455 0.000 -0.445) 4.477 16.158 ( 0.860 0.000 -0.780) 1.162 16.511 ( 6.044 0.000 0.701) 6.084 16.613 ( -3.192 0.000 -2.655) 4.152 17.607 ( 7.037 0.000 3.721) 7.960 17.783 ( -9.800 0.000 3.624) 10.449 17.954 ( 2.045 0.000 -0.123) 2.049 18.058 ( -7.257 0.000 -0.959) 7.320 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 20.899 23.790) 31.666 1.070 ( 0.000 23.955 26.184) 35.489 1.835 ( 0.000 44.162 33.051) 55.160 2.047 ( 0.000 8.923 -14.579) 17.093 2.125 ( 0.000 16.319 -17.383) 23.843 2.529 ( 0.000 10.030 13.481) 16.803 2.615 ( 0.000 18.325 5.433) 19.113 2.722 ( 0.000 14.298 -2.136) 14.457 2.824 ( 0.000 0.974 13.012) 13.049 2.944 ( 0.000 18.989 2.518) 19.155 2.947 ( 0.000 6.383 -2.065) 6.709 2.980 ( 0.000 15.181 -1.824) 15.290 3.168 ( 0.000 12.165 -0.491) 12.175 3.235 ( 0.000 -0.659 -6.953) 6.985 3.298 ( 0.000 3.069 -0.768) 3.164 3.462 ( 0.000 10.664 -13.820) 17.456 3.492 ( 0.000 19.894 7.952) 21.425 3.547 ( 0.000 11.063 -8.374) 13.875 3.763 ( 0.000 14.408 -4.124) 14.987 3.963 ( 0.000 6.910 2.868) 7.482 4.010 ( 0.000 13.518 -33.969) 36.560 4.222 ( 0.000 21.614 0.639) 21.623 4.225 ( 0.000 2.375 9.418) 9.713 4.360 ( 0.000 19.957 -3.222) 20.215 4.458 ( 0.000 1.537 -4.314) 4.579 4.837 ( 0.000 -4.594 12.560) 13.374 4.974 ( 0.000 4.054 -1.062) 4.191 5.179 ( 0.000 -5.190 -12.665) 13.687 5.401 ( 0.000 1.106 9.690) 9.753 5.791 ( 0.000 0.344 -5.336) 5.347 6.073 ( 0.000 -2.201 14.574) 14.739 6.125 ( 0.000 -0.706 12.704) 12.724 6.340 ( 0.000 -4.358 3.673) 5.699 6.373 ( 0.000 -1.816 6.389) 6.642 6.466 ( 0.000 -1.681 1.562) 2.295 6.617 ( 0.000 0.476 -1.325) 1.407 6.649 ( 0.000 -3.635 -1.780) 4.047 6.993 ( 0.000 -4.463 -14.758) 15.418 7.437 ( 0.000 -7.429 4.238) 8.553 7.784 ( 0.000 -12.465 -6.771) 14.185 8.291 ( 0.000 12.901 -1.710) 13.014 8.403 ( 0.000 20.336 -15.243) 25.415 8.411 ( 0.000 11.597 2.205) 11.804 8.478 ( 0.000 -4.090 8.710) 9.623 8.563 ( 0.000 14.669 -4.196) 15.258 8.750 ( 0.000 -6.053 -2.164) 6.428 8.829 ( 0.000 0.031 6.182) 6.182 9.066 ( 0.000 15.736 2.528) 15.938 9.104 ( 0.000 14.474 -1.992) 14.610 9.311 ( 0.000 -5.503 -7.266) 9.115 9.487 ( 0.000 11.616 1.271) 11.685 9.523 ( 0.000 7.438 -0.027) 7.438 9.560 ( 0.000 -0.058 3.702) 3.703 9.823 ( 0.000 1.422 -6.229) 6.389 9.951 ( 0.000 1.545 0.875) 1.775 10.058 ( 0.000 4.374 -3.971) 5.908 10.479 ( 0.000 6.224 4.575) 7.724 10.609 ( 0.000 -4.154 1.277) 4.346 10.655 ( 0.000 -3.218 3.153) 4.506 10.824 ( 0.000 3.163 7.113) 7.785 10.967 ( 0.000 -0.377 -8.839) 8.847 11.186 ( 0.000 -1.141 -8.763) 8.837 11.526 ( 0.000 3.985 -1.286) 4.187 11.562 ( 0.000 10.188 -7.963) 12.931 12.337 ( 0.000 -3.230 8.856) 9.426 12.398 ( 0.000 -12.239 6.554) 13.883 12.431 ( 0.000 -12.321 -1.068) 12.367 12.520 ( 0.000 -6.191 2.314) 6.609 12.585 ( 0.000 -0.120 0.130) 0.177 12.783 ( 0.000 7.016 3.303) 7.754 12.827 ( 0.000 1.617 -7.228) 7.406 12.931 ( 0.000 9.435 -2.018) 9.648 13.979 ( 0.000 -8.592 -2.448) 8.934 14.023 ( 0.000 -7.819 -2.539) 8.221 14.147 ( 0.000 -4.085 4.047) 5.750 14.236 ( 0.000 -7.807 1.947) 8.046 15.961 ( 0.000 4.120 -3.205) 5.220 16.079 ( 0.000 -0.312 -6.309) 6.317 16.358 ( 0.000 -0.565 4.297) 4.334 16.653 ( 0.000 8.883 -13.806) 16.416 17.407 ( 0.000 -6.865 7.529) 10.189 17.735 ( 0.000 -8.894 -5.098) 10.251 18.158 ( 0.000 -12.439 3.310) 12.872 18.162 ( 0.000 -25.204 12.300) 28.045 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 20.380 15.619 19.559) 32.278 1.265 ( 16.879 18.395 23.134) 34.036 2.034 ( 14.839 24.809 5.301) 29.390 2.136 ( 10.931 20.610 7.375) 24.468 2.231 ( 8.565 17.234 -16.039) 25.052 2.480 ( -8.318 7.056 10.309) 15.008 2.537 ( -12.634 17.612 3.688) 21.987 2.627 ( -3.863 15.374 2.080) 15.988 2.866 ( 0.960 10.296 5.985) 11.948 2.918 ( -2.345 0.832 -3.610) 4.384 2.936 ( -1.502 16.267 0.242) 16.338 2.992 ( 3.926 15.182 7.015) 17.179 3.149 ( -0.622 15.096 -2.061) 15.249 3.277 ( 3.185 5.119 -7.166) 9.364 3.325 ( -2.665 10.600 -3.697) 11.539 3.463 ( 10.801 3.113 -1.826) 11.388 3.524 ( 0.847 4.406 -8.257) 9.397 3.647 ( 6.877 17.929 0.672) 19.214 3.709 ( -1.176 10.614 -5.146) 11.854 3.921 ( 0.632 19.733 -2.991) 19.968 4.208 ( 3.545 13.814 -1.754) 14.369 4.223 ( 2.729 8.926 2.224) 9.596 4.240 ( 5.300 6.306 -7.445) 11.103 4.339 ( -2.324 18.576 -3.829) 19.108 4.571 ( 4.733 0.468 -9.906) 10.988 4.605 ( -15.110 0.286 7.257) 16.765 4.922 ( -6.176 3.682 -6.940) 9.993 5.070 ( -10.294 -4.435 -10.723) 15.512 5.473 ( 5.493 -0.176 7.232) 9.083 5.757 ( -4.104 -2.077 -4.667) 6.553 5.967 ( -6.621 -2.838 5.616) 9.134 6.108 ( -9.256 -1.254 6.352) 11.295 6.227 ( -8.366 -2.584 5.418) 10.297 6.355 ( 3.046 -1.932 6.397) 7.344 6.405 ( 1.385 -0.727 8.954) 9.089 6.633 ( -1.732 -0.890 -0.323) 1.974 6.784 ( 7.944 -1.670 -3.602) 8.881 7.079 ( 8.582 -6.470 -4.040) 11.482 7.378 ( -5.591 -7.103 3.826) 9.816 7.704 ( -7.647 -9.153 -2.537) 12.194 8.276 ( -1.125 14.312 -1.363) 14.420 8.354 ( -2.621 20.529 -6.981) 21.841 8.414 ( -1.075 12.587 0.565) 12.646 8.437 ( -2.309 7.370 2.486) 8.114 8.705 ( 10.519 -0.479 -3.916) 11.234 8.823 ( 6.536 -4.578 -2.333) 8.314 8.889 ( 4.961 -1.101 3.192) 6.001 9.068 ( 2.107 13.867 2.317) 14.216 9.163 ( 4.080 12.122 -1.696) 12.902 9.293 ( -2.811 -3.956 -7.245) 8.720 9.438 ( -3.968 9.897 1.501) 10.768 9.485 ( -3.768 8.965 -1.256) 9.806 9.727 ( 14.864 -1.853 3.520) 15.387 9.879 ( 5.685 0.094 -2.598) 6.251 9.996 ( 4.210 3.119 0.248) 5.245 10.068 ( 1.114 5.489 -2.413) 6.098 10.416 ( -4.832 4.122 3.632) 7.316 10.567 ( -5.146 -3.960 0.951) 6.562 10.644 ( 1.031 -1.699 1.991) 2.813 10.760 ( -2.934 2.837 2.299) 4.685 11.098 ( 6.860 -1.970 1.765) 7.352 11.275 ( 7.273 2.524 -9.191) 11.989 11.481 ( -0.290 2.919 -2.105) 3.610 11.547 ( -5.824 4.001 -7.166) 10.064 12.257 ( -10.644 -2.477 9.714) 14.622 12.300 ( -7.730 -8.890 5.204) 12.879 12.433 ( -0.164 -11.581 -0.892) 11.617 12.530 ( 0.594 -4.811 2.726) 5.561 12.575 ( -2.425 -0.709 0.054) 2.527 12.627 ( -8.279 1.053 -2.585) 8.737 12.826 ( 2.170 7.739 1.730) 8.221 12.931 ( 1.281 10.378 -2.316) 10.710 13.938 ( -2.452 -6.996 -0.180) 7.415 14.041 ( -0.864 -7.336 -3.363) 8.117 14.124 ( -0.983 -5.332 3.584) 6.499 14.224 ( -1.125 -7.545 1.083) 7.705 16.028 ( 5.503 1.970 -2.375) 6.309 16.115 ( 3.023 -0.060 -4.507) 5.427 16.396 ( 3.899 -0.699 3.784) 5.478 16.672 ( 0.334 4.846 -10.273) 11.364 17.431 ( 2.607 -7.387 5.881) 9.795 17.751 ( 0.990 -9.338 -5.092) 10.682 17.975 ( -12.932 -15.687 12.892) 24.073 18.091 ( -6.187 -11.866 1.790) 13.501 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 24.088 14.604 14.864) 31.851 1.669 ( 23.017 10.077 16.835) 30.245 2.057 ( -15.434 6.381 10.470) 19.711 2.148 ( -22.309 12.049 9.712) 27.151 2.346 ( 5.203 13.793 -10.035) 17.833 2.422 ( 9.080 14.934 -11.531) 20.939 2.487 ( 1.401 16.562 -2.268) 16.775 2.596 ( 3.351 20.832 4.357) 21.545 2.781 ( -1.505 9.002 -1.595) 9.265 2.850 ( -2.434 15.241 -1.515) 15.509 2.929 ( 5.837 22.071 3.875) 23.156 3.157 ( 2.093 12.384 0.207) 12.561 3.174 ( 0.523 15.277 -1.596) 15.369 3.217 ( -3.368 15.902 -4.407) 16.842 3.385 ( 4.194 3.773 10.331) 11.771 3.512 ( -3.064 4.013 0.120) 5.050 3.659 ( 4.758 2.756 1.854) 5.803 3.719 ( -1.133 8.180 5.050) 9.680 3.813 ( 8.829 13.234 0.454) 15.915 3.902 ( -2.333 17.159 4.612) 17.921 4.215 ( 0.179 10.293 0.101) 10.295 4.229 ( 1.178 2.584 2.337) 3.678 4.239 ( -2.014 16.845 -0.293) 16.967 4.292 ( -3.472 11.482 0.466) 12.005 4.530 ( 6.460 6.402 -23.227) 24.944 4.600 ( -4.598 3.775 -12.527) 13.868 4.815 ( -5.174 2.731 -19.944) 20.784 4.830 ( -7.584 -0.623 -11.031) 13.402 5.568 ( 3.959 -1.252 3.403) 5.369 5.651 ( -4.352 -2.113 1.679) 5.121 5.832 ( -4.969 -3.480 -4.036) 7.286 5.875 ( -8.725 -0.516 -0.326) 8.746 6.223 ( 3.925 -4.115 12.874) 14.074 6.318 ( -4.794 -3.633 3.704) 7.064 6.499 ( 4.796 -0.365 7.750) 9.121 6.570 ( -2.996 -0.907 4.648) 5.604 6.972 ( 11.096 -1.013 0.690) 11.163 7.197 ( -8.925 -3.565 9.527) 13.533 7.305 ( 9.319 -7.456 -3.222) 12.362 7.515 ( -10.386 -7.020 1.854) 12.672 8.263 ( 0.248 17.294 -0.956) 17.322 8.293 ( -2.686 20.434 -2.118) 20.718 8.404 ( 0.296 9.694 -0.127) 9.700 8.415 ( -0.680 11.662 0.151) 11.683 8.884 ( 6.985 -4.251 -2.004) 8.418 8.955 ( 1.032 -6.170 -0.234) 6.261 8.995 ( 8.475 -2.312 -4.495) 9.868 9.131 ( -0.630 2.470 -3.536) 4.359 9.202 ( -0.647 4.786 -2.360) 5.375 9.241 ( 1.314 11.142 -0.300) 11.223 9.348 ( -3.551 10.475 0.129) 11.061 9.387 ( -5.179 8.820 -1.994) 10.421 9.972 ( 5.842 -0.544 0.841) 5.927 10.027 ( 1.525 2.740 -1.230) 3.368 10.092 ( 8.862 2.186 2.752) 9.533 10.169 ( 8.183 -0.747 -1.593) 8.370 10.324 ( -1.501 5.193 4.909) 7.302 10.458 ( -6.615 -2.345 -0.588) 7.043 10.674 ( 2.219 -0.643 0.451) 2.354 10.721 ( -1.673 1.661 0.473) 2.404 11.140 ( 0.377 1.538 5.938) 6.145 11.272 ( -12.130 4.054 2.871) 13.108 11.499 ( 8.307 -0.927 -6.076) 10.333 11.557 ( 4.437 -1.856 -5.022) 6.953 12.044 ( -7.397 -1.529 4.145) 8.616 12.074 ( -10.822 -0.040 2.406) 11.086 12.442 ( 1.053 -10.621 -1.658) 10.801 12.476 ( -2.660 -7.714 -2.334) 8.487 12.565 ( 1.302 -3.021 2.020) 3.861 12.587 ( -0.818 -1.180 1.277) 1.921 12.902 ( 4.015 8.082 0.751) 9.056 12.948 ( -0.355 9.574 -0.842) 9.618 13.916 ( 0.634 -5.895 1.171) 6.043 13.969 ( -4.298 -5.828 0.716) 7.276 14.144 ( 1.995 -7.105 -0.519) 7.398 14.188 ( -2.237 -7.452 -0.324) 7.787 16.133 ( 3.989 0.636 -0.642) 4.091 16.164 ( 0.949 0.270 -1.177) 1.537 16.505 ( 6.475 -0.615 1.356) 6.644 16.627 ( -4.797 0.990 -3.061) 5.776 17.520 ( 6.304 -8.576 3.834) 11.313 17.677 ( -8.658 -10.325 3.944) 14.040 17.859 ( 2.236 -9.401 -0.650) 9.685 17.954 ( -6.491 -10.300 -1.189) 12.233 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 25.759 13.977) 29.306 1.570 ( 0.000 25.851 15.726) 30.258 2.235 ( 0.000 13.249 -15.815) 20.631 2.436 ( 0.000 15.638 -11.217) 19.245 2.777 ( 0.000 26.259 17.375) 31.487 2.829 ( 0.000 16.492 0.228) 16.494 2.889 ( 0.000 20.204 9.980) 22.535 2.972 ( 0.000 5.973 -4.247) 7.329 3.043 ( 0.000 16.921 -1.823) 17.018 3.074 ( 0.000 19.250 4.980) 19.884 3.233 ( 0.000 1.267 -5.510) 5.653 3.323 ( 0.000 9.233 1.004) 9.288 3.416 ( 0.000 18.096 -6.945) 19.383 3.479 ( 0.000 34.474 4.019) 34.708 3.602 ( 0.000 27.715 5.530) 28.261 3.622 ( 0.000 12.791 -12.745) 18.056 3.868 ( 0.000 5.057 -0.585) 5.090 3.889 ( 0.000 16.804 6.484) 18.012 4.028 ( 0.000 25.051 -3.455) 25.288 4.295 ( 0.000 4.991 14.854) 15.670 4.374 ( 0.000 24.545 3.812) 24.839 4.436 ( 0.000 20.760 -15.269) 25.770 4.529 ( 0.000 15.981 -15.954) 22.581 4.680 ( 0.000 21.952 3.547) 22.236 4.877 ( 0.000 27.186 -1.198) 27.212 4.899 ( 0.000 13.466 3.923) 14.026 5.108 ( 0.000 -0.514 -9.937) 9.950 5.150 ( 0.000 16.243 -7.345) 17.826 5.461 ( 0.000 5.646 9.237) 10.826 5.833 ( 0.000 4.948 -5.649) 7.510 6.032 ( 0.000 -0.794 14.454) 14.475 6.117 ( 0.000 -0.335 7.401) 7.409 6.248 ( 0.000 -4.696 2.788) 5.462 6.335 ( 0.000 -1.777 4.333) 4.683 6.455 ( 0.000 1.606 2.354) 2.850 6.577 ( 0.000 -3.383 -1.304) 3.626 6.651 ( 0.000 3.393 -0.979) 3.532 6.904 ( 0.000 -3.735 -12.847) 13.379 7.287 ( 0.000 -7.719 1.698) 7.903 7.534 ( 0.000 -12.536 -6.175) 13.974 8.319 ( 0.000 -7.695 9.042) 11.873 8.439 ( 0.000 2.480 0.332) 2.502 8.594 ( 0.000 -5.111 -5.125) 7.238 8.669 ( 0.000 3.958 -7.775) 8.724 8.791 ( 0.000 16.972 2.248) 17.121 8.798 ( 0.000 -1.134 2.919) 3.131 8.813 ( 0.000 8.874 -0.180) 8.876 9.136 ( 0.000 -6.324 -8.289) 10.426 9.423 ( 0.000 16.072 0.598) 16.083 9.486 ( 0.000 18.274 -1.823) 18.364 9.570 ( 0.000 6.884 8.445) 10.895 9.726 ( 0.000 7.706 0.447) 7.719 9.759 ( 0.000 14.151 -0.999) 14.186 9.878 ( 0.000 5.643 -1.195) 5.768 10.006 ( 0.000 4.680 0.721) 4.736 10.145 ( 0.000 4.172 -6.193) 7.467 10.542 ( 0.000 -2.460 1.236) 2.753 10.563 ( 0.000 -0.792 2.315) 2.447 10.712 ( 0.000 12.221 4.543) 13.038 10.887 ( 0.000 4.060 2.617) 4.830 10.908 ( 0.000 -4.739 -0.161) 4.742 11.166 ( 0.000 -0.175 -7.691) 7.693 11.614 ( 0.000 4.453 -0.481) 4.479 11.691 ( 0.000 2.889 -7.583) 8.114 12.133 ( 0.000 -9.483 2.809) 9.890 12.192 ( 0.000 -10.419 -3.031) 10.851 12.333 ( 0.000 -1.624 10.314) 10.441 12.419 ( 0.000 -3.226 6.358) 7.129 12.586 ( 0.000 -0.184 0.493) 0.527 12.847 ( 0.000 0.551 -8.262) 8.281 12.931 ( 0.000 7.418 2.619) 7.866 13.096 ( 0.000 5.712 -3.239) 6.567 13.745 ( 0.000 -14.302 -1.683) 14.401 13.813 ( 0.000 -12.724 -3.111) 13.098 14.013 ( 0.000 -14.585 2.951) 14.881 14.017 ( 0.000 -9.232 1.799) 9.406 15.993 ( 0.000 0.001 -2.771) 2.771 16.046 ( 0.000 -3.131 -5.489) 6.319 16.338 ( 0.000 -1.704 6.920) 7.127 16.743 ( 0.000 0.071 -14.869) 14.869 17.218 ( 0.000 -12.044 6.115) 13.507 17.491 ( 0.000 -15.299 -3.873) 15.781 17.690 ( 0.000 -22.943 12.435) 26.096 17.829 ( 0.000 -19.990 1.358) 20.036 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 13.373 22.346 12.688) 28.968 1.684 ( 10.541 22.728 15.667) 29.549 2.260 ( 2.400 11.632 -13.016) 17.620 2.508 ( 3.278 12.918 -6.157) 14.681 2.743 ( -4.727 15.756 -6.557) 17.708 2.864 ( -8.299 13.429 3.174) 16.102 2.903 ( -2.997 15.436 -2.646) 15.945 2.945 ( 5.347 8.242 6.730) 11.909 2.994 ( 6.461 31.448 9.854) 33.583 3.121 ( 2.491 20.658 6.355) 21.757 3.291 ( 0.956 13.232 -2.669) 13.533 3.362 ( 3.675 9.281 -5.272) 11.289 3.410 ( 5.350 5.051 -3.494) 8.145 3.523 ( -0.317 23.245 -3.873) 23.568 3.563 ( 3.113 34.266 3.848) 34.622 3.674 ( 1.274 17.681 -2.031) 17.843 3.772 ( -3.458 13.709 4.798) 14.931 3.964 ( 2.748 12.490 1.192) 12.844 4.017 ( -0.267 17.730 -0.435) 17.737 4.311 ( 0.368 7.797 10.550) 13.123 4.390 ( 2.249 18.551 1.884) 18.782 4.488 ( 2.717 13.667 -8.466) 16.305 4.555 ( -2.278 22.495 -1.049) 22.634 4.681 ( 1.362 21.812 -8.342) 23.392 4.818 ( -1.472 23.602 -1.588) 23.701 4.880 ( -1.946 22.258 -2.410) 22.472 5.007 ( -8.688 3.402 -10.397) 13.970 5.131 ( -2.785 17.403 -9.147) 19.856 5.502 ( 3.013 3.362 8.086) 9.261 5.730 ( -7.479 0.716 -3.100) 8.128 5.918 ( -8.714 -1.512 5.142) 10.231 6.092 ( -3.329 0.270 8.737) 9.354 6.190 ( -11.377 0.069 -1.456) 11.470 6.290 ( 0.650 -4.279 1.629) 4.625 6.425 ( 4.162 3.233 11.197) 12.376 6.631 ( -2.896 1.337 -0.021) 3.190 6.751 ( 9.860 -1.515 -2.570) 10.302 6.969 ( 7.371 -4.363 -5.916) 10.410 7.240 ( -4.047 -6.825 1.842) 8.146 7.508 ( -3.733 -10.511 -4.458) 12.012 8.395 ( 5.291 -5.101 7.010) 10.156 8.445 ( 0.893 2.217 1.953) 3.087 8.655 ( 1.853 5.474 -6.463) 8.670 8.687 ( 1.789 -1.200 -0.137) 2.159 8.714 ( 0.960 4.083 -1.876) 4.595 8.799 ( 0.787 9.518 -2.100) 9.779 8.896 ( 3.391 1.532 0.722) 3.791 9.126 ( -1.617 -4.698 -9.838) 11.021 9.442 ( 0.991 18.701 1.243) 18.768 9.503 ( 1.388 17.173 -1.716) 17.314 9.614 ( 1.069 6.150 4.189) 7.517 9.670 ( -4.253 6.514 0.024) 7.780 9.794 ( 6.643 11.600 3.149) 13.733 9.938 ( 6.269 6.971 0.237) 9.378 10.059 ( 4.505 3.838 -0.169) 5.921 10.179 ( 2.105 4.971 -2.982) 6.167 10.478 ( -4.138 0.661 0.177) 4.194 10.523 ( -3.494 -0.198 0.344) 3.516 10.683 ( -1.515 6.273 4.736) 8.005 10.818 ( -3.630 3.608 1.767) 5.414 11.052 ( 9.299 -1.197 2.746) 9.769 11.274 ( 8.965 -1.498 -6.746) 11.319 11.543 ( -5.282 2.947 -0.724) 6.092 11.608 ( -9.540 1.276 -6.379) 11.547 12.092 ( -4.120 -7.999 3.975) 9.836 12.190 ( -1.260 -8.371 -2.844) 8.930 12.281 ( -3.554 -1.574 6.428) 7.512 12.453 ( 2.853 -2.071 6.182) 7.117 12.569 ( -3.361 -0.006 0.883) 3.475 12.649 ( -12.235 1.134 -4.267) 13.007 12.984 ( 2.825 7.684 0.719) 8.218 13.112 ( 1.734 6.929 -3.541) 7.972 13.728 ( -0.936 -13.757 -0.633) 13.804 13.833 ( 0.220 -13.106 -4.039) 13.716 13.960 ( -2.996 -11.990 3.116) 12.745 14.016 ( -1.289 -12.783 1.063) 12.892 16.042 ( 4.290 -0.549 -2.196) 4.850 16.088 ( 3.598 -2.820 -4.455) 6.383 16.374 ( 3.696 -1.659 6.152) 7.367 16.723 ( -2.422 -0.275 -11.005) 11.271 17.228 ( 1.409 -12.768 5.405) 13.936 17.494 ( -0.760 -16.125 -2.213) 16.294 17.621 ( -4.761 -19.476 8.758) 21.879 17.778 ( -4.624 -19.108 0.312) 19.662 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 20.834 15.137 9.009) 27.283 1.953 ( 16.414 16.596 13.844) 27.138 2.230 ( -8.704 11.486 6.083) 15.643 2.393 ( -17.007 12.777 3.480) 21.555 2.613 ( -1.585 11.725 -6.760) 13.627 2.732 ( -7.827 12.392 -10.129) 17.817 2.847 ( 7.050 18.456 -12.539) 23.400 3.002 ( -4.877 20.145 -6.753) 21.799 3.161 ( 5.491 25.060 5.226) 26.181 3.220 ( 1.526 19.255 1.784) 19.398 3.282 ( 7.513 13.874 5.045) 16.565 3.453 ( -1.875 8.022 0.093) 8.239 3.491 ( 2.295 12.346 -4.502) 13.340 3.525 ( -0.632 11.636 -0.253) 11.656 3.687 ( 7.363 25.339 5.668) 26.989 3.736 ( 0.643 10.602 2.521) 10.916 3.764 ( 9.538 26.455 5.041) 28.570 3.985 ( -3.547 22.026 5.396) 22.953 4.058 ( 4.858 6.730 2.116) 8.565 4.192 ( -10.587 9.531 3.526) 14.675 4.429 ( 1.394 14.725 4.217) 15.381 4.468 ( -0.760 23.870 4.481) 24.299 4.547 ( 2.244 12.785 -1.963) 13.128 4.690 ( -6.698 15.260 -8.257) 18.599 4.756 ( -3.703 24.873 -4.694) 25.582 4.799 ( -3.955 13.874 -3.952) 14.958 4.968 ( 6.830 21.527 -18.788) 29.377 5.068 ( -3.346 23.282 -15.169) 27.989 5.550 ( 2.229 -0.101 5.327) 5.775 5.623 ( -3.618 0.475 1.460) 3.930 5.771 ( -2.468 -2.193 -4.146) 5.300 5.884 ( -11.554 1.528 -5.142) 12.739 6.155 ( 3.451 -1.175 12.373) 12.899 6.244 ( -4.565 -2.625 6.205) 8.138 6.514 ( 3.877 2.582 7.364) 8.714 6.573 ( -2.398 1.880 4.404) 5.356 6.950 ( 9.974 -1.164 -1.682) 10.182 7.128 ( -7.151 -3.681 2.046) 8.299 7.163 ( 10.575 -6.628 -2.121) 12.659 7.370 ( -9.405 -7.720 -1.285) 12.235 8.445 ( 1.141 1.690 2.264) 3.047 8.465 ( -0.472 0.733 4.749) 4.828 8.675 ( 3.297 11.470 -1.252) 12.000 8.729 ( -1.022 14.030 -1.406) 14.137 8.802 ( 4.782 -3.376 -2.916) 6.540 8.828 ( 1.488 -5.081 -3.218) 6.196 8.957 ( 3.429 -3.509 -2.887) 5.693 9.053 ( -5.320 -4.535 -9.209) 11.562 9.477 ( 2.856 16.959 1.445) 17.258 9.522 ( 0.223 15.878 -0.847) 15.902 9.577 ( -2.721 11.597 1.392) 11.993 9.592 ( -2.931 11.069 0.342) 11.456 9.987 ( 9.391 3.256 1.376) 10.035 10.111 ( 4.767 6.147 -2.076) 8.051 10.135 ( 2.064 2.043 2.271) 3.686 10.175 ( -0.026 2.183 0.718) 2.298 10.438 ( -0.354 5.031 1.887) 5.385 10.466 ( -1.691 3.432 2.225) 4.426 10.685 ( 3.077 1.924 0.831) 3.723 10.763 ( -2.553 2.725 0.531) 3.771 11.178 ( 