----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:20:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450687850731853 0.000000000000000 0.000000000000000 b 0.000000000000000 6.663811730000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): *1 Se 0.35169497123683 0.49923149493122 0.20821786588257 78.960 2 Se 0.64830502876317 0.99923149493122 0.29178213411743 78.960 3 Se 0.64830502876317 0.50076850506878 0.79178213411743 78.960 4 Se 0.35169497123683 0.00076850506878 0.70821786588257 78.960 *5 Se 0.53736376883879 0.80378859822535 0.42795068622234 78.960 6 Se 0.46263623116121 0.30378859822535 0.07204931377766 78.960 7 Se 0.46263623116121 0.19621140177465 0.57204931377766 78.960 8 Se 0.53736376883879 0.69621140177465 0.92795068622234 78.960 *9 Se 0.11751737081111 0.90182399531421 0.96623307681180 78.960 10 Se 0.88248262918889 0.40182399531421 0.53376692318820 78.960 11 Se 0.88248262918889 0.09817600468579 0.03376692318820 78.960 12 Se 0.11751737081111 0.59817600468579 0.46623307681180 78.960 *13 Te 0.62095347784830 0.43015178753730 0.37654921714936 127.600 14 Te 0.37904652215170 0.93015178753730 0.12345078285064 127.600 15 Te 0.37904652215170 0.56984821246270 0.62345078285064 127.600 16 Te 0.62095347784830 0.06984821246270 0.87654921714936 127.600 *17 Cs 0.86380160434781 0.61170019840897 0.14398353061725 132.905 18 Cs 0.13619839565219 0.11170019840897 0.35601646938275 132.905 19 Cs 0.13619839565219 0.38829980159103 0.85601646938275 132.905 20 Cs 0.86380160434781 0.88829980159103 0.64398353061725 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.450687850731853 0.000000000000000 0.000000000000000 b 0.000000000000000 6.663811730000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): *1 Se 0.35169497123683 0.49923149493122 0.20821786588257 78.960 > 1 2 Se 0.64830502876317 0.99923149493122 0.29178213411743 78.960 > 2 3 Se 0.64830502876317 0.50076850506878 0.79178213411743 78.960 > 3 4 Se 0.35169497123683 0.00076850506878 0.70821786588257 78.960 > 4 *5 Se 0.53736376883879 0.80378859822535 0.42795068622234 78.960 > 5 6 Se 0.46263623116121 0.30378859822535 0.07204931377766 78.960 > 6 7 Se 0.46263623116121 0.19621140177465 0.57204931377766 78.960 > 7 8 Se 0.53736376883879 0.69621140177465 0.92795068622234 78.960 > 8 *9 Se 0.11751737081111 0.90182399531421 0.96623307681180 78.960 > 9 10 Se 0.88248262918889 0.40182399531421 0.53376692318820 78.960 > 10 11 Se 0.88248262918889 0.09817600468579 0.03376692318820 78.960 > 11 12 Se 0.11751737081111 0.59817600468579 0.46623307681180 78.960 > 12 *13 Te 0.62095347784830 0.43015178753730 0.37654921714936 127.600 > 13 14 Te 0.37904652215170 0.93015178753730 0.12345078285064 127.600 > 14 15 Te 0.37904652215170 0.56984821246270 0.62345078285064 127.600 > 15 16 Te 0.62095347784830 0.06984821246270 0.87654921714936 127.600 > 16 *17 Cs 0.86380160434781 0.61170019840897 0.14398353061725 132.905 > 17 18 Cs 0.13619839565219 0.11170019840897 0.35601646938275 132.905 > 18 19 Cs 0.13619839565219 0.38829980159103 0.85601646938275 132.905 > 19 20 Cs 0.86380160434781 0.88829980159103 0.64398353061725 132.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.901375701463706 0.000000000000000 0.000000000000000 b 0.000000000000000 13.327623460000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): *1 Se 0.17584748561842 0.24961574746561 0.20821786588257 78.960 > 1 2 Se 0.67584748561842 0.24961574746561 0.20821786588257 78.960 > 1 3 Se 0.17584748561842 0.74961574746561 0.20821786588257 78.960 > 1 4 Se 0.67584748561842 0.74961574746561 0.20821786588257 78.960 > 1 5 Se 0.32415251438158 0.49961574746561 0.29178213411743 78.960 > 2 6 Se 0.82415251438158 0.49961574746561 0.29178213411743 78.960 > 2 7 Se 0.32415251438158 0.99961574746561 0.29178213411743 78.960 > 2 8 Se 0.82415251438158 0.99961574746561 0.29178213411743 78.960 > 2 9 Se 0.32415251438158 0.25038425253439 0.79178213411743 78.960 > 3 10 Se 0.82415251438158 0.25038425253439 0.79178213411743 78.960 > 3 11 Se 0.32415251438158 0.75038425253439 0.79178213411743 78.960 > 3 12 Se 0.82415251438158 0.75038425253439 0.79178213411743 78.960 > 3 13 Se 0.17584748561842 0.00038425253439 0.70821786588257 78.960 > 4 14 Se 0.67584748561842 0.00038425253439 0.70821786588257 78.960 > 4 15 Se 0.17584748561842 0.50038425253439 0.70821786588257 78.960 > 4 16 Se 0.67584748561842 0.50038425253439 0.70821786588257 78.960 > 4 *17 Se 0.26868188441940 0.40189429911268 0.42795068622234 78.960 > 5 18 Se 0.76868188441940 0.40189429911268 0.42795068622234 78.960 > 5 19 Se 0.26868188441940 0.90189429911268 0.42795068622234 78.960 > 5 20 Se 0.76868188441940 0.90189429911268 0.42795068622234 78.960 > 5 21 Se 0.23131811558060 0.15189429911268 0.07204931377766 78.960 > 6 22 Se 0.73131811558060 0.15189429911268 0.07204931377766 78.960 > 6 23 Se 0.23131811558060 0.65189429911268 0.07204931377766 78.960 > 6 24 Se 0.73131811558060 0.65189429911268 0.07204931377766 78.960 > 6 25 Se 0.23131811558060 0.09810570088732 0.57204931377766 78.960 > 7 26 Se 0.73131811558060 0.09810570088732 0.57204931377766 78.960 > 7 27 Se 0.23131811558060 0.59810570088732 0.57204931377766 78.960 > 7 28 Se 0.73131811558060 0.59810570088732 0.57204931377766 78.960 > 7 29 Se 0.26868188441940 0.34810570088732 0.92795068622234 78.960 > 8 30 Se 0.76868188441940 0.34810570088732 0.92795068622234 78.960 > 8 31 Se 0.26868188441940 0.84810570088732 0.92795068622234 78.960 > 8 32 Se 0.76868188441940 0.84810570088732 0.92795068622234 78.960 > 8 *33 Se 0.05875868540556 0.45091199765710 0.96623307681180 78.960 > 9 34 Se 0.55875868540556 0.45091199765710 0.96623307681180 78.960 > 9 35 Se 0.05875868540556 0.95091199765710 0.96623307681180 78.960 > 9 36 Se 0.55875868540556 0.95091199765710 0.96623307681180 78.960 > 9 37 Se 0.44124131459444 0.20091199765710 0.53376692318820 78.960 > 10 38 Se 0.94124131459444 0.20091199765710 0.53376692318820 78.960 > 10 39 Se 0.44124131459444 0.70091199765710 0.53376692318820 78.960 > 10 40 Se 0.94124131459444 0.70091199765710 0.53376692318820 78.960 > 10 41 Se 0.44124131459444 0.04908800234290 0.03376692318820 78.960 > 11 42 Se 0.94124131459444 0.04908800234290 0.03376692318820 78.960 > 11 43 Se 0.44124131459444 0.54908800234290 0.03376692318820 78.960 > 11 44 Se 0.94124131459444 0.54908800234290 0.03376692318820 78.960 > 11 45 Se 0.05875868540556 0.29908800234290 0.46623307681180 78.960 > 12 46 Se 0.55875868540556 0.29908800234290 0.46623307681180 78.960 > 12 47 Se 0.05875868540556 0.79908800234290 0.46623307681180 78.960 > 12 48 Se 0.55875868540556 0.79908800234290 0.46623307681180 78.960 > 12 *49 Te 0.31047673892415 0.21507589376865 0.37654921714936 127.600 > 13 50 Te 0.81047673892415 0.21507589376865 0.37654921714936 127.600 > 13 51 Te 0.31047673892415 0.71507589376865 0.37654921714936 127.600 > 13 52 Te 0.81047673892415 0.71507589376865 0.37654921714936 127.600 > 13 53 Te 0.18952326107585 0.46507589376865 0.12345078285064 127.600 > 14 54 Te 0.68952326107585 0.46507589376865 0.12345078285064 127.600 > 14 55 Te 0.18952326107585 0.96507589376865 0.12345078285064 127.600 > 14 56 Te 0.68952326107585 0.96507589376865 0.12345078285064 127.600 > 14 57 Te 0.18952326107585 0.28492410623135 0.62345078285064 127.600 > 15 58 Te 0.68952326107585 0.28492410623135 0.62345078285064 127.600 > 15 59 Te 0.18952326107585 0.78492410623135 0.62345078285064 127.600 > 15 60 Te 0.68952326107585 0.78492410623135 0.62345078285064 127.600 > 15 61 Te 0.31047673892415 0.03492410623135 0.87654921714936 127.600 > 16 62 Te 0.81047673892415 0.03492410623135 0.87654921714936 127.600 > 16 63 Te 0.31047673892415 0.53492410623135 0.87654921714936 127.600 > 16 64 Te 0.81047673892415 0.53492410623135 0.87654921714936 127.600 > 16 *65 Cs 0.43190080217391 0.30585009920449 0.14398353061725 132.905 > 17 66 Cs 0.93190080217391 0.30585009920449 0.14398353061725 132.905 > 17 67 Cs 0.43190080217391 0.80585009920449 0.14398353061725 132.905 > 17 68 Cs 0.93190080217391 0.80585009920449 0.14398353061725 132.905 > 17 69 Cs 0.06809919782609 0.05585009920449 0.35601646938275 132.905 > 18 70 Cs 0.56809919782609 0.05585009920449 0.35601646938275 132.905 > 18 71 Cs 0.06809919782609 0.55585009920449 0.35601646938275 132.905 > 18 72 Cs 0.56809919782609 0.55585009920449 0.35601646938275 132.905 > 18 73 Cs 0.06809919782609 0.19414990079551 0.85601646938275 132.905 > 19 74 Cs 0.56809919782609 0.19414990079551 0.85601646938275 132.905 > 19 75 Cs 0.06809919782609 0.69414990079551 0.85601646938275 132.905 > 19 76 Cs 0.56809919782609 0.69414990079551 0.85601646938275 132.905 > 19 77 Cs 0.43190080217391 0.44414990079551 0.64398353061725 132.905 > 20 78 Cs 0.93190080217391 0.44414990079551 0.64398353061725 132.905 > 20 79 Cs 0.43190080217391 0.94414990079551 0.64398353061725 132.905 > 20 80 Cs 0.93190080217391 0.94414990079551 0.64398353061725 132.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2363189 0.0000000 1.2852393 0.0000000 14.9105164 0.0000000 1.2852370 0.0000000 11.2675501 -------------------------- Born effective charges -------------------------- 1 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 2 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 3 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 4 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 5 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 6 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 7 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 8 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 9 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 10 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 11 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 12 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 13 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 14 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 15 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 16 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 17 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 18 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 19 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 20 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.325 Solver_block: 200 / 640 - Time: 0.304 Solver_block: 300 / 640 - Time: 0.297 Solver_block: 400 / 640 - Time: 0.297 Solver_block: 500 / 640 - Time: 0.296 Solver_block: 600 / 640 - Time: 0.298 Solver_block: 640 / 640 - Time: 0.152 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.010 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:20:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:37]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450687850731853 0.000000000000000 0.000000000000000 b 0.000000000000000 6.663811730000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): 1 Se 0.35169497123683 0.49923149493122 0.20821786588257 78.960 2 Se 0.64830502876317 0.99923149493122 0.29178213411743 78.960 3 Se 0.64830502876317 0.50076850506878 0.79178213411743 78.960 4 Se 0.35169497123683 0.00076850506878 0.70821786588257 78.960 5 Se 0.53736376883879 0.80378859822535 0.42795068622234 78.960 6 Se 0.46263623116121 0.30378859822535 0.07204931377766 78.960 7 Se 0.46263623116121 0.19621140177465 0.57204931377766 78.960 8 Se 0.53736376883879 0.69621140177465 0.92795068622234 78.960 9 Se 0.11751737081111 0.90182399531421 0.96623307681180 78.960 10 Se 0.88248262918889 0.40182399531421 0.53376692318820 78.960 11 Se 0.88248262918889 0.09817600468579 0.03376692318820 78.960 12 Se 0.11751737081111 0.59817600468579 0.46623307681180 78.960 13 Te 0.62095347784830 0.43015178753730 0.37654921714936 127.600 14 Te 0.37904652215170 0.93015178753730 0.12345078285064 127.600 15 Te 0.37904652215170 0.56984821246270 0.62345078285064 127.600 16 Te 0.62095347784830 0.06984821246270 0.87654921714936 127.600 17 Cs 0.86380160434781 0.61170019840897 0.14398353061725 132.905 18 Cs 0.13619839565219 0.11170019840897 0.35601646938275 132.905 19 Cs 0.13619839565219 0.38829980159103 0.85601646938275 132.905 20 Cs 0.86380160434781 0.88829980159103 0.64398353061725 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.901375701463706 0.000000000000000 0.000000000000000 b 0.000000000000000 13.327623460000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): 1 Se 0.17584748561842 0.24961574746561 0.20821786588257 78.960 > 1 2 Se 0.67584748561842 0.24961574746561 0.20821786588257 78.960 > 1 3 Se 0.17584748561842 0.74961574746561 0.20821786588257 78.960 > 1 4 Se 0.67584748561842 0.74961574746561 0.20821786588257 78.960 > 1 5 Se 0.32415251438158 0.49961574746561 0.29178213411743 78.960 > 5 6 Se 0.82415251438158 0.49961574746561 0.29178213411743 78.960 > 5 7 Se 0.32415251438158 0.99961574746561 0.29178213411743 78.960 > 5 8 Se 0.82415251438158 0.99961574746561 0.29178213411743 78.960 > 5 9 Se 0.32415251438158 0.25038425253439 0.79178213411743 78.960 > 9 10 Se 0.82415251438158 0.25038425253439 0.79178213411743 78.960 > 9 11 Se 0.32415251438158 0.75038425253439 0.79178213411743 78.960 > 9 12 Se 0.82415251438158 0.75038425253439 0.79178213411743 78.960 > 9 13 Se 0.17584748561842 0.00038425253439 0.70821786588257 78.960 > 13 14 Se 0.67584748561842 0.00038425253439 0.70821786588257 78.960 > 13 15 Se 0.17584748561842 0.50038425253439 0.70821786588257 78.960 > 13 16 Se 0.67584748561842 0.50038425253439 0.70821786588257 78.960 > 13 17 Se 0.26868188441940 0.40189429911268 0.42795068622234 78.960 > 17 18 Se 0.76868188441940 0.40189429911268 0.42795068622234 78.960 > 17 19 Se 0.26868188441940 0.90189429911268 0.42795068622234 78.960 > 17 20 Se 0.76868188441940 0.90189429911268 0.42795068622234 78.960 > 17 21 Se 0.23131811558060 0.15189429911268 0.07204931377766 78.960 > 21 22 Se 0.73131811558060 0.15189429911268 0.07204931377766 78.960 > 21 23 Se 0.23131811558060 0.65189429911268 0.07204931377766 78.960 > 21 24 Se 0.73131811558060 0.65189429911268 0.07204931377766 78.960 > 21 25 Se 0.23131811558060 0.09810570088732 0.57204931377766 78.960 > 25 26 Se 0.73131811558060 0.09810570088732 0.57204931377766 78.960 > 25 27 Se 0.23131811558060 0.59810570088732 0.57204931377766 78.960 > 25 28 Se 0.73131811558060 0.59810570088732 0.57204931377766 78.960 > 25 29 Se 0.26868188441940 0.34810570088732 0.92795068622234 78.960 > 29 30 Se 0.76868188441940 0.34810570088732 0.92795068622234 78.960 > 29 31 Se 0.26868188441940 0.84810570088732 0.92795068622234 78.960 > 29 32 Se 0.76868188441940 0.84810570088732 