2.906 2.789 4.547) 6.074 11.334 ( -14.159 1.351 0.419) 14.229 11.458 ( 7.511 -3.157 -4.444) 9.280 11.502 ( 1.676 -3.331 -2.734) 4.624 12.002 ( -2.550 -2.020 3.521) 4.794 12.079 ( -8.617 0.337 0.525) 8.639 12.269 ( 2.220 -5.669 -3.100) 6.832 12.367 ( -8.485 -2.931 -4.711) 10.139 12.518 ( 3.195 -0.975 5.512) 6.445 12.570 ( -1.910 -0.257 3.624) 4.104 13.064 ( 4.648 7.999 -0.339) 9.258 13.128 ( -1.057 8.211 -2.273) 8.585 13.728 ( 1.313 -13.138 0.222) 13.206 13.785 ( -3.919 -12.820 -0.498) 13.415 13.941 ( 0.946 -13.281 -0.294) 13.318 13.977 ( -2.231 -13.666 -0.392) 13.852 16.127 ( 3.299 -1.583 -1.225) 3.859 16.148 ( 1.400 -2.232 -1.925) 3.263 16.486 ( 7.191 -1.320 2.775) 7.820 16.633 ( -6.512 -0.720 -3.112) 7.254 17.287 ( 4.613 -14.510 3.948) 15.729 17.406 ( -6.623 -16.495 4.163) 18.256 17.601 ( 2.219 -16.253 -1.480) 16.470 17.675 ( -4.896 -17.342 -1.610) 18.092 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 23.073 7.641) 24.306 2.049 ( 0.000 22.212 5.710) 22.934 2.525 ( 0.000 15.575 -6.237) 16.777 2.770 ( 0.000 17.885 -8.617) 19.853 2.881 ( 0.000 3.012 8.839) 9.338 2.989 ( 0.000 2.900 -6.578) 7.189 3.104 ( 0.000 4.893 -2.038) 5.300 3.155 ( 0.000 1.575 -5.769) 5.980 3.350 ( 0.000 11.153 -3.362) 11.648 3.367 ( 0.000 13.414 -3.525) 13.870 3.571 ( 0.000 21.255 -0.030) 21.255 3.653 ( 0.000 18.576 7.598) 20.070 3.801 ( 0.000 21.433 -4.475) 21.895 3.916 ( 0.000 13.999 -2.290) 14.185 3.995 ( 0.000 20.332 -2.087) 20.439 4.028 ( 0.000 13.102 4.461) 13.841 4.235 ( 0.000 17.380 5.722) 18.298 4.303 ( 0.000 20.585 5.962) 21.431 4.362 ( 0.000 6.326 5.459) 8.356 4.478 ( 0.000 36.367 10.385) 37.821 4.661 ( 0.000 7.975 2.661) 8.407 4.742 ( 0.000 17.094 -1.486) 17.159 4.967 ( 0.000 -3.139 -11.603) 12.020 5.086 ( 0.000 24.844 -6.233) 25.613 5.134 ( 0.000 19.295 9.936) 21.703 5.385 ( 0.000 26.968 -5.765) 27.577 5.486 ( 0.000 31.384 -1.150) 31.405 5.608 ( 0.000 26.107 -7.612) 27.194 5.632 ( 0.000 10.500 5.318) 11.770 6.012 ( 0.000 11.814 -8.919) 14.803 6.088 ( 0.000 -2.494 2.889) 3.816 6.121 ( 0.000 11.183 3.096) 11.604 6.202 ( 0.000 2.080 3.930) 4.447 6.336 ( 0.000 4.720 3.187) 5.696 6.519 ( 0.000 -2.196 -2.483) 3.315 6.572 ( 0.000 9.445 -3.379) 10.031 6.784 ( 0.000 12.054 3.260) 12.487 6.895 ( 0.000 4.629 -3.658) 5.900 7.136 ( 0.000 -7.264 2.573) 7.706 7.312 ( 0.000 -8.982 -4.374) 9.990 8.171 ( 0.000 -6.896 7.138) 9.925 8.410 ( 0.000 -4.592 4.283) 6.279 8.438 ( 0.000 -8.653 -3.077) 9.184 8.721 ( 0.000 -2.429 -7.179) 7.579 8.762 ( 0.000 -0.933 0.318) 0.986 8.802 ( 0.000 -4.695 -1.243) 4.856 9.033 ( 0.000 6.211 1.008) 6.293 9.130 ( 0.000 3.274 -3.151) 4.544 9.611 ( 0.000 6.170 6.622) 9.051 9.749 ( 0.000 7.311 -1.535) 7.470 9.784 ( 0.000 0.664 2.664) 2.745 9.814 ( 0.000 9.686 2.164) 9.924 9.969 ( 0.000 10.867 -3.207) 11.331 10.099 ( 0.000 8.562 -6.456) 10.723 10.129 ( 0.000 6.806 2.024) 7.101 10.251 ( 0.000 10.517 -1.693) 10.652 10.466 ( 0.000 -7.195 -1.214) 7.296 10.579 ( 0.000 4.359 -2.025) 4.807 10.867 ( 0.000 3.118 3.868) 4.968 11.002 ( 0.000 11.284 -0.778) 11.310 11.024 ( 0.000 14.241 2.852) 14.524 11.195 ( 0.000 3.228 0.320) 3.244 11.686 ( 0.000 2.726 0.859) 2.858 11.694 ( 0.000 -2.052 -2.213) 3.018 12.022 ( 0.000 -1.906 0.499) 1.970 12.058 ( 0.000 -3.240 -4.126) 5.246 12.283 ( 0.000 -3.825 7.976) 8.846 12.420 ( 0.000 3.732 7.787) 8.635 12.565 ( 0.000 -1.966 3.075) 3.650 12.840 ( 0.000 -2.348 -11.370) 11.610 13.047 ( 0.000 3.297 0.037) 3.297 13.083 ( 0.000 -8.071 -1.854) 8.281 13.483 ( 0.000 -10.703 1.742) 10.844 13.571 ( 0.000 -10.170 -4.268) 11.029 13.685 ( 0.000 -17.456 1.741) 17.543 13.783 ( 0.000 -14.479 -0.634) 14.493 15.963 ( 0.000 -5.062 -4.082) 6.503 15.982 ( 0.000 -0.815 -3.513) 3.606 16.285 ( 0.000 -3.604 8.622) 9.345 16.677 ( 0.000 -6.200 -10.846) 12.493 16.953 ( 0.000 -14.392 4.367) 15.040 17.162 ( 0.000 -17.484 -2.614) 17.679 17.245 ( 0.000 -22.442 8.756) 24.090 17.410 ( 0.000 -21.732 -0.158) 21.732 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 8.470 21.700 7.203) 24.383 2.112 ( 6.126 20.064 5.960) 21.809 2.527 ( 0.246 14.799 -5.415) 15.761 2.762 ( -1.468 11.884 -0.943) 12.012 2.937 ( -0.421 2.345 -1.278) 2.703 2.969 ( -0.543 8.501 -13.884) 16.288 3.065 ( -0.559 5.263 3.126) 6.147 3.213 ( 0.255 14.634 -3.057) 14.952 3.362 ( 5.875 0.898 -1.298) 6.084 3.391 ( 3.516 8.150 -0.551) 8.893 3.593 ( 2.250 20.330 -0.259) 20.456 3.668 ( 1.658 21.604 4.734) 22.179 3.774 ( -2.256 22.761 -0.528) 22.879 3.922 ( -3.361 14.661 -3.213) 15.381 3.945 ( -2.300 14.902 2.386) 15.266 4.054 ( -8.325 14.978 3.383) 17.467 4.123 ( 6.187 10.456 4.517) 12.962 4.263 ( -1.621 9.810 1.021) 9.995 4.423 ( -3.069 10.009 -5.137) 11.661 4.511 ( 3.485 42.620 9.285) 43.758 4.682 ( 4.717 13.111 4.454) 14.629 4.829 ( 5.425 18.581 5.063) 20.008 4.934 ( -1.968 1.383 -9.653) 9.948 5.086 ( -3.727 20.267 10.456) 23.108 5.183 ( 7.317 18.536 -5.300) 20.620 5.345 ( -3.167 30.186 -5.822) 30.905 5.459 ( -2.989 27.814 -1.008) 27.992 5.554 ( -3.565 17.895 -5.719) 19.122 5.656 ( 0.446 15.826 2.005) 15.959 5.836 ( -12.485 8.381 3.512) 15.442 5.955 ( -6.775 8.920 -6.861) 13.135 6.154 ( -3.471 1.758 -1.542) 4.185 6.202 ( -0.958 5.640 3.002) 6.461 6.327 ( -0.985 13.010 -5.045) 13.989 6.540 ( 5.292 7.324 5.715) 10.692 6.691 ( 3.558 1.735 1.174) 4.129 6.761 ( 3.201 7.551 2.011) 8.445 6.943 ( 3.822 3.643 -3.097) 6.122 7.120 ( -1.463 -4.740 2.305) 5.470 7.303 ( -1.910 -9.565 -4.206) 10.621 8.262 ( 7.533 -7.110 7.228) 12.631 8.410 ( 0.144 -4.841 4.535) 6.635 8.545 ( 9.389 -7.826 -2.869) 12.555 8.680 ( -2.836 -4.299 -2.266) 5.626 8.774 ( 1.081 1.966 -3.783) 4.398 8.814 ( 1.797 -4.053 -2.412) 5.047 9.002 ( -2.913 4.979 0.829) 5.828 9.115 ( -3.104 0.815 -4.685) 5.678 9.667 ( 4.101 3.759 2.536) 6.113 9.725 ( -1.064 4.413 0.198) 4.544 9.783 ( 0.780 9.445 0.453) 9.488 9.818 ( 0.518 9.330 2.545) 9.685 10.040 ( 5.205 10.503 -1.064) 11.770 10.106 ( 0.842 7.932 3.459) 8.694 10.175 ( 4.323 4.278 -4.764) 7.726 10.286 ( 1.088 10.075 1.661) 10.269 10.453 ( 1.477 -3.204 -3.074) 4.680 10.569 ( -0.979 5.719 -2.811) 6.447 10.801 ( -4.644 5.308 3.965) 8.091 10.922 ( -5.814 6.439 -0.349) 8.682 11.141 ( 8.938 10.761 2.697) 14.246 11.261 ( 4.790 1.165 0.105) 4.931 11.586 ( -8.550 0.690 -0.212) 8.580 11.599 ( -9.236 -0.893 -1.474) 9.395 11.989 ( -1.954 -2.638 1.639) 3.669 12.084 ( 1.708 -1.601 -4.857) 5.392 12.258 ( -1.710 -1.550 6.294) 6.704 12.473 ( 3.891 4.332 6.949) 9.066 12.568 ( -1.037 -0.205 2.540) 2.751 12.668 ( -13.086 0.415 -5.596) 14.238 13.091 ( 3.087 1.534 -1.002) 3.590 13.134 ( 5.168 -7.132 -3.245) 9.386 13.463 ( -1.866 -10.481 0.534) 10.659 13.576 ( -1.015 -11.094 -4.529) 12.026 13.654 ( -2.280 -17.503 2.231) 17.792 13.743 ( -3.323 -15.244 -0.818) 15.624 15.997 ( 3.135 -4.658 -3.153) 6.439 16.025 ( 3.418 -2.581 -3.453) 5.502 16.329 ( 4.352 -2.921 7.432) 9.094 16.664 ( -1.632 -5.516 -8.657) 10.394 16.951 ( 0.066 -14.884 4.606) 15.580 17.148 ( -2.822 -18.313 1.983) 18.635 17.222 ( -0.450 -20.826 2.874) 21.028 17.375 ( -3.233 -21.067 -0.803) 21.329 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 13.475 15.527 5.139) 21.191 2.272 ( 8.905 15.181 6.164) 18.648 2.487 ( -4.038 13.807 1.473) 14.461 2.654 ( -15.377 12.875 1.487) 20.111 2.804 ( 2.204 8.933 -5.002) 10.473 2.935 ( -7.273 8.974 -4.020) 12.231 3.149 ( 9.940 10.731 -13.206) 19.707 3.298 ( 1.262 11.066 -7.281) 13.306 3.429 ( 4.681 6.631 3.189) 8.720 3.536 ( 3.201 3.927 2.799) 5.788 3.603 ( 0.452 16.860 5.637) 17.783 3.663 ( -3.435 13.079 5.148) 14.469 3.781 ( 2.751 21.478 -1.295) 21.692 3.831 ( -3.248 17.209 -2.380) 17.674 3.895 ( 0.213 10.683 2.681) 11.016 3.965 ( -4.076 13.927 -0.974) 14.544 4.161 ( 2.348 8.728 4.433) 10.067 4.273 ( -6.971 8.480 -2.332) 11.223 4.394 ( 9.726 6.600 -7.178) 13.773 4.580 ( -4.553 20.218 -0.395) 20.728 4.722 ( 5.486 28.583 2.339) 29.199 4.879 ( -5.780 26.388 2.547) 27.133 4.953 ( 5.182 22.169 9.732) 24.759 5.021 ( -0.499 18.149 8.749) 20.154 5.274 ( -1.489 26.184 -3.687) 26.484 5.347 ( -7.349 29.374 1.419) 30.312 5.351 ( 6.029 14.147 -3.639) 15.803 5.457 ( -5.121 6.194 -1.701) 8.215 5.669 ( 5.144 13.647 -3.390) 14.973 5.750 ( 2.728 12.419 -3.944) 13.313 5.827 ( -6.139 16.213 -7.121) 18.742 5.916 ( -13.860 2.000 -7.178) 15.736 6.262 ( 3.814 13.859 3.077) 14.700 6.319 ( -1.480 13.480 -0.259) 13.563 6.627 ( 3.322 9.122 7.327) 12.163 6.678 ( -1.768 9.582 7.687) 12.411 6.930 ( 8.858 -0.951 -3.536) 9.585 7.026 ( 1.923 -3.942 -4.948) 6.612 7.090 ( 0.814 -1.108 2.892) 3.202 7.211 ( -7.050 -8.164 -1.857) 10.945 8.384 ( 3.251 -5.792 6.630) 9.385 8.412 ( -0.242 -5.174 5.479) 7.540 8.682 ( 3.455 -5.542 -0.987) 6.605 8.743 ( 3.868 -2.697 0.560) 4.749 8.784 ( 4.708 -7.197 -7.064) 11.130 8.876 ( 3.273 2.096 -4.696) 6.095 8.937 ( -3.018 5.445 -0.555) 6.250 8.985 ( -8.817 -3.641 -4.147) 10.402 9.734 ( 2.076 5.567 0.357) 5.952 9.744 ( 1.820 7.755 -0.367) 7.974 9.787 ( 0.157 9.343 -0.027) 9.344 9.811 ( -1.392 10.186 0.656) 10.301 10.098 ( 2.006 5.736 1.490) 6.257 10.156 ( -2.067 -0.528 0.690) 2.242 10.259 ( 6.361 7.322 2.474) 10.010 10.303 ( 1.689 11.307 1.215) 11.497 10.541 ( 3.200 3.946 0.267) 5.088 10.549 ( -0.100 7.570 -1.829) 7.788 10.738 ( 0.719 2.924 0.414) 3.040 10.824 ( -4.495 3.256 -1.292) 5.699 11.265 ( 0.418 5.111 1.925) 5.477 11.296 ( -3.724 -3.589 1.563) 5.403 11.439 ( -1.530 1.462 -0.573) 2.193 11.450 ( -1.913 -0.642 -0.708) 2.138 11.990 ( 3.357 0.978 2.376) 4.228 12.092 ( -2.903 1.606 -2.454) 4.127 12.231 ( 0.633 0.895 -0.941) 1.445 12.353 ( -11.987 0.928 -3.884) 12.635 12.545 ( 2.882 3.813 6.114) 7.760 12.584 ( -1.036 1.726 4.923) 5.318 13.184 ( 5.701 2.448 -1.588) 6.404 13.236 ( 2.787 0.475 -2.814) 3.989 13.422 ( -0.928 -16.176 0.074) 16.203 13.488 ( -6.089 -15.954 -0.215) 17.078 13.643 ( 0.831 -15.757 -1.452) 15.846 13.678 ( -2.716 -15.761 -1.666) 16.080 16.063 ( 2.636 -4.907 -2.155) 5.972 16.079 ( 1.223 -4.455 -2.352) 5.184 16.452 ( 7.442 -2.256 3.682) 8.604 16.593 ( -5.703 -3.387 -2.314) 7.025 16.974 ( 2.620 -16.783 4.088) 17.471 17.055 ( -5.110 -18.581 4.474) 19.783 17.245 ( 2.142 -19.228 -2.195) 19.471 17.302 ( -3.498 -19.812 -2.027) 20.220 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 18.084 3.300) 18.383 2.429 ( 0.000 16.386 -1.152) 16.427 2.810 ( 0.000 12.326 1.311) 12.395 2.949 ( 0.000 4.127 5.384) 6.783 2.992 ( 0.000 2.270 -3.216) 3.936 3.136 ( 0.000 7.637 -10.078) 12.644 3.155 ( 0.000 6.948 -2.184) 7.283 3.161 ( 0.000 -0.100 -4.217) 4.218 3.603 ( 0.000 14.251 -1.913) 14.379 3.631 ( 0.000 12.983 -1.553) 13.075 3.791 ( 0.000 6.693 -0.213) 6.696 3.941 ( 0.000 11.605 7.141) 13.626 4.141 ( 0.000 12.265 -7.439) 14.344 4.239 ( 0.000 12.567 -1.736) 12.686 4.336 ( 0.000 10.399 3.127) 10.859 4.376 ( 0.000 13.049 7.788) 15.196 4.384 ( 0.000 16.748 3.721) 17.157 4.503 ( 0.000 12.156 2.902) 12.498 4.634 ( 0.000 11.809 5.806) 13.159 4.759 ( 0.000 3.761 -0.280) 3.772 4.877 ( 0.000 0.564 -2.578) 2.639 4.994 ( 0.000 8.634 -11.168) 14.116 5.274 ( 0.000 8.218 9.360) 12.456 5.334 ( 0.000 4.285 9.127) 10.083 5.507 ( 0.000 37.148 8.811) 38.178 5.697 ( 0.000 0.556 5.455) 5.483 5.930 ( 0.000 24.163 -9.914) 26.117 5.962 ( 0.000 3.041 -0.530) 3.087 5.984 ( 0.000 1.677 -3.055) 3.485 6.247 ( 0.000 26.965 -4.139) 27.281 6.277 ( 0.000 10.332 -11.080) 15.150 6.283 ( 0.000 15.705 -11.869) 19.686 6.346 ( 0.000 9.687 5.118) 10.956 6.507 ( 0.000 7.807 3.360) 8.499 6.743 ( 0.000 26.090 -8.381) 27.403 6.751 ( 0.000 8.416 -3.077) 8.961 6.977 ( 0.000 -0.648 7.126) 7.155 7.125 ( 0.000 17.745 -0.589) 17.755 7.204 ( 0.000 21.056 7.804) 22.456 7.305 ( 0.000 14.398 0.636) 14.413 8.066 ( 0.000 -3.400 4.102) 5.327 8.283 ( 0.000 -6.542 -3.775) 7.554 8.307 ( 0.000 -4.568 5.608) 7.233 8.542 ( 0.000 -10.833 -1.728) 10.969 8.764 ( 0.000 1.132 -0.734) 1.349 8.802 ( 0.000 1.341 -3.141) 3.416 9.074 ( 0.000 -0.952 1.813) 2.048 9.153 ( 0.000 -1.237 -1.226) 1.741 9.674 ( 0.000 0.678 4.100) 4.156 9.743 ( 0.000 -2.496 7.704) 8.099 9.850 ( 0.000 4.991 -4.322) 6.603 9.917 ( 0.000 0.006 0.947) 0.947 10.095 ( 0.000 -4.947 -6.703) 8.331 10.218 ( 0.000 11.826 -0.590) 11.841 10.263 ( 0.000 6.930 -0.548) 6.952 10.272 ( 0.000 -9.257 -5.928) 10.992 10.527 ( 0.000 12.027 -1.933) 12.182 10.745 ( 0.000 11.247 -4.233) 12.017 11.001 ( 0.000 7.845 3.751) 8.695 11.186 ( 0.000 8.637 -3.149) 9.193 11.290 ( 0.000 6.243 10.257) 12.008 11.337 ( 0.000 14.256 1.355) 14.320 11.637 ( 0.000 -3.166 3.221) 4.516 11.731 ( 0.000 2.514 3.229) 4.092 12.036 ( 0.000 -0.197 -3.103) 3.109 12.038 ( 0.000 2.846 -0.528) 2.894 12.172 ( 0.000 -7.285 3.258) 7.981 12.515 ( 0.000 -2.772 5.675) 6.315 12.538 ( 0.000 3.805 5.802) 6.938 12.631 ( 0.000 -16.618 -13.938) 21.689 12.952 ( 0.000 -2.159 1.167) 2.454 13.033 ( 0.000 -3.664 -1.466) 3.946 13.230 ( 0.000 -15.474 8.609) 17.707 13.437 ( 0.000 -12.831 -3.725) 13.360 13.438 ( 0.000 -7.370 -5.202) 9.021 13.492 ( 0.000 -5.832 -4.356) 7.279 15.853 ( 0.000 -5.938 -1.927) 6.243 15.966 ( 0.000 -0.710 -5.572) 5.617 16.203 ( 0.000 -4.675 8.340) 9.561 16.518 ( 0.000 -9.581 -6.187) 11.405 16.670 ( 0.000 -13.995 2.618) 14.238 16.796 ( 0.000 -20.850 -0.081) 20.850 16.850 ( 0.000 -15.632 4.960) 16.400 17.008 ( 0.000 -18.449 -1.044) 18.479 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.878 17.048 2.677) 18.231 2.458 ( 2.933 15.070 -0.767) 15.372 2.797 ( -1.644 11.519 -0.481) 11.646 2.936 ( -1.112 6.037 3.268) 6.954 2.977 ( -1.022 2.116 -2.070) 3.132 3.106 ( -0.590 3.913 -2.375) 4.616 3.190 ( 3.304 8.134 -9.706) 13.088 3.306 ( 8.442 -1.264 -2.644) 8.936 3.539 ( -1.590 13.650 1.412) 13.814 3.619 ( -0.956 15.779 -1.518) 15.880 3.821 ( 4.399 4.759 -0.510) 6.501 3.962 ( -4.283 10.718 9.520) 14.961 4.100 ( -7.273 10.460 3.283) 13.157 4.194 ( 0.071 11.019 -5.256) 12.209 4.272 ( -1.797 15.133 -1.999) 15.370 4.333 ( -1.757 5.037 3.197) 6.219 4.369 ( -1.654 20.528 -0.800) 20.611 4.480 ( -0.602 19.091 2.935) 19.325 4.632 ( -7.199 10.575 -5.334) 13.860 4.810 ( 3.559 4.573 0.702) 5.837 4.937 ( 8.198 -0.648 0.214) 8.226 5.019 ( 3.153 8.494 1.335) 9.159 5.287 ( 0.151 5.260 10.119) 11.406 5.335 ( 0.518 4.154 7.349) 8.458 5.529 ( 0.748 27.802 8.677) 29.134 5.617 ( -5.797 7.708 3.746) 10.347 5.853 ( -6.641 7.858 -3.664) 10.922 5.903 ( -5.947 6.506 0.674) 8.840 5.998 ( 3.260 17.865 -9.148) 20.334 6.174 ( -6.116 28.949 -3.893) 29.843 6.227 ( -0.937 13.029 -12.094) 17.801 6.284 ( -2.108 19.440 -7.172) 20.827 6.475 ( 7.953 16.145 1.090) 18.030 6.595 ( 8.223 0.395 2.804) 8.697 6.755 ( -0.302 15.224 -4.394) 15.848 6.773 ( 3.242 15.946 -6.134) 17.390 6.955 ( -1.478 5.091 5.478) 7.623 7.136 ( -0.175 11.219 -0.365) 11.226 7.202 ( 0.052 20.852 7.197) 22.059 7.282 ( -1.999 15.838 1.294) 16.016 8.143 ( 6.651 -4.439 4.867) 9.361 8.312 ( 0.404 -4.011 5.664) 6.952 8.384 ( 9.076 -7.600 -3.852) 12.449 8.548 ( 0.521 -7.826 -1.589) 8.002 8.777 ( -2.010 0.076 -1.528) 2.526 8.798 ( 3.355 0.782 -1.393) 3.716 9.048 ( -1.913 0.308 -0.072) 1.939 9.096 ( -6.490 -2.328 -1.669) 7.094 9.690 ( 2.575 -0.225 2.298) 3.458 9.787 ( 3.315 1.343 4.201) 5.517 9.876 ( 2.421 2.080 -0.213) 3.199 9.914 ( 0.398 0.588 0.839) 1.099 10.101 ( -0.466 -4.935 -5.925) 7.725 10.218 ( -2.294 -1.233 -0.631) 2.680 10.273 ( 4.018 8.906 -0.702) 9.796 10.384 ( 9.383 4.181 -0.063) 10.272 10.542 ( 1.735 9.223 -4.799) 10.540 10.745 ( -0.419 10.666 -4.191) 11.467 10.913 ( -7.466 5.186 2.917) 9.547 11.050 ( -8.888 6.550 -0.623) 11.059 11.329 ( -0.760 5.285 8.470) 10.012 11.382 ( 3.559 11.272 0.737) 11.844 11.560 ( -5.615 -0.843 0.692) 5.720 11.625 ( -9.367 2.555 2.491) 10.023 11.970 ( -1.058 0.171 1.602) 1.927 12.118 ( 3.316 4.258 -4.472) 7.009 12.202 ( 2.876 -4.658 4.079) 6.827 12.557 ( 1.790 -1.665 1.294) 2.766 12.578 ( -0.064 -2.875 2.460) 3.784 12.632 ( 0.638 0.564 -4.688) 4.765 12.908 ( -0.668 -8.307 2.596) 8.728 12.999 ( -0.786 -9.469 0.273) 9.505 13.241 ( -0.752 -14.474 4.319) 15.124 13.380 ( -5.562 -14.396 -2.531) 15.640 13.432 ( -0.446 -6.668 -5.340) 8.554 13.476 ( -1.235 -3.821 -4.918) 6.349 15.887 ( 3.044 -5.964 -2.058) 7.005 15.976 ( 0.772 -2.525 -4.494) 5.212 16.261 ( 5.363 -4.019 6.580) 9.391 16.511 ( -0.495 -9.863 -4.727) 10.949 16.664 ( -0.557 -14.256 3.093) 14.598 16.799 ( -3.954 -16.729 7.138) 18.613 16.826 ( 1.856 -18.218 -2.973) 18.552 16.983 ( -2.310 -18.010 -1.440) 18.215 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 6.293 12.799 0.988) 14.297 2.539 ( 4.331 11.946 0.777) 12.731 2.737 ( -1.904 10.965 -1.606) 11.245 2.850 ( -10.259 7.104 -2.993) 12.832 2.981 ( 5.122 7.841 2.232) 9.628 3.086 ( -3.674 6.091 3.102) 7.760 3.292 ( 8.156 5.103 -9.655) 13.630 3.410 ( -0.299 -0.145 -4.001) 4.015 3.622 ( 7.882 12.837 -0.767) 15.084 3.651 ( 3.154 10.568 -1.507) 11.131 3.792 ( -6.716 4.908 8.129) 11.631 3.863 ( -6.391 8.660 1.072) 10.816 4.011 ( 2.781 7.795 0.464) 8.289 4.145 ( -5.654 8.657 1.379) 10.432 4.220 ( 0.066 16.162 3.178) 16.471 4.273 ( -3.854 16.395 3.248) 17.152 4.432 ( 3.458 16.060 -6.810) 17.784 4.504 ( -4.593 15.897 -4.663) 17.192 4.539 ( 7.662 11.395 -2.864) 14.027 4.721 ( -8.463 7.439 -6.952) 13.240 5.100 ( 5.474 6.543 8.440) 12.000 5.192 ( 6.047 1.352 10.529) 12.217 5.244 ( 2.832 6.800 9.042) 11.663 5.375 ( 2.442 0.546 3.097) 3.981 5.452 ( -4.897 -2.123 5.687) 7.800 5.502 ( -10.272 9.636 1.045) 14.123 5.771 ( 2.012 25.139 3.119) 25.412 5.834 ( -2.565 15.601 1.276) 15.862 6.046 ( 0.755 17.855 -9.557) 20.266 6.069 ( -3.251 28.216 -7.272) 29.319 6.202 ( -0.318 22.391 -10.458) 24.715 6.232 ( -2.442 25.515 -5.389) 26.192 6.623 ( 6.387 15.972 -1.598) 17.276 6.718 ( -2.711 15.266 -4.722) 16.208 6.768 ( 6.476 0.251 2.026) 6.790 6.838 ( 0.690 3.641 -0.587) 3.752 6.955 ( 3.511 12.552 1.172) 13.086 7.075 ( -5.833 8.047 -0.810) 9.971 7.215 ( 1.103 19.337 5.302) 20.081 7.243 ( -1.684 18.619 3.432) 19.007 8.269 ( 4.464 -5.108 6.041) 9.084 8.313 ( -0.595 -3.997 5.880) 7.135 8.555 ( 5.236 -7.091 -2.948) 9.295 8.616 ( 5.475 -7.439 -4.250) 10.167 8.711 ( -0.418 -0.423 1.917) 2.007 