0.92795068622234 78.960 > 29 33 Se 0.05875868540556 0.45091199765710 0.96623307681180 78.960 > 33 34 Se 0.55875868540556 0.45091199765710 0.96623307681180 78.960 > 33 35 Se 0.05875868540556 0.95091199765710 0.96623307681180 78.960 > 33 36 Se 0.55875868540556 0.95091199765710 0.96623307681180 78.960 > 33 37 Se 0.44124131459444 0.20091199765710 0.53376692318820 78.960 > 37 38 Se 0.94124131459444 0.20091199765710 0.53376692318820 78.960 > 37 39 Se 0.44124131459444 0.70091199765710 0.53376692318820 78.960 > 37 40 Se 0.94124131459444 0.70091199765710 0.53376692318820 78.960 > 37 41 Se 0.44124131459444 0.04908800234290 0.03376692318820 78.960 > 41 42 Se 0.94124131459444 0.04908800234290 0.03376692318820 78.960 > 41 43 Se 0.44124131459444 0.54908800234290 0.03376692318820 78.960 > 41 44 Se 0.94124131459444 0.54908800234290 0.03376692318820 78.960 > 41 45 Se 0.05875868540556 0.29908800234290 0.46623307681180 78.960 > 45 46 Se 0.55875868540556 0.29908800234290 0.46623307681180 78.960 > 45 47 Se 0.05875868540556 0.79908800234290 0.46623307681180 78.960 > 45 48 Se 0.55875868540556 0.79908800234290 0.46623307681180 78.960 > 45 49 Te 0.31047673892415 0.21507589376865 0.37654921714936 127.600 > 49 50 Te 0.81047673892415 0.21507589376865 0.37654921714936 127.600 > 49 51 Te 0.31047673892415 0.71507589376865 0.37654921714936 127.600 > 49 52 Te 0.81047673892415 0.71507589376865 0.37654921714936 127.600 > 49 53 Te 0.18952326107585 0.46507589376865 0.12345078285064 127.600 > 53 54 Te 0.68952326107585 0.46507589376865 0.12345078285064 127.600 > 53 55 Te 0.18952326107585 0.96507589376865 0.12345078285064 127.600 > 53 56 Te 0.68952326107585 0.96507589376865 0.12345078285064 127.600 > 53 57 Te 0.18952326107585 0.28492410623135 0.62345078285064 127.600 > 57 58 Te 0.68952326107585 0.28492410623135 0.62345078285064 127.600 > 57 59 Te 0.18952326107585 0.78492410623135 0.62345078285064 127.600 > 57 60 Te 0.68952326107585 0.78492410623135 0.62345078285064 127.600 > 57 61 Te 0.31047673892415 0.03492410623135 0.87654921714936 127.600 > 61 62 Te 0.81047673892415 0.03492410623135 0.87654921714936 127.600 > 61 63 Te 0.31047673892415 0.53492410623135 0.87654921714936 127.600 > 61 64 Te 0.81047673892415 0.53492410623135 0.87654921714936 127.600 > 61 65 Cs 0.43190080217391 0.30585009920449 0.14398353061725 132.905 > 65 66 Cs 0.93190080217391 0.30585009920449 0.14398353061725 132.905 > 65 67 Cs 0.43190080217391 0.80585009920449 0.14398353061725 132.905 > 65 68 Cs 0.93190080217391 0.80585009920449 0.14398353061725 132.905 > 65 69 Cs 0.06809919782609 0.05585009920449 0.35601646938275 132.905 > 69 70 Cs 0.56809919782609 0.05585009920449 0.35601646938275 132.905 > 69 71 Cs 0.06809919782609 0.55585009920449 0.35601646938275 132.905 > 69 72 Cs 0.56809919782609 0.55585009920449 0.35601646938275 132.905 > 69 73 Cs 0.06809919782609 0.19414990079551 0.85601646938275 132.905 > 73 74 Cs 0.56809919782609 0.19414990079551 0.85601646938275 132.905 > 73 75 Cs 0.06809919782609 0.69414990079551 0.85601646938275 132.905 > 73 76 Cs 0.56809919782609 0.69414990079551 0.85601646938275 132.905 > 73 77 Cs 0.43190080217391 0.44414990079551 0.64398353061725 132.905 > 77 78 Cs 0.93190080217391 0.44414990079551 0.64398353061725 132.905 > 77 79 Cs 0.43190080217391 0.94414990079551 0.64398353061725 132.905 > 77 80 Cs 0.93190080217391 0.94414990079551 0.64398353061725 132.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2363189 0.0000000 1.2852393 0.0000000 14.9105164 0.0000000 1.2852370 0.0000000 11.2675501 -------------------------- Born effective charges -------------------------- 1 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 2 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 3 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 4 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 5 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 6 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 7 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 8 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 9 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 10 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 11 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 12 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 13 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 14 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 15 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 16 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 17 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 18 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 19 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 20 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450687850731853 0.000000000000000 0.000000000000000 b 0.000000000000000 6.663811730000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): 1 Se 0.35169497123683 0.49923149493122 0.20821786588257 78.960 2 Se 0.64830502876317 0.99923149493122 0.29178213411743 78.960 3 Se 0.64830502876317 0.50076850506878 0.79178213411743 78.960 4 Se 0.35169497123683 0.00076850506878 0.70821786588257 78.960 5 Se 0.53736376883879 0.80378859822535 0.42795068622234 78.960 6 Se 0.46263623116121 0.30378859822535 0.07204931377766 78.960 7 Se 0.46263623116121 0.19621140177465 0.57204931377766 78.960 8 Se 0.53736376883879 0.69621140177465 0.92795068622234 78.960 9 Se 0.11751737081111 0.90182399531421 0.96623307681180 78.960 10 Se 0.88248262918889 0.40182399531421 0.53376692318820 78.960 11 Se 0.88248262918889 0.09817600468579 0.03376692318820 78.960 12 Se 0.11751737081111 0.59817600468579 0.46623307681180 78.960 13 Te 0.62095347784830 0.43015178753730 0.37654921714936 127.600 14 Te 0.37904652215170 0.93015178753730 0.12345078285064 127.600 15 Te 0.37904652215170 0.56984821246270 0.62345078285064 127.600 16 Te 0.62095347784830 0.06984821246270 0.87654921714936 127.600 17 Cs 0.86380160434781 0.61170019840897 0.14398353061725 132.905 18 Cs 0.13619839565219 0.11170019840897 0.35601646938275 132.905 19 Cs 0.13619839565219 0.38829980159103 0.85601646938275 132.905 20 Cs 0.86380160434781 0.88829980159103 0.64398353061725 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.901375701463706 0.000000000000000 0.000000000000000 b 0.000000000000000 13.327623460000000 0.000000000000000 c -1.090947070058557 0.000000000000000 13.039948830397021 Atomic positions (fractional): 1 Se 0.17584748561842 0.24961574746561 0.20821786588257 78.960 > 1 2 Se 0.67584748561842 0.24961574746561 0.20821786588257 78.960 > 1 3 Se 0.17584748561842 0.74961574746561 0.20821786588257 78.960 > 1 4 Se 0.67584748561842 0.74961574746561 0.20821786588257 78.960 > 1 5 Se 0.32415251438158 0.49961574746561 0.29178213411743 78.960 > 5 6 Se 0.82415251438158 0.49961574746561 0.29178213411743 78.960 > 5 7 Se 0.32415251438158 0.99961574746561 0.29178213411743 78.960 > 5 8 Se 0.82415251438158 0.99961574746561 0.29178213411743 78.960 > 5 9 Se 0.32415251438158 0.25038425253439 0.79178213411743 78.960 > 9 10 Se 0.82415251438158 0.25038425253439 0.79178213411743 78.960 > 9 11 Se 0.32415251438158 0.75038425253439 0.79178213411743 78.960 > 9 12 Se 0.82415251438158 0.75038425253439 0.79178213411743 78.960 > 9 13 Se 0.17584748561842 0.00038425253439 0.70821786588257 78.960 > 13 14 Se 0.67584748561842 0.00038425253439 0.70821786588257 78.960 > 13 15 Se 0.17584748561842 0.50038425253439 0.70821786588257 78.960 > 13 16 Se 0.67584748561842 0.50038425253439 0.70821786588257 78.960 > 13 17 Se 0.26868188441940 0.40189429911268 0.42795068622234 78.960 > 17 18 Se 0.76868188441940 0.40189429911268 0.42795068622234 78.960 > 17 19 Se 0.26868188441940 0.90189429911268 0.42795068622234 78.960 > 17 20 Se 0.76868188441940 0.90189429911268 0.42795068622234 78.960 > 17 21 Se 0.23131811558060 0.15189429911268 0.07204931377766 78.960 > 21 22 Se 0.73131811558060 0.15189429911268 0.07204931377766 78.960 > 21 23 Se 0.23131811558060 0.65189429911268 0.07204931377766 78.960 > 21 24 Se 0.73131811558060 0.65189429911268 0.07204931377766 78.960 > 21 25 Se 0.23131811558060 0.09810570088732 0.57204931377766 78.960 > 25 26 Se 0.73131811558060 0.09810570088732 0.57204931377766 78.960 > 25 27 Se 0.23131811558060 0.59810570088732 0.57204931377766 78.960 > 25 28 Se 0.73131811558060 0.59810570088732 0.57204931377766 78.960 > 25 29 Se 0.26868188441940 0.34810570088732 0.92795068622234 78.960 > 29 30 Se 0.76868188441940 0.34810570088732 0.92795068622234 78.960 > 29 31 Se 0.26868188441940 0.84810570088732 0.92795068622234 78.960 > 29 32 Se 0.76868188441940 0.84810570088732 0.92795068622234 78.960 > 29 33 Se 0.05875868540556 0.45091199765710 0.96623307681180 78.960 > 33 34 Se 0.55875868540556 0.45091199765710 0.96623307681180 78.960 > 33 35 Se 0.05875868540556 0.95091199765710 0.96623307681180 78.960 > 33 36 Se 0.55875868540556 0.95091199765710 0.96623307681180 78.960 > 33 37 Se 0.44124131459444 0.20091199765710 0.53376692318820 78.960 > 37 38 Se 0.94124131459444 0.20091199765710 0.53376692318820 78.960 > 37 39 Se 0.44124131459444 0.70091199765710 0.53376692318820 78.960 > 37 40 Se 0.94124131459444 0.70091199765710 0.53376692318820 78.960 > 37 41 Se 0.44124131459444 0.04908800234290 0.03376692318820 78.960 > 41 42 Se 0.94124131459444 0.04908800234290 0.03376692318820 78.960 > 41 43 Se 0.44124131459444 0.54908800234290 0.03376692318820 78.960 > 41 44 Se 0.94124131459444 0.54908800234290 0.03376692318820 78.960 > 41 45 Se 0.05875868540556 0.29908800234290 0.46623307681180 78.960 > 45 46 Se 0.55875868540556 0.29908800234290 0.46623307681180 78.960 > 45 47 Se 0.05875868540556 0.79908800234290 0.46623307681180 78.960 > 45 48 Se 0.55875868540556 0.79908800234290 0.46623307681180 78.960 > 45 49 Te 0.31047673892415 0.21507589376865 0.37654921714936 127.600 > 49 50 Te 0.81047673892415 0.21507589376865 0.37654921714936 127.600 > 49 51 Te 0.31047673892415 0.71507589376865 0.37654921714936 127.600 > 49 52 Te 0.81047673892415 0.71507589376865 0.37654921714936 127.600 > 49 53 Te 0.18952326107585 0.46507589376865 0.12345078285064 127.600 > 53 54 Te 0.68952326107585 0.46507589376865 0.12345078285064 127.600 > 53 55 Te 0.18952326107585 0.96507589376865 0.12345078285064 127.600 > 53 56 Te 0.68952326107585 0.96507589376865 0.12345078285064 127.600 > 53 57 Te 0.18952326107585 0.28492410623135 0.62345078285064 127.600 > 57 58 Te 0.68952326107585 0.28492410623135 0.62345078285064 127.600 > 57 59 Te 0.18952326107585 0.78492410623135 0.62345078285064 127.600 > 57 60 Te 0.68952326107585 0.78492410623135 0.62345078285064 127.600 > 57 61 Te 0.31047673892415 0.03492410623135 0.87654921714936 127.600 > 61 62 Te 0.81047673892415 0.03492410623135 0.87654921714936 127.600 > 61 63 Te 0.31047673892415 0.53492410623135 0.87654921714936 127.600 > 61 64 Te 0.81047673892415 0.53492410623135 0.87654921714936 127.600 > 61 65 Cs 0.43190080217391 0.30585009920449 0.14398353061725 132.905 > 65 66 Cs 0.93190080217391 0.30585009920449 0.14398353061725 132.905 > 65 67 Cs 0.43190080217391 0.80585009920449 0.14398353061725 132.905 > 65 68 Cs 0.93190080217391 0.80585009920449 0.14398353061725 132.905 > 65 69 Cs 0.06809919782609 0.05585009920449 0.35601646938275 132.905 > 69 70 Cs 0.56809919782609 0.05585009920449 0.35601646938275 132.905 > 69 71 Cs 0.06809919782609 0.55585009920449 0.35601646938275 132.905 > 69 72 Cs 0.56809919782609 0.55585009920449 0.35601646938275 132.905 > 69 73 Cs 0.06809919782609 0.19414990079551 0.85601646938275 132.905 > 73 74 Cs 0.56809919782609 0.19414990079551 0.85601646938275 132.905 > 73 75 Cs 0.06809919782609 0.69414990079551 0.85601646938275 132.905 > 73 76 Cs 0.56809919782609 0.69414990079551 0.85601646938275 132.905 > 73 77 Cs 0.43190080217391 0.44414990079551 0.64398353061725 132.905 > 77 78 Cs 0.93190080217391 0.44414990079551 0.64398353061725 132.905 > 77 79 Cs 0.43190080217391 0.94414990079551 0.64398353061725 132.905 > 77 80 Cs 0.93190080217391 0.94414990079551 0.64398353061725 132.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2363189 0.0000000 1.2852393 0.0000000 14.9105164 0.0000000 1.2852370 0.0000000 11.2675501 -------------------------- Born effective charges -------------------------- 1 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 2 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 3 Se -1.4279561 0.6106207 -0.7059661 1.0372309 -3.0615740 0.1774030 -0.7914981 0.6215186 -2.2356599 4 Se -1.4279561 -0.6106207 -0.7059661 -1.0372309 -3.0615740 -0.1774030 -0.7914981 -0.6215186 -2.2356599 5 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 6 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 7 Se -0.6943605 0.4001456 -0.7475275 1.7000316 -1.5239019 -2.4010535 -0.7097055 -1.7342768 0.3019123 8 Se -0.6943605 -0.4001456 -0.7475275 -1.7000316 -1.5239019 2.4010535 -0.7097055 1.7342768 0.3019123 9 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 10 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 11 Se -0.7444179 -0.4305076 -1.2332530 -0.5093887 -0.5785407 0.0481023 -1.4406946 -0.0061661 -2.5641713 12 Se -0.7444179 0.4305076 -1.2332530 0.5093887 -0.5785407 -0.0481023 -1.4406946 0.0061661 -2.5641713 13 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 14 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 15 Te 1.2507094 -0.9187338 2.6417752 -1.6582845 3.6688146 1.8457003 2.9721303 1.1257804 3.1110477 16 Te 1.2507094 0.9187338 2.6417752 1.6582845 3.6688146 -1.8457003 2.9721303 -1.1257804 3.1110477 17 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 18 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 19 Cs 1.6160251 -0.0977931 0.0449714 -0.0321770 1.4952021 -0.0596418 -0.0302321 -0.1135160 1.3868712 20 Cs 1.6160251 0.0977931 0.0449714 0.0321770 1.4952021 0.0596418 -0.0302321 0.1135160 1.3868712 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 7 8 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: 0.48, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 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 0.913 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 11.340 0.000 -10.057) 15.157 0.218 ( 11.185 0.000 0.735) 11.209 0.478 ( 23.262 0.000 7.408) 24.413 0.822 ( -7.255 0.000 -10.456) 12.726 0.989 ( -2.330 0.000 6.529) 6.933 1.001 ( 1.075 0.000 1.893) 2.177 1.147 ( -0.104 0.000 2.998) 3.000 1.235 ( 3.373 0.000 -1.535) 3.706 1.236 ( -0.859 0.000 -0.695) 1.105 1.355 ( -3.380 0.000 -2.523) 4.218 1.360 ( -4.217 0.000 0.748) 4.283 1.419 ( -0.343 0.000 1.652) 