8.879 ( -5.134 -2.222 -4.816) 7.382 8.936 ( -0.207 -0.069 0.676) 0.710 9.008 ( -2.593 1.799 -2.597) 4.087 9.781 ( 4.969 0.110 1.166) 5.105 9.829 ( 0.594 1.085 0.908) 1.534 9.900 ( 1.264 2.640 -1.499) 3.288 9.939 ( -0.556 3.001 0.964) 3.201 10.092 ( 0.869 -4.773 -1.074) 4.968 10.153 ( -4.076 -0.963 0.480) 4.216 10.408 ( 8.763 7.285 1.836) 11.542 10.503 ( 0.309 7.967 4.888) 9.352 10.631 ( 4.703 3.542 -4.696) 7.531 10.716 ( -2.809 7.856 -2.445) 8.694 10.791 ( -0.744 2.359 -2.900) 3.812 10.898 ( -6.305 4.956 -4.333) 9.116 11.248 ( -2.584 0.865 8.383) 8.815 11.344 ( -9.198 2.116 2.423) 9.744 11.502 ( 0.274 6.233 0.434) 6.254 11.513 ( -0.100 4.608 -0.693) 4.661 12.031 ( 7.235 2.774 2.065) 8.019 12.155 ( -1.127 4.294 -2.931) 5.320 12.257 ( 2.426 0.664 1.590) 2.975 12.374 ( -11.336 0.216 -1.300) 11.412 12.632 ( 2.845 3.534 3.876) 5.967 12.666 ( -0.031 7.179 3.357) 7.925 12.997 ( 6.866 -18.038 1.237) 19.340 13.038 ( 4.018 -15.487 0.588) 16.010 13.181 ( -4.067 -13.309 0.479) 13.924 13.235 ( -7.898 -13.290 -1.609) 15.543 13.431 ( 0.464 -5.235 -5.135) 7.348 13.450 ( -1.264 -4.183 -5.021) 6.656 15.952 ( 2.815 -5.888 -2.533) 7.001 15.984 ( -0.345 -4.915 -3.295) 5.927 16.390 ( 6.717 -4.378 3.500) 8.748 16.490 ( -2.498 -7.745 -1.225) 8.229 16.656 ( 0.248 -14.992 4.090) 15.542 16.701 ( -4.410 -16.196 5.504) 17.665 16.875 ( 2.544 -17.679 -2.665) 18.059 16.928 ( -2.826 -17.406 -2.259) 17.778 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 13.511 0.911) 13.542 2.695 ( 0.000 10.709 -2.629) 11.027 2.988 ( 0.000 6.448 3.718) 7.443 3.012 ( 0.000 0.461 -2.522) 2.564 3.041 ( 0.000 4.336 -0.059) 4.337 3.150 ( 0.000 0.095 -0.473) 0.483 3.164 ( 0.000 0.644 -0.689) 0.943 3.335 ( 0.000 4.542 -9.726) 10.734 3.876 ( 0.000 11.553 8.439) 14.307 3.877 ( 0.000 11.661 -3.113) 12.069 3.948 ( 0.000 10.833 4.752) 11.829 4.157 ( 0.000 9.825 -3.021) 10.279 4.297 ( 0.000 5.886 -8.058) 9.979 4.377 ( 0.000 4.682 6.598) 8.090 4.492 ( 0.000 8.250 8.319) 11.716 4.582 ( 0.000 4.648 -3.976) 6.116 4.626 ( 0.000 3.052 7.682) 8.266 4.730 ( 0.000 6.162 0.778) 6.211 4.800 ( 0.000 10.361 -2.794) 10.731 4.899 ( 0.000 4.696 -3.278) 5.727 4.954 ( 0.000 13.399 -2.003) 13.548 5.130 ( 0.000 1.843 -8.934) 9.123 5.285 ( 0.000 1.891 11.659) 11.812 5.416 ( 0.000 6.164 8.180) 10.243 5.601 ( 0.000 -2.830 7.522) 8.037 5.869 ( 0.000 -9.000 -0.946) 9.050 5.936 ( 0.000 0.276 -5.314) 5.321 6.051 ( 0.000 -7.402 -16.469) 18.056 6.197 ( 0.000 9.309 3.619) 9.988 6.380 ( 0.000 1.549 -2.821) 3.219 6.481 ( 0.000 10.391 4.211) 11.211 6.605 ( 0.000 5.246 -1.112) 5.362 6.710 ( 0.000 18.790 -4.155) 19.244 6.801 ( 0.000 16.854 -3.523) 17.218 6.998 ( 0.000 19.366 2.813) 19.569 7.028 ( 0.000 22.570 2.157) 22.673 7.414 ( 0.000 29.355 -1.595) 29.398 7.525 ( 0.000 23.258 -4.347) 23.661 7.669 ( 0.000 22.137 5.957) 22.925 7.732 ( 0.000 21.723 2.993) 21.929 8.057 ( 0.000 3.174 1.127) 3.368 8.196 ( 0.000 -2.210 -4.565) 5.072 8.277 ( 0.000 2.274 4.133) 4.717 8.373 ( 0.000 -4.998 1.366) 5.182 8.804 ( 0.000 2.692 -0.528) 2.743 8.830 ( 0.000 1.475 -1.760) 2.296 9.025 ( 0.000 -3.475 1.938) 3.979 9.097 ( 0.000 -3.960 -0.704) 4.023 9.686 ( 0.000 1.173 4.851) 4.991 9.719 ( 0.000 0.638 5.911) 5.945 9.858 ( 0.000 -4.645 0.697) 4.697 9.968 ( 0.000 -7.010 -4.824) 8.510 9.977 ( 0.000 7.684 -6.479) 10.051 10.060 ( 0.000 -9.355 -3.796) 10.095 10.392 ( 0.000 6.130 -0.446) 6.147 10.480 ( 0.000 11.404 -6.819) 13.288 10.672 ( 0.000 3.462 2.689) 4.383 10.969 ( 0.000 10.765 -5.540) 12.106 11.094 ( 0.000 0.654 6.189) 6.224 11.316 ( 0.000 3.881 -3.614) 5.303 11.427 ( 0.000 6.479 9.816) 11.761 11.544 ( 0.000 6.509 -0.576) 6.535 11.586 ( 0.000 -1.114 9.562) 9.626 11.810 ( 0.000 5.043 2.963) 5.849 11.949 ( 0.000 -12.893 -0.724) 12.913 11.993 ( 0.000 -8.382 -2.303) 8.692 12.134 ( 0.000 4.359 -2.093) 4.835 12.264 ( 0.000 -9.815 -6.301) 11.663 12.476 ( 0.000 -0.635 6.196) 6.229 12.527 ( 0.000 -12.023 6.678) 13.753 12.958 ( 0.000 -5.607 -3.536) 6.629 12.959 ( 0.000 4.155 -2.550) 4.875 13.064 ( 0.000 -0.970 0.598) 1.140 13.106 ( 0.000 -13.721 -0.260) 13.724 13.303 ( 0.000 -6.830 -1.812) 7.066 13.484 ( 0.000 -0.206 -6.380) 6.383 15.746 ( 0.000 -4.479 0.372) 4.494 15.955 ( 0.000 -0.542 -8.399) 8.416 16.103 ( 0.000 -5.381 6.229) 8.232 16.319 ( 0.000 -10.280 -0.980) 10.326 16.407 ( 0.000 -17.674 -0.367) 17.678 16.412 ( 0.000 -12.101 0.147) 12.102 16.595 ( 0.000 -10.588 4.545) 11.522 16.707 ( 0.000 -12.005 -0.382) 12.011 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 3.669 12.391 -0.089) 12.923 2.703 ( 0.984 9.878 -2.272) 10.183 2.956 ( -2.676 4.606 -1.758) 5.610 3.020 ( -1.383 2.732 -1.711) 3.508 3.032 ( 1.235 3.849 3.540) 5.373 3.151 ( 2.052 1.473 2.765) 3.745 3.270 ( 6.275 -1.725 -1.814) 6.756 3.325 ( -0.190 4.104 -10.086) 10.890 3.811 ( -1.982 12.447 5.873) 13.905 3.877 ( -1.717 7.806 0.469) 8.007 3.974 ( 3.707 13.036 1.618) 13.649 4.147 ( -8.162 9.095 1.666) 12.333 4.279 ( -2.280 9.186 2.811) 9.874 4.310 ( 0.396 5.022 -7.758) 9.250 4.474 ( -1.858 5.876 7.401) 9.631 4.530 ( -2.825 9.530 0.868) 9.978 4.643 ( -2.304 3.431 -5.318) 6.735 4.774 ( 0.775 10.641 1.640) 10.794 4.833 ( 5.782 6.049 -0.518) 8.384 4.907 ( 4.175 8.096 2.658) 9.489 4.982 ( 0.629 8.119 -1.496) 8.280 5.147 ( 1.318 3.792 -5.386) 6.717 5.297 ( 1.759 0.274 9.317) 9.485 5.401 ( -1.761 5.783 8.844) 10.712 5.523 ( -6.686 -1.909 5.906) 9.123 5.736 ( -10.771 -6.577 -0.236) 12.622 5.926 ( 0.013 0.409 -7.326) 7.338 6.068 ( 0.415 -4.288 -14.722) 15.339 6.291 ( 6.211 7.395 2.092) 9.881 6.434 ( 2.771 2.700 -0.067) 3.870 6.442 ( 0.505 5.135 1.314) 5.324 6.625 ( -0.824 1.839 -5.165) 5.544 6.737 ( 4.337 20.735 0.793) 21.199 6.847 ( 3.338 15.995 -2.736) 16.567 6.960 ( -2.736 22.953 2.914) 23.298 7.022 ( -1.382 20.331 1.205) 20.414 7.434 ( 1.873 29.384 -1.635) 29.489 7.526 ( -0.043 24.453 -3.807) 24.747 7.671 ( 0.106 22.808 5.465) 23.454 7.717 ( -1.261 21.946 3.310) 22.230 8.109 ( 4.675 1.586 1.826) 5.263 8.263 ( 4.377 -2.458 -2.078) 5.433 8.297 ( 3.236 0.964 1.715) 3.787 8.424 ( 4.490 -3.554 0.597) 5.757 8.794 ( -3.259 1.755 -0.115) 3.703 8.829 ( 2.950 2.337 -0.894) 3.868 9.026 ( 0.220 -2.274 0.087) 2.286 9.048 ( -5.351 -2.120 -0.664) 5.794 9.695 ( 1.741 1.472 4.210) 4.787 9.775 ( 4.077 -1.443 6.075) 7.457 9.865 ( 1.880 -4.255 0.512) 4.680 9.947 ( -2.191 4.738 -5.623) 7.672 9.978 ( 0.242 -6.373 -5.233) 8.250 10.088 ( 2.213 -8.444 -1.831) 8.919 10.434 ( 3.798 7.487 -0.735) 8.428 10.555 ( 6.421 6.816 -9.056) 13.027 10.635 ( -2.938 2.921 5.876) 7.190 10.897 ( -9.072 1.564 -0.416) 9.215 11.012 ( -3.843 7.694 -0.178) 8.603 11.165 ( -9.596 4.586 -3.313) 11.139 11.449 ( -5.702 6.326 13.294) 15.788 11.523 ( 0.457 3.154 -0.347) 3.206 11.574 ( -0.651 1.874 0.326) 2.011 11.717 ( -7.724 6.170 1.294) 9.970 11.945 ( 2.634 -5.868 3.077) 7.130 12.074 ( 5.429 -7.335 2.025) 9.348 12.203 ( 5.147 -0.443 -5.726) 7.712 12.292 ( 1.994 -9.592 -3.455) 10.388 12.506 ( 5.102 -8.895 6.784) 12.295 12.633 ( 7.060 -3.429 4.632) 9.113 12.859 ( -7.897 -0.162 -0.084) 7.899 12.930 ( -2.925 3.955 -2.249) 5.409 13.037 ( -3.085 -9.612 -0.754) 10.123 13.064 ( -4.144 -8.901 -0.604) 9.837 13.308 ( 0.797 -6.958 -3.192) 7.696 13.460 ( -2.358 -1.021 -6.446) 6.939 15.780 ( 3.073 -4.486 -0.583) 5.468 15.929 ( -1.639 -2.170 -5.884) 6.482 16.165 ( 4.751 -5.835 3.541) 8.316 16.305 ( -1.120 -9.967 -0.907) 10.071 16.363 ( -0.584 -15.762 2.662) 15.995 16.496 ( 4.368 -13.584 -2.214) 14.440 16.562 ( -3.122 -9.390 4.966) 11.071 16.689 ( -1.729 -11.712 -0.548) 11.852 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.050 8.763 -1.799) 9.178 2.740 ( 1.916 8.617 -1.170) 8.905 2.909 ( -0.498 6.641 -2.680) 7.179 2.961 ( -4.256 4.607 -2.758) 6.851 3.086 ( 3.765 3.195 4.201) 6.483 3.155 ( -2.310 1.268 3.515) 4.393 3.360 ( 3.747 1.091 -5.535) 6.773 3.378 ( 2.842 -1.987 -3.696) 5.068 3.825 ( -0.682 5.633 4.349) 7.149 3.851 ( 1.181 10.879 -0.223) 10.946 3.974 ( -2.132 10.971 0.852) 11.209 4.089 ( 3.151 16.340 1.852) 16.744 4.149 ( -6.671 7.017 -2.958) 10.124 4.255 ( -5.500 6.460 0.140) 8.485 4.462 ( 1.781 7.517 4.237) 8.811 4.516 ( -1.878 7.046 7.198) 10.246 4.675 ( 4.609 7.073 -8.676) 12.106 4.743 ( -2.177 11.588 -3.128) 12.198 4.866 ( 1.480 15.256 -2.336) 15.504 4.938 ( -4.382 11.423 -3.214) 12.650 5.127 ( 11.389 -2.100 4.552) 12.443 5.206 ( 4.905 2.220 6.287) 8.277 5.327 ( -4.965 2.278 9.408) 10.879 5.347 ( 1.572 1.746 7.622) 7.975 5.401 ( -3.552 -0.345 2.463) 4.336 5.498 ( -11.464 -3.166 -0.776) 11.919 5.960 ( 3.339 0.626 -9.745) 10.320 6.037 ( -3.389 -0.408 -12.351) 12.814 6.383 ( 2.965 6.759 1.770) 7.590 6.421 ( -0.956 4.723 1.967) 5.205 6.546 ( 4.802 -2.941 -3.617) 6.693 6.604 ( -1.212 -0.676 -5.217) 5.399 6.829 ( 4.080 19.903 2.336) 20.451 6.894 ( -1.525 23.483 -0.169) 23.533 6.920 ( 1.478 17.422 1.507) 17.549 6.974 ( -2.941 19.993 0.101) 20.209 7.479 ( 2.402 29.161 -1.594) 29.303 7.517 ( -1.092 27.415 -2.474) 27.548 7.674 ( 0.323 22.899 4.387) 23.317 7.689 ( -1.262 22.377 3.833) 22.738 8.211 ( 4.685 -0.101 3.185) 5.666 8.275 ( -1.504 0.505 3.933) 4.241 8.435 ( 7.075 -4.244 -4.182) 9.249 8.507 ( 1.557 -3.484 -2.889) 4.786 8.745 ( 1.051 3.937 2.763) 4.923 8.870 ( -7.150 1.977 -1.106) 7.500 8.942 ( 3.304 0.460 0.108) 3.338 9.017 ( -1.989 -0.567 -1.907) 2.814 9.764 ( 4.027 -1.018 2.546) 4.872 9.809 ( -0.183 -2.235 2.519) 3.373 9.922 ( 0.765 0.076 -2.919) 3.018 9.947 ( 1.272 -1.630 -0.097) 2.070 9.989 ( 3.533 -5.414 -2.029) 6.776 10.089 ( -3.166 -5.020 0.717) 5.979 10.508 ( 1.780 0.275 -0.228) 1.816 10.552 ( -2.991 -3.185 0.496) 4.397 10.673 ( 3.109 2.315 1.772) 4.262 10.821 ( 1.845 1.535 -5.470) 5.973 10.876 ( -4.336 10.124 -0.834) 11.045 11.027 ( -6.155 7.903 -7.239) 12.359 11.335 ( -2.398 6.623 9.821) 12.086 11.406 ( -8.529 4.603 5.210) 11.003 11.596 ( 1.355 3.124 -2.139) 4.021 11.621 ( -1.759 4.801 -2.188) 5.561 12.058 ( 8.178 -2.041 3.263) 9.039 12.191 ( 1.450 -4.694 3.814) 6.220 12.228 ( 0.565 -2.889 -1.921) 3.515 12.305 ( -2.581 -7.323 1.496) 7.908 12.644 ( 7.230 -6.737 3.227) 10.396 12.736 ( -2.684 -2.875 1.428) 4.184 12.770 ( 5.558 0.241 2.846) 6.249 12.856 ( -3.797 2.536 -0.550) 4.599 12.951 ( -4.324 -11.990 -1.234) 12.806 12.959 ( -5.019 -7.190 -1.453) 8.888 13.341 ( 2.420 -5.467 -5.085) 7.849 13.400 ( -3.287 -3.052 -6.136) 7.601 15.848 ( 3.187 -4.401 -2.616) 6.031 15.898 ( -1.796 -3.708 -4.334) 5.979 16.246 ( 2.796 -10.873 1.733) 11.360 16.283 ( -1.216 -12.383 0.628) 12.459 16.391 ( 3.367 -9.770 3.882) 11.039 16.477 ( -4.654 -8.318 4.110) 10.380 16.579 ( 3.530 -11.796 -1.480) 12.401 16.643 ( -2.811 -11.452 -1.088) 11.842 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.000 9.515 -0.298) 9.520 2.857 ( 0.000 6.092 -0.588) 6.120 3.014 ( 0.000 -0.310 -1.281) 1.318 3.075 ( 0.000 0.744 -2.722) 2.822 3.113 ( 0.000 5.087 0.958) 5.176 3.154 ( 0.000 0.364 -0.219) 0.425 3.187 ( 0.000 1.260 1.301) 1.811 3.355 ( 0.000 -1.427 -6.050) 6.216 4.062 ( 0.000 7.400 8.237) 11.073 4.065 ( 0.000 8.609 -1.685) 8.772 4.157 ( 0.000 7.838 5.186) 9.399 4.287 ( 0.000 3.231 -0.966) 3.373 4.412 ( 0.000 4.531 -2.429) 5.141 4.496 ( 0.000 7.812 7.078) 10.541 4.584 ( 0.000 -2.348 0.158) 2.354 4.606 ( 0.000 -1.703 -5.447) 5.707 4.637 ( 0.000 6.206 0.716) 6.247 4.770 ( 0.000 -7.549 -2.784) 8.046 4.896 ( 0.000 7.472 4.330) 8.636 5.016 ( 0.000 2.541 -3.725) 4.509 5.201 ( 0.000 7.026 -0.726) 7.063 5.211 ( 0.000 12.517 -4.169) 13.193 5.352 ( 0.000 4.003 7.396) 8.410 5.588 ( 0.000 10.201 7.391) 12.597 5.618 ( 0.000 2.966 1.620) 3.379 5.690 ( 0.000 -7.876 -0.917) 7.929 5.852 ( 0.000 -11.663 -11.199) 16.169 5.942 ( 0.000 1.369 -6.568) 6.709 6.160 ( 0.000 -5.648 3.398) 6.591 6.310 ( 0.000 -6.623 -1.781) 6.858 6.508 ( 0.000 -4.858 1.573) 5.106 6.537 ( 0.000 -6.503 1.281) 6.628 7.185 ( 0.000 21.458 0.769) 21.471 7.202 ( 0.000 19.164 0.002) 19.164 7.349 ( 0.000 12.838 3.259) 13.245 7.434 ( 0.000 15.719 -0.387) 15.724 7.888 ( 0.000 17.772 -3.567) 18.127 7.937 ( 0.000 16.578 -3.430) 16.929 7.990 ( 0.000 11.005 -1.001) 11.050 8.025 ( 0.000 7.001 -2.995) 7.614 8.213 ( 0.000 11.359 1.437) 11.449 8.246 ( 0.000 9.201 -0.125) 9.202 8.371 ( 0.000 3.706 3.682) 5.225 8.390 ( 0.000 7.789 3.626) 8.592 8.852 ( 0.000 0.569 -0.515) 0.768 8.854 ( 0.000 1.705 -1.245) 2.112 8.961 ( 0.000 -2.439 2.004) 3.157 9.019 ( 0.000 -3.573 -0.342) 3.589 9.696 ( 0.000 0.222 2.170) 2.182 9.741 ( 0.000 -2.285 1.047) 2.513 9.830 ( 0.000 -6.670 -3.144) 7.374 9.846 ( 0.000 7.672 6.971) 10.366 9.899 ( 0.000 -6.268 -3.816) 7.338 10.174 ( 0.000 11.670 -6.641) 13.428 10.516 ( 0.000 6.932 1.109) 7.020 10.554 ( 0.000 -4.738 -1.109) 4.866 10.780 ( 0.000 8.365 2.993) 8.884 11.047 ( 0.000 -3.798 7.151) 8.097 11.142 ( 0.000 5.024 -8.829) 10.158 11.305 ( 0.000 -6.494 -5.400) 8.446 11.463 ( 0.000 -1.467 1.714) 2.257 11.554 ( 0.000 -16.468 0.046) 16.468 11.614 ( 0.000 0.693 0.649) 0.950 11.658 ( 0.000 6.729 14.661) 16.131 11.838 ( 0.000 -6.884 -5.003) 8.510 11.962 ( 0.000 6.832 2.685) 7.341 12.148 ( 0.000 -8.583 8.224) 11.887 12.200 ( 0.000 1.763 -2.276) 2.879 12.305 ( 0.000 -4.120 -1.639) 4.434 12.506 ( 0.000 2.737 -0.235) 2.747 12.708 ( 0.000 -13.264 -0.700) 13.282 12.991 ( 0.000 -4.604 -9.417) 10.482 13.050 ( 0.000 2.691 1.634) 3.148 13.111 ( 0.000 5.450 -0.861) 5.518 13.207 ( 0.000 -1.885 3.817) 4.257 13.449 ( 0.000 -3.489 -5.522) 6.532 15.694 ( 0.000 -0.522 0.770) 0.931 15.938 ( 0.000 -1.715 -10.162) 10.305 16.003 ( 0.000 -4.302 4.047) 5.906 16.087 ( 0.000 -11.902 1.267) 11.970 16.169 ( 0.000 -7.010 -1.110) 7.097 16.208 ( 0.000 -8.295 -2.475) 8.656 16.432 ( 0.000 -5.847 6.556) 8.784 16.524 ( 0.000 -7.147 1.534) 7.310 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.130 5.892 -0.666) 5.930 2.869 ( 1.351 8.242 -1.137) 8.429 3.003 ( -0.739 0.879 -1.928) 2.244 3.054 ( -1.438 0.539 -2.008) 2.528 3.111 ( 0.329 3.817 2.249) 4.442 3.180 ( 0.971 1.614 1.885) 2.665 3.239 ( 4.436 -1.285 -1.617) 4.893 3.349 ( -0.359 -1.299 -6.516) 6.654 3.982 ( -3.193 7.680 6.792) 10.738 4.074 ( -1.533 9.670 -0.802) 9.824 4.150 ( 0.125 5.745 5.365) 7.862 4.318 ( -2.851 6.743 -2.501) 7.736 4.434 ( 0.938 5.805 -1.721) 6.127 4.486 ( 2.656 5.570 -0.532) 6.194 4.519 ( 0.021 2.301 7.094) 7.458 4.595 ( -1.143 -1.483 0.020) 1.873 4.638 ( -5.032 1.407 0.029) 5.225 4.843 ( 8.721 -2.279 -3.885) 9.815 4.925 ( 1.190 4.190 4.190) 6.044 5.052 ( 3.356 4.187 -1.242) 5.507 5.195 ( -1.246 7.603 -1.933) 7.943 5.204 ( 0.077 9.428 -5.513) 10.922 5.365 ( 1.750 4.763 6.880) 8.549 5.551 ( -4.902 5.195 2.344) 7.517 5.580 ( -2.878 7.583 5.759) 9.947 5.606 ( -6.851 -3.950 -1.012) 7.972 5.855 ( 0.824 -8.831 -10.448) 13.705 5.966 ( 1.548 -1.740 -8.552) 8.863 6.215 ( 4.371 -7.456 3.577) 9.353 6.335 ( 2.124 -7.610 -1.127) 7.981 6.470 ( -2.799 -3.770 3.120) 5.637 6.519 ( -2.042 -7.608 0.947) 7.934 7.208 ( 2.405 20.092 0.966) 20.258 7.236 ( 2.776 18.744 0.187) 18.950 7.345 ( -0.450 14.008 2.230) 14.192 7.420 ( -1.397 15.991 -0.375) 16.056 7.906 ( 1.615 17.430 -3.061) 17.770 7.952 ( 1.467 16.817 -2.710) 17.097 8.018 ( 2.084 12.131 -0.837) 12.337 8.040 ( 0.607 9.820 -1.606) 9.969 8.229 ( 1.661 10.184 1.367) 10.409 8.278 ( 3.685 5.832 -1.583) 7.078 8.379 ( -0.029 5.730 3.796) 6.873 8.436 ( 4.310 4.113 2.183) 6.345 8.838 ( -1.056 2.178 0.616) 2.498 8.880 ( 2.746 2.421 -1.071) 3.814 8.979 ( 1.819 -1.883 0.997) 2.802 9.015 ( -1.113 -1.284 -0.451) 1.758 9.736 ( 2.724 0.510 3.435) 4.413 9.762 ( 2.776 -2.715 1.123) 4.042 9.798 ( -2.389 2.886 3.681) 5.252 9.860 ( 1.330 -4.777 -2.190) 5.420 9.932 ( 3.150 -6.557 -1.802) 7.494 10.074 ( -7.533 7.757 -5.201) 11.998 10.482 ( -6.826 -8.110 1.990) 10.785 10.596 ( 4.875 8.161 -0.770) 9.537 10.746 ( -7.230 -0.543 1.831) 7.478 10.887 ( -4.096 3.584 -0.637) 5.480 11.181 ( -2.412 7.796 -2.830) 8.638 11.239 ( -1.814 2.726 -5.425) 6.336 11.475 ( -1.785 -4.651 2.785) 5.708 11.557 ( -2.241 -6.364 -3.093) 7.422 11.608 ( 1.197 4.473 6.190) 7.730 11.739 ( 7.177 -4.623 6.145) 10.518 11.812 ( -7.095 -1.420 -0.553) 7.257 11.931 ( 3.477 -3.585 1.403) 5.188 12.092 ( -1.311 -5.845 3.624) 7.001 12.231 ( -2.829 -7.616 4.080) 9.092 12.379 ( 9.843 2.621 -1.439) 10.287 12.634 ( 8.593 -1.085 -2.946) 9.149 12.696 ( 0.050 -8.032 1.379) 8.149 12.955 ( -5.598 1.840 -1.688) 6.130 13.024 ( -2.423 0.213 -2.604) 3.563 13.065 ( -3.842 4.956 -1.658) 6.486 13.172 ( -1.513 -5.462 1.861) 5.965 13.410 ( -3.713 -4.044 -5.888) 8.050 15.724 ( 2.720 -0.997 -0.387) 2.923 15.889 ( -2.648 -2.009 -6.000) 6.859 16.038 ( 0.582 -6.451 0.264) 6.483 16.073 ( -1.626 -11.895 0.257) 12.008 16.171 ( 3.315 -4.609 0.796) 5.733 16.278 ( 4.450 -8.481 -2.365) 9.866 16.420 ( -1.194 -5.220 6.346) 8.303 16.511 ( -1.389 -6.972 1.419) 7.249 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 0.849 5.362 -1.197) 5.560 2.880 ( -0.376 5.602 -1.694) 5.864 3.004 ( 0.853 2.838 -1.757) 3.445 3.027 ( -1.300 1.594 -1.244) 2.404 3.128 ( 1.616 1.907 1.820) 3.092 3.170 ( -1.953 1.114 0.791) 2.384 3.323 ( 3.238 -2.678 -2.545) 4.913 3.352 ( 0.191 -2.443 -5.062) 5.624 3.953 ( 0.857 7.486 5.935) 9.591 4.024 ( -4.903 7.246 2.331) 9.054 4.165 ( 4.279 8.815 1.910) 9.983 4.265 ( -3.065 5.875 -1.921) 6.899 4.426 ( -1.265 5.705 2.059) 6.196 4.435 ( -3.342 12.749 -0.926) 13.212 4.529 ( 0.707 3.704 2.556) 4.555 4.568 ( -2.630 0.875 3.727) 4.644 4.717 ( 9.667 -1.470 1.438) 9.884 4.868 ( -4.692 0.162 0.736) 4.753 5.044 ( 7.124 2.907 -1.075) 7.770 5.108 ( -0.222 10.311 -3.403) 10.861 5.189 ( 2.851 4.913 -2.632) 6.261 5.216 ( 1.014 0.166 -2.297) 2.516 5.408 ( -0.885 3.061 3.463) 4.706 5.427 ( -6.315 4.136 -0.333) 7.556 5.458 ( -1.659 4.474 2.882) 5.574 5.521 ( -4.018 9.373 5.276) 11.481 5.899 ( 3.371 -6.448 -10.463) 12.744 5.964 ( -2.195 -4.631 -10.812) 11.965 6.304 ( 4.242 -7.931 3.717) 9.732 6.365 ( -0.654 -8.108 0.981) 8.193 6.431 ( 0.091 -5.183 3.316) 6.153 6.468 ( -2.613 -8.058 1.548) 8.612 7.267 ( 2.927 17.789 1.414) 18.084 7.295 ( 2.039 16.581 2.097) 16.837 7.330 ( -0.223 17.072 -0.836) 17.094 7.377 ( -2.847 16.974 -0.689) 17.225 7.947 ( 2.274 16.903 -1.670) 17.137 7.978 ( 0.066 17.592 -1.313) 17.641 8.034 ( 0.070 12.705 -0.713) 12.725 8.045 ( -0.159 13.637 -0.433) 13.644 8.283 ( 3.479 7.252 1.640) 8.209 8.342 ( -1.365 6.053 2.167) 6.573 8.407 ( 5.550 1.494 -2.440) 6.244 8.489 ( -0.756 1.444 -1.677) 2.339 8.849 ( 3.215 5.769 2.910) 7.217 8.946 ( -3.032 4.871 0.402) 5.752 8.961 ( 1.992 1.631 0.121) 2.578 9.008 ( -0.110 0.186 -0.514) 0.558 9.768 ( 0.875 -0.937 2.189) 2.537 9.771 ( 0.298 1.268 2.838) 3.123 9.874 ( 6.319 -4.728 2.786) 8.370 9.888 ( 1.879 -4.054 -2.698) 5.219 9.942 ( -4.632 1.579 -2.770) 5.623 9.975 ( -1.101 -5.807 1.707) 6.152 10.358 ( -2.558 -11.543 0.503) 11.833 10.452 ( -11.457 -8.706 -1.327) 14.451 10.767 ( 7.121 7.695 0.715) 10.509 10.887 ( -2.396 5.878 -3.880) 7.439 11.116 ( 0.993 13.207 -1.521) 13.331 11.208 ( -4.192 10.223 -6.503) 12.820 11.431 ( -0.578 0.837 5.055) 5.156 11.476 ( -4.516 -0.849 3.298) 5.657 11.630 ( 1.173 1.870 -2.917) 3.658 11.675 ( -4.003 1.115 -3.947) 5.731 11.910 ( 8.121 -9.757 6.234) 14.142 12.031 ( 0.216 -8.982 9.197) 12.857 12.065 ( 2.017 -10.999 -0.136) 11.183 12.166 ( -4.027 -8.011 3.220) 9.527 12.584 ( 9.585 1.591 0.710) 9.742 12.695 ( 1.287 -2.547 -3.325) 4.382 12.805 ( -3.623 0.835 2.672) 4.579 12.838 ( 6.566 3.901 0.582) 7.659 12.888 ( -8.666 -0.302 -0.211) 8.674 12.983 ( -5.847 5.190 -0.803) 7.859 13.208 ( 4.464 -7.693 -4.580) 10.004 13.313 ( -5.490 -5.543 -6.068) 9.884 15.787 ( 3.173 -1.694 -2.631) 4.457 15.842 ( -2.345 -1.839 -4.552) 5.441 16.033 ( -0.301 -9.736 0.087) 9.741 16.041 ( -1.146 -10.690 -0.302) 10.756 16.267 ( 4.912 -3.867 2.555) 6.753 16.335 ( -0.694 -5.503 1.484) 5.742 16.409 ( 1.780 -6.285 2.555) 7.014 16.467 ( -2.870 -6.880 0.993) 7.520 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 0.000 3.422 0.607) 3.475 2.992 ( 0.000 2.758 -0.998) 2.933 2.999 ( 0.000 0.871 -0.003) 0.871 3.061 ( 0.000 -1.848 -1.848) 2.614 3.168 ( 0.000 1.057 -0.474) 1.159 3.185 ( 0.000 0.080 -0.773) 0.777 3.223 ( 0.000 4.131 -0.690) 4.188 3.303 ( 0.000 -3.569 -3.367) 4.906 4.188 ( 0.000 5.565 6.642) 8.665 4.205 ( 0.000 4.857 1.825) 5.189 4.253 ( 0.000 2.214 4.284) 4.822 4.292 ( 0.000 -2.159 2.902) 3.617 4.459 ( 0.000 1.582 -2.084) 2.616 4.519 ( 0.000 -5.264 -3.338) 6.233 4.547 ( 0.000 -1.236 -5.976) 6.102 4.564 ( 0.000 -2.794 -2.694) 3.881 4.743 ( 0.000 6.264 4.080) 7.476 4.768 ( 0.000 5.318 2.727) 5.976 4.966 ( 0.000 0.168 3.814) 3.817 5.006 ( 0.000 -3.438 0.990) 3.578 5.352 ( 0.000 9.687 -1.604) 9.819 5.441 ( 0.000 9.912 -6.907) 12.081 5.466 ( 0.000 5.907 1.874) 6.197 5.542 ( 0.000 -6.972 -1.272) 7.087 5.613 ( 0.000 -4.113 -5.217) 6.643 5.623 ( 0.000 -9.847 -4.643) 10.887 5.821 ( 0.000 11.353 6.922) 13.297 5.984 ( 0.000 -1.588 0.448) 1.650 6.073 ( 0.000 0.147 0.997) 1.008 6.172 ( 0.000 -6.762 -1.644) 6.959 6.396 ( 0.000 -4.016 1.694) 4.359 6.413 ( 0.000 -5.020 1.215) 5.165 7.450 ( 0.000 6.271 1.780) 6.518 7.469 ( 0.000 5.134 1.593) 5.375 7.523 ( 0.000 8.010 1.137) 8.090 7.605 ( 0.000 1.631 -1.082) 1.957 8.113 ( 0.000 5.682 -3.551) 6.700 8.119 ( 0.000 3.719 -4.970) 6.207 8.140 ( 0.000 3.997 -5.640) 6.913 8.144 ( 0.000 4.397 -4.979) 6.642 8.403 ( 0.000 6.379 3.149) 7.114 8.441 ( 0.000 4.117 6.169) 7.417 8.447 ( 0.000 5.759 0.985) 5.843 8.504 ( 0.000 2.190 3.574) 4.192 8.853 ( 0.000 -0.214 0.004) 0.214 8.856 ( 0.000 -0.668 -0.911) 1.130 8.944 ( 0.000 0.344 1.034) 1.090 8.964 ( 0.000 -1.856 0.080) 1.858 9.686 ( 0.000 -0.195 -0.224) 0.297 9.722 ( 0.000 -3.918 -1.278) 4.121 9.741 ( 0.000 2.247 0.043) 2.247 9.803 ( 0.000 -3.899 -2.392) 4.574 10.062 ( 0.000 12.816 7.950) 15.082 10.298 ( 0.000 -8.027 1.946) 8.260 10.537 ( 0.000 13.509 0.314) 13.513 10.671 ( 0.000 8.573 2.270) 8.869 10.826 ( 0.000 -5.465 1.403) 5.642 10.914 ( 0.000 -21.251 -6.467) 22.213 11.072 ( 0.000 7.639 0.247) 7.643 11.223 ( 0.000 -5.118 -5.335) 7.393 11.420 ( 0.000 0.361 2.412) 2.439 11.440 ( 0.000 -0.745 1.029) 1.270 11.618 ( 0.000 0.568 -2.193) 2.265 11.677 ( 0.000 -4.857 -0.918) 4.943 11.829 ( 0.000 5.910 8.110) 10.035 11.953 ( 0.000 -6.840 10.431) 12.474 12.115 ( 0.000 5.875 2.312) 6.314 12.200 ( 0.000 -1.973 -0.494) 2.034 12.310 ( 0.000 2.490 -4.895) 5.492 12.414 ( 0.000 -8.521 -5.800) 10.308 12.679 ( 0.000 6.976 0.986) 7.045 12.841 ( 0.000 -8.796 -5.173) 10.204 13.121 ( 0.000 3.876 1.946) 4.337 13.182 ( 0.000 -1.955 2.606) 3.258 13.231 ( 0.000 6.399 -1.997) 6.704 13.354 ( 0.000 -5.841 -3.674) 6.901 15.728 ( 0.000 3.951 -1.308) 4.162 15.842 ( 0.000 -7.145 -4.623) 8.510 15.947 ( 0.000 -1.232 1.665) 2.071 15.955 ( 0.000 -2.106 -1.623) 2.659 16.082 ( 0.000 -1.934 -1.438) 2.410 16.094 ( 0.000 -3.200 -3.081) 4.442 16.373 ( 0.000 -0.222 6.167) 6.171 16.414 ( 0.000 -4.069 3.702) 5.501 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -0.075 3.436 0.468) 3.469 2.980 ( -0.930 1.810 -1.067) 2.298 3.006 ( 0.510 0.852 -0.159) 1.006 3.045 ( -1.188 -1.388 -1.220) 2.197 3.177 ( 0.582 2.792 -0.484) 2.893 3.212 ( 1.162 -0.276 -1.118) 1.636 3.228 ( 1.399 1.991 -1.289) 2.754 3.295 ( -0.665 -3.659 -3.960) 5.433 4.139 ( -2.675 7.974 5.688) 10.153 4.214 ( -1.060 3.484 2.419) 4.372 4.258 ( 1.423 5.367 2.909) 6.268 4.347 ( 0.953 -5.186 4.067) 6.659 4.409 ( -4.924 -2.551 -1.804) 5.832 4.427 ( 1.755 -4.357 2.110) 5.149 4.588 ( -0.539 2.025 -1.362) 2.499 4.635 ( 3.059 1.756 -2.441) 4.289 4.741 ( 1.212 5.413 1.993) 5.894 4.836 ( 6.470 -0.729 -0.957) 6.581 4.948 ( -0.274 4.001 2.164) 4.557 5.075 ( 4.681 -3.896 -1.106) 6.190 5.340 ( -2.016 8.304 -3.132) 9.101 5.415 ( -2.474 10.185 -6.859) 12.526 5.454 ( -1.517 0.799 0.815) 1.898 5.522 ( -0.137 -0.414 0.617) 0.756 5.573 ( -3.511 -3.013 -5.454) 7.152 5.652 ( 2.653 -9.389 -4.096) 10.582 5.803 ( -2.079 10.664 6.991) 12.920 5.958 ( -2.864 -2.828 0.146) 4.027 6.110 ( 3.623 -0.569 1.588) 3.997 6.191 ( 1.898 -6.445 -0.950) 6.786 6.372 ( -2.104 -3.922 1.595) 4.728 6.386 ( -2.492 -4.813 1.289) 5.571 7.468 ( 1.731 6.466 1.986) 6.982 7.492 ( 1.794 5.229 0.904) 5.601 7.525 ( 0.204 7.208 1.370) 7.340 7.597 ( -0.790 1.994 -0.731) 2.266 8.126 ( 1.245 5.797 -4.364) 7.362 8.148 ( 1.475 3.686 -3.772) 5.477 8.162 ( 2.741 4.106 -5.185) 7.159 8.175 ( 2.576 3.666 -4.702) 6.495 8.416 ( 0.612 6.432 3.314) 7.261 8.431 ( -0.514 6.137 3.457) 7.062 8.472 ( 1.222 3.231 2.924) 4.526 8.509 ( 1.462 1.295 2.519) 3.187 8.871 ( 2.185 1.463 0.487) 2.674 8.898 ( 4.017 -0.813 -1.023) 4.224 8.973 ( 2.625 1.064 0.999) 3.004 8.995 ( 2.385 -0.941 -0.066) 2.565 9.708 ( 2.130 -0.912 -0.058) 2.317 9.731 ( 0.589 -2.208 -0.651) 2.376 9.773 ( 2.985 -0.058 0.093) 2.987 9.817 ( 1.369 -3.500 -1.113) 3.920 9.990 ( -5.514 10.726 6.537) 13.718 10.186 ( -8.673 -4.102 -0.045) 9.594 10.356 ( -12.995 4.054 4.185) 14.241 10.569 ( -17.053 -11.985 -0.093) 20.844 10.815 ( 8.812 12.136 -0.240) 14.999 11.016 ( 4.723 1.067 -7.050) 8.552 11.155 ( 5.211 -4.763 0.409) 7.072 11.258 ( 2.047 -3.936 -4.076) 6.024 11.423 ( 0.310 2.157 1.776) 2.811 11.465 ( 1.707 0.203 -1.355) 2.189 11.610 ( 0.020 -1.053 -0.446) 1.144 11.684 ( 0.022 -6.503 -1.048) 6.587 11.811 ( -1.186 5.372 6.155) 8.255 11.916 ( -2.743 -4.478 6.735) 8.541 12.015 ( -6.604 3.289 4.927) 8.871 12.120 ( -5.681 -5.535 2.265) 8.249 12.436 ( 9.100 2.548 -2.932) 9.895 12.500 ( 6.884 -4.996 -3.633) 9.249 12.756 ( 7.004 6.402 -0.248) 9.493 12.896 ( 4.694 -7.102 -5.357) 10.058 13.052 ( -6.405 2.937 2.290) 7.409 13.101 ( -7.725 -1.569 2.828) 8.375 13.189 ( -3.789 5.809 -2.138) 7.258 13.309 ( -4.298 -5.956 -4.217) 8.469 15.744 ( 1.516 2.990 -1.973) 3.890 15.831 ( -0.511 -4.799 -4.546) 6.630 15.919 ( -2.309 -2.493 -0.394) 3.421 15.938 ( -1.902 -3.423 -0.935) 4.026 16.125 ( 4.657 -0.246 -0.493) 4.689 16.160 ( 5.020 -3.767 -1.269) 6.403 16.364 ( -0.985 -0.263 5.675) 5.765 16.403 ( -1.185 -3.936 3.413) 5.342 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 0.666 3.496 -0.052) 3.559 2.965 ( -0.621 3.070 -0.867) 3.250 3.011 ( 0.072 -1.486 0.208) 1.503 3.021 ( -1.009 -1.694 -0.274) 1.991 3.191 ( 0.994 4.223 -1.802) 4.698 3.212 ( -0.762 2.888 -2.027) 3.610 3.268 ( 1.562 -3.042 -2.501) 4.236 3.284 ( -0.386 -4.022 -3.902) 5.617 4.114 ( 0.649 8.588 5.571) 10.257 4.162 ( -3.458 6.919 3.617) 8.539 4.269 ( -0.036 -2.816 2.513) 3.774 4.301 ( -3.167 -4.538 2.890) 6.243 4.412 ( 5.326 3.549 5.444) 8.403 4.519 ( -2.000 3.397 2.772) 4.819 4.547 ( 3.186 -4.513 1.444) 5.710 4.632 ( -3.182 -2.335 -0.307) 3.958 4.820 ( 6.156 10.575 -0.405) 12.243 4.924 ( -2.921 9.736 -0.950) 10.209 5.004 ( 8.521 -6.950 -3.246) 11.465 5.129 ( -1.705 -8.577 -3.700) 9.495 5.298 ( -0.050 8.631 -5.375) 10.168 5.347 ( -3.557 9.430 -5.859) 11.657 5.414 ( -0.357 -1.799 -3.914) 4.322 5.475 ( -5.189 -1.959 -5.060) 7.508 5.594 ( 5.761 7.351 4.482) 10.360 5.707 ( -2.596 5.404 2.827) 6.628 5.754 ( 2.586 -4.353 1.204) 5.204 5.867 ( -5.912 -5.908 -0.601) 8.380 6.202 ( 4.878 -0.929 1.538) 5.198 6.240 ( 2.246 -3.691 -0.056) 4.321 6.323 ( -3.211 -5.218 2.001) 6.445 6.325 ( -2.470 -4.822 1.682) 5.673 7.506 ( 1.579 6.427 2.021) 6.920 7.521 ( 0.248 7.276 1.271) 7.390 7.536 ( 1.534 3.966 0.416) 4.272 7.573 ( -1.663 3.026 -0.234) 3.461 8.157 ( 1.884 5.744 -3.516) 6.993 8.185 ( 1.833 3.535 -2.885) 4.917 8.190 ( -0.389 4.743 -3.690) 6.022 8.212 ( 0.133 3.260 -3.518) 4.798 8.433 ( 1.696 5.502 2.352) 6.219 8.457 ( 3.118 2.922 0.769) 4.342 8.473 ( -0.949 4.782 2.125) 5.318 8.522 ( -1.538 0.400 0.694) 1.734 8.947 ( 4.851 4.208 1.522) 6.600 8.993 ( 3.692 0.452 -0.505) 3.754 9.021 ( -0.362 1.768 0.488) 1.869 9.025 ( 1.598 1.245 0.320) 2.051 9.747 ( 1.879 -0.251 1.524) 2.432 9.778 ( 4.568 -3.249 1.681) 5.852 9.806 ( -2.140 -0.002 3.514) 4.115 9.843 ( 1.131 -2.640 0.736) 2.965 9.926 ( 0.480 5.096 2.457) 5.678 10.027 ( -7.318 5.468 -1.939) 9.339 10.128 ( -4.900 -9.340 1.627) 10.672 10.243 ( -13.443 -11.289 -1.294) 17.602 10.970 ( 6.378 12.567 -1.062) 14.133 11.056 ( -1.505 10.581 -4.008) 11.414 11.241 ( 3.439 -11.231 -1.884) 11.896 11.280 ( -0.153 -6.756 -3.063) 7.420 11.434 ( 1.046 8.194 -0.244) 8.264 11.466 ( -1.473 9.281 -3.679) 10.092 11.634 ( 1.327 -5.726 -1.371) 6.036 11.659 ( -1.791 -5.467 -2.935) 6.459 11.818 ( 2.589 2.070 5.963) 6.823 11.898 ( -2.891 -2.716 9.695) 10.475 11.906 ( 0.278 -3.531 3.410) 4.916 11.997 ( -6.091 -8.037 5.077) 11.290 12.635 ( 10.387 2.579 0.169) 10.704 12.668 ( 9.794 -0.869 -0.929) 9.877 12.850 ( -9.236 2.712 1.304) 9.714 12.883 ( -8.015 -0.278 0.266) 8.024 12.934 ( 5.254 4.903 -0.424) 7.199 13.053 ( 6.109 -6.488 -4.139) 9.826 13.084 ( -6.284 4.354 -1.704) 7.833 13.195 ( -6.755 -6.165 -4.679) 10.273 15.785 ( 2.460 1.650 -2.763) 4.051 15.826 ( -0.725 -0.225 -3.986) 4.057 15.874 ( -1.138 -5.072 -1.379) 5.378 15.894 ( -2.143 -4.830 -1.845) 5.597 16.232 ( 5.166 0.261 1.982) 5.539 16.265 ( 4.509 -2.473 0.766) 5.200 16.328 ( -2.434 -1.281 4.199) 5.020 16.361 ( -3.145 -3.944 2.532) 5.644 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 0.000 -29.432) 29.432 1.376 ( 0.000 0.000 29.432) 29.432 1.416 ( 0.000 0.000 -28.660) 28.660 1.416 ( 0.000 0.000 28.660) 28.660 2.487 ( 0.000 0.000 -3.681) 3.681 2.487 ( 0.000 0.000 3.681) 3.681 2.536 ( 0.000 0.000 -42.113) 42.113 2.536 ( 0.000 0.000 42.113) 42.113 2.773 ( 0.000 0.000 -1.219) 1.219 2.773 ( 0.000 0.000 1.219) 1.219 2.981 ( 0.000 0.000 -11.114) 11.114 2.981 ( 0.000 0.000 11.114) 11.114 3.054 ( 0.000 0.000 -8.611) 8.611 3.054 ( 0.000 0.000 8.611) 8.611 3.130 ( 0.000 0.000 -1.573) 1.573 3.130 ( 0.000 0.000 1.573) 1.573 3.297 ( 0.000 0.000 -6.886) 6.886 3.297 ( 0.000 0.000 6.886) 6.886 3.431 ( 0.000 0.000 -6.434) 6.434 3.431 ( 0.000 0.000 6.434) 6.434 4.065 ( 0.000 0.000 -4.396) 4.396 4.065 ( 0.000 0.000 4.396) 4.396 4.082 ( 0.000 0.000 -10.878) 10.878 4.082 ( 0.000 0.000 10.878) 10.878 4.797 ( 0.000 0.000 -24.578) 24.578 4.797 ( 0.000 0.000 24.578) 24.578 4.975 ( 0.000 0.000 -1.176) 1.176 4.975 ( 0.000 0.000 1.176) 1.176 5.620 ( 0.000 0.000 -9.791) 9.791 5.620 ( 0.000 0.000 9.791) 9.791 6.317 ( 0.000 0.000 -5.688) 5.688 6.317 ( 0.000 0.000 5.688) 5.688 6.467 ( 0.000 0.000 -2.436) 2.436 6.467 ( 0.000 0.000 2.436) 2.436 6.632 ( 0.000 0.000 -8.311) 8.311 6.632 ( 0.000 0.000 8.311) 8.311 6.663 ( 0.000 0.000 -11.895) 11.895 6.663 ( 0.000 0.000 11.895) 11.895 7.764 ( 0.000 0.000 -11.692) 11.692 7.764 ( 0.000 0.000 11.692) 11.692 8.069 ( 0.000 0.000 -4.978) 4.978 8.069 ( 0.000 0.000 4.978) 4.978 8.256 ( 0.000 0.000 -3.727) 3.727 8.256 ( 0.000 0.000 3.727) 3.727 8.768 ( 0.000 0.000 -6.998) 6.998 8.768 ( 0.000 0.000 6.998) 6.998 8.859 ( 0.000 0.000 -2.910) 2.910 8.859 ( 0.000 0.000 2.910) 2.910 9.129 ( 0.000 0.000 -13.350) 13.350 9.129 ( 0.000 0.000 13.350) 13.350 9.398 ( 0.000 0.000 -1.683) 1.683 9.398 ( 0.000 0.000 1.683) 1.683 9.652 ( 0.000 0.000 -4.613) 4.613 9.652 ( 0.000 0.000 4.613) 4.613 9.970 ( 0.000 0.000 -1.858) 1.858 9.970 ( 0.000 0.000 1.858) 1.858 10.627 ( 0.000 0.000 -14.103) 14.103 10.627 ( 0.000 0.000 14.103) 14.103 10.690 ( 0.000 0.000 -1.189) 1.189 10.690 ( 0.000 0.000 1.189) 1.189 11.031 ( 0.000 0.000 -10.734) 10.734 11.031 ( 0.000 0.000 10.734) 10.734 11.439 ( 0.000 0.000 -1.931) 1.931 11.439 ( 0.000 0.000 1.931) 1.931 12.590 ( 0.000 0.000 -0.410) 0.410 12.590 ( 0.000 0.000 0.410) 0.410 12.607 ( 0.000 0.000 -0.332) 0.332 12.607 ( 0.000 0.000 0.332) 0.332 12.609 ( 0.000 0.000 -11.549) 11.549 12.609 ( 0.000 0.000 11.549) 11.549 12.741 ( 0.000 0.000 -2.885) 2.885 12.741 ( 0.000 0.000 2.885) 2.885 14.054 ( 0.000 0.000 -1.453) 1.453 14.054 ( 0.000 0.000 1.453) 1.453 14.290 ( 0.000 0.000 -3.659) 3.659 14.290 ( 0.000 0.000 3.659) 3.659 15.944 ( 0.000 0.000 -5.267) 5.267 15.944 ( 0.000 0.000 5.267) 5.267 16.437 ( 0.000 0.000 -3.966) 3.966 16.437 ( 0.000 0.000 3.966) 3.966 17.667 ( 0.000 0.000 -8.951) 8.951 17.667 ( 0.000 0.000 8.951) 8.951 18.401 ( 0.000 0.000 -6.007) 6.007 18.401 ( 0.000 0.000 6.007) 6.007 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 11.338 0.000 -25.190) 27.624 1.537 ( 11.338 0.000 25.190) 27.624 1.563 ( 16.706 0.000 -24.135) 29.352 1.563 ( 16.706 0.000 24.135) 29.352 2.415 ( -7.936 0.000 -3.873) 8.831 2.415 ( -7.936 0.000 3.873) 8.831 2.670 ( 11.966 0.000 -36.626) 38.532 2.670 ( 11.966 0.000 36.626) 38.532 2.731 ( -3.052 0.000 -1.891) 3.590 2.731 ( -3.052 0.000 1.891) 3.590 2.836 ( -15.205 0.000 -15.703) 21.858 2.836 ( -15.205 0.000 15.703) 21.858 3.012 ( -2.487 0.000 -5.019) 5.602 3.012 ( -2.487 0.000 5.019) 5.602 3.238 ( 8.522 0.000 -6.967) 11.007 3.238 ( 8.522 0.000 6.967) 11.007 3.373 ( 11.982 0.000 -4.701) 12.871 3.373 ( 11.982 0.000 4.701) 12.871 3.516 ( 6.450 0.000 -4.405) 7.810 3.516 ( 6.450 0.000 4.405) 7.810 4.049 ( -1.399 0.000 -3.875) 4.120 4.049 ( -1.399 0.000 3.875) 4.120 4.187 ( 7.765 0.000 -11.153) 13.590 4.187 ( 7.765 0.000 11.153) 13.590 4.739 ( -8.542 0.000 -18.743) 20.598 4.739 ( -8.542 0.000 18.743) 20.598 4.773 ( -16.436 0.000 -8.298) 18.412 4.773 ( -16.436 0.000 8.298) 18.412 5.616 ( -0.370 0.000 -7.525) 7.534 5.616 ( -0.370 0.000 7.525) 7.534 6.107 ( -13.934 0.000 -3.405) 14.344 6.107 ( -13.934 0.000 3.405) 14.344 6.423 ( -3.720 0.000 -4.788) 6.063 6.423 ( -3.720 0.000 4.788) 6.063 6.668 ( 1.117 0.000 -3.217) 3.405 6.668 ( 1.117 0.000 3.217) 3.405 6.857 ( 15.397 0.000 -19.475) 24.826 6.857 ( 15.397 0.000 19.475) 24.826 7.718 ( -5.043 0.000 -11.343) 12.414 7.718 ( -5.043 0.000 11.343) 12.414 8.061 ( -0.742 0.000 -3.968) 4.037 8.061 ( -0.742 0.000 3.968) 4.037 8.244 ( -0.910 0.000 -2.933) 3.071 8.244 ( -0.910 0.000 2.933) 3.071 8.826 ( 5.670 0.000 -5.815) 8.122 8.826 ( 5.670 0.000 5.815) 8.122 8.920 ( 5.679 0.000 -2.888) 6.371 8.920 ( 5.679 0.000 2.888) 6.371 9.141 ( 0.008 0.000 -10.530) 10.530 9.141 ( 0.008 0.000 10.530) 10.530 9.349 ( -4.672 0.000 -1.965) 5.069 9.349 ( -4.672 0.000 1.965) 5.069 9.805 ( 13.964 0.000 -3.124) 14.310 9.805 ( 13.964 0.000 3.124) 14.310 9.977 ( 0.654 0.000 -1.443) 1.584 9.977 ( 0.654 0.000 1.443) 1.584 10.537 ( -6.341 0.000 -9.304) 11.259 10.537 ( -6.341 0.000 9.304) 11.259 10.691 ( 0.076 0.000 -0.961) 0.964 10.691 ( 0.076 0.000 0.961) 0.964 11.176 ( 10.998 0.000 -3.979) 11.696 11.176 ( 10.998 0.000 3.979) 11.696 11.406 ( -3.147 0.000 -2.153) 3.813 11.406 ( -3.147 0.000 2.153) 3.813 12.441 ( -16.448 0.000 -5.550) 17.359 12.441 ( -16.448 0.000 5.550) 17.359 12.591 ( 0.113 0.000 -0.389) 0.405 12.591 ( 0.113 0.000 0.389) 0.405 12.606 ( -0.135 0.000 -0.326) 0.353 12.606 ( -0.135 0.000 0.326) 0.353 12.743 ( 2.392 0.000 -1.719) 2.946 12.743 ( 2.392 0.000 1.719) 2.946 14.042 ( -1.173 0.000 -2.978) 3.201 14.042 ( -1.173 0.000 2.978) 3.201 14.269 ( -1.905 0.000 -3.557) 4.035 14.269 ( -1.905 0.000 3.557) 4.035 16.017 ( 6.176 0.000 -3.535) 7.116 16.017 ( 6.176 0.000 3.535) 7.116 16.484 ( 3.856 0.000 -4.847) 6.194 16.484 ( 3.856 0.000 4.847) 6.194 17.682 ( 1.522 0.000 -8.990) 9.118 17.682 ( 1.522 0.000 8.990) 9.118 18.251 ( -12.586 0.000 -1.509) 12.676 18.251 ( -12.586 0.000 1.509) 12.676 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 16.745 0.000 -18.025) 24.602 1.829 ( 16.745 0.000 18.025) 24.602 1.962 ( 21.884 0.000 -16.280) 27.275 1.962 ( 21.884 0.000 16.280) 27.275 2.167 ( -15.742 0.000 -10.563) 18.958 2.167 ( -15.742 0.000 10.563) 18.958 2.416 ( -22.458 0.000 -11.348) 25.162 2.416 ( -22.458 0.000 11.348) 25.162 2.691 ( -0.860 0.000 -0.853) 1.211 2.691 ( -0.860 0.000 0.853) 1.211 2.953 ( 9.678 0.000 -16.390) 19.034 2.953 ( 9.678 0.000 16.390) 19.034 2.981 ( -0.679 0.000 -1.348) 1.509 2.981 ( -0.679 0.000 1.348) 1.509 3.495 ( 16.217 0.000 -6.881) 17.617 3.495 ( 16.217 0.000 6.881) 17.617 3.624 ( 3.345 0.000 -1.738) 3.769 3.624 ( 3.345 0.000 1.738) 3.769 3.632 ( 8.788 0.000 -10.056) 13.355 3.632 ( 8.788 0.000 10.056) 13.355 4.019 ( -1.155 0.000 -1.798) 2.137 4.019 ( -1.155 0.000 1.798) 2.137 4.260 ( -15.479 0.000 -4.536) 16.130 4.260 ( -15.479 0.000 4.536) 16.130 4.350 ( -2.570 0.000 -10.943) 11.241 4.350 ( -2.570 0.000 10.943) 11.241 4.606 ( -6.647 0.000 -9.732) 11.785 4.606 ( -6.647 