1.687 1.429 ( 0.312 0.000 -8.225) 8.231 1.506 ( -0.986 0.000 0.156) 0.998 1.548 ( 3.987 0.000 1.003) 4.111 1.614 ( -2.255 0.000 -4.119) 4.696 1.701 ( 3.567 0.000 4.766) 5.953 1.709 ( -3.222 0.000 3.680) 4.892 1.747 ( 4.735 0.000 4.652) 6.638 1.812 ( -0.031 0.000 -2.107) 2.107 1.849 ( 0.675 0.000 -2.479) 2.570 1.865 ( -2.076 0.000 -2.185) 3.014 1.948 ( -1.112 0.000 -0.819) 1.381 2.075 ( -0.377 0.000 0.604) 0.712 2.087 ( 0.710 0.000 -0.484) 0.860 2.162 ( -0.472 0.000 2.277) 2.325 2.522 ( -1.014 0.000 -0.192) 1.032 2.626 ( -1.588 0.000 4.481) 4.754 2.672 ( -0.467 0.000 -1.414) 1.489 2.676 ( -1.722 0.000 1.043) 2.014 2.800 ( 2.222 0.000 5.159) 5.617 2.877 ( 1.084 0.000 -0.451) 1.174 2.980 ( 0.527 0.000 -1.070) 1.193 2.987 ( -1.441 0.000 0.637) 1.576 3.040 ( 0.238 0.000 1.020) 1.048 3.146 ( -1.257 0.000 -1.491) 1.950 3.153 ( -1.423 0.000 1.198) 1.860 3.184 ( 0.035 0.000 6.909) 6.909 3.287 ( -0.497 0.000 -2.972) 3.013 3.362 ( 3.231 0.000 1.674) 3.639 3.394 ( -2.046 0.000 -1.335) 2.443 3.440 ( -2.373 0.000 -4.630) 5.202 3.945 ( -1.254 0.000 15.216) 15.267 3.997 ( 2.457 0.000 -0.104) 2.459 4.010 ( 1.778 0.000 -0.521) 1.853 4.149 ( -7.162 0.000 -1.830) 7.392 4.412 ( -2.867 0.000 -1.686) 3.326 4.560 ( -6.633 0.000 25.183) 26.042 4.729 ( 3.171 0.000 15.936) 16.248 4.796 ( 0.640 0.000 -2.154) 2.247 5.143 ( -0.852 0.000 -0.517) 0.996 5.148 ( -0.111 0.000 0.769) 0.777 5.236 ( -1.335 0.000 -0.398) 1.393 5.295 ( -0.096 0.000 0.272) 0.288 6.674 ( 0.457 0.000 -3.067) 3.101 6.693 ( -0.159 0.000 0.233) 0.282 6.726 ( -0.053 0.000 -0.274) 0.279 6.832 ( 0.136 0.000 -0.023) 0.138 7.106 ( 0.613 0.000 -0.002) 0.613 7.119 ( 0.257 0.000 0.090) 0.272 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 11.531 0.000 -7.529) 13.772 0.424 ( 9.825 0.000 -0.193) 9.827 0.689 ( -2.768 0.000 -12.460) 12.764 0.880 ( 15.920 0.000 2.295) 16.085 0.965 ( -1.002 0.000 4.917) 5.018 1.039 ( 2.364 0.000 3.447) 4.180 1.150 ( -0.921 0.000 5.073) 5.156 1.192 ( -2.663 0.000 4.459) 5.194 1.258 ( -4.061 0.000 0.846) 4.148 1.309 ( 2.162 0.000 -0.939) 2.357 1.317 ( 0.323 0.000 -5.126) 5.136 1.421 ( 0.175 0.000 2.588) 2.594 1.463 ( 3.590 0.000 -4.229) 5.547 1.481 ( -2.572 0.000 -3.421) 4.280 1.530 ( -3.706 0.000 -3.951) 5.418 1.637 ( 3.115 0.000 2.215) 3.822 1.642 ( -4.040 0.000 5.791) 7.061 1.691 ( -0.580 0.000 -0.064) 0.584 1.805 ( 0.016 0.000 -4.022) 4.022 1.825 ( 0.411 0.000 0.242) 0.477 1.862 ( 0.157 0.000 -1.740) 1.747 1.882 ( 3.611 0.000 2.448) 4.363 1.920 ( -1.417 0.000 0.151) 1.425 2.059 ( -1.564 0.000 0.406) 1.616 2.079 ( -1.793 0.000 -0.613) 1.895 2.151 ( -1.112 0.000 2.293) 2.549 2.508 ( -0.314 0.000 0.102) 0.330 2.581 ( -2.477 0.000 -1.217) 2.760 2.643 ( -2.006 0.000 -2.008) 2.838 2.685 ( 1.228 0.000 5.219) 5.362 2.846 ( 2.106 0.000 5.204) 5.614 2.884 ( -0.349 0.000 -0.094) 0.361 2.969 ( -2.395 0.000 -1.115) 2.642 2.982 ( -0.048 0.000 -1.394) 1.395 3.037 ( 0.920 0.000 0.291) 0.965 3.115 ( -2.481 0.000 -2.486) 3.512 3.130 ( 0.581 0.000 0.535) 0.790 3.209 ( 1.565 0.000 5.744) 5.953 3.277 ( 0.296 0.000 -4.109) 4.120 3.334 ( -3.850 0.000 -2.353) 4.512 3.383 ( -2.737 0.000 -1.710) 3.228 3.435 ( 3.468 0.000 2.190) 4.102 3.947 ( -0.333 0.000 7.744) 7.751 3.986 ( -7.257 0.000 -2.009) 7.530 4.040 ( 1.695 0.000 -1.218) 2.087 4.057 ( 2.203 0.000 -1.923) 2.924 4.350 ( -2.968 0.000 -1.030) 3.142 4.465 ( -5.834 0.000 9.169) 10.868 4.798 ( -0.084 0.000 -2.570) 2.571 4.819 ( 3.941 0.000 7.755) 8.699 5.120 ( -1.370 0.000 -0.848) 1.611 5.148 ( 0.029 0.000 1.554) 1.555 5.203 ( -1.802 0.000 -1.028) 2.075 5.293 ( -0.155 0.000 0.207) 0.259 6.679 ( 0.341 0.000 -0.819) 0.887 6.690 ( -0.233 0.000 0.269) 0.355 6.724 ( -0.085 0.000 -0.396) 0.405 6.836 ( 0.209 0.000 -0.032) 0.212 7.120 ( 0.737 0.000 -0.008) 0.737 7.125 ( 0.343 0.000 0.125) 0.366 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 5.191 0.000 -2.042) 5.578 0.580 ( 6.482 0.000 -3.043) 7.161 0.673 ( 0.477 0.000 -4.020) 4.048 0.975 ( 1.640 0.000 1.701) 2.363 1.007 ( -0.642 0.000 -1.529) 1.659 1.072 ( 1.039 0.000 1.421) 1.760 1.130 ( -1.027 0.000 1.720) 2.003 1.162 ( -4.966 0.000 1.747) 5.264 1.247 ( 4.377 0.000 6.438) 7.785 1.326 ( 0.850 0.000 -3.213) 3.324 1.356 ( 1.787 0.000 -0.762) 1.943 1.376 ( -4.630 0.000 -4.180) 6.238 1.448 ( 1.762 0.000 1.539) 2.340 1.516 ( -0.091 0.000 0.266) 0.282 1.518 ( 1.613 0.000 -1.273) 2.055 1.617 ( 2.245 0.000 5.576) 6.011 1.637 ( 0.118 0.000 -0.760) 0.769 1.746 ( 2.487 0.000 2.417) 3.468 1.755 ( -4.768 0.000 -6.454) 8.024 1.827 ( -0.128 0.000 0.092) 0.157 1.855 ( -0.202 0.000 0.048) 0.207 1.909 ( 0.021 0.000 0.562) 0.562 1.926 ( 0.583 0.000 1.914) 2.001 2.034 ( -1.797 0.000 -0.545) 1.878 2.036 ( 0.123 0.000 -1.729) 1.734 2.119 ( -2.231 0.000 0.844) 2.385 2.507 ( 0.018 0.000 0.099) 0.101 2.544 ( -0.994 0.000 -0.738) 1.238 2.608 ( -1.005 0.000 -0.856) 1.321 2.710 ( 0.446 0.000 2.126) 2.172 2.877 ( -0.243 0.000 0.659) 0.702 2.894 ( -2.942 0.000 -1.923) 3.515 2.908 ( 3.215 0.000 5.060) 5.995 2.974 ( -0.762 0.000 -2.485) 2.599 3.055 ( -2.645 0.000 -1.985) 3.307 3.085 ( 2.268 0.000 0.627) 2.353 3.162 ( 2.155 0.000 0.861) 2.321 3.250 ( -3.941 0.000 -1.716) 4.299 3.250 ( 1.306 0.000 3.188) 3.445 3.287 ( 1.274 0.000 -3.192) 3.437 3.334 ( -2.138 0.000 0.077) 2.139 3.483 ( 1.128 0.000 0.848) 1.411 3.879 ( -2.925 0.000 -1.016) 3.097 3.960 ( 0.577 0.000 2.914) 2.971 4.051 ( -0.168 0.000 -1.132) 1.145 4.099 ( 1.713 0.000 -0.766) 1.877 4.305 ( -1.469 0.000 -0.189) 1.481 4.387 ( -2.636 0.000 2.673) 3.754 4.790 ( -0.274 0.000 -1.147) 1.179 4.889 ( 2.021 0.000 2.677) 3.354 5.094 ( -0.929 0.000 -0.602) 1.107 5.155 ( 0.346 0.000 2.116) 2.144 5.172 ( -1.097 0.000 -1.851) 2.151 5.291 ( -0.080 0.000 0.074) 0.109 6.683 ( 0.144 0.000 -0.127) 0.192 6.686 ( -0.113 0.000 0.112) 0.159 6.722 ( -0.048 0.000 -0.205) 0.211 6.839 ( 0.105 0.000 -0.015) 0.106 7.131 ( 0.317 0.000 -0.005) 0.317 7.131 ( 0.163 0.000 0.060) 0.173 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 0.000 11.929 0.000) 11.929 0.357 ( 0.000 18.094 0.000) 18.094 0.559 ( 0.000 28.113 0.000) 28.113 0.909 ( 0.000 -2.919 0.000) 2.919 0.931 ( 0.000 0.152 0.000) 0.152 1.073 ( 0.000 2.806 0.000) 2.806 1.120 ( 0.000 -1.460 0.000) 1.460 1.213 ( 0.000 -2.087 0.000) 2.087 1.326 ( 0.000 4.511 0.000) 4.511 1.358 ( 0.000 -2.214 0.000) 2.214 1.402 ( 0.000 -1.400 0.000) 1.400 1.461 ( 0.000 -2.433 0.000) 2.433 1.472 ( 0.000 2.891 0.000) 2.891 1.486 ( 0.000 -2.383 0.000) 2.383 1.569 ( 0.000 6.455 0.000) 6.455 1.621 ( 0.000 4.372 0.000) 4.372 1.651 ( 0.000 1.816 0.000) 1.816 1.659 ( 0.000 2.692 0.000) 2.692 1.736 ( 0.000 -1.712 0.000) 1.712 1.768 ( 0.000 2.795 0.000) 2.795 1.817 ( 0.000 -0.879 0.000) 0.879 1.899 ( 0.000 1.281 0.000) 1.281 1.938 ( 0.000 -1.424 0.000) 1.424 2.060 ( 0.000 -1.644 0.000) 1.644 2.131 ( 0.000 4.302 0.000) 4.302 2.226 ( 0.000 2.003 0.000) 2.003 2.539 ( 0.000 -3.105 0.000) 3.105 2.583 ( 0.000 -3.025 0.000) 3.025 2.638 ( 0.000 -3.147 0.000) 3.147 2.674 ( 0.000 -5.095 0.000) 5.095 2.725 ( 0.000 0.267 0.000) 0.267 2.877 ( 0.000 -2.595 0.000) 2.595 2.956 ( 0.000 -0.655 0.000) 0.655 2.979 ( 0.000 -3.049 0.000) 3.049 3.063 ( 0.000 -2.754 0.000) 2.754 3.150 ( 0.000 -4.498 0.000) 4.498 3.161 ( 0.000 2.642 0.000) 2.642 3.170 ( 0.000 -0.656 0.000) 0.656 3.339 ( 0.000 2.117 0.000) 2.117 3.363 ( 0.000 -2.129 0.000) 2.129 3.472 ( 0.000 4.038 0.000) 4.038 3.489 ( 0.000 2.284 0.000) 2.284 3.773 ( 0.000 1.931 0.000) 1.931 3.957 ( 0.000 -0.553 0.000) 0.553 4.042 ( 0.000 -0.262 0.000) 0.262 4.173 ( 0.000 -4.368 0.000) 4.368 4.360 ( 0.000 1.900 0.000) 1.900 4.427 ( 0.000 -1.483 0.000) 1.483 4.668 ( 0.000 0.265 0.000) 0.265 4.777 ( 0.000 -1.294 0.000) 1.294 5.230 ( 0.000 7.312 0.000) 7.312 5.282 ( 0.000 3.927 0.000) 3.927 5.304 ( 0.000 4.364 0.000) 4.364 5.506 ( 0.000 -1.193 0.000) 1.193 6.661 ( 0.000 -0.040 0.000) 0.040 6.696 ( 0.000 0.316 0.000) 0.316 6.728 ( 0.000 0.194 0.000) 0.194 6.904 ( 0.000 -1.462 0.000) 1.462 7.098 ( 0.000 -0.121 0.000) 0.121 7.114 ( 0.000 -0.239 0.000) 0.239 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 4.862 14.042 1.053) 14.897 0.442 ( 9.842 12.080 2.677) 15.810 0.679 ( 11.983 18.680 0.057) 22.193 0.854 ( -5.643 2.974 -9.036) 11.060 0.920 ( 0.818 -1.897 3.159) 3.774 1.059 ( 0.209 1.600 0.364) 1.654 1.170 ( -2.440 -0.410 -1.052) 2.689 1.175 ( 3.127 -0.126 0.959) 3.273 1.298 ( -3.687 0.789 1.722) 4.145 1.332 ( -0.637 0.609 -1.388) 1.644 1.388 ( -3.258 1.676 1.647) 4.017 1.416 ( -0.095 -0.264 0.128) 0.308 1.437 ( -0.237 -1.003 -4.233) 4.357 1.525 ( 0.424 1.206 0.864) 1.543 1.578 ( 1.930 2.072 -2.391) 3.706 1.613 ( -2.644 1.066 1.953) 3.456 1.683 ( 1.527 2.583 -1.081) 3.189 1.717 ( -1.142 -1.629 1.639) 2.577 1.755 ( 5.047 0.513 3.136) 5.964 1.783 ( -0.290 0.764 2.682) 2.803 1.826 ( 1.756 -1.029 0.082) 2.037 1.883 ( -0.856 1.989 -1.772) 2.798 1.931 ( -0.424 -0.701 -1.514) 1.722 2.053 ( -0.455 -1.540 0.816) 1.801 2.131 ( -0.211 3.707 0.303) 3.725 2.206 ( -1.508 2.731 0.750) 3.208 2.507 ( -1.879 -2.406 -0.426) 3.082 2.594 ( 0.739 -2.676 2.178) 3.528 2.646 ( -0.387 -3.114 -0.902) 3.265 2.683 ( -0.062 -0.077 -1.187) 1.191 2.725 ( 1.179 -4.300 3.914) 5.933 2.887 ( 0.617 -1.555 -0.425) 1.726 2.929 ( -1.363 -2.197 -0.553) 2.643 2.985 ( 0.218 -3.365 0.734) 3.451 3.038 ( -1.907 -0.875 -1.144) 2.390 3.143 ( -0.664 -1.565 -0.862) 1.906 3.160 ( -0.690 0.941 -0.126) 1.173 3.186 ( 1.228 -0.120 4.155) 4.334 3.302 ( -2.722 1.480 -2.231) 3.818 3.359 ( -0.622 -0.908 -2.423) 2.661 3.436 ( -0.402 4.954 1.809) 5.289 3.466 ( -2.227 1.505 -2.884) 3.942 3.869 ( 4.591 -2.347 9.508) 10.816 3.977 ( 1.712 -0.770 -0.579) 1.964 4.045 ( 0.810 0.462 -0.751) 1.197 4.112 ( -5.944 -3.466 -1.604) 7.065 4.396 ( 0.503 -3.401 5.746) 6.696 4.404 ( -1.572 -1.219 0.332) 2.017 4.699 ( 3.078 -0.576 2.952) 4.304 4.787 ( 1.061 -0.999 -1.815) 2.328 5.217 ( -1.156 6.938 -0.413) 7.046 5.267 ( -1.468 4.522 0.542) 4.785 5.299 ( -0.503 4.783 -0.196) 4.814 5.426 ( -5.834 5.366 2.375) 8.275 6.666 ( 0.411 -0.330 -0.659) 0.844 6.695 ( -0.139 0.329 0.226) 0.422 6.728 ( -0.071 0.179 -0.253) 0.318 6.869 ( -2.147 0.695 -0.367) 2.286 7.104 ( 0.573 -0.162 -0.036) 0.596 7.117 ( 0.257 -0.238 0.080) 0.359 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 8.546 10.476 -0.038) 13.519 0.590 ( 4.962 10.488 -4.060) 12.292 0.735 ( 0.009 3.900 -9.584) 10.348 0.944 ( 2.476 -0.429 2.748) 3.724 0.985 ( 10.685 9.770 -0.028) 14.478 1.067 ( 1.692 2.492 1.584) 3.404 1.152 ( 0.272 -1.295 1.414) 1.937 1.181 ( -3.602 0.703 2.653) 4.528 1.264 ( 1.351 0.002 1.088) 1.734 1.323 ( -1.035 3.746 1.328) 4.107 1.331 ( -1.399 0.650 -0.838) 1.755 1.411 ( -0.215 -0.771 1.705) 1.884 1.471 ( 1.240 -0.898 -2.908) 3.286 1.496 ( -0.923 1.281 -3.059) 3.442 1.539 ( -3.254 0.248 1.929) 3.791 1.631 ( 0.027 -0.483 -0.147) 0.506 1.652 ( -1.728 1.381 3.352) 4.016 1.711 ( -0.403 2.549 -0.576) 2.644 1.764 ( 0.465 -1.126 -2.496) 2.777 1.808 ( -0.043 -4.327 0.496) 4.355 1.869 ( -0.212 2.193 -0.453) 2.249 1.888 ( 2.589 0.037 2.124) 3.349 1.921 ( -0.334 0.601 -0.944) 1.168 2.041 ( -1.284 -0.750 0.481) 1.563 2.116 ( -1.411 3.223 -0.416) 3.543 2.183 ( -1.173 2.863 1.034) 3.262 2.485 ( -0.361 -1.906 0.034) 1.940 2.596 ( -1.291 0.534 -1.526) 2.069 2.636 ( -0.869 -0.996 -0.680) 1.486 2.673 ( 0.814 -1.315 2.662) 3.078 2.773 ( 2.138 -5.480 4.531) 7.425 2.890 ( -0.097 -0.463 0.056) 0.476 2.916 ( -0.617 -4.048 -0.049) 4.095 2.952 ( -3.429 -5.031 -1.332) 6.232 3.033 ( 1.836 1.014 -0.476) 2.151 3.117 ( -2.019 -0.026 -1.829) 2.724 3.149 ( 0.124 1.431 0.880) 1.684 3.214 ( 0.862 -0.376 3.984) 4.093 3.256 ( -1.615 -1.499 -3.516) 4.149 3.332 ( -1.207 1.048 -2.747) 3.178 3.394 ( -3.373 0.776 -1.065) 3.621 3.484 ( 2.718 3.472 2.396) 5.019 3.932 ( 0.379 -0.697 5.317) 5.376 3.959 ( -4.671 -2.357 -1.453) 5.430 4.026 ( 0.472 -0.992 -2.147) 2.411 4.072 ( 1.773 0.381 -0.885) 2.018 4.354 ( -2.362 0.304 -0.390) 2.413 4.387 ( -2.681 -4.477 4.492) 6.885 4.760 ( 1.528 -2.229 -0.175) 2.708 4.822 ( 3.139 -0.190 2.315) 3.905 5.190 ( -1.416 6.517 -0.551) 6.692 5.234 ( -1.883 5.136 0.643) 5.508 5.284 ( -1.005 6.745 -0.080) 6.820 5.349 ( -2.392 5.245 1.223) 5.893 6.672 ( 0.205 -0.529 -0.398) 0.694 6.693 ( -0.047 0.428 0.319) 0.536 6.725 ( -0.145 0.111 -0.395) 0.435 6.842 ( -0.666 0.281 -0.107) 0.731 7.117 ( 0.704 -0.245 -0.026) 0.746 7.123 ( 0.328 -0.250 0.105) 0.426 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 2.415 4.711 -2.548) 5.875 0.660 ( 6.473 8.013 -2.075) 10.508 0.767 ( 0.216 6.730 -2.441) 7.162 0.967 ( 1.846 0.613 0.198) 1.955 1.065 ( 1.667 1.569 0.232) 2.301 1.107 ( -1.399 7.061 -0.165) 7.200 1.123 ( -1.409 -0.325 2.222) 2.652 1.170 ( -2.287 1.169 0.532) 2.623 1.267 ( 1.269 -2.490 -1.545) 3.193 1.334 ( -0.111 -0.422 -0.768) 0.883 1.350 ( 2.090 4.407 3.067) 5.762 1.397 ( -2.443 2.045 -2.404) 3.991 1.452 ( 3.371 1.438 3.871) 5.330 1.499 ( -1.447 -0.326 -0.764) 1.669 1.557 ( 2.741 1.670 -0.642) 3.273 1.605 ( -0.389 -1.319 3.522) 3.781 1.640 ( 0.165 0.544 -0.752) 0.943 1.708 ( -1.369 -1.177 -0.230) 1.820 1.781 ( 1.377 1.122 -1.819) 2.542 1.798 ( -0.447 -4.600 -0.068) 4.623 1.840 ( -2.190 0.062 -0.175) 2.198 1.918 ( 0.415 0.746 -0.217) 0.881 1.919 ( -0.176 -0.387 1.923) 1.970 2.020 ( -0.275 0.420 -0.494) 0.704 2.088 ( -0.821 4.057 -1.017) 4.262 2.156 ( -1.423 3.449 0.132) 3.734 2.492 ( 0.898 -1.116 0.415) 1.491 2.549 ( -2.410 0.445 -1.225) 2.740 2.627 ( 0.110 1.041 -1.045) 1.479 2.697 ( 0.576 -1.537 1.889) 2.503 2.816 ( 1.371 -5.480 3.145) 6.465 2.860 ( -2.603 -3.612 -1.733) 4.777 2.896 ( 0.399 -1.405 1.210) 1.896 2.930 ( 0.087 -3.870 -0.812) 3.955 3.056 ( -1.055 0.165 -1.235) 1.633 3.086 ( 0.647 0.652 -0.012) 0.919 3.169 ( 1.459 0.834 0.557) 1.770 3.218 ( -1.880 -2.173 -1.519) 3.250 3.231 ( 0.470 -2.158 1.453) 2.643 3.312 ( -0.682 1.938 -2.027) 2.887 3.345 ( -1.061 1.258 0.494) 1.718 3.526 ( 1.039 3.122 1.054) 3.455 3.861 ( -2.578 -1.319 -1.019) 3.070 3.965 ( 0.797 0.088 2.371) 2.503 4.033 ( -0.026 -1.355 -1.353) 1.915 4.103 ( 1.239 -0.068 -0.517) 1.344 4.318 ( -1.115 1.124 -0.248) 1.603 4.342 ( -1.788 -3.212 1.792) 4.089 4.767 ( 0.005 -1.674 -1.047) 1.975 4.883 ( 1.877 -0.681 1.952) 2.792 5.169 ( -0.527 7.061 -0.436) 7.094 5.204 ( -1.067 4.345 0.308) 4.484 5.269 ( -0.431 8.278 0.013) 8.289 5.325 ( -0.514 3.298 0.297) 3.351 6.673 ( 0.003 -0.598 -0.093) 0.606 6.694 ( 0.058 0.530 0.177) 0.562 6.722 ( -0.088 0.025 -0.227) 0.245 6.836 ( -0.099 -0.289 -0.018) 0.306 7.128 ( 0.305 -0.298 -0.009) 0.427 7.128 ( 0.153 -0.272 0.049) 0.316 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 10.572 0.000) 10.572 0.660 ( 0.000 13.817 0.000) 13.817 