0.000 9.732) 11.785 5.638 ( 3.186 0.000 -3.406) 4.664 5.638 ( 3.186 0.000 3.406) 4.664 5.841 ( -10.878 0.000 -2.366) 11.132 5.841 ( -10.878 0.000 2.366) 11.132 6.382 ( -0.564 0.000 -1.318) 1.434 6.382 ( -0.564 0.000 1.318) 1.434 6.672 ( -0.238 0.000 -0.951) 0.980 6.672 ( -0.238 0.000 0.951) 0.980 7.158 ( 12.184 0.000 -13.794) 18.404 7.158 ( 12.184 0.000 13.794) 18.404 7.572 ( -7.973 0.000 -9.762) 12.604 7.572 ( -7.973 0.000 9.762) 12.604 8.047 ( -0.478 0.000 -1.459) 1.536 8.047 ( -0.478 0.000 1.459) 1.536 8.230 ( -0.414 0.000 -1.058) 1.136 8.230 ( -0.414 0.000 1.058) 1.136 8.961 ( 6.481 0.000 -2.989) 7.137 8.961 ( 6.481 0.000 2.989) 7.137 9.063 ( 8.055 0.000 -2.782) 8.522 9.063 ( 8.055 0.000 2.782) 8.522 9.103 ( -3.613 0.000 -4.387) 5.683 9.103 ( -3.613 0.000 4.387) 5.683 9.224 ( -7.521 0.000 -2.462) 7.914 9.224 ( -7.521 0.000 2.462) 7.914 9.989 ( 0.364 0.000 -0.520) 0.635 9.989 ( 0.364 0.000 0.520) 0.635 10.123 ( 14.876 0.000 -2.349) 15.061 10.123 ( 14.876 0.000 2.349) 15.061 10.403 ( -7.580 0.000 -6.014) 9.676 10.403 ( -7.580 0.000 6.014) 9.676 10.693 ( 0.047 0.000 -0.367) 0.370 10.693 ( 0.047 0.000 0.367) 0.370 11.286 ( -2.518 0.000 -6.567) 7.033 11.286 ( -2.518 0.000 6.567) 7.033 11.426 ( 6.942 0.000 -5.535) 8.878 11.426 ( 6.942 0.000 5.535) 8.878 12.110 ( -12.222 0.000 -0.682) 12.241 12.110 ( -12.222 0.000 0.682) 12.241 12.594 ( 0.121 0.000 -0.243) 0.271 12.594 ( 0.121 0.000 0.243) 0.271 12.603 ( -0.134 0.000 -0.219) 0.256 12.603 ( -0.134 0.000 0.219) 0.256 12.801 ( 2.165 0.000 -0.827) 2.318 12.801 ( 2.165 0.000 0.827) 2.318 14.016 ( -0.957 0.000 -1.951) 2.173 14.016 ( -0.957 0.000 1.951) 2.173 14.233 ( -1.177 0.000 -1.923) 2.255 14.233 ( -1.177 0.000 1.923) 2.255 16.132 ( 3.810 0.000 -1.185) 3.990 16.132 ( 3.810 0.000 1.185) 3.990 16.551 ( 2.024 0.000 -2.786) 3.444 16.551 ( 2.024 0.000 2.786) 3.444 17.727 ( 2.584 0.000 -6.171) 6.690 17.727 ( 2.584 0.000 6.171) 6.690 18.012 ( -8.580 0.000 -3.435) 9.242 18.012 ( -8.580 0.000 3.435) 9.242 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 10.920 -24.919) 27.207 1.490 ( 0.000 10.920 24.919) 27.207 1.650 ( 0.000 19.505 -24.980) 31.694 1.650 ( 0.000 19.505 24.980) 31.694 2.660 ( 0.000 15.362 -2.904) 15.634 2.660 ( 0.000 15.362 2.904) 15.634 2.725 ( 0.000 18.812 -27.682) 33.469 2.725 ( 0.000 18.812 27.682) 33.469 2.938 ( 0.000 0.432 -10.265) 10.274 2.938 ( 0.000 0.432 10.265) 10.274 2.975 ( 0.000 18.678 -0.438) 18.684 2.975 ( 0.000 18.678 0.438) 18.684 3.126 ( 0.000 1.103 -1.648) 1.983 3.126 ( 0.000 1.103 1.648) 1.983 3.259 ( 0.000 7.074 -2.386) 7.466 3.259 ( 0.000 7.074 2.386) 7.466 3.394 ( 0.000 21.366 -3.001) 21.576 3.394 ( 0.000 21.366 3.001) 21.576 3.659 ( 0.000 18.702 -6.142) 19.685 3.659 ( 0.000 18.702 6.142) 19.685 4.112 ( 0.000 4.620 -10.724) 11.677 4.112 ( 0.000 4.620 10.724) 11.677 4.286 ( 0.000 20.833 -4.048) 21.223 4.286 ( 0.000 20.833 4.048) 21.223 4.762 ( 0.000 -3.202 -22.056) 22.287 4.762 ( 0.000 -3.202 22.056) 22.287 4.978 ( 0.000 1.093 -0.537) 1.218 4.978 ( 0.000 1.093 0.537) 1.218 5.620 ( 0.000 0.433 -9.889) 9.899 5.620 ( 0.000 0.433 9.889) 9.899 6.296 ( 0.000 -2.038 -5.109) 5.500 6.296 ( 0.000 -2.038 5.109) 5.500 6.424 ( 0.000 -4.335 -4.659) 6.364 6.424 ( 0.000 -4.335 4.659) 6.364 6.591 ( 0.000 -3.318 -5.513) 6.434 6.591 ( 0.000 -3.318 5.513) 6.434 6.635 ( 0.000 -0.931 -11.510) 11.548 6.635 ( 0.000 -0.931 11.510) 11.548 7.601 ( 0.000 -11.661 -9.670) 15.149 7.601 ( 0.000 -11.661 9.670) 15.149 8.258 ( 0.000 14.183 -0.463) 14.191 8.258 ( 0.000 14.183 0.463) 14.191 8.482 ( 0.000 17.238 -3.936) 17.682 8.482 ( 0.000 17.238 3.936) 17.682 8.663 ( 0.000 -6.519 -6.695) 9.345 8.663 ( 0.000 -6.519 6.695) 9.345 9.002 ( 0.000 3.104 -8.738) 9.273 9.002 ( 0.000 3.104 8.738) 9.273 9.142 ( 0.000 8.013 -5.638) 9.798 9.142 ( 0.000 8.013 5.638) 9.798 9.511 ( 0.000 10.526 -0.895) 10.564 9.511 ( 0.000 10.526 0.895) 10.564 9.671 ( 0.000 2.463 -6.622) 7.065 9.671 ( 0.000 2.463 6.622) 7.065 9.987 ( 0.000 1.550 -2.478) 2.923 9.987 ( 0.000 1.550 2.478) 2.923 10.637 ( 0.000 -2.145 -1.388) 2.555 10.637 ( 0.000 -2.145 1.388) 2.555 10.701 ( 0.000 4.848 -10.619) 11.673 10.701 ( 0.000 4.848 10.619) 11.673 11.017 ( 0.000 -1.726 -8.806) 8.974 11.017 ( 0.000 -1.726 8.806) 8.974 11.505 ( 0.000 5.616 -0.097) 5.617 11.505 ( 0.000 5.616 0.097) 5.617 12.415 ( 0.000 -13.545 -0.719) 13.564 12.415 ( 0.000 -13.545 0.719) 13.564 12.560 ( 0.000 -2.256 -0.332) 2.280 12.560 ( 0.000 -2.256 0.332) 2.280 12.621 ( 0.000 -0.085 -10.680) 10.680 12.621 ( 0.000 -0.085 10.680) 10.680 12.865 ( 0.000 8.418 -3.922) 9.287 12.865 ( 0.000 8.418 3.922) 9.287 13.971 ( 0.000 -8.225 -1.633) 8.386 13.971 ( 0.000 -8.225 1.633) 8.386 14.228 ( 0.000 -6.270 -2.669) 6.815 14.228 ( 0.000 -6.270 2.669) 6.815 15.969 ( 0.000 1.408 -3.398) 3.678 15.969 ( 0.000 1.408 3.398) 3.678 16.466 ( 0.000 2.432 -6.231) 6.689 16.466 ( 0.000 2.432 6.231) 6.689 17.586 ( 0.000 -7.990 -8.451) 11.630 17.586 ( 0.000 -7.990 8.451) 11.630 18.228 ( 0.000 -16.153 -2.183) 16.300 18.228 ( 0.000 -16.153 2.183) 16.300 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 13.129 9.423 -22.820) 27.962 1.631 ( 13.129 9.423 22.820) 27.962 1.777 ( 11.967 17.649 -23.941) 32.060 1.777 ( 11.967 17.649 23.941) 32.060 2.586 ( -8.022 14.604 -1.760) 16.755 2.586 ( -8.022 14.604 1.760) 16.755 2.777 ( -1.054 10.207 -14.140) 17.471 2.777 ( -1.054 10.207 14.140) 17.471 2.843 ( -7.666 6.548 -14.729) 17.849 2.843 ( -7.666 6.548 14.729) 17.849 2.963 ( 2.522 18.707 -8.877) 20.860 2.963 ( 2.522 18.707 8.877) 20.860 3.182 ( 1.602 13.084 -7.118) 14.981 3.182 ( 1.602 13.084 7.118) 14.981 3.294 ( 7.691 5.001 -8.697) 12.641 3.294 ( 7.691 5.001 8.697) 12.641 3.456 ( 8.014 14.178 -6.752) 17.630 3.456 ( 8.014 14.178 6.752) 17.630 3.742 ( 6.937 19.542 -6.421) 21.708 3.742 ( 6.937 19.542 6.421) 21.708 4.197 ( 6.267 3.532 -9.664) 12.048 4.197 ( 6.267 3.532 9.664) 12.048 4.268 ( -1.393 19.435 -2.882) 19.697 4.268 ( -1.393 19.435 2.882) 19.697 4.710 ( -5.699 -2.619 -18.469) 19.505 4.710 ( -5.699 -2.619 18.469) 19.505 4.794 ( -16.859 3.382 -5.622) 18.090 4.794 ( -16.859 3.382 5.622) 18.090 5.610 ( -0.844 -0.192 -6.873) 6.928 5.610 ( -0.844 -0.192 6.873) 6.928 6.090 ( -14.164 -1.688 -4.480) 14.951 6.090 ( -14.164 -1.688 4.480) 14.951 6.383 ( -2.647 -3.777 -4.267) 6.283 6.383 ( -2.647 -3.777 4.267) 6.283 6.636 ( 1.163 -2.266 -1.425) 2.918 6.636 ( 1.163 -2.266 1.425) 2.918 6.815 ( 14.467 -3.106 -14.605) 20.790 6.815 ( 14.467 -3.106 14.605) 20.790 7.570 ( -3.591 -10.672 -9.851) 14.961 7.570 ( -3.591 -10.672 9.851) 14.961 8.256 ( -0.181 15.092 -1.149) 15.137 8.256 ( -0.181 15.092 1.149) 15.137 8.455 ( -2.488 15.929 -1.632) 16.204 8.455 ( -2.488 15.929 1.632) 16.204 8.743 ( 7.164 -5.345 -4.934) 10.209 8.743 ( 7.164 -5.345 4.934) 10.209 9.003 ( 0.870 -0.108 -7.378) 7.430 9.003 ( 0.870 -0.108 7.378) 7.430 9.171 ( 1.684 9.166 -3.086) 9.817 9.171 ( 1.684 9.166 3.086) 9.817 9.464 ( -4.295 10.165 -1.031) 11.083 9.464 ( -4.295 10.165 1.031) 11.083 9.805 ( 11.783 0.743 -3.845) 12.416 9.805 ( 11.783 0.743 3.845) 12.416 10.018 ( 2.885 3.566 -1.816) 4.933 10.018 ( 2.885 3.566 1.816) 4.933 10.531 ( -6.689 -0.935 -4.942) 8.369 10.531 ( -6.689 -0.935 4.942) 8.369 10.712 ( -0.154 2.744 -4.802) 5.533 10.712 ( -0.154 2.744 4.802) 5.533 11.160 ( 11.069 -1.658 -3.763) 11.808 11.160 ( 11.069 -1.658 3.763) 11.808 11.457 ( -4.487 4.304 -1.341) 6.360 11.457 ( -4.487 4.304 1.341) 6.360 12.358 ( -8.160 -10.099 -0.638) 12.999 12.358 ( -8.160 -10.099 0.638) 12.999 12.500 ( -7.368 -2.891 -6.772) 10.417 12.500 ( -7.368 -2.891 6.772) 10.417 12.579 ( 0.726 -1.666 -1.555) 2.392 12.579 ( 0.726 -1.666 1.555) 2.392 12.874 ( 1.970 8.789 -2.766) 9.422 12.874 ( 1.970 8.789 2.766) 9.422 13.966 ( -0.571 -7.630 -2.842) 8.162 13.966 ( -0.571 -7.630 2.842) 8.162 14.204 ( -2.149 -6.543 -2.871) 7.461 14.204 ( -2.149 -6.543 2.871) 7.461 16.032 ( 5.483 0.818 -2.550) 6.102 16.032 ( 5.483 0.818 2.550) 6.102 16.503 ( 3.046 1.538 -6.282) 7.149 16.503 ( 3.046 1.538 6.282) 7.149 17.599 ( 1.280 -8.200 -8.504) 11.882 17.599 ( 1.280 -8.200 8.504) 11.882 18.106 ( -10.388 -13.789 -1.464) 17.326 18.106 ( -10.388 -13.789 1.464) 17.326 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 18.144 8.971 -13.198) 24.164 1.959 ( 18.144 8.971 13.198) 24.164 2.082 ( 16.613 12.554 -17.141) 26.971 2.082 ( 16.613 12.554 17.141) 26.971 2.338 ( -15.132 13.473 -7.271) 21.526 2.338 ( -15.132 13.473 7.271) 21.526 2.479 ( -18.766 7.832 -11.908) 23.565 2.479 ( -18.766 7.832 11.908) 23.565 2.822 ( -0.327 14.018 -1.586) 14.111 2.822 ( -0.327 14.018 1.586) 14.111 3.102 ( 5.596 14.000 -4.880) 15.847 3.102 ( 5.596 14.000 4.880) 15.847 3.187 ( 0.641 18.832 -4.526) 19.379 3.187 ( 0.641 18.832 4.526) 19.379 3.543 ( 13.831 6.255 -5.931) 16.297 3.543 ( 13.831 6.255 5.931) 16.297 3.647 ( 7.204 5.191 -10.376) 13.656 3.647 ( 7.204 5.191 10.376) 13.656 3.888 ( 5.877 21.253 -5.061) 22.624 3.888 ( 5.877 21.253 5.061) 22.624 4.205 ( -2.451 13.466 -2.047) 13.839 4.205 ( -2.451 13.466 2.047) 13.839 4.312 ( -2.433 6.962 -2.457) 7.773 4.312 ( -2.433 6.962 2.457) 7.773 4.390 ( -12.363 8.105 -13.091) 19.746 4.390 ( -12.363 8.105 13.091) 19.746 4.583 ( -6.314 -1.357 -9.459) 11.454 4.583 ( -6.314 -1.357 9.459) 11.454 5.623 ( 2.965 -1.057 -2.808) 4.218 5.623 ( 2.965 -1.057 2.808) 4.218 5.820 ( -10.963 -2.006 -2.806) 11.493 5.820 ( -10.963 -2.006 2.806) 11.493 6.357 ( -0.266 -2.413 -1.235) 2.724 6.357 ( -0.266 -2.413 1.235) 2.724 6.646 ( 0.053 -1.932 -0.716) 2.061 6.646 ( 0.053 -1.932 0.716) 2.061 7.096 ( 11.540 -5.156 -10.836) 16.649 7.096 ( 11.540 -5.156 10.836) 16.649 7.453 ( -7.017 -8.728 -8.256) 13.913 7.453 ( -7.017 -8.728 8.256) 13.913 8.252 ( -0.128 17.210 -0.845) 17.232 8.252 ( -0.128 17.210 0.845) 17.232 8.411 ( -1.316 13.419 -0.714) 13.502 8.411 ( -1.316 13.419 0.714) 13.502 8.894 ( 6.778 -5.309 -2.962) 9.105 8.894 ( 6.778 -5.309 2.962) 9.105 9.003 ( -2.220 -4.254 -4.182) 6.365 9.003 ( -2.220 -4.254 4.182) 6.365 9.221 ( 3.821 11.288 -1.549) 12.017 9.221 ( 3.821 11.288 1.549) 12.017 9.359 ( -5.376 10.932 -0.941) 12.219 9.359 ( -5.376 10.932 0.941) 12.219 9.996 ( 3.584 0.854 -1.430) 3.952 9.996 ( 3.584 0.854 1.430) 3.952 10.137 ( 8.881 1.294 -1.560) 9.109 10.137 ( 8.881 1.294 1.560) 9.109 10.419 ( -4.244 1.884 -3.431) 5.774 10.419 ( -4.244 1.884 3.431) 5.774 10.699 ( -0.807 0.951 -1.756) 2.154 10.699 ( -0.807 0.951 1.756) 2.154 11.297 ( -1.839 0.656 -6.790) 7.065 11.297 ( -1.839 0.656 6.790) 7.065 11.428 ( 5.676 0.124 -5.223) 7.714 11.428 ( 5.676 0.124 5.223) 7.714 12.101 ( -11.295 -1.005 -0.610) 11.356 12.101 ( -11.295 -1.005 0.610) 11.356 12.435 ( -0.887 -10.894 -1.102) 10.986 12.435 ( -0.887 -10.894 1.102) 10.986 12.595 ( 0.530 -0.423 -0.593) 0.901 12.595 ( 0.530 -0.423 0.593) 0.901 12.924 ( 1.942 8.267 -1.248) 8.583 12.924 ( 1.942 8.267 1.248) 8.583 13.952 ( -0.626 -6.696 -1.889) 6.985 13.952 ( -0.626 -6.696 1.889) 6.985 14.163 ( -1.390 -7.109 -1.723) 7.445 14.163 ( -1.390 -7.109 1.723) 7.445 16.137 ( 3.548 0.112 -0.979) 3.682 16.137 ( 3.548 0.112 0.979) 3.682 16.556 ( 1.650 0.404 -3.199) 3.622 16.556 ( 1.650 0.404 3.199) 3.622 17.636 ( 2.023 -8.991 -5.702) 10.837 17.636 ( 2.023 -8.991 5.702) 10.837 17.906 ( -7.252 -10.491 -3.319) 13.178 17.906 ( -7.252 -10.491 3.319) 13.178 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 15.738 -13.050) 20.445 1.761 ( 0.000 15.738 13.050) 20.445 2.073 ( 0.000 22.796 -15.439) 27.532 2.073 ( 0.000 22.796 15.439) 27.532 2.942 ( 0.000 4.581 -5.268) 6.981 2.942 ( 0.000 4.581 5.268) 6.981 2.966 ( 0.000 8.499 -2.651) 8.903 2.966 ( 0.000 8.499 2.651) 8.903 3.127 ( 0.000 8.916 -3.808) 9.696 3.127 ( 0.000 8.916 3.808) 9.696 3.221 ( 0.000 19.482 -9.452) 21.654 3.221 ( 0.000 19.482 9.452) 21.654 3.371 ( 0.000 19.110 -6.892) 20.315 3.371 ( 0.000 19.110 6.892) 20.315 3.654 ( 0.000 34.849 -5.921) 35.348 3.654 ( 0.000 34.849 5.921) 35.348 3.933 ( 0.000 7.709 -3.323) 8.395 3.933 ( 0.000 7.709 3.323) 8.395 4.001 ( 0.000 36.295 -9.210) 37.445 4.001 ( 0.000 36.295 9.210) 37.445 4.386 ( 0.000 20.942 -0.793) 20.957 4.386 ( 0.000 20.942 0.793) 20.957 4.695 ( 0.000 -1.701 -18.652) 18.729 4.695 ( 0.000 -1.701 18.652) 18.729 4.797 ( 0.000 28.034 -5.324) 28.535 4.797 ( 0.000 28.034 5.324) 28.535 5.071 ( 0.000 10.734 -2.768) 11.086 5.071 ( 0.000 10.734 2.768) 11.086 5.662 ( 0.000 4.503 -9.295) 10.328 5.662 ( 0.000 4.503 9.295) 10.328 6.242 ( 0.000 -3.526 -4.387) 5.628 6.242 ( 0.000 -3.526 4.387) 5.628 6.316 ( 0.000 -5.510 -7.551) 9.348 6.316 ( 0.000 -5.510 7.551) 9.348 6.534 ( 0.000 -2.234 -3.598) 4.235 6.534 ( 0.000 -2.234 3.598) 4.235 6.664 ( 0.000 4.567 -5.431) 7.096 6.664 ( 0.000 4.567 5.431) 7.096 7.382 ( 0.000 -10.240 -6.994) 12.401 7.382 ( 0.000 -10.240 6.994) 12.401 8.459 ( 0.000 2.351 -4.768) 5.316 8.459 ( 0.000 2.351 4.768) 5.316 8.535 ( 0.000 -3.636 -7.375) 8.222 8.535 ( 0.000 -3.636 7.375) 8.222 8.808 ( 0.000 11.321 -0.314) 11.325 8.808 ( 0.000 11.321 0.314) 11.325 8.936 ( 0.000 -2.486 -9.100) 9.433 8.936 ( 0.000 -2.486 9.100) 9.433 9.449 ( 0.000 17.399 -1.619) 17.474 9.449 ( 0.000 17.399 1.619) 17.474 9.736 ( 0.000 9.532 -1.627) 9.670 9.736 ( 0.000 9.532 1.627) 9.670 9.773 ( 0.000 8.172 -8.241) 11.606 9.773 ( 0.000 8.172 8.241) 11.606 10.036 ( 0.000 4.550 -2.649) 5.265 10.036 ( 0.000 4.550 2.649) 5.265 10.578 ( 0.000 -3.333 -1.182) 3.537 10.578 ( 0.000 -3.333 1.182) 3.537 10.847 ( 0.000 8.042 -6.565) 10.381 10.847 ( 0.000 8.042 6.565) 10.381 10.980 ( 0.000 0.003 -6.747) 6.747 10.980 ( 0.000 0.003 6.747) 6.747 11.616 ( 0.000 5.027 -1.006) 5.127 11.616 ( 0.000 5.027 1.006) 5.127 12.154 ( 0.000 -11.280 -0.711) 11.302 12.154 ( 0.000 -11.280 0.711) 11.302 12.533 ( 0.000 -0.485 -2.614) 2.658 12.533 ( 0.000 -0.485 2.614) 2.658 12.609 ( 0.000 -1.059 -11.656) 11.704 12.609 ( 0.000 -1.059 11.656) 11.704 13.014 ( 0.000 5.853 -4.456) 7.356 13.014 ( 0.000 5.853 4.456) 7.356 13.750 ( 0.000 -13.483 -2.148) 13.653 13.750 ( 0.000 -13.483 2.148) 13.653 14.044 ( 0.000 -12.422 -0.161) 12.423 14.044 ( 0.000 -12.422 0.161) 12.423 15.971 ( 0.000 -1.249 -1.252) 1.769 15.971 ( 0.000 -1.249 1.252) 1.769 16.501 ( 0.000 0.377 -8.933) 8.941 16.501 ( 0.000 0.377 8.933) 8.941 17.367 ( 0.000 -13.849 -7.168) 15.594 17.367 ( 0.000 -13.849 7.168) 15.594 17.834 ( 0.000 -22.542 -2.031) 22.633 17.834 ( 0.000 -22.542 2.031) 22.633 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 10.549 14.057 -14.061) 22.507 1.870 ( 10.549 14.057 14.061) 22.507 2.152 ( 7.764 19.913 -18.870) 28.511 2.152 ( 7.764 19.913 18.870) 28.511 2.809 ( -10.804 5.302 -5.324) 13.160 2.809 ( -10.804 5.302 5.324) 13.160 2.945 ( -4.678 12.127 -5.270) 14.026 2.945 ( -4.678 12.127 5.270) 14.026 3.223 ( 1.439 22.089 -5.837) 22.893 3.223 ( 1.439 22.089 5.837) 22.893 3.282 ( 10.610 8.759 -3.316) 14.152 3.282 ( 10.610 8.759 3.316) 14.152 3.355 ( 1.238 14.890 -4.367) 15.566 3.355 ( 1.238 14.890 4.367) 15.566 3.694 ( 1.973 32.198 -1.126) 32.278 3.694 ( 1.973 32.198 1.126) 32.278 3.904 ( 0.021 18.673 -7.926) 20.286 3.904 ( 0.021 18.673 7.926) 20.286 4.084 ( 7.230 20.521 -11.689) 24.698 4.084 ( 7.230 20.521 11.689) 24.698 4.458 ( 5.374 20.985 -3.249) 21.904 4.458 ( 5.374 20.985 3.249) 21.904 4.619 ( -6.761 5.591 -15.177) 17.530 4.619 ( -6.761 5.591 15.177) 17.530 4.776 ( -3.366 19.667 -6.272) 20.915 4.776 ( -3.366 19.667 6.272) 20.915 4.983 ( -7.253 18.811 -5.835) 20.988 4.983 ( -7.253 18.811 5.835) 20.988 5.634 ( -2.270 3.438 -5.057) 6.523 5.634 ( -2.270 3.438 5.057) 6.523 6.046 ( -14.799 -2.457 -7.038) 16.570 6.046 ( -14.799 -2.457 7.038) 16.570 6.292 ( -0.184 -4.855 -3.086) 5.756 6.292 ( -0.184 -4.855 3.086) 5.756 6.621 ( 2.236 1.123 -3.500) 4.302 6.621 ( 2.236 1.123 3.500) 4.302 6.768 ( 10.671 -0.864 -8.936) 13.945 6.768 ( 10.671 -0.864 8.936) 13.945 7.367 ( -2.027 -9.684 -7.929) 12.679 7.367 ( -2.027 -9.684 7.929) 12.679 8.485 ( 2.154 5.757 -5.232) 8.072 8.485 ( 2.154 5.757 5.232) 8.072 8.616 ( 6.747 -4.886 -7.668) 11.322 8.616 ( 6.747 -4.886 7.668) 11.322 8.745 ( -4.144 7.262 -2.880) 8.844 8.745 ( -4.144 7.262 2.880) 8.844 8.948 ( 0.170 0.040 -5.230) 5.233 8.948 ( 0.170 0.040 5.230) 5.233 9.471 ( 1.443 17.314 -1.398) 17.430 9.471 ( 1.443 17.314 1.398) 17.430 9.663 ( -3.555 7.691 -0.868) 8.518 9.663 ( -3.555 7.691 0.868) 8.518 9.889 ( 7.735 9.232 -4.622) 12.901 9.889 ( 7.735 9.232 4.622) 12.901 10.098 ( 5.556 4.483 -3.581) 7.987 10.098 ( 5.556 4.483 3.581) 7.987 10.505 ( -5.127 -1.419 -1.848) 5.631 10.505 ( -5.127 -1.419 1.848) 5.631 10.796 ( -2.983 4.924 -4.453) 7.278 10.796 ( -2.983 4.924 4.453) 7.278 11.131 ( 11.065 0.007 -5.140) 12.200 11.131 ( 11.065 0.007 5.140) 12.200 11.539 ( -7.060 3.513 -0.880) 7.935 11.539 ( -7.060 3.513 0.880) 7.935 12.137 ( -1.893 -9.968 -1.789) 10.303 12.137 ( -1.893 -9.968 1.789) 10.303 12.475 ( -10.445 -0.733 -9.223) 13.953 12.475 ( -10.445 -0.733 9.223) 13.953 12.565 ( 1.148 0.484 -3.776) 3.976 12.565 ( 1.148 0.484 3.776) 3.976 13.031 ( 2.038 6.448 -3.606) 7.664 13.031 ( 2.038 6.448 3.606) 7.664 13.752 ( 0.100 -13.528 -2.950) 13.846 13.752 ( 0.100 -13.528 2.950) 13.846 14.013 ( -2.798 -12.814 -1.468) 13.198 14.013 ( -2.798 -12.814 1.468) 13.198 16.025 ( 4.794 -1.627 -1.098) 5.180 16.025 ( 4.794 -1.627 1.098) 5.180 16.522 ( 1.874 -0.073 -8.028) 8.244 16.522 ( 1.874 -0.073 8.028) 8.244 17.375 ( 0.731 -14.114 -7.260) 15.889 17.375 ( 0.731 -14.114 7.260) 15.889 17.757 ( -6.774 -20.645 -3.132) 21.953 17.757 ( -6.774 -20.645 3.132) 21.953 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 15.495 10.193 -9.832) 20.992 2.146 ( 15.495 10.193 9.832) 20.992 2.338 ( 5.767 12.123 -18.345) 22.733 2.338 ( 5.767 12.123 18.345) 22.733 2.562 ( -9.416 10.764 -10.206) 17.569 2.562 ( -9.416 10.764 10.206) 17.569 2.774 ( -10.720 18.684 -10.669) 24.038 2.774 ( -10.720 18.684 10.669) 24.038 3.227 ( -0.297 25.050 -1.327) 25.087 3.227 ( -0.297 25.050 1.327) 25.087 3.405 ( 4.873 15.965 -5.076) 17.447 