0.917 ( 0.000 3.920 0.000) 3.920 0.918 ( 0.000 3.981 0.000) 3.981 1.027 ( 0.000 8.456 0.000) 8.456 1.123 ( 0.000 2.885 0.000) 2.885 1.137 ( 0.000 9.017 0.000) 9.017 1.174 ( 0.000 -1.412 0.000) 1.412 1.301 ( 0.000 -3.374 0.000) 3.374 1.376 ( 0.000 -1.210 0.000) 1.210 1.387 ( 0.000 0.723 0.000) 0.723 1.411 ( 0.000 -2.749 0.000) 2.749 1.445 ( 0.000 -1.023 0.000) 1.023 1.530 ( 0.000 3.609 0.000) 3.609 1.630 ( 0.000 -2.140 0.000) 2.140 1.634 ( 0.000 -1.367 0.000) 1.367 1.711 ( 0.000 2.076 0.000) 2.076 1.723 ( 0.000 5.871 0.000) 5.871 1.751 ( 0.000 2.688 0.000) 2.688 1.805 ( 0.000 -0.708 0.000) 0.708 1.842 ( 0.000 5.258 0.000) 5.258 1.925 ( 0.000 0.559 0.000) 0.559 2.003 ( 0.000 9.487 0.000) 9.487 2.020 ( 0.000 -2.351 0.000) 2.351 2.201 ( 0.000 2.646 0.000) 2.646 2.261 ( 0.000 1.110 0.000) 1.110 2.474 ( 0.000 -3.765 0.000) 3.765 2.492 ( 0.000 -6.363 0.000) 6.363 2.569 ( 0.000 -3.892 0.000) 3.892 2.578 ( 0.000 -3.262 0.000) 3.262 2.715 ( 0.000 -1.363 0.000) 1.363 2.824 ( 0.000 -3.126 0.000) 3.126 2.900 ( 0.000 -5.405 0.000) 5.405 2.942 ( 0.000 -2.014 0.000) 2.014 3.034 ( 0.000 1.106 0.000) 1.106 3.092 ( 0.000 -0.557 0.000) 0.557 3.168 ( 0.000 0.699 0.000) 0.699 3.227 ( 0.000 3.425 0.000) 3.425 3.345 ( 0.000 0.211 0.000) 0.211 3.359 ( 0.000 0.373 0.000) 0.373 3.509 ( 0.000 -0.092 0.000) 0.092 3.513 ( 0.000 -0.276 0.000) 0.276 3.799 ( 0.000 0.604 0.000) 0.604 3.964 ( 0.000 1.442 0.000) 1.442 4.023 ( 0.000 -1.901 0.000) 1.901 4.102 ( 0.000 -2.723 0.000) 2.723 4.393 ( 0.000 1.376 0.000) 1.376 4.400 ( 0.000 -1.303 0.000) 1.303 4.669 ( 0.000 -0.155 0.000) 0.155 4.742 ( 0.000 -2.363 0.000) 2.363 5.366 ( 0.000 3.588 0.000) 3.588 5.379 ( 0.000 7.261 0.000) 7.261 5.393 ( 0.000 5.485 0.000) 5.485 5.482 ( 0.000 -0.982 0.000) 0.982 6.666 ( 0.000 0.662 0.000) 0.662 6.712 ( 0.000 1.443 0.000) 1.443 6.732 ( 0.000 0.110 0.000) 0.110 6.870 ( 0.000 -2.004 0.000) 2.004 7.096 ( 0.000 -0.134 0.000) 0.134 7.108 ( 0.000 -0.372 0.000) 0.372 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.568 ( 8.818 9.390 3.387) 13.320 0.694 ( 4.305 13.135 2.388) 14.027 0.874 ( -2.974 3.988 -7.297) 8.831 0.927 ( 0.100 4.558 -0.143) 4.562 1.053 ( 2.362 5.481 0.435) 5.984 1.082 ( -0.011 3.685 -0.840) 3.780 1.177 ( 0.601 2.094 -1.129) 2.454 1.211 ( 3.186 6.938 -0.638) 7.661 1.279 ( -1.633 -2.146 3.700) 4.579 1.349 ( 0.100 -1.421 -2.159) 2.586 1.385 ( -1.461 -1.234 -1.080) 2.196 1.405 ( -0.762 0.870 0.414) 1.229 1.443 ( -0.259 0.424 0.361) 0.614 1.528 ( -0.854 0.975 2.768) 3.056 1.602 ( -0.932 0.784 -1.431) 1.880 1.616 ( -1.147 -2.325 0.470) 2.635 1.689 ( -3.631 0.248 1.324) 3.873 1.742 ( 1.128 -1.306 -0.094) 1.728 1.780 ( 1.452 3.958 -1.344) 4.425 1.794 ( -1.114 0.138 -0.273) 1.155 1.863 ( 1.801 4.630 0.891) 5.047 1.936 ( 0.810 1.617 -0.544) 1.889 1.979 ( -1.716 6.325 -0.148) 6.556 2.032 ( 1.219 1.190 1.140) 2.050 2.193 ( -0.929 2.236 1.127) 2.671 2.251 ( -0.829 1.831 -0.108) 2.013 2.456 ( -1.037 -2.481 0.899) 2.835 2.515 ( 2.222 -5.609 0.820) 6.089 2.569 ( 1.049 -4.156 -1.712) 4.615 2.627 ( 2.854 -3.581 3.128) 5.545 2.698 ( -1.601 -0.490 -0.636) 1.791 2.833 ( 0.497 -3.437 0.213) 3.479 2.885 ( -1.491 -5.345 -0.415) 5.565 2.914 ( -1.889 -1.439 -0.698) 2.475 3.049 ( 0.842 1.850 -0.086) 2.034 3.091 ( 0.226 -1.534 -0.400) 1.601 3.166 ( -0.286 0.558 0.648) 0.902 3.229 ( -0.121 2.693 1.354) 3.017 3.314 ( -2.671 0.817 -1.013) 2.971 3.362 ( 0.142 0.551 -1.941) 2.022 3.473 ( -3.197 -0.079 -1.196) 3.415 3.501 ( -0.252 0.573 0.184) 0.652 3.847 ( 3.522 -0.907 4.591) 5.857 3.979 ( 1.071 0.889 -0.991) 1.709 4.032 ( 0.967 -1.898 -0.219) 2.142 4.052 ( -4.520 -2.276 -2.143) 5.496 4.378 ( -1.227 -0.005 0.710) 1.417 4.392 ( -1.324 -0.189 -0.072) 1.339 4.690 ( 1.991 -0.392 1.687) 2.639 4.758 ( 1.765 -2.048 -1.347) 3.020 5.355 ( -1.837 6.672 -0.085) 6.921 5.364 ( -0.345 4.004 0.719) 4.083 5.393 ( -0.441 5.896 -0.337) 5.922 5.465 ( -1.617 0.500 0.795) 1.870 6.667 ( 0.127 0.573 -0.095) 0.594 6.711 ( -0.134 1.415 0.300) 1.453 6.731 ( -0.107 0.101 -0.336) 0.367 6.858 ( -1.048 -1.350 -0.066) 1.711 7.101 ( 0.491 -0.175 -0.032) 0.523 7.111 ( 0.260 -0.369 0.047) 0.454 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.697 ( 5.249 10.663 1.071) 11.933 0.786 ( -1.124 8.952 -10.987) 14.217 0.830 ( 5.381 7.371 0.322) 9.131 0.970 ( 3.499 3.613 0.790) 5.091 1.059 ( -1.267 0.458 -1.586) 2.081 1.116 ( 3.349 0.195 -0.083) 3.356 1.177 ( -2.305 1.808 2.637) 3.941 1.266 ( 2.479 5.419 -1.585) 6.166 1.280 ( 0.998 2.460 2.177) 3.433 1.340 ( -3.216 1.126 -1.408) 3.687 1.389 ( 1.764 0.572 3.835) 4.260 1.416 ( 4.413 -2.180 0.565) 4.955 1.429 ( 0.009 2.781 -0.771) 2.886 1.512 ( -0.538 0.583 0.299) 0.848 1.556 ( -3.163 2.390 3.286) 5.149 1.611 ( -3.329 -1.894 0.387) 3.849 1.640 ( 1.770 -1.198 -1.339) 2.523 1.719 ( -2.886 -4.179 -0.246) 5.085 1.743 ( -2.510 -0.587 0.574) 2.641 1.815 ( 1.363 3.892 -1.586) 4.419 1.891 ( 0.588 0.457 0.214) 0.775 1.937 ( -3.013 4.495 0.610) 5.446 1.952 ( 1.118 3.853 0.770) 4.085 2.059 ( 0.792 3.112 -1.035) 3.374 2.175 ( -0.843 2.439 0.552) 2.638 2.235 ( -0.791 2.222 -0.478) 2.406 2.453 ( 0.623 -0.995 0.496) 1.275 2.571 ( 2.778 -3.500 0.264) 4.476 2.590 ( 0.909 -3.043 0.327) 3.193 2.660 ( -1.603 0.015 -0.209) 1.616 2.677 ( 1.685 -4.296 3.700) 5.915 2.823 ( -2.310 -5.296 -1.417) 5.949 2.853 ( -0.916 -4.298 0.014) 4.394 2.886 ( -0.936 -0.891 -0.306) 1.328 3.063 ( 0.913 1.959 -1.089) 2.420 3.099 ( 0.290 -1.140 -0.387) 1.238 3.162 ( 0.174 0.575 2.075) 2.160 3.221 ( -1.005 1.185 1.003) 1.849 3.252 ( -3.064 1.226 -2.778) 4.314 3.362 ( 0.180 1.488 -1.799) 2.342 3.401 ( -3.543 -0.062 -1.315) 3.779 3.523 ( 1.851 0.141 2.415) 3.046 3.908 ( -0.364 -2.615 1.384) 2.981 3.933 ( -2.574 0.300 0.150) 2.596 4.010 ( 0.386 -0.985 -2.089) 2.342 4.061 ( 1.875 -1.252 -0.097) 2.257 4.342 ( -2.494 -0.538 0.025) 2.551 4.361 ( -1.540 0.230 0.579) 1.662 4.730 ( 1.491 -0.991 -0.835) 1.975 4.807 ( 3.201 -1.405 1.504) 3.806 5.319 ( -1.603 6.567 -0.007) 6.760 5.352 ( -1.226 6.136 0.485) 6.276 5.381 ( -0.342 4.421 -0.290) 4.444 5.432 ( -1.790 2.808 0.897) 3.449 6.669 ( 0.082 0.450 -0.107) 0.470 6.709 ( -0.058 1.349 0.465) 1.428 6.727 ( -0.204 0.072 -0.515) 0.558 6.838 ( -0.807 -0.677 -0.018) 1.053 7.112 ( 0.608 -0.280 -0.028) 0.670 7.117 ( 0.321 -0.362 0.061) 0.488 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.742 ( 0.431 7.608 -3.878) 8.550 0.820 ( 4.744 7.457 -1.504) 8.965 0.895 ( -0.562 7.869 -0.257) 7.893 1.018 ( 3.153 4.351 -0.517) 5.398 1.080 ( 2.541 0.940 1.401) 3.050 1.130 ( -2.170 1.317 1.412) 2.905 1.162 ( 0.460 0.350 -2.656) 2.718 1.227 ( -3.390 -1.114 -0.478) 3.600 1.255 ( -3.557 4.167 -0.213) 5.483 1.326 ( 2.231 -0.498 0.297) 2.305 1.415 ( 1.087 2.171 -0.564) 2.492 1.439 ( -1.103 2.245 1.261) 2.801 1.504 ( -0.152 2.395 0.530) 2.458 1.525 ( 0.577 -2.190 1.635) 2.794 1.552 ( 2.303 -0.520 2.445) 3.399 1.573 ( 2.646 2.160 1.336) 3.668 1.662 ( -2.505 -4.317 -0.655) 5.034 1.687 ( 2.995 0.568 -2.653) 4.041 1.714 ( -0.436 0.365 2.614) 2.675 1.825 ( 0.001 2.144 -0.433) 2.187 1.856 ( -4.680 2.894 -0.660) 5.542 1.886 ( -0.880 -1.629 0.737) 1.993 1.982 ( 1.456 5.029 1.001) 5.330 2.055 ( -0.620 2.986 -2.011) 3.653 2.168 ( 0.107 3.802 0.298) 3.815 2.216 ( -0.960 2.116 -0.789) 2.454 2.478 ( 1.632 0.092 0.445) 1.694 2.559 ( -2.328 0.510 -0.987) 