3.405 ( 4.873 15.965 5.076) 17.447 3.491 ( 3.322 6.463 -3.287) 7.976 3.491 ( 3.322 6.463 3.287) 7.976 3.739 ( 3.740 12.501 -1.107) 13.095 3.739 ( 3.740 12.501 1.107) 13.095 3.968 ( 5.515 26.141 -9.138) 28.236 3.968 ( 5.515 26.141 9.138) 28.236 4.231 ( 2.340 11.976 -10.302) 15.970 4.231 ( 2.340 11.976 10.302) 15.970 4.433 ( -3.099 5.130 -8.256) 10.202 4.433 ( -3.099 5.130 8.256) 10.202 4.571 ( -0.941 24.178 -4.060) 24.534 4.571 ( -0.941 24.178 4.060) 24.534 4.664 ( -3.868 22.223 -2.998) 22.756 4.664 ( -3.868 22.223 2.998) 22.756 4.855 ( -4.433 29.409 -5.245) 30.200 4.855 ( -4.433 29.409 5.245) 30.200 5.617 ( 1.677 1.013 -1.837) 2.686 5.617 ( 1.677 1.013 1.837) 2.686 5.771 ( -10.704 -2.623 -4.278) 11.822 5.771 ( -10.704 -2.623 4.278) 11.822 6.301 ( 0.575 -2.688 -1.300) 3.041 6.301 ( 0.575 -2.688 1.300) 3.041 6.640 ( 0.275 2.440 -0.832) 2.593 6.640 ( 0.275 2.440 0.832) 2.593 6.986 ( 8.894 -5.596 -6.429) 12.319 6.986 ( 8.894 -5.596 6.429) 12.319 7.291 ( -4.825 -7.628 -6.107) 10.898 7.291 ( -4.825 -7.628 6.107) 10.898 8.542 ( 3.536 7.519 -7.269) 11.040 8.542 ( 3.536 7.519 7.269) 11.040 8.623 ( -4.266 7.311 -8.744) 12.170 8.623 ( -4.266 7.311 8.744) 12.170 8.790 ( 5.157 -4.574 -1.855) 7.138 8.790 ( 5.157 -4.574 1.855) 7.138 8.933 ( -1.283 -1.703 -1.404) 2.553 8.933 ( -1.283 -1.703 1.404) 2.553 9.503 ( 1.917 15.735 -0.997) 15.883 9.503 ( 1.917 15.735 0.997) 15.883 9.595 ( -3.086 11.720 -0.286) 12.123 9.595 ( -3.086 11.720 0.286) 12.123 10.041 ( 6.102 4.507 -3.363) 8.298 10.041 ( 6.102 4.507 3.363) 8.298 10.178 ( -0.030 3.424 -1.100) 3.597 10.178 ( -0.030 3.424 1.100) 3.597 10.474 ( 3.016 3.081 -1.629) 4.608 10.474 ( 3.016 3.081 1.629) 4.608 10.735 ( -3.001 2.421 -2.941) 4.849 10.735 ( -3.001 2.421 2.941) 4.849 11.298 ( 0.739 -0.337 -5.808) 5.864 11.298 ( 0.739 -0.337 5.808) 5.864 11.426 ( 0.891 -0.328 -3.395) 3.525 11.426 ( 0.891 -0.328 3.395) 3.525 12.064 ( -4.876 -2.519 -2.098) 5.876 12.064 ( -4.876 -2.519 2.098) 5.876 12.276 ( -5.596 -3.958 -3.348) 7.628 12.276 ( -5.596 -3.958 3.348) 7.628 12.598 ( 1.247 0.937 -1.439) 2.122 12.598 ( 1.247 0.937 1.439) 2.122 13.078 ( 1.747 7.029 -1.870) 7.480 13.078 ( 1.747 7.029 1.870) 7.480 13.753 ( -0.010 -13.360 -1.925) 13.498 13.753 ( -0.010 -13.360 1.925) 13.498 13.956 ( -2.036 -13.680 -1.279) 13.890 13.956 ( -2.036 -13.680 1.279) 13.890 16.118 ( 3.142 -2.343 -0.566) 3.960 16.118 ( 3.142 -2.343 0.566) 3.960 16.558 ( 1.191 -0.478 -3.699) 3.915 16.558 ( 1.191 -0.478 3.699) 3.915 17.393 ( 0.895 -15.082 -4.637) 15.804 17.393 ( 0.895 -15.082 4.637) 15.804 17.624 ( -4.768 -17.519 -2.942) 18.393 17.624 ( -4.768 -17.519 2.942) 18.393 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 16.312 -5.772) 17.303 2.081 ( 0.000 16.312 5.772) 17.303 2.524 ( 0.000 22.246 -9.135) 24.048 2.524 ( 0.000 22.246 9.135) 24.048 2.976 ( 0.000 0.970 -1.723) 1.977 2.976 ( 0.000 0.970 1.723) 1.977 3.079 ( 0.000 3.014 -0.323) 3.031 3.079 ( 0.000 3.014 0.323) 3.031 3.297 ( 0.000 11.228 -1.383) 11.313 3.297 ( 0.000 11.228 1.383) 11.313 3.658 ( 0.000 20.887 -5.593) 21.623 3.658 ( 0.000 20.887 5.593) 21.623 3.812 ( 0.000 20.152 -5.342) 20.848 3.812 ( 0.000 20.152 5.342) 20.848 4.036 ( 0.000 12.210 -3.283) 12.644 4.036 ( 0.000 12.210 3.283) 12.644 4.348 ( 0.000 25.396 -3.105) 25.585 4.348 ( 0.000 25.396 3.105) 25.585 4.570 ( 0.000 1.598 -10.656) 10.776 4.570 ( 0.000 1.598 10.656) 10.776 4.739 ( 0.000 5.602 -5.697) 7.990 4.739 ( 0.000 5.602 5.697) 7.990 4.799 ( 0.000 41.110 -14.910) 43.730 4.799 ( 0.000 41.110 14.910) 43.730 5.400 ( 0.000 31.446 -8.196) 32.497 5.400 ( 0.000 31.446 8.196) 32.497 5.415 ( 0.000 19.725 -0.717) 19.738 5.415 ( 0.000 19.725 0.717) 19.738 5.804 ( 0.000 8.746 -10.154) 13.402 5.804 ( 0.000 8.746 10.154) 13.402 6.140 ( 0.000 -5.457 -1.126) 5.572 6.140 ( 0.000 -5.457 1.126) 5.572 6.296 ( 0.000 5.351 -4.748) 7.154 6.296 ( 0.000 5.351 4.748) 7.154 6.518 ( 0.000 1.284 -1.705) 2.134 6.518 ( 0.000 1.284 1.705) 2.134 6.841 ( 0.000 13.925 -2.146) 14.089 6.841 ( 0.000 13.925 2.146) 14.089 7.210 ( 0.000 -6.573 -4.567) 8.004 7.210 ( 0.000 -6.573 4.567) 8.004 8.331 ( 0.000 -8.747 -6.907) 11.145 8.331 ( 0.000 -8.747 6.907) 11.145 8.545 ( 0.000 -1.582 -8.196) 8.347 8.545 ( 0.000 -1.582 8.196) 8.347 8.777 ( 0.000 -3.887 -1.073) 4.032 8.777 ( 0.000 -3.887 1.073) 4.032 9.068 ( 0.000 6.229 -2.360) 6.662 9.068 ( 0.000 6.229 2.360) 6.662 9.717 ( 0.000 7.016 -2.335) 7.394 9.717 ( 0.000 7.016 2.335) 7.394 9.867 ( 0.000 7.168 -5.173) 8.840 9.867 ( 0.000 7.168 5.173) 8.840 9.931 ( 0.000 5.817 -8.591) 10.375 9.931 ( 0.000 5.817 8.591) 10.375 10.186 ( 0.000 7.606 -3.227) 8.262 10.186 ( 0.000 7.606 3.227) 8.262 10.511 ( 0.000 -1.544 -3.911) 4.205 10.511 ( 0.000 -1.544 3.911) 4.205 10.949 ( 0.000 5.636 -3.450) 6.608 10.949 ( 0.000 5.636 3.450) 6.608 11.128 ( 0.000 12.175 -5.483) 13.353 11.128 ( 0.000 12.175 5.483) 13.353 11.696 ( 0.000 3.282 -0.604) 3.338 11.696 ( 0.000 3.282 0.604) 3.338 12.007 ( 0.000 -3.578 -0.077) 3.579 12.007 ( 0.000 -3.578 0.077) 3.579 12.516 ( 0.000 -3.363 -8.103) 8.773 12.516 ( 0.000 -3.363 8.103) 8.773 12.585 ( 0.000 -0.354 -2.569) 2.594 12.585 ( 0.000 -0.354 2.569) 2.594 13.064 ( 0.000 -1.328 -1.123) 1.739 13.064 ( 0.000 -1.328 1.123) 1.739 13.496 ( 0.000 -10.415 -1.712) 10.555 13.496 ( 0.000 -10.415 1.712) 10.555 13.747 ( 0.000 -17.465 -2.827) 17.693 13.747 ( 0.000 -17.465 2.827) 17.693 15.928 ( 0.000 -2.898 -0.788) 3.003 15.928 ( 0.000 -2.898 0.788) 3.003 16.471 ( 0.000 -3.332 -9.018) 9.614 16.471 ( 0.000 -3.332 9.018) 9.614 17.064 ( 0.000 -16.351 -5.579) 17.276 17.064 ( 0.000 -16.351 5.579) 17.276 17.379 ( 0.000 -23.055 -3.475) 23.315 17.379 ( 0.000 -23.055 3.475) 23.315 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 7.356 14.684 -5.463) 17.308 2.157 ( 7.356 14.684 5.463) 17.308 2.548 ( 2.643 19.603 -11.245) 22.754 2.548 ( 2.643 19.603 11.245) 22.754 2.891 ( -6.397 3.846 -2.988) 8.040 2.891 ( -6.397 3.846 2.988) 8.040 3.148 ( 1.515 7.477 -4.180) 8.699 3.148 ( 1.515 7.477 4.180) 8.699 3.345 ( 6.872 5.749 -2.299) 9.250 3.345 ( 6.872 5.749 2.299) 9.250 3.688 ( 2.634 21.765 -4.970) 22.480 3.688 ( 2.634 21.765 4.970) 22.480 3.800 ( -1.341 22.723 -5.743) 23.476 3.800 ( -1.341 22.723 5.743) 23.476 4.029 ( -1.667 5.909 -5.207) 8.050 4.029 ( -1.667 5.909 5.207) 8.050 4.231 ( -6.638 18.571 -6.762) 20.848 4.231 ( -6.638 18.571 6.762) 20.848 4.543 ( -3.773 0.369 -14.620) 15.104 4.543 ( -3.773 0.369 14.620) 15.104 4.757 ( 3.328 30.983 -10.658) 32.933 4.757 ( 3.328 30.983 10.658) 32.933 4.947 ( 10.840 24.424 -9.054) 28.214 4.947 ( 10.840 24.424 9.054) 28.214 5.326 ( -6.434 31.711 -4.524) 32.672 5.326 ( -6.434 31.711 4.524) 32.672 5.422 ( 0.276 20.216 -1.739) 20.292 5.422 ( 0.276 20.216 1.739) 20.292 5.758 ( -3.526 7.405 -7.475) 11.097 5.758 ( -3.526 7.405 7.475) 11.097 6.020 ( -13.477 0.990 -9.274) 16.389 6.020 ( -13.477 0.990 9.274) 16.389 6.255 ( 1.975 5.080 -1.912) 5.776 6.255 ( 1.975 5.080 1.912) 5.776 6.646 ( 8.051 0.751 -3.953) 9.001 6.646 ( 8.051 0.751 3.953) 9.001 6.860 ( 1.696 11.787 -4.916) 12.883 6.860 ( 1.696 11.787 4.916) 12.883 7.198 ( -1.364 -6.837 -4.940) 8.544 7.198 ( -1.364 -6.837 4.940) 8.544 8.431 ( 8.471 -8.012 -7.523) 13.875 8.431 ( 8.471 -8.012 7.523) 13.875 8.551 ( 0.674 -3.516 -8.052) 8.812 8.551 ( 0.674 -3.516 8.052) 8.812 8.762 ( -0.809 -0.673 -1.745) 2.038 8.762 ( -0.809 -0.673 1.745) 2.038 9.036 ( -3.464 3.935 -2.495) 5.806 9.036 ( -3.464 3.935 2.495) 5.806 9.710 ( 0.679 4.525 -1.364) 4.775 9.710 ( 0.679 4.525 1.364) 4.775 9.821 ( -1.840 10.482 -2.306) 10.889 9.821 ( -1.840 10.482 2.306) 10.889 10.076 ( 8.046 5.991 -4.281) 10.906 10.076 ( 8.046 5.991 4.281) 10.906 10.215 ( 3.894 6.690 -6.348) 10.010 10.215 ( 3.894 6.690 6.348) 10.010 10.484 ( -1.803 0.946 -4.619) 5.048 10.484 ( -1.803 0.946 4.619) 5.048 10.885 ( -5.114 4.770 -3.203) 7.692 10.885 ( -5.114 4.770 3.203) 7.692 11.214 ( 6.985 8.311 -3.787) 11.498 11.214 ( 6.985 8.311 3.787) 11.498 11.592 ( -9.363 2.047 -0.795) 9.617 11.592 ( -9.363 2.047 0.795) 9.617 12.010 ( 0.500 -2.676 -1.714) 3.217 12.010 ( 0.500 -2.676 1.714) 3.217 12.451 ( -7.170 -2.188 -10.341) 12.773 12.451 ( -7.170 -2.188 10.341) 12.773 12.599 ( 1.576 2.811 -3.125) 4.489 12.599 ( 1.576 2.811 3.125) 4.489 13.090 ( 3.241 -1.700 -1.252) 3.868 13.090 ( 3.241 -1.700 1.252) 3.868 13.486 ( -1.148 -11.387 -2.849) 11.794 13.486 ( -1.148 -11.387 2.849) 11.794 13.710 ( -3.334 -17.607 -2.365) 18.075 13.710 ( -3.334 -17.607 2.365) 18.075 15.971 ( 3.781 -3.677 -0.922) 5.354 15.971 ( 3.781 -3.677 0.922) 5.354 16.491 ( 1.870 -3.115 -7.819) 8.622 16.491 ( 1.870 -3.115 7.819) 8.622 17.068 ( 0.282 -16.422 -5.774) 17.409 17.068 ( 0.282 -16.422 5.774) 17.409 17.330 ( -4.361 -22.067 -3.862) 22.823 17.330 ( -4.361 -22.067 3.862) 22.823 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 10.482 10.251 -3.409) 15.052 2.349 ( 10.482 10.251 3.409) 15.052 2.563 ( -4.835 10.724 -9.069) 14.854 2.563 ( -4.835 10.724 9.069) 14.854 2.810 ( 1.372 14.175 -7.733) 16.205 2.810 ( 1.372 14.175 7.733) 16.205 3.090 ( -5.323 12.513 -8.128) 15.842 3.090 ( -5.323 12.513 8.128) 15.842 3.526 ( 8.251 2.812 -3.816) 9.516 3.526 ( 8.251 2.812 3.816) 9.516 3.721 ( -0.991 16.653 -4.588) 17.302 3.721 ( -0.991 16.653 4.588) 17.302 3.767 ( -1.556 21.291 -2.931) 21.548 3.767 ( -1.556 21.291 2.931) 21.548 3.949 ( -2.920 12.437 -1.592) 12.875 3.949 ( -2.920 12.437 1.592) 12.875 4.236 ( 5.855 5.860 -5.237) 9.800 4.236 ( 5.855 5.860 5.237) 9.800 4.415 ( -8.232 2.542 -12.140) 14.886 4.415 ( -8.232 2.542 12.140) 14.886 4.840 ( 3.577 35.695 -6.485) 36.456 4.840 ( 3.577 35.695 6.485) 36.456 5.143 ( 2.387 24.098 -5.356) 24.801 5.143 ( 2.387 24.098 5.356) 24.801 5.225 ( 3.574 31.773 -1.317) 32.001 5.225 ( 3.574 31.773 1.317) 32.001 5.401 ( -3.607 22.881 -3.315) 23.400 5.401 ( -3.607 22.881 3.315) 23.400 5.699 ( -1.771 7.031 -2.515) 7.675 5.699 ( -1.771 7.031 2.515) 7.675 5.751 ( -9.707 3.635 -6.755) 12.372 5.751 ( -9.707 3.635 6.755) 12.372 6.307 ( 1.794 6.432 -1.174) 6.780 6.307 ( 1.794 6.432 1.174) 6.780 6.764 ( 2.849 8.715 -3.372) 9.769 6.764 ( 2.849 8.715 3.372) 9.769 6.910 ( 2.922 0.102 -4.436) 5.313 6.910 ( 2.922 0.102 4.436) 5.313 7.154 ( -2.381 -5.489 -3.077) 6.728 7.154 ( -2.381 -5.489 3.077) 6.728 8.537 ( 0.639 -4.747 -3.190) 5.755 8.537 ( 0.639 -4.747 3.190) 5.755 8.620 ( 5.321 -6.327 -3.944) 9.160 8.620 ( 5.321 -6.327 3.944) 9.160 8.768 ( 1.402 0.966 -2.391) 2.935 8.768 ( 1.402 0.966 2.391) 2.935 8.945 ( -4.320 1.399 -0.803) 4.611 8.945 ( -4.320 1.399 0.803) 4.611 9.741 ( 1.391 6.803 -0.095) 6.944 9.741 ( 1.391 6.803 0.095) 6.944 9.799 ( -0.416 9.196 -1.152) 9.277 9.799 ( -0.416 9.196 1.152) 9.277 10.146 ( 0.757 3.330 -1.874) 3.896 10.146 ( 0.757 3.330 1.874) 3.896 10.309 ( 1.447 10.205 -1.185) 10.375 10.309 ( 1.447 10.205 1.185) 10.375 10.523 ( 6.480 2.509 -0.309) 6.956 10.523 ( 6.480 2.509 0.309) 6.956 10.780 ( -4.640 2.052 -2.668) 5.732 10.780 ( -4.640 2.052 2.668) 5.732 11.308 ( -1.540 1.803 -1.224) 2.668 11.308 ( -1.540 1.803 1.224) 2.668 11.433 ( -1.415 1.735 -0.550) 2.306 11.433 ( -1.415 1.735 0.551) 2.306 12.038 ( 2.260 0.583 -2.258) 3.247 12.038 ( 2.260 0.583 2.258) 3.247 12.267 ( -8.403 1.963 -3.727) 9.399 12.267 ( -8.403 1.963 3.727) 9.399 12.635 ( 1.326 2.802 -1.156) 3.309 12.635 ( 1.326 2.802 1.156) 3.309 13.177 ( 3.895 1.789 -1.649) 4.592 13.177 ( 3.895 1.789 1.649) 4.592 13.451 ( -1.848 -15.884 -2.427) 16.174 13.451 ( -1.848 -15.884 2.427) 16.174 13.643 ( -2.373 -17.440 -1.302) 17.649 13.643 ( -2.373 -17.440 1.302) 17.649 16.043 ( 2.375 -5.089 -0.527) 5.641 16.043 ( 2.375 -5.089 0.527) 5.641 16.531 ( 1.526 -2.387 -3.463) 4.474 16.531 ( 1.526 -2.387 3.463) 4.474 17.071 ( -0.046 -16.980 -3.647) 17.368 17.071 ( -0.046 -16.980 3.647) 17.368 17.245 ( -2.909 -20.292 -2.692) 20.675 17.245 ( -2.909 -20.292 2.692) 20.675 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 14.631 -3.010) 14.937 2.388 ( 0.000 14.631 3.010) 14.937 2.902 ( 0.000 14.807 -7.396) 16.551 2.902 ( 0.000 14.807 7.396) 16.551 2.994 ( 0.000 1.160 -0.879) 1.455 2.994 ( 0.000 1.160 0.879) 1.455 3.124 ( 0.000 2.266 -1.721) 2.846 3.124 ( 0.000 2.266 1.721) 2.846 3.569 ( 0.000 15.970 -1.128) 16.010 3.569 ( 0.000 15.970 1.128) 16.010 3.928 ( 0.000 8.330 -10.073) 13.071 3.928 ( 0.000 8.330 10.073) 13.071 4.130 ( 0.000 13.485 -7.324) 15.346 4.130 ( 0.000 13.485 7.324) 15.346 4.397 ( 0.000 19.075 -2.002) 19.180 4.397 ( 0.000 19.075 2.002) 19.180 4.583 ( 0.000 3.627 -4.671) 5.914 4.583 ( 0.000 3.627 4.671) 5.914 4.687 ( 0.000 8.951 -3.942) 9.781 4.687 ( 0.000 8.951 3.942) 9.781 4.811 ( 0.000 4.282 -6.626) 7.889 4.811 ( 0.000 4.282 6.626) 7.889 5.531 ( 0.000 18.921 -0.490) 18.927 5.531 ( 0.000 18.921 0.490) 18.927 5.695 ( 0.000 0.058 -6.697) 6.698 5.695 ( 0.000 0.058 6.697) 6.698 5.765 ( 0.000 20.273 -14.770) 25.083 5.765 ( 0.000 20.273 14.770) 25.083 6.016 ( 0.000 3.901 -5.401) 6.662 6.016 ( 0.000 3.901 5.401) 6.662 6.214 ( 0.000 23.840 -1.521) 23.888 6.214 ( 0.000 23.840 1.521) 23.888 6.483 ( 0.000 7.179 -6.565) 9.729 6.483 ( 0.000 7.179 6.565) 9.729 6.675 ( 0.000 16.963 -2.946) 17.217 6.675 ( 0.000 16.963 2.946) 17.217 7.086 ( 0.000 7.738 -3.283) 8.406 7.086 ( 0.000 7.738 3.283) 8.406 7.302 ( 0.000 21.205 -1.730) 21.275 7.302 ( 0.000 21.205 1.730) 21.275 8.177 ( 0.000 -6.278 -5.786) 8.537 8.177 ( 0.000 -6.278 5.786) 8.537 8.450 ( 0.000 -6.505 -6.749) 9.374 8.450 ( 0.000 -6.505 6.749) 9.374 8.758 ( 0.000 1.275 -0.544) 1.386 8.758 ( 0.000 1.275 0.544) 1.386 9.117 ( 0.000 -0.603 -2.039) 2.126 9.117 ( 0.000 -0.603 2.039) 2.126 9.763 ( 0.000 1.332 -4.132) 4.342 9.763 ( 0.000 1.332 4.132) 4.342 9.960 ( 0.000 -2.305 -6.438) 6.838 9.960 ( 0.000 -2.305 6.438) 6.838 9.993 ( 0.000 0.053 -12.086) 12.086 9.993 ( 0.000 0.053 12.086) 12.086 10.247 ( 0.000 4.011 -0.890) 4.108 10.247 ( 0.000 4.011 0.890) 4.108 10.624 ( 0.000 10.469 -6.713) 12.436 10.624 ( 0.000 10.469 6.713) 12.436 11.098 ( 0.000 8.104 -4.821) 9.430 11.098 ( 0.000 8.104 4.821) 9.430 11.366 ( 0.000 10.934 -0.769) 10.961 11.366 ( 0.000 10.934 0.769) 10.961 11.754 ( 0.000 2.816 -3.804) 4.733 11.754 ( 0.000 2.816 3.804) 4.733 11.997 ( 0.000 1.760 -1.169) 2.113 11.997 ( 0.000 1.760 1.169) 2.113 12.341 ( 0.000 -13.853 -12.058) 18.366 12.341 ( 0.000 -13.853 12.058) 18.366 12.608 ( 0.000 1.669 -1.061) 1.978 12.608 ( 0.000 1.669 1.061) 1.978 12.990 ( 0.000 -4.353 -2.323) 4.933 12.990 ( 0.000 -4.353 2.323) 4.933 13.369 ( 0.000 -9.550 -0.720) 9.577 13.369 ( 0.000 -9.550 0.720) 9.577 13.386 ( 0.000 -12.223 -5.752) 13.509 13.386 ( 0.000 -12.223 5.752) 13.509 15.864 ( 0.000 -3.431 -3.113) 4.632 15.864 ( 0.000 -3.431 3.113) 4.632 16.377 ( 0.000 -6.029 -7.561) 9.670 16.377 ( 0.000 -6.029 7.561) 9.670 16.738 ( 0.000 -16.805 -3.502) 17.166 16.738 ( 0.000 -16.805 3.502) 17.166 16.960 ( 0.000 -18.527 -3.786) 18.910 16.960 ( 0.000 -18.527 3.786) 18.910 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 4.393 13.224 -2.084) 14.089 2.434 ( 4.393 13.224 2.084) 14.089 2.864 ( -3.936 10.042 -7.240) 12.990 2.864 ( -3.936 10.042 7.240) 12.990 2.985 ( 1.299 7.262 -2.354) 7.744 2.985 ( 1.299 7.262 2.354) 7.744 3.218 ( 6.135 0.907 -4.684) 7.772 3.218 ( 6.135 0.907 4.684) 7.772 3.559 ( -0.204 14.854 -2.085) 15.001 3.559 ( -0.204 14.854 2.085) 15.001 3.969 ( 4.452 6.929 -11.713) 14.319 3.969 ( 4.452 6.929 11.713) 14.319 4.123 ( -4.008 11.993 -3.843) 13.216 4.123 ( -4.008 11.993 3.843) 13.216 4.286 ( -6.464 16.185 -4.334) 17.959 4.286 ( -6.464 16.185 4.334) 17.959 4.498 ( -5.999 8.359 -7.200) 12.558 4.498 ( -5.999 8.359 7.200) 12.558 4.626 ( -2.237 12.510 -10.856) 16.714 4.626 ( -2.237 12.510 10.856) 16.714 5.005 ( 11.823 3.021 -4.245) 12.920 5.005 ( 11.823 3.021 4.245) 12.920 5.527 ( -0.942 12.865 -4.599) 13.694 5.527 ( -0.942 12.865 4.599) 13.694 5.669 ( -4.006 0.444 -9.938) 10.724 5.669 ( -4.006 0.444 9.938) 10.724 5.748 ( -0.376 16.005 -10.888) 19.361 5.748 ( -0.376 16.005 10.888) 19.361 5.961 ( -2.786 17.090 -5.550) 18.184 5.961 ( -2.786 17.090 5.550) 18.184 6.184 ( -3.316 21.103 -3.230) 21.605 6.184 ( -3.316 21.103 3.230) 21.605 6.557 ( 4.982 16.108 -5.781) 17.824 6.557 ( 4.982 16.108 5.781) 17.824 6.706 ( 3.975 8.484 -2.832) 9.788 6.706 ( 3.975 8.484 2.832) 9.788 7.074 ( -1.616 7.308 -4.842) 8.914 7.074 ( -1.616 7.308 4.842) 8.914 7.292 ( -0.711 21.408 -1.383) 21.465 7.292 ( -0.711 21.408 1.383) 21.465 8.271 ( 8.196 -7.268 -6.434) 12.704 8.271 ( 8.196 -7.268 6.434) 12.704 8.456 ( 0.548 -5.227 -6.797) 8.591 8.456 ( 0.548 -5.227 6.797) 8.591 8.768 ( 1.003 1.121 -0.911) 1.759 8.768 ( 1.003 1.121 0.911) 1.759 9.061 ( -5.131 -0.612 -1.285) 5.324 9.061 ( -5.131 -0.612 1.285) 5.324 9.758 ( 1.329 1.841 -3.491) 4.164 9.758 ( 1.329 1.841 3.491) 4.164 9.937 ( -1.695 0.291 -2.603) 3.120 9.937 ( -1.695 0.291 2.603) 3.120 10.096 ( 5.781 -4.766 -8.766) 11.531 10.096 ( 5.781 -4.766 8.766) 11.531 10.295 ( 6.162 5.839 -2.929) 8.980 10.295 ( 6.162 5.839 2.929) 8.980 10.624 ( -0.054 10.367 -6.646) 12.314 10.624 ( -0.054 10.367 6.646) 12.314 10.993 ( -8.938 5.485 -3.841) 11.168 10.993 ( -8.938 5.485 3.841) 11.168 11.400 ( 2.551 9.086 -0.613) 9.458 11.400 ( 2.551 9.086 0.613) 9.458 11.632 ( -10.362 2.451 -3.159) 11.107 11.632 ( -10.362 2.451 3.159) 11.107 12.018 ( 2.252 2.739 -3.744) 5.157 12.018 ( 2.252 2.739 3.744) 5.157 12.359 ( 0.415 -8.044 -10.308) 13.082 12.359 ( 0.415 -8.044 10.308) 13.082 12.658 ( 3.600 2.610 -1.375) 4.654 12.658 ( 3.600 2.610 1.375) 4.654 12.968 ( -0.540 -7.617 -2.546) 8.049 12.968 ( -0.540 -7.617 2.546) 8.049 13.327 ( -4.454 -14.714 -2.223) 15.533 13.327 ( -4.454 -14.714 2.223) 15.533 13.376 ( -0.634 -6.940 -2.732) 7.485 13.376 ( -0.634 -6.940 2.732) 7.485 15.890 ( 2.238 -4.338 -2.514) 5.491 15.890 ( 2.238 -4.338 2.514) 5.491 16.401 ( 2.340 -5.977 -6.017) 8.798 16.401 ( 2.340 -5.977 6.017) 8.798 16.746 ( 0.524 -16.396 -4.208) 16.936 16.746 ( 0.524 -16.396 4.208) 16.936 16.924 ( -3.236 -18.027 -4.326) 18.819 16.924 ( -3.236 -18.027 4.326) 18.819 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 5.598 9.511 -1.209) 11.102 2.544 ( 5.598 9.511 1.209) 11.102 2.753 ( -5.823 8.462 -4.069) 11.048 2.753 ( -5.823 8.462 4.069) 11.048 3.073 ( 6.076 11.143 -6.267) 14.155 3.073 ( 6.076 11.143 6.267) 14.155 3.252 ( -3.121 3.763 -7.869) 9.264 3.252 ( -3.121 3.763 7.869) 9.264 3.628 ( 7.225 9.018 -0.913) 11.591 3.628 ( 7.225 9.018 0.913) 11.591 3.902 ( -11.926 7.237 -1.099) 13.993 3.902 ( -11.926 7.237 1.099) 13.993 4.109 ( 7.075 7.316 -7.567) 12.682 4.109 ( 7.075 7.316 7.567) 12.682 4.263 ( -0.018 17.025 -3.561) 17.394 4.263 ( -0.018 17.025 3.561) 17.394 4.380 ( -4.819 11.556 -5.874) 13.830 4.380 ( -4.819 11.556 5.874) 13.830 4.580 ( -1.849 14.704 -4.879) 15.603 4.580 ( -1.849 14.704 4.879) 15.603 5.225 ( 10.107 3.804 -4.337) 11.638 5.225 ( 10.107 3.804 4.337) 11.638 5.424 ( -8.983 3.830 -4.568) 10.781 5.424 ( -8.983 3.830 4.568) 10.781 5.641 ( 2.425 5.461 -14.865) 16.021 5.641 ( 2.425 5.461 14.865) 16.021 5.712 ( -3.430 3.886 -13.978) 14.908 5.712 ( -3.430 3.886 13.978) 14.908 5.977 ( 4.091 30.935 -8.183) 32.260 5.977 ( 4.091 30.935 8.183) 32.260 6.086 ( -5.835 28.071 -6.622) 29.426 6.086 ( -5.835 28.071 6.622) 29.426 6.622 ( 1.520 19.008 -2.404) 19.220 6.622 ( 1.520 19.008 2.404) 19.220 6.830 ( 6.421 -1.108 -2.399) 6.943 6.830 ( 6.421 -1.108 2.399) 6.943 7.013 ( -3.936 10.472 -3.952) 11.865 7.013 ( -3.936 10.472 3.952) 11.865 7.281 ( -0.361 21.052 -0.533) 21.062 7.281 ( -0.361 21.052 0.533) 21.062 8.413 ( 2.819 -7.081 -4.211) 8.707 8.413 ( 2.819 -7.081 4.211) 8.707 8.494 ( 4.290 -5.598 -4.347) 8.285 8.494 ( 4.290 -5.598 4.347) 8.285 8.774 ( -1.149 0.447 -4.154) 4.333 8.774 ( -1.149 0.447 4.154) 4.333 8.962 ( -2.993 0.526 -1.655) 3.461 8.962 ( -2.993 0.526 1.655) 3.461 9.821 ( 3.753 2.119 -1.941) 4.727 9.821 ( 3.753 2.119 1.941) 4.727 9.903 ( -1.790 1.026 -2.438) 3.194 9.903 ( -1.790 1.026 2.438) 3.194 10.138 ( -0.183 -3.214 -2.767) 4.245 10.138 ( -0.183 -3.214 2.767) 4.245 10.473 ( 7.082 5.187 -5.164) 10.185 10.473 ( 7.082 5.187 5.164) 10.185 10.635 ( 2.461 8.180 -4.783) 9.790 10.635 ( 2.461 8.180 4.783) 9.790 10.815 ( -7.402 1.666 -3.155) 8.217 10.815 ( -7.402 1.666 3.155) 8.217 11.366 ( -6.609 4.104 -1.759) 7.976 11.366 ( -6.609 4.104 1.759) 7.976 11.501 ( 0.142 4.488 -0.099) 4.491 11.501 ( 0.142 4.488 0.099) 4.491 12.086 ( 3.775 3.703 -3.043) 6.101 12.086 ( 3.775 3.703 3.043) 6.101 12.316 ( -3.877 1.945 -3.469) 5.554 12.316 ( -3.877 1.945 3.469) 5.554 12.704 ( 0.923 3.908 -1.202) 4.192 12.704 ( 0.923 3.908 1.202) 4.192 13.031 ( 6.265 -14.614 -1.212) 15.946 13.031 ( 6.265 -14.614 1.212) 15.946 13.203 ( -7.239 -14.023 -1.271) 15.832 13.203 ( -7.239 -14.023 1.271) 15.832 13.365 ( -0.353 -6.327 -0.889) 6.399 13.365 ( -0.353 -6.327 0.889) 6.399 15.931 ( 1.347 -5.831 -0.951) 6.060 15.931 ( 1.347 -5.831 0.951) 6.060 16.455 ( 2.164 -5.829 -2.304) 6.631 16.455 ( 2.164 -5.829 2.304) 6.631 16.749 ( -0.226 -15.364 -3.338) 15.724 16.749 ( -0.226 -15.364 3.338) 15.724 16.860 ( -2.165 -17.623 -3.309) 18.061 16.860 ( -2.165 -17.623 3.309) 18.061 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 11.771 -1.601) 11.880 2.649 ( 0.000 11.771 1.601) 11.880 3.005 ( 0.000 0.859 -1.734) 1.935 3.005 ( 0.000 0.859 1.734) 1.935 3.091 ( 0.000 4.113 -4.999) 6.473 3.091 ( 0.000 4.113 4.999) 6.473 3.190 ( 0.000 4.080 -3.444) 5.339 3.190 ( 0.000 4.080 3.444) 5.339 3.881 ( 0.000 14.085 -3.237) 14.452 3.881 ( 0.000 14.085 3.237) 14.452 4.105 ( 0.000 10.706 -8.745) 13.824 4.105 ( 0.000 10.706 8.745) 13.824 4.294 ( 0.000 4.718 -10.242) 11.276 4.294 ( 0.000 4.718 10.242) 11.276 4.650 ( 0.000 2.261 -4.279) 4.840 4.650 ( 0.000 2.261 4.279) 4.840 4.678 ( 0.000 5.463 -5.759) 7.938 4.678 ( 0.000 5.463 5.759) 7.938 4.786 ( 0.000 6.475 -6.806) 9.394 4.786 ( 0.000 6.475 6.806) 9.394 4.985 ( 0.000 11.014 -4.669) 11.963 4.985 ( 0.000 11.014 4.669) 11.963 5.588 ( 0.000 -1.776 -1.631) 2.411 5.588 ( 0.000 -1.776 1.631) 2.411 5.663 ( 0.000 -0.424 -10.192) 10.201 5.663 ( 0.000 -0.424 10.192) 10.201 5.855 ( 0.000 -6.210 -0.435) 6.225 5.855 ( 0.000 -6.210 0.435) 6.225 6.293 ( 0.000 6.279 -4.898) 7.963 6.293 ( 0.000 6.279 4.898) 7.963 6.571 ( 0.000 4.306 -2.883) 5.182 6.571 ( 0.000 4.306 2.883) 5.182 6.705 ( 0.000 24.685 -3.854) 24.984 6.705 ( 0.000 24.685 3.854) 24.984 7.032 ( 0.000 21.116 -1.070) 21.143 7.032 ( 0.000 21.116 1.070) 21.143 7.444 ( 0.000 24.873 -3.258) 25.085 7.444 ( 0.000 24.873 3.258) 25.085 7.751 ( 0.000 20.079 -1.477) 20.133 7.751 ( 0.000 20.079 1.477) 20.133 8.106 ( 0.000 -0.210 -3.542) 3.548 8.106 ( 0.000 -0.210 3.542) 3.548 8.359 ( 0.000 -1.081 -2.756) 2.961 8.359 ( 0.000 -1.081 2.756) 2.961 8.801 ( 0.000 2.599 -0.592) 2.666 8.801 ( 0.000 2.599 0.592) 2.666 9.069 ( 0.000 -3.635 -1.888) 4.096 9.069 ( 0.000 -3.635 1.888) 4.096 9.822 ( 0.000 4.066 -7.426) 8.466 9.822 ( 0.000 4.066 7.426) 8.466 9.873 ( 0.000 -5.703 -5.479) 7.909 9.873 ( 0.000 -5.703 5.479) 7.909 9.909 ( 0.000 -4.011 -6.963) 8.035 9.909 ( 0.000 -4.011 6.963) 8.035 10.389 ( 0.000 8.097 -0.927) 8.150 10.389 ( 0.000 8.097 0.927) 8.150 10.818 ( 0.000 8.394 -8.120) 11.679 10.818 ( 0.000 8.394 8.120) 11.679 11.216 ( 0.000 2.787 -5.524) 6.187 11.216 ( 0.000 2.787 5.524) 6.187 11.520 ( 0.000 3.904 -1.881) 4.334 11.520 ( 0.000 3.904 1.881) 4.334 11.807 ( 0.000 1.594 -4.977) 5.226 11.807 ( 0.000 1.594 4.977) 5.226 11.982 ( 0.000 -9.091 -1.068) 9.154 11.982 ( 0.000 -9.091 1.068) 9.154 12.108 ( 0.000 -1.076 -4.296) 4.429 12.108 ( 0.000 -1.076 4.296) 4.429 12.600 ( 0.000 -4.559 -2.614) 5.255 12.600 ( 0.000 -4.559 2.614) 5.255 12.897 ( 0.000 -6.538 -0.155) 6.540 12.897 ( 0.000 -6.538 0.155) 6.540 13.088 ( 0.000 -6.873 -1.316) 6.998 13.088 ( 0.000 -6.873 1.316) 6.998 13.343 ( 0.000 -1.219 -5.483) 5.617 13.343 ( 0.000 -1.219 5.483) 5.617 15.801 ( 0.000 -2.761 -5.212) 5.898 15.801 ( 0.000 -2.761 5.212) 5.898 16.242 ( 0.000 -7.361 -6.016) 9.506 16.242 ( 0.000 -7.361 6.016) 9.506 16.408 ( 0.000 -16.114 -0.458) 16.121 16.408 ( 0.000 -16.114 0.458) 16.121 16.678 ( 0.000 -10.403 -2.662) 10.738 16.678 ( 0.000 -10.403 2.662) 10.738 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 1.988 10.646 -0.810) 10.860 2.670 ( 1.988 10.646 0.810) 10.860 2.962 ( -3.153 2.652 -2.544) 4.842 2.962 ( -3.153 2.652 2.544) 4.842 3.139 ( 3.006 5.597 -5.714) 8.544 3.139 ( 3.006 5.597 5.714) 8.544 3.222 ( 3.308 0.029 -2.379) 4.075 3.222 ( 3.308 0.029 2.379) 4.075 3.862 ( -2.033 14.117 -2.433) 14.469 3.862 ( -2.033 14.117 2.433) 14.469 4.100 ( 2.361 7.699 -10.099) 12.917 4.100 ( 2.361 7.699 10.099) 12.917 4.285 ( -6.424 6.489 -4.586) 10.218 4.285 ( -6.424 6.489 4.586) 10.218 4.515 ( -2.949 7.250 -3.180) 8.448 4.515 ( -2.949 7.250 3.180) 8.448 4.669 ( -0.884 7.799 -7.456) 10.826 4.669 ( -0.884 7.799 7.456) 10.826 4.910 ( 1.670 12.055 -4.232) 12.885 4.910 ( 1.670 12.055 4.232) 12.885 5.024 ( 7.434 1.406 -5.940) 9.619 5.024 ( 7.434 1.406 5.940) 9.619 5.566 ( -2.498 -0.984 -3.336) 4.282 5.566 ( -2.498 -0.984 3.336) 4.282 5.610 ( -4.822 -2.782 -13.324) 14.441 5.610 ( -4.822 -2.782 13.324) 14.441 5.814 ( -2.751 -3.084 -5.391) 6.793 5.814 ( -2.751 -3.084 5.391) 6.793 6.362 ( 5.306 5.477 -4.013) 8.617 6.362 ( 5.306 5.477 4.013) 8.617 6.530 ( -2.310 8.512 -4.231) 9.782 6.530 ( -2.310 8.512 4.231) 9.782 6.778 ( 5.138 18.473 -3.053) 19.415 6.778 ( 5.138 18.473 3.053) 19.415 7.009 ( -2.118 21.477 -1.755) 21.653 7.009 ( -2.118 21.477 1.755) 21.653 7.456 ( 1.073 26.086 -2.726) 26.250 7.456 ( 1.073 26.086 2.726) 26.250 7.744 ( -0.707 20.631 -1.145) 20.675 7.744 ( -0.707 20.631 1.145) 20.675 8.173 ( 6.036 -1.930 -4.137) 7.568 8.173 ( 6.036 -1.930 4.137) 7.568 8.387 ( 2.120 -0.693 -3.939) 4.527 8.387 ( 2.120 -0.693 3.939) 4.527 8.804 ( 0.486 2.549 -1.119) 2.825 8.804 ( 0.486 2.549 1.119) 2.825 9.034 ( -3.134 -1.865 -0.608) 3.697 9.034 ( -3.134 -1.865 0.608) 3.697 9.812 ( 0.002 3.909 -6.275) 7.393 9.812 ( 0.002 3.909 6.275) 7.393 9.881 ( -0.806 -4.228 -2.992) 5.242 9.881 ( -0.806 -4.228 2.992) 5.242 9.966 ( 5.949 -6.978 -8.301) 12.369 9.966 ( 5.949 -6.978 8.301) 12.369 10.438 ( 4.303 7.166 -2.076) 8.612 10.438 ( 4.303 7.166 2.076) 8.612 10.793 ( -2.827 5.754 -7.443) 9.823 10.793 ( -2.827 5.754 7.443) 9.823 11.076 ( -10.394 3.204 -4.576) 11.800 11.076 ( -10.394 3.204 4.576) 11.800 11.528 ( 0.424 3.259 -0.923) 3.414 11.528 ( 0.424 3.259 0.923) 3.414 11.694 ( -9.913 3.639 -4.945) 11.660 11.694 ( -9.913 3.639 4.945) 11.660 12.051 ( 5.275 -4.510 -6.056) 9.211 12.051 ( 5.275 -4.510 6.056) 9.211 12.177 ( 6.202 -4.362 -5.721) 9.498 12.177 ( 6.202 -4.362 5.721) 9.498 12.658 ( 4.605 -4.848 -5.080) 8.397 12.658 ( 4.605 -4.848 5.080) 8.397 12.863 ( -2.975 -3.890 -2.138) 5.344 12.863 ( -2.975 -3.890 2.138) 5.344 13.043 ( -4.256 -7.566 -1.017) 8.741 13.043 ( -4.256 -7.566 1.017) 8.741 13.321 ( -1.859 -2.375 -4.911) 5.763 13.321 ( -1.859 -2.375 4.911) 5.763 15.812 ( 0.915 -3.396 -3.907) 5.257 15.812 ( 0.915 -3.396 3.907) 5.257 16.257 ( 1.235 -8.722 -3.835) 9.608 16.257 ( 1.235 -8.722 3.835) 9.608 16.429 ( 2.053 -14.706 -3.491) 15.253 16.429 ( 2.053 -14.706 3.491) 15.253 16.654 ( -2.276 -9.762 -3.054) 10.479 16.654 ( -2.276 -9.762 3.054) 10.479 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 2.139 7.959 -0.631) 8.265 2.717 ( 2.139 7.959 0.631) 8.265 2.894 ( -2.858 5.945 -1.952) 6.879 2.894 ( -2.858 5.945 1.952) 6.879 3.212 ( 4.073 2.728 -6.897) 8.462 3.212 ( 4.073 2.728 6.897) 8.462 3.267 ( -0.190 -0.706 -6.447) 6.488 3.267 ( -0.190 -0.706 6.447) 6.488 3.860 ( 3.135 12.454 -1.613) 12.943 3.860 ( 3.135 12.454 1.613) 12.943 4.061 ( -10.271 8.542 -4.910) 14.233 4.061 ( -10.271 8.542 4.910) 14.233 4.208 ( 4.635 6.579 -6.280) 10.208 4.208 ( 4.635 6.579 6.280) 10.208 4.484 ( -2.496 7.836 -4.332) 9.295 4.484 ( -2.496 7.836 4.332) 9.295 4.681 ( 1.768 13.845 -4.186) 14.571 4.681 ( 1.768 13.845 4.186) 14.571 4.880 ( -1.989 13.057 -2.620) 13.465 4.880 ( -1.989 13.057 2.620) 13.465 5.216 ( 9.694 -2.504 -3.819) 10.716 5.216 ( 9.694 -2.504 3.819) 10.716 5.424 ( -9.191 -1.076 -3.401) 9.859 5.424 ( -9.191 -1.076 3.401) 9.859 5.581 ( 0.428 -4.026 -7.196) 8.257 5.581 ( 0.428 -4.026 7.196) 8.257 5.765 ( -1.848 0.228 -5.878) 6.166 5.765 ( -1.848 0.228 5.878) 6.166 6.450 ( 2.604 7.097 -3.652) 8.396 6.450 ( 2.604 7.097 3.652) 8.396 6.503 ( -0.400 5.814 -3.920) 7.023 6.503 ( -0.400 5.814 3.920) 7.023 6.865 ( 2.939 17.059 -1.494) 17.375 6.865 ( 2.939 17.059 1.494) 17.375 6.962 ( -2.016 20.649 -1.332) 20.790 6.962 ( -2.016 20.649 1.332) 20.790 7.480 ( 0.939 28.494 -1.115) 28.531 7.480 ( 0.939 28.494 1.115) 28.531 7.728 ( -0.652 20.794 -0.439) 20.809 7.728 ( -0.652 20.794 0.439) 20.809 8.300 ( 5.074 -3.230 -4.235) 7.356 8.300 ( 5.074 -3.230 4.235) 7.356 8.413 ( 0.133 -2.081 -4.699) 5.141 8.413 ( 0.133 -2.081 4.699) 5.141 8.815 ( 0.283 3.942 -3.476) 5.263 8.815 ( 0.283 3.942 3.476) 5.263 8.971 ( -2.138 0.493 -2.159) 3.079 8.971 ( -2.138 0.493 2.159) 3.079 9.839 ( 2.294 -0.189 -4.141) 4.738 9.839 ( 2.294 -0.189 4.141) 4.738 9.873 ( -0.256 -2.317 -3.795) 4.454 9.873 ( -0.256 -2.317 3.795) 4.454 10.058 ( 2.013 -4.758 -4.050) 6.565 10.058 ( 2.013 -4.758 4.050) 6.565 10.513 ( 1.246 -1.818 -1.855) 2.881 10.513 ( 1.246 -1.818 1.855) 2.881 10.746 ( 1.463 2.429 -3.589) 4.574 10.746 ( 1.463 2.429 3.589) 4.574 10.901 ( -6.976 8.630 -3.873) 11.753 10.901 ( -6.976 8.630 3.873) 11.753 11.472 ( -5.721 6.339 -1.424) 8.657 11.472 ( -5.721 6.339 1.424) 8.657 11.568 ( -0.578 1.315 -1.436) 2.031 11.568 ( -0.578 1.315 1.436) 2.031 12.139 ( 2.875 -0.272 -4.135) 5.044 12.139 ( 2.875 -0.272 4.135) 5.044 12.295 ( 3.773 -4.372 -3.078) 6.544 12.295 ( 3.773 -4.372 3.078) 6.544 12.724 ( 0.592 -6.411 -3.450) 7.304 12.724 ( 0.592 -6.411 3.450) 7.304 12.832 ( 1.973 -0.680 -1.891) 2.817 12.832 ( 1.973 -0.680 1.891) 2.817 12.938 ( -5.533 -8.077 -0.352) 9.797 12.938 ( -5.533 -8.077 0.352) 9.797 13.288 ( -1.019 -4.157 -2.102) 4.769 13.288 ( -1.019 -4.157 2.102) 4.769 15.829 ( 0.569 -4.308 -1.331) 4.545 15.829 ( 0.569 -4.308 1.331) 4.545 16.279 ( 0.728 -11.949 -1.015) 12.014 16.279 ( 0.728 -11.949 1.015) 12.014 16.480 ( 2.420 -11.254 -3.677) 12.084 16.480 ( 2.420 -11.254 3.677) 12.084 16.600 ( -2.558 -8.999 -2.860) 9.783 16.600 ( -2.558 -8.999 2.860) 9.783 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 8.186 -0.176) 8.188 2.846 ( 0.000 8.186 0.176) 8.188 3.018 ( 0.000 0.402 -1.868) 1.911 3.018 ( 0.000 0.402 1.868) 1.911 3.140 ( 0.000 1.769 -1.130) 2.099 3.140 ( 0.000 1.769 1.130) 2.099 3.241 ( 0.000 0.915 -4.134) 4.234 3.241 ( 0.000 0.915 4.134) 4.234 4.097 ( 0.000 8.701 -3.560) 9.401 4.097 ( 0.000 8.701 3.560) 9.401 4.287 ( 0.000 5.245 -5.370) 7.507 4.287 ( 0.000 5.245 5.370) 7.507 4.402 ( 0.000 5.883 -7.919) 9.866 4.402 ( 0.000 5.883 7.919) 9.866 4.646 ( 0.000 1.570 -0.411) 1.623 4.646 ( 0.000 1.570 0.411) 1.623 4.669 ( 0.000 -5.509 -4.582) 7.166 4.669 ( 0.000 -5.509 4.582) 7.166 4.945 ( 0.000 7.763 -2.066) 8.033 4.945 ( 0.000 7.763 2.066) 8.033 5.184 ( 0.000 8.821 -0.789) 8.856 5.184 ( 0.000 8.821 0.789) 8.856 5.563 ( 0.000 -2.473 -11.860) 12.115 5.563 ( 0.000 -2.473 11.860) 12.115 5.659 ( 0.000 -3.293 -1.881) 3.792 5.659 ( 0.000 -3.293 1.881) 3.792 5.780 ( 0.000 3.824 -7.656) 8.558 5.780 ( 0.000 3.824 7.656) 8.558 6.245 ( 0.000 -6.305 -4.089) 7.515 6.245 ( 0.000 -6.305 4.089) 7.515 6.540 ( 0.000 -5.045 -1.014) 5.146 6.540 ( 0.000 -5.045 1.014) 5.146 7.202 ( 0.000 20.956 -0.392) 20.960 7.202 ( 0.000 20.956 0.392) 20.960 7.407 ( 0.000 14.268 -2.039) 14.413 7.407 ( 0.000 14.268 2.039) 14.413 7.871 ( 0.000 16.167 -2.045) 16.296 7.871 ( 0.000 16.167 2.045) 16.296 7.980 ( 0.000 5.400 -0.580) 5.431 7.980 ( 0.000 5.400 0.580) 5.431 8.238 ( 0.000 12.129 -0.816) 12.157 8.238 ( 0.000 12.129 0.816) 12.157 8.427 ( 0.000 6.541 -0.714) 6.579 8.427 ( 0.000 6.541 0.714) 6.579 8.841 ( 0.000 1.155 -0.175) 1.168 8.841 ( 0.000 1.155 0.175) 1.168 9.000 ( 0.000 -2.876 -1.483) 3.236 9.000 ( 0.000 -2.876 1.483) 3.236 9.762 ( 0.000 -4.913 -3.085) 5.801 9.762 ( 0.000 -4.913 3.085) 5.801 9.796 ( 0.000 -3.092 -4.811) 5.719 9.796 ( 0.000 -3.092 4.811) 5.719 10.013 ( 0.000 10.650 -8.208) 13.446 10.013 ( 0.000 10.650 8.208) 13.446 10.536 ( 0.000 6.792 -0.680) 6.826 10.536 ( 0.000 6.792 0.680) 6.826 10.927 ( 0.000 1.247 -9.797) 9.876 10.927 ( 0.000 1.247 9.797) 9.876 11.184 ( 0.000 -5.256 -6.076) 8.034 11.184 ( 0.000 -5.256 6.076) 8.034 11.506 ( 0.000 -3.986 -2.212) 4.558 11.506 ( 0.000 -3.986 2.212) 4.558 11.717 ( 0.000 -6.200 -5.852) 8.525 11.717 ( 0.000 -6.200 5.852) 8.525 11.954 ( 0.000 4.810 -8.436) 9.711 11.954 ( 0.000 4.810 8.436) 9.711 12.156 ( 0.000 2.735 -0.259) 2.747 12.156 ( 0.000 2.735 0.259) 2.747 12.410 ( 0.000 -11.856 -7.763) 14.172 12.410 ( 0.000 -11.856 7.763) 14.172 12.790 ( 0.000 -3.697 -7.950) 8.768 12.790 ( 0.000 -3.697 7.950) 8.768 13.085 ( 0.000 3.636 -1.546) 3.951 13.085 ( 0.000 3.636 1.546) 3.951 13.315 ( 0.000 -1.916 -6.293) 6.578 13.315 ( 0.000 -1.916 6.293) 6.578 15.761 ( 0.000 -1.303 -5.927) 6.069 15.761 ( 0.000 -1.303 5.927) 6.069 16.085 ( 0.000 -9.226 -2.721) 9.619 16.085 ( 0.000 -9.226 2.721) 9.619 16.160 ( 0.000 -7.523 -1.474) 7.666 16.160 ( 0.000 -7.523 1.474) 7.666 16.525 ( 0.000 -5.667 -1.977) 6.002 16.525 ( 0.000 -5.667 1.977) 6.002 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.261 7.459 -0.387) 7.473 2.849 ( 0.261 7.459 0.387) 7.473 3.001 ( -1.036 1.433 -1.851) 2.560 3.001 ( -1.036 1.433 1.851) 2.560 3.183 ( 2.828 0.127 -3.578) 4.562 3.183 ( 2.828 0.127 3.578) 4.562 3.234 ( -0.174 0.557 -3.710) 3.755 3.234 ( -0.174 0.557 3.710) 3.755 4.074 ( -2.106 8.225 -2.470) 8.843 4.074 ( -2.106 8.225 2.470) 8.843 4.252 ( -0.251 6.463 -4.931) 8.133 4.252 ( -0.251 6.463 4.931) 8.133 4.447 ( -1.510 8.735 -5.042) 10.198 4.447 ( -1.510 8.735 5.042) 10.198 4.586 ( -1.631 -0.178 -1.698) 2.362 4.586 ( -1.631 -0.178 1.698) 2.362 4.715 ( 4.700 -1.249 -7.752) 9.151 4.715 ( 4.700 -1.249 7.752) 9.151 5.028 ( 6.243 3.332 -3.419) 7.859 5.028 ( 6.243 3.332 3.419) 7.859 5.148 ( -3.219 8.031 -1.668) 8.811 5.148 ( -3.219 8.031 1.668) 8.811 5.544 ( -3.230 -2.521 -7.428) 8.483 5.544 ( -3.230 -2.521 7.428) 8.483 5.597 ( -3.549 0.348 -3.938) 5.312 5.597 ( -3.549 0.348 3.938) 5.312 5.783 ( -0.138 2.944 -7.712) 8.256 5.783 ( -0.138 2.944 7.712) 8.256 6.290 ( 3.649 -7.401 -3.124) 8.823 6.290 ( 3.649 -7.401 3.124) 8.823 6.519 ( -1.854 -5.186 -1.238) 5.645 6.519 ( -1.854 -5.186 1.238) 5.645 7.230 ( 2.563 20.152 -0.680) 20.326 7.230 ( 2.563 20.152 0.680) 20.326 7.395 ( -1.240 14.978 -1.942) 15.155 7.395 ( -1.240 14.978 1.942) 15.155 7.895 ( 2.284 16.231 -1.989) 16.511 7.895 ( 2.284 16.231 1.989) 16.511 8.008 ( 2.008 6.860 -0.522) 7.167 8.008 ( 2.008 6.860 0.522) 7.167 8.255 ( 1.963 10.264 -0.997) 10.498 8.255 ( 1.963 10.264 0.997) 10.498 8.444 ( 1.078 5.530 -1.659) 5.873 8.444 ( 1.078 5.530 1.659) 5.873 8.856 ( 1.708 2.199 -1.105) 2.996 8.856 ( 1.708 2.199 1.105) 2.996 9.000 ( -0.007 -1.195 -0.899) 1.496 9.000 ( -0.007 -1.195 0.899) 1.496 9.785 ( 1.107 -4.249 -1.914) 4.790 9.785 ( 1.107 -4.249 1.914) 4.790 9.843 ( 5.044 -4.693 -5.171) 8.614 9.843 ( 5.044 -4.693 5.171) 8.614 9.945 ( -4.839 8.307 -6.322) 11.506 9.945 ( -4.839 8.307 6.322) 11.506 10.547 ( -2.128 2.785 -3.584) 5.013 10.547 ( -2.128 2.785 3.584) 5.013 10.828 ( -6.084 -0.876 -4.634) 7.698 10.828 ( -6.084 -0.876 4.634) 7.698 11.153 ( -1.816 4.642 -1.676) 5.259 11.153 ( -1.816 4.642 1.676) 5.259 11.510 ( -0.024 -4.840 -1.580) 5.091 11.510 ( -0.024 -4.840 1.580) 5.091 11.736 ( -4.296 -1.776 -3.945) 6.097 11.736 ( -4.296 -1.776 3.945) 6.097 11.906 ( 2.856 -2.685 -4.198) 5.743 11.906 ( 2.856 -2.685 4.198) 5.743 12.192 ( 1.296 0.344 -6.197) 6.340 12.192 ( 1.296 0.344 6.197) 6.340 12.479 ( 6.059 -8.919 -9.032) 14.065 12.479 ( 6.059 -8.919 9.032) 14.065 12.817 ( 2.533 -1.325 -7.786) 8.294 12.817 ( 2.533 -1.325 7.786) 8.294 13.032 ( -5.162 3.309 -1.563) 6.328 13.032 ( -5.162 3.309 1.563) 6.328 13.268 ( -4.076 -2.992 -6.528) 8.257 13.268 ( -4.076 -2.992 6.528) 8.257 15.762 ( 0.221 -1.589 -4.337) 4.624 15.762 ( 0.221 -1.589 4.337) 4.624 16.063 ( -1.530 -10.038 -1.204) 10.225 16.063 ( -1.530 -10.038 1.204) 10.225 16.219 ( 4.917 -6.575 -3.037) 8.754 16.219 ( 4.917 -6.575 3.037) 8.754 16.510 ( -1.557 -5.429 -1.989) 5.988 16.510 ( -1.557 -5.429 1.989) 5.988 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.252 6.017 -0.468) 6.041 2.855 ( 0.252 6.017 0.468) 6.041 2.986 ( -0.460 3.268 -1.027) 3.457 2.986 ( -0.460 3.268 1.027) 3.457 3.202 ( -0.114 -1.755 -1.928) 2.609 3.202 ( -0.114 -1.755 1.928) 2.609 3.258 ( 1.408 -0.933 -0.872) 1.901 3.258 ( 1.408 -0.933 0.872) 1.901 4.058 ( 0.913 7.862 -2.689) 8.359 4.058 ( 0.913 7.862 2.689) 8.359 4.219 ( -3.715 7.803 -3.098) 9.181 4.219 ( -3.715 7.803 3.098) 9.181 4.416 ( 0.974 12.560 -0.870) 12.627 4.416 ( 0.974 12.560 0.870) 12.627 4.565 ( -1.228 -0.468 -1.925) 2.331 4.565 ( -1.228 -0.468 1.925) 2.331 4.837 ( 5.303 2.265 -6.465) 8.663 4.837 ( 5.303 2.265 6.465) 8.663 5.059 ( -3.354 5.268 -4.097) 7.469 5.059 ( -3.354 5.268 4.097) 7.469 5.166 ( 5.283 -1.536 -1.683) 5.753 5.166 ( 5.283 -1.536 1.683) 5.753 5.415 ( -6.526 0.071 -0.880) 6.585 5.415 ( -6.526 0.071 0.880) 6.585 5.589 ( 0.891 4.393 -5.377) 7.001 5.589 ( 0.891 4.393 5.377) 7.001 5.766 ( -1.182 1.290 -4.795) 5.104 5.766 ( -1.182 1.290 4.795) 5.104 6.359 ( 2.576 -8.712 -1.447) 9.200 6.359 ( 2.576 -8.712 1.447) 9.200 6.480 ( -1.598 -5.269 -0.815) 5.566 6.480 ( -1.598 -5.269 0.815) 5.566 7.292 ( 3.215 18.702 -0.910) 18.998 7.292 ( 3.215 18.702 0.910) 18.998 7.357 ( -2.455 16.344 -1.478) 16.594 7.357 ( -2.455 16.344 1.478) 16.594 7.950 ( 2.566 16.897 -1.518) 17.158 7.950 ( 2.566 16.897 1.518) 17.158 8.021 ( -0.790 9.388 -0.746) 9.450 8.021 ( -0.790 9.388 0.746) 9.450 8.328 ( 4.815 6.121 -2.419) 8.155 8.328 ( 4.815 6.121 2.419) 8.155 8.432 ( -2.633 3.863 -3.316) 5.732 8.432 ( -2.633 3.863 3.316) 5.732 8.913 ( 3.468 4.939 -2.683) 6.605 8.913 ( 3.468 4.939 2.683) 6.605 8.988 ( -1.621 1.543 -1.373) 2.625 8.988 ( -1.621 1.543 1.373) 2.625 9.810 ( 1.250 -1.687 -1.362) 2.503 9.810 ( 1.250 -1.687 1.362) 2.503 9.869 ( -1.336 1.120 -2.792) 3.291 9.869 ( -1.336 1.120 2.792) 3.291 9.960 ( 3.990 -4.275 -3.422) 6.775 9.960 ( 3.990 -4.275 3.422) 6.775 10.394 ( -8.325 -9.480 -3.244) 13.027 10.394 ( -8.325 -9.480 3.244) 13.027 10.811 ( 1.933 5.617 -3.157) 6.727 10.811 ( 1.933 5.617 3.157) 6.727 11.114 ( -1.889 11.762 -1.957) 12.072 11.114 ( -1.889 11.762 1.957) 12.072 11.509 ( 0.166 -6.275 -1.541) 6.464 11.509 ( 0.166 -6.275 1.541) 6.464 11.606 ( -4.789 5.208 -1.803) 7.301 11.606 ( -4.789 5.208 1.803) 7.301 12.026 ( 5.442 -8.787 -3.942) 11.062 12.026 ( 5.442 -8.787 3.942) 11.062 12.182 ( -1.846 -7.248 -3.401) 8.217 12.182 ( -1.846 -7.248 3.401) 8.217 12.618 ( 6.697 -1.144 -3.127) 7.479 12.618 ( 6.697 -1.144 3.127) 7.479 12.848 ( -2.601 1.389 -0.914) 3.087 12.848 ( -2.601 1.389 0.914) 3.087 12.926 ( -1.817 2.782 -4.242) 5.388 12.926 ( -1.817 2.782 4.242) 5.388 13.187 ( -2.952 -5.677 -3.927) 7.508 13.187 ( -2.952 -5.677 3.927) 7.508 15.769 ( 0.307 -1.706 -1.486) 2.283 15.769 ( 0.307 -1.706 1.486) 2.283 16.036 ( -0.854 -11.361 -0.224) 11.395 16.036 ( -0.854 -11.361 0.224) 11.395 16.321 ( 4.267 -5.062 -2.037) 6.926 16.321 ( 4.267 -5.062 2.037) 6.926 16.465 ( -2.493 -5.379 -1.569) 6.132 16.465 ( -2.493 -5.379 1.569) 6.132 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 0.000 3.851 -1.157) 4.021 2.966 ( 0.000 3.851 1.157) 4.021 3.017 ( 0.000 -0.644 -1.746) 1.861 3.017 ( 0.000 -0.644 1.746) 1.861 3.169 ( 0.000 1.069 -0.587) 1.219 3.169 ( 0.000 1.069 0.587) 1.219 3.238 ( 0.000 -0.641 -2.225) 2.316 3.238 ( 0.000 -0.641 2.225) 2.316 4.250 ( 0.000 6.706 -1.462) 6.863 4.250 ( 0.000 6.706 1.462) 6.863 4.350 ( 0.000 1.676 -2.217) 2.780 4.350 ( 0.000 1.676 2.217) 2.780 4.425 ( 0.000 -1.112 -2.507) 2.743 4.425 ( 0.000 -1.112 2.507) 2.743 4.506 ( 0.000 -7.776 -2.827) 8.274 4.506 ( 0.000 -7.776 2.827) 8.274 4.797 ( 0.000 8.610 -0.494) 8.624 4.797 ( 0.000 8.610 0.494) 8.624 5.015 ( 0.000 -1.440 -0.500) 1.524 5.015 ( 0.000 -1.440 0.500) 1.524 5.347 ( 0.000 8.543 -1.745) 8.719 5.347 ( 0.000 8.543 1.745) 8.719 5.520 ( 0.000 -4.640 -2.394) 5.221 5.520 ( 0.000 -4.640 2.394) 5.221 5.541 ( 0.000 -3.710 -0.106) 3.711 5.541 ( 0.000 -3.710 0.106) 3.711 5.939 ( 0.000 8.375 -4.164) 9.353 5.939 ( 0.000 8.375 4.164) 9.353 6.122 ( 0.000 -5.561 -2.838) 6.244 6.122 ( 0.000 -5.561 2.838) 6.244 6.423 ( 0.000 -4.972 -0.464) 4.994 6.423 ( 0.000 -4.972 0.464) 4.994 7.485 ( 0.000 7.936 -0.781) 7.974 7.485 ( 0.000 7.936 0.781) 7.974 7.564 ( 0.000 2.355 -2.544) 3.467 7.564 ( 0.000 2.355 2.544) 3.467 8.061 ( 0.000 4.841 -0.016) 4.841 8.061 ( 0.000 4.841 0.016) 4.841 8.082 ( 0.000 3.227 -0.155) 3.231 8.082 ( 0.000 3.227 0.155) 3.231 8.448 ( 0.000 7.254 -1.030) 7.327 8.448 ( 0.000 7.254 1.030) 7.327 8.530 ( 0.000 2.397 -1.674) 2.923 8.530 ( 0.000 2.397 1.674) 2.923 8.849 ( 0.000 0.008 -0.175) 0.175 8.849 ( 0.000 0.008 0.175) 0.175 8.961 ( 0.000 -1.088 -0.478) 1.189 8.961 ( 0.000 -1.088 0.478) 1.189 9.694 ( 0.000 -1.836 -1.020) 2.100 9.694 ( 0.000 -1.836 1.020) 2.100 9.757 ( 0.000 -0.908 -1.584) 1.826 9.757 ( 0.000 -0.908 1.584) 1.826 10.235 ( 0.000 9.611 -7.135) 11.969 10.235 ( 0.000 9.611 7.135) 11.969 10.641 ( 0.000 2.828 -6.901) 7.457 10.641 ( 0.000 2.828 6.901) 7.457 10.825 ( 0.000 -7.700 -0.401) 7.710 10.825 ( 0.000 -7.700 0.401) 7.710 11.113 ( 0.000 -1.459 -4.057) 4.311 11.113 ( 0.000 -1.459 4.057) 4.311 11.452 ( 0.000 -0.902 -0.280) 0.945 11.452 ( 0.000 -0.902 0.280) 0.945 11.624 ( 0.000 -3.103 -2.207) 3.808 11.624 ( 0.000 -3.103 2.207) 3.808 12.064 ( 0.000 5.647 -8.587) 10.278 12.064 ( 0.000 5.647 8.587) 10.278 12.190 ( 0.000 0.075 -1.116) 1.118 12.190 ( 0.000 0.075 1.116) 1.118 12.219 ( 0.000 -6.433 -10.545) 12.352 12.219 ( 0.000 -6.433 10.545) 12.352 12.737 ( 0.000 -1.543 -4.066) 4.349 12.737 ( 0.000 -1.543 4.066) 4.349 13.175 ( 0.000 4.840 -2.907) 5.646 13.175 ( 0.000 4.840 2.907) 5.646 13.261 ( 0.000 -3.575 -4.542) 5.780 13.261 ( 0.000 -3.575 4.542) 5.780 15.748 ( 0.000 -0.118 -3.269) 3.271 15.748 ( 0.000 -0.118 3.269) 3.271 15.938 ( 0.000 -4.277 -0.856) 4.362 15.938 ( 0.000 -4.277 0.856) 4.362 16.078 ( 0.000 -1.767 -0.251) 1.784 16.078 ( 0.000 -1.767 0.251) 1.784 16.449 ( 0.000 -2.031 -0.864) 2.208 16.449 ( 0.000 -2.031 0.864) 2.208 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -0.504 3.558 -0.892) 3.703 2.959 ( -0.504 3.558 0.892) 3.703 3.014 ( -0.167 -0.281 -1.182) 1.227 3.014 ( -0.167 -0.281 1.182) 1.227 3.186 ( 1.075 0.464 -1.245) 1.709 3.186 ( 1.075 0.464 1.245) 1.709 3.228 ( -0.749 -0.846 -1.872) 2.187 3.228 ( -0.749 -0.846 1.872) 2.187 4.225 ( -1.740 7.430 -2.248) 7.955 4.225 ( -1.740 7.430 2.248) 7.955 4.334 ( -0.909 -0.028 -3.115) 3.245 4.334 ( -0.909 -0.028 3.115) 3.245 4.472 ( 3.143 -2.217 -3.448) 5.166 4.472 ( 3.143 -2.217 3.448) 5.166 4.548 ( 3.313 -3.247 -4.214) 6.267 4.548 ( 3.313 -3.247 4.214) 6.267 4.797 ( 0.993 8.183 -3.223) 8.851 4.797 ( 0.993 8.183 3.223) 8.851 5.024 ( 0.539 -3.985 -3.874) 5.583 5.024 ( 0.539 -3.985 3.874) 5.583 5.315 ( -2.882 9.114 -1.685) 9.706 5.315 ( -2.882 9.114 1.685) 9.706 5.481 ( -4.172 -5.790 -2.544) 7.576 5.481 ( -4.172 -5.790 2.544) 7.576 5.569 ( 3.504 -0.634 -3.318) 4.867 5.569 ( 3.504 -0.634 3.318) 4.867 5.918 ( -2.520 7.237 -3.791) 8.550 5.918 ( -2.520 7.237 3.791) 8.550 6.156 ( 3.210 -5.109 -2.246) 6.439 6.156 ( 3.210 -5.109 2.246) 6.439 6.397 ( -2.258 -5.195 -0.431) 5.681 6.397 ( -2.258 -5.195 0.431) 5.681 7.501 ( 1.495 7.571 -0.619) 7.742 7.501 ( 1.495 7.571 0.619) 7.742 7.565 ( 0.029 2.868 -2.183) 3.604 7.565 ( 0.029 2.868 2.183) 3.604 8.082 ( 1.831 4.654 -0.999) 5.100 8.082 ( 1.831 4.654 0.999) 5.100 8.112 ( 2.810 2.893 -0.388) 4.052 8.112 ( 2.810 2.893 0.388) 4.052 8.458 ( -0.004 8.009 -0.541) 8.027 8.458 ( -0.004 8.009 0.541) 8.027 8.527 ( 0.281 1.191 -1.186) 1.704 8.527 ( 0.281 1.191 1.186) 1.704 8.881 ( 3.512 0.500 -0.564) 3.592 8.881 ( 3.512 0.500 0.564) 3.592 8.990 ( 2.369 -0.134 -0.496) 2.424 8.990 ( 2.369 -0.134 0.496) 2.424 9.716 ( 2.136 -2.120 -0.749) 3.101 9.716 ( 2.136 -2.120 0.749) 3.101 9.787 ( 2.846 -1.257 -1.421) 3.421 9.787 ( 2.846 -1.257 1.421) 3.421 10.127 ( -8.263 8.331 -5.383) 12.909 10.127 ( -8.263 8.331 5.383) 12.909 10.494 ( -14.744 -6.309 -6.992) 17.496 10.494 ( -14.744 -6.309 6.992) 17.496 10.868 ( 5.929 4.548 -5.690) 9.393 10.868 ( 5.929 4.548 5.690) 9.393 11.179 ( 3.775 -3.246 -2.428) 5.539 11.179 ( 3.775 -3.246 2.428) 5.539 11.450 ( -0.391 1.616 -0.670) 1.793 11.450 ( -0.391 1.616 0.670) 1.793 11.633 ( 0.343 -5.873 -2.159) 6.267 11.633 ( 0.343 -5.873 2.159) 6.267 11.949 ( -5.342 3.598 -3.417) 7.291 11.949 ( -5.342 3.598 3.417) 7.291 12.138 ( -4.183 -3.947 -3.160) 6.562 12.138 ( -4.183 -3.947 3.160) 6.562 12.399 ( 11.876 -0.554 -2.711) 12.194 12.399 ( 11.876 -0.554 2.711) 12.194 12.793 ( 5.051 -0.894 -3.638) 6.289 12.793 ( 5.051 -0.894 3.638) 6.289 13.112 ( -6.526 4.120 -2.969) 8.269 13.112 ( -6.526 4.120 2.969) 8.269 13.204 ( -4.835 -3.389 -4.870) 7.653 13.204 ( -4.835 -3.389 4.870) 7.653 15.748 ( 0.270 -0.047 -2.471) 2.487 15.748 ( 0.270 -0.047 2.471) 2.487 15.912 ( -2.305 -4.425 -0.707) 5.039 15.912 ( -2.305 -4.425 0.707) 5.039 16.143 ( 5.679 -1.650 -0.971) 5.993 16.143 ( 5.679 -1.650 0.971) 5.993 16.436 ( -1.484 -2.033 -0.835) 2.652 16.436 ( -1.484 -2.033 0.835) 2.652 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -0.038 3.907 -0.295) 3.918 2.953 ( -0.038 3.907 0.295) 3.918 3.011 ( -0.148 -0.895 -0.298) 0.955 3.011 ( -0.148 -0.895 0.298) 0.955 3.190 ( -0.379 0.884 -0.955) 1.356 3.190 ( -0.379 0.884 0.955) 1.356 3.225 ( 0.267 -2.145 -0.378) 2.194 3.225 ( 0.267 -2.145 0.378) 2.194 4.203 ( -0.359 7.374 -1.706) 7.578 4.203 ( -0.359 7.374 1.706) 7.578 4.315 ( -0.784 -1.147 -1.501) 2.046 4.315 ( -0.784 -1.147 1.501) 2.046 4.529 ( 1.943 0.978 -3.726) 4.314 4.529 ( 1.943 0.978 3.726) 4.314 4.588 ( 0.546 1.889 -3.594) 4.097 4.588 ( 0.546 1.889 3.594) 4.097 4.862 ( 4.376 3.448 -4.313) 7.046 4.862 ( 4.376 3.448 4.313) 7.046 5.018 ( -1.438 -6.199 -5.335) 8.305 5.018 ( -1.438 -6.199 5.335) 8.305 5.259 ( -1.695 7.888 -1.713) 8.248 5.259 ( -1.695 7.888 1.713) 8.248 5.388 ( -3.759 -3.917 -1.907) 5.754 5.388 ( -3.759 -3.917 1.907) 5.754 5.674 ( 6.299 2.918 -3.015) 7.568 5.674 ( 6.299 2.918 3.015) 7.568 5.829 ( -5.875 3.368 -3.036) 7.421 5.829 ( -5.875 3.368 3.036) 7.421 6.232 ( 3.493 -2.740 -0.940) 4.538 6.232 ( 3.493 -2.740 0.940) 4.538 6.347 ( -2.462 -6.417 -0.082) 6.874 6.347 ( -2.462 -6.417 0.082) 6.874 7.535 ( 1.589 6.248 -0.260) 6.452 7.535 ( 1.589 6.248 0.260) 6.452 7.559 ( -0.751 4.360 -1.298) 4.611 7.559 ( -0.751 4.360 1.298) 4.611 8.125 ( 1.986 4.220 -1.066) 4.784 8.125 ( 1.986 4.220 1.066) 4.784 8.157 ( 0.818 2.997 -0.663) 3.177 8.157 ( 0.818 2.997 0.663) 3.177 8.465 ( 1.663 5.194 -0.440) 5.472 8.465 ( 1.663 5.194 0.440) 5.472 8.515 ( -2.099 2.763 -1.419) 3.749 8.515 ( -2.099 2.763 1.419) 3.749 8.978 ( 4.731 1.970 -1.130) 5.248 8.978 ( 4.731 1.970 1.130) 5.248 9.028 ( 0.593 1.281 -0.126) 1.417 9.028 ( 0.593 1.281 0.126) 1.417 9.786 ( 5.031 -0.691 -1.534) 5.305 9.786 ( 5.031 -0.691 1.534) 5.305 9.849 ( 1.783 -1.994 -0.543) 2.730 9.849 ( 1.783 -1.994 0.543) 2.730 9.983 ( -4.674 5.955 -2.466) 7.962 9.983 ( -4.674 5.955 2.466) 7.962 10.187 ( -12.214 -10.139 -3.701) 16.300 10.187 ( -12.214 -10.139 3.701) 16.300 10.978 ( 3.469 10.669 -2.347) 11.462 10.978 ( 3.469 10.669 2.347) 11.462 11.226 ( 0.988 -7.347 -1.033) 7.485 11.226 ( 0.988 -7.347 1.033) 7.485 11.436 ( -0.702 6.985 -0.249) 7.025 11.436 ( -0.702 6.985 0.249) 7.025 11.620 ( -1.130 -5.848 -0.418) 5.970 11.620 ( -1.130 -5.848 0.418) 5.970 11.921 ( 1.830 0.057 -2.380) 3.003 11.921 ( 1.830 0.057 2.380) 3.003 12.042 ( -4.549 -5.767 -2.339) 7.709 12.042 ( -4.549 -5.767 2.339) 7.709 12.644 ( 11.999 1.860 -0.944) 12.179 12.644 ( 11.999 1.860 0.944) 12.179 12.874 ( -3.779 0.730 -0.820) 3.935 12.874 ( -3.779 0.730 0.820) 3.935 12.967 ( -0.870 1.103 -3.337) 3.621 12.967 ( -0.870 1.103 3.337) 3.621 13.094 ( -5.731 -2.910 -3.508) 7.323 13.094 ( -5.731 -2.910 3.508) 7.323 15.764 ( 1.047 1.111 -1.131) 1.900 15.764 ( 1.047 1.111 1.131) 1.900 15.863 ( -2.041 -5.847 -0.565) 6.218 15.863 ( -2.041 -5.847 0.565) 6.218 16.268 ( 5.867 -0.846 -0.831) 5.985 16.268 ( 5.867 -0.846 0.831) 5.985 16.384 ( -3.592 -2.522 -0.748) 4.452 16.384 ( -3.592 -2.522 0.748) 4.452 =================== 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 3/25200 10.0 4936.255 4692.908 2969.267 0.000 0.000 -0.000 3/25200 20.0 518.789 750.403 553.599 0.000 0.000 -0.000 3/25200 30.0 136.436 243.105 153.872 0.000 0.000 -0.000 3/25200 40.0 61.395 127.461 70.088 0.000 0.000 -0.000 3/25200 50.0 36.116 83.460 41.596 0.000 0.000 -0.000 3/25200 60.0 24.546 60.818 28.497 0.000 0.000 -0.000 3/25200 70.0 18.185 47.140 21.242 0.000 0.000 -0.000 3/25200 80.0 14.259 38.089 16.725 0.000 0.000 -0.000 3/25200 90.0 11.641 31.736 13.684 0.000 0.000 -0.000 3/25200 100.0 9.793 27.082 11.521 0.000 0.000 -0.000 3/25200 110.0 8.433 23.556 9.918 0.000 0.000 -0.000 3/25200 120.0 7.397 20.811 8.690 0.000 0.000 -0.000 3/25200 130.0 6.585 18.624 7.725 0.000 0.000 -0.000 3/25200 140.0 5.933 16.846 6.949 0.000 0.000 -0.000 3/25200 150.0 5.401 15.376 6.313 0.000 0.000 -0.000 3/25200 160.0 4.957 14.144 5.784 0.000 0.000 -0.000 3/25200 170.0 4.583 13.096 5.337 0.000 0.000 -0.000 3/25200 180.0 4.262 12.196 4.955 0.000 0.000 -0.000 3/25200 190.0 3.985 11.414 4.625 0.000 0.000 -0.000 3/25200 200.0 3.743 10.728 4.337 0.000 0.000 -0.000 3/25200 210.0 3.530 10.123 4.084 0.000 0.000 -0.000 3/25200 220.0 3.341 9.584 3.859 0.000 0.000 -0.000 3/25200 230.0 3.171 9.102 3.658 0.000 0.000 -0.000 3/25200 240.0 3.019 8.668 3.478 0.000 0.000 -0.000 3/25200 250.0 2.881 8.274 3.316 0.000 0.000 -0.000 3/25200 260.0 2.756 7.916 3.168 0.000 0.000 -0.000 3/25200 270.0 2.641 7.588 3.033 0.000 0.000 -0.000 3/25200 280.0 2.536 7.288 2.910 0.000 0.000 -0.000 3/25200 290.0 2.439 7.011 2.797 0.000 0.000 -0.000 3/25200 300.0 2.350 6.755 2.692 0.000 0.000 -0.000 3/25200 310.0 2.267 6.518 2.595 0.000 0.000 -0.000 3/25200 320.0 2.190 6.297 2.505 0.000 0.000 -0.000 3/25200 330.0 2.118 6.091 2.422 0.000 0.000 -0.000 3/25200 340.0 2.051 5.899 2.344 0.000 0.000 -0.000 3/25200 350.0 1.988 5.718 2.270 0.000 0.000 -0.000 3/25200 360.0 1.929 5.549 2.202 0.000 0.000 -0.000 3/25200 370.0 1.873 5.389 2.137 0.000 0.000 -0.000 3/25200 380.0 1.821 5.239 2.077 0.000 0.000 -0.000 3/25200 390.0 1.772 5.097 2.020 0.000 0.000 -0.000 3/25200 400.0 1.725 4.963 1.966 0.000 0.000 -0.000 3/25200 410.0 1.681 4.836 1.914 0.000 0.000 -0.000 3/25200 420.0 1.639 4.715 1.866 0.000 0.000 -0.000 3/25200 430.0 1.599 4.601 1.820 0.000 0.000 -0.000 3/25200 440.0 1.561 4.491 1.776 0.000 0.000 -0.000 3/25200 450.0 1.524 4.387 1.734 0.000 0.000 -0.000 3/25200 460.0 1.490 4.288 1.694 0.000 0.000 -0.000 3/25200 470.0 1.457 4.194 1.657 0.000 0.000 -0.000 3/25200 480.0 1.425 4.103 1.620 0.000 0.000 -0.000 3/25200 490.0 1.395 4.016 1.586 0.000 0.000 -0.000 3/25200 500.0 1.366 3.933 1.553 0.000 0.000 -0.000 3/25200 510.0 1.339 3.854 1.521 0.000 0.000 -0.000 3/25200 520.0 1.312 3.777 1.490 0.000 0.000 -0.000 3/25200 530.0 1.287 3.704 1.461 0.000 0.000 -0.000 3/25200 540.0 1.262 3.633 1.433 0.000 0.000 -0.000 3/25200 550.0 1.238 3.565 1.406 0.000 0.000 -0.000 3/25200 560.0 1.216 3.500 1.380 0.000 0.000 -0.000 3/25200 570.0 1.194 3.437 1.355 0.000 0.000 -0.000 3/25200 580.0 1.173 3.376 1.331 0.000 0.000 -0.000 3/25200 590.0 1.152 3.318 1.307 0.000 0.000 -0.000 3/25200 600.0 1.133 3.261 1.285 0.000 0.000 -0.000 3/25200 610.0 1.114 3.207 1.263 0.000 0.000 -0.000 3/25200 620.0 1.095 3.154 1.242 0.000 0.000 -0.000 3/25200 630.0 1.077 3.103 1.222 0.000 0.000 -0.000 3/25200 640.0 1.060 3.053 1.202 0.000 0.000 -0.000 3/25200 650.0 1.044 3.005 1.183 0.000 0.000 -0.000 3/25200 660.0 1.027 2.959 1.165 0.000 0.000 -0.000 3/25200 670.0 1.012 2.914 1.147 0.000 0.000 -0.000 3/25200 680.0 0.997 2.870 1.130 0.000 0.000 -0.000 3/25200 690.0 0.982 2.828 1.113 0.000 0.000 -0.000 3/25200 700.0 0.968 2.787 1.097 0.000 0.000 -0.000 3/25200 710.0 0.954 2.747 1.081 0.000 0.000 -0.000 3/25200 720.0 0.940 2.708 1.065 0.000 0.000 -0.000 3/25200 730.0 0.927 2.671 1.051 0.000 0.000 -0.000 3/25200 740.0 0.914 2.634 1.036 0.000 0.000 -0.000 3/25200 750.0 0.902 2.598 1.022 0.000 0.000 -0.000 3/25200 760.0 0.890 2.564 1.008 0.000 0.000 -0.000 3/25200 770.0 0.878 2.530 0.995 0.000 0.000 -0.000 3/25200 780.0 0.867 2.497 0.982 0.000 0.000 -0.000 3/25200 790.0 0.856 2.465 0.969 0.000 0.000 -0.000 3/25200 800.0 0.845 2.434 0.957 0.000 0.000 -0.000 3/25200 810.0 0.834 2.403 0.945 0.000 0.000 -0.000 3/25200 820.0 0.824 2.374 0.933 0.000 0.000 -0.000 3/25200 830.0 0.814 2.345 0.922 0.000 0.000 -0.000 3/25200 840.0 0.804 2.317 0.911 0.000 0.000 -0.000 3/25200 850.0 0.795 2.289 0.900 0.000 0.000 -0.000 3/25200 860.0 0.785 2.262 0.889 0.000 0.000 -0.000 3/25200 870.0 0.776 2.236 0.879 0.000 0.000 -0.000 3/25200 880.0 0.767 2.210 0.869 0.000 0.000 -0.000 3/25200 890.0 0.759 2.185 0.859 0.000 0.000 -0.000 3/25200 900.0 0.750 2.161 0.849 0.000 0.000 -0.000 3/25200 910.0 0.742 2.137 0.839 0.000 0.000 -0.000 3/25200 920.0 0.734 2.113 0.830 0.000 0.000 -0.000 3/25200 930.0 0.726 2.090 0.821 0.000 0.000 -0.000 3/25200 940.0 0.718 2.068 0.812 0.000 0.000 -0.000 3/25200 950.0 0.710 2.046 0.804 0.000 0.000 -0.000 3/25200 960.0 0.703 2.024 0.795 0.000 0.000 -0.000 3/25200 970.0 0.695 2.003 0.787 0.000 0.000 -0.000 3/25200 980.0 0.688 1.983 0.779 0.000 0.000 -0.000 3/25200 990.0 0.681 1.962 0.771 0.000 0.000 -0.000 3/25200 1000.0 0.674 1.943 0.763 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:14:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|