2.580 2.624 ( 1.743 -1.641 -0.930) 2.568 2.654 ( 0.021 -2.457 1.437) 2.847 2.711 ( 1.079 -4.846 2.890) 5.744 2.768 ( -1.950 -5.605 -1.055) 6.028 2.851 ( 0.495 -3.680 0.138) 3.716 2.869 ( -0.961 -2.263 -0.686) 2.552 3.066 ( -0.471 0.847 -0.467) 1.075 3.110 ( 0.980 1.829 -0.167) 2.082 3.184 ( 0.741 0.120 0.972) 1.229 3.198 ( -1.124 0.308 -0.235) 1.189 3.207 ( -0.680 1.045 -0.406) 1.311 3.330 ( -2.074 -0.244 -1.564) 2.609 3.380 ( 0.462 2.023 0.227) 2.087 3.555 ( 0.839 -0.540 1.159) 1.529 3.841 ( -2.183 -0.916 -1.233) 2.669 3.960 ( 1.331 -0.402 2.534) 2.890 4.002 ( -0.754 -2.257 -2.077) 3.159 4.096 ( 1.305 -0.406 0.076) 1.369 4.302 ( -1.289 -0.877 0.026) 1.559 4.337 ( -0.861 0.646 0.246) 1.104 4.745 ( 0.372 -0.542 -0.912) 1.124 4.862 ( 1.657 -1.623 1.236) 2.628 5.300 ( -0.306 6.314 -0.089) 6.322 5.325 ( -1.155 7.602 0.068) 7.689 5.382 ( 0.357 3.392 -0.098) 3.412 5.404 ( -1.054 4.269 0.485) 4.424 6.670 ( 0.003 0.438 -0.044) 0.440 6.710 ( 0.037 1.278 0.314) 1.317 6.722 ( -0.124 0.029 -0.336) 0.359 6.828 ( -0.247 -0.557 0.004) 0.609 7.121 ( 0.267 -0.364 -0.004) 0.451 7.122 ( 0.144 -0.363 0.024) 0.391 ======================= Grid point 21 (13/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 9.199 0.000) 9.199 0.880 ( 0.000 10.050 0.000) 10.050 0.908 ( 0.000 -4.407 0.000) 4.407 1.021 ( 0.000 5.397 0.000) 5.397 1.053 ( 0.000 0.644 0.000) 0.644 1.152 ( 0.000 -1.513 0.000) 1.513 1.180 ( 0.000 2.053 0.000) 2.053 1.268 ( 0.000 1.643 0.000) 1.643 1.278 ( 0.000 -5.041 0.000) 5.041 1.357 ( 0.000 -1.657 0.000) 1.657 1.358 ( 0.000 -0.446 0.000) 0.446 1.420 ( 0.000 6.950 0.000) 6.950 1.487 ( 0.000 2.961 0.000) 2.961 1.580 ( 0.000 -0.541 0.000) 0.541 1.616 ( 0.000 1.619 0.000) 1.619 1.618 ( 0.000 -1.572 0.000) 1.572 1.718 ( 0.000 2.079 0.000) 2.079 1.742 ( 0.000 -1.908 0.000) 1.908 1.792 ( 0.000 1.904 0.000) 1.904 1.846 ( 0.000 3.158 0.000) 3.158 1.944 ( 0.000 4.794 0.000) 4.794 1.972 ( 0.000 3.543 0.000) 3.543 1.994 ( 0.000 0.570 0.000) 0.570 2.153 ( 0.000 1.986 0.000) 1.986 2.237 ( 0.000 2.073 0.000) 2.073 2.256 ( 0.000 -1.128 0.000) 1.128 2.373 ( 0.000 -5.178 0.000) 5.178 2.396 ( 0.000 -4.271 0.000) 4.271 2.530 ( 0.000 2.003 0.000) 2.003 2.585 ( 0.000 3.228 0.000) 3.228 2.689 ( 0.000 -0.898 0.000) 0.898 2.763 ( 0.000 -3.123 0.000) 3.123 2.801 ( 0.000 -4.827 0.000) 4.827 2.856 ( 0.000 -6.842 0.000) 6.842 3.085 ( 0.000 3.662 0.000) 3.662 3.131 ( 0.000 3.177 0.000) 3.177 3.203 ( 0.000 2.976 0.000) 2.976 3.270 ( 0.000 0.930 0.000) 0.930 3.363 ( 0.000 0.181 0.000) 0.181 3.367 ( 0.000 1.572 0.000) 1.572 3.469 ( 0.000 -3.449 0.000) 3.449 3.483 ( 0.000 -2.820 0.000) 2.820 3.812 ( 0.000 1.610 0.000) 1.610 3.964 ( 0.000 -4.193 0.000) 4.193 4.006 ( 0.000 2.545 0.000) 2.545 4.070 ( 0.000 -1.002 0.000) 1.002 4.381 ( 0.000 -0.569 0.000) 0.569 4.403 ( 0.000 -0.463 0.000) 0.463 4.666 ( 0.000 -0.021 0.000) 0.021 4.698 ( 0.000 -2.007 0.000) 2.007 5.404 ( 0.000 0.970 0.000) 0.970 5.433 ( 0.000 -0.695 0.000) 0.695 5.494 ( 0.000 4.491 0.000) 4.491 5.515 ( 0.000 3.518 0.000) 3.518 6.689 ( 0.000 1.662 0.000) 1.662 6.731 ( 0.000 -0.264 0.000) 0.264 6.747 ( 0.000 2.108 0.000) 2.108 6.831 ( 0.000 -2.169 0.000) 2.169 7.094 ( 0.000 -0.010 0.000) 0.010 7.101 ( 0.000 -0.345 0.000) 0.345 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 8.620 8.244 3.323) 12.382 0.894 ( 1.514 7.261 2.976) 7.992 0.934 ( 2.278 2.156 -4.797) 5.731 1.017 ( -0.134 2.768 2.645) 3.831 1.084 ( 2.650 2.263 -0.863) 3.590 1.127 ( -2.922 2.285 -4.240) 5.633 1.183 ( 1.467 -1.038 -3.504) 3.938 1.217 ( -0.747 -3.544 0.728) 3.695 1.292 ( -0.494 -2.246 0.499) 2.353 1.357 ( 1.970 -0.674 0.659) 2.184 1.379 ( -1.117 2.222 0.331) 2.509 1.432 ( -1.545 1.487 0.451) 2.191 1.480 ( 0.461 3.989 4.204) 5.813 1.556 ( -0.851 -0.315 -1.445) 1.706 1.606 ( -1.282 -0.286 1.160) 1.753 1.608 ( -0.521 1.562 -0.261) 1.667 1.690 ( -4.285 -1.587 0.186) 4.574 1.726 ( 0.312 2.814 0.100) 2.833 1.766 ( -2.740 -0.216 -2.165) 3.498 1.859 ( 0.920 2.484 -0.688) 2.737 1.939 ( -0.972 3.025 -0.109) 3.180 1.979 ( 0.273 2.118 -0.720) 2.254 2.013 ( 2.033 1.936 0.575) 2.866 2.147 ( -0.335 2.715 1.429) 3.087 2.214 ( -1.748 1.511 2.996) 3.784 2.269 ( 0.437 0.048 -2.136) 2.181 2.404 ( 2.958 -4.333 1.585) 5.481 2.422 ( 2.580 -2.363 0.344) 3.515 2.525 ( 0.428 1.151 -1.813) 2.190 2.602 ( 0.971 1.153 2.358) 2.798 2.683 ( -0.710 -0.805 -0.899) 1.400 2.773 ( -0.118 -2.697 1.015) 2.884 2.787 ( -0.548 -4.714 -0.717) 4.800 2.857 ( 0.013 -4.879 0.371) 4.893 3.080 ( -0.177 2.561 -0.951) 2.738 3.126 ( -0.460 2.753 -0.763) 2.894 3.196 ( -0.548 2.819 0.878) 3.003 3.266 ( -0.502 1.278 0.122) 1.378 3.333 ( -2.287 0.881 -0.512) 2.504 3.375 ( 0.162 0.493 -0.531) 0.743 3.451 ( -2.221 -2.207 -0.272) 3.143 3.474 ( 0.118 -2.660 -0.524) 2.714 3.839 ( 2.165 0.764 2.926) 3.719 3.973 ( 0.433 -4.138 0.398) 4.180 4.002 ( -0.348 1.292 -1.617) 2.099 4.029 ( -3.061 -0.542 -2.213) 3.815 4.375 ( -0.579 0.027 0.812) 0.997 4.393 ( -1.340 -0.131 -0.209) 1.362 4.685 ( 1.742 -0.088 0.641) 1.858 4.718 ( 2.164 -2.001 -0.894) 3.080 5.405 ( 0.009 1.031 0.515) 1.153 5.428 ( -0.569 0.333 0.753) 1.001 5.486 ( -0.862 3.911 0.001) 4.005 5.505 ( -1.037 3.528 -0.511) 3.713 6.689 ( 0.013 1.605 0.000) 1.605 6.729 ( -0.207 -0.204 0.103) 0.308 6.746 ( -0.077 2.048 -0.166) 2.056 6.826 ( -0.397 -1.919 0.022) 1.960 7.098 ( 0.410 -0.052 -0.013) 0.413 7.104 ( 0.284 -0.325 0.018) 0.432 ======================= Grid point 23 (15/75) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.818 8.325 -0.226) 9.621 0.905 ( -0.484 5.327 -8.279) 9.856 0.992 ( 3.337 7.015 1.047) 7.839 1.039 ( 2.726 -0.336 1.668) 3.213 1.084 ( 0.020 4.866 -2.670) 5.550 1.136 ( 2.591 1.747 -0.942) 3.264 1.192 ( 0.335 0.419 -1.931) 2.004 1.254 ( 1.127 -3.864 0.900) 4.124 1.299 ( 0.776 -1.596 0.389) 1.817 1.365 ( 0.383 -0.454 0.306) 0.668 1.367 ( -3.409 1.266 0.352) 3.653 1.386 ( 1.614 -0.624 3.846) 4.217 1.492 ( -0.414 -0.815 4.152) 4.252 1.541 ( -1.695 1.587 1.690) 2.872 1.576 ( -1.268 4.066 -1.847) 4.642 1.604 ( -3.265 -5.652 1.017) 6.606 1.614 ( -0.165 -0.152 0.032) 0.227 1.703 ( -2.347 -0.185 -0.409) 2.389 1.746 ( 2.025 5.913 0.308) 6.257 1.865 ( -0.315 1.684 -0.982) 1.975 1.907 ( -2.073 1.362 -0.808) 2.608 1.967 ( -1.425 0.092 -0.851) 1.662 2.050 ( 1.213 3.915 2.061) 4.588 2.151 ( 0.336 4.040 -1.222) 4.234 2.190 ( -0.966 0.135 2.103) 2.318 2.260 ( -0.860 0.033 -2.400) 2.550 2.459 ( 2.373 0.743 1.196) 2.759 2.499 ( 4.578 -2.635 0.904) 5.359 2.549 ( 1.865 -0.505 -0.192) 1.942 2.623 ( 0.686 -0.952 3.008) 3.229 2.657 ( -1.472 -0.693 -0.499) 1.702 2.731 ( -2.957 -4.404 -1.720) 5.577 2.792 ( -0.343 -1.915 0.093) 1.948 2.851 ( -0.846 -2.957 -0.476) 3.113 3.083 ( 0.577 1.566 -0.071) 1.671 3.122 ( 0.646 1.650 -0.658) 1.890 3.191 ( -0.133 2.780 1.689) 3.255 3.248 ( -1.295 1.491 -0.114) 1.979 3.283 ( -2.421 1.674 -1.283) 3.211 3.363 ( -1.951 -1.640 -1.712) 3.070 3.407 ( -1.062 0.854 -0.653) 1.511 3.490 ( 1.098 -3.165 1.577) 3.702 3.870 ( -0.768 -0.823 0.647) 1.298 3.936 ( -2.052 -0.956 -0.212) 2.274 3.983 ( -0.242 -0.817 -1.593) 1.806 4.037 ( 2.409 -1.356 0.834) 2.888 4.347 ( -2.557 0.672 -0.938) 2.805 4.363 ( -1.284 -0.018 0.413) 1.349 4.723 ( 1.893 0.204 -0.849) 2.085 4.773 ( 3.207 -2.036 0.878) 3.899 5.405 ( -0.200 1.732 0.467) 1.805 5.420 ( -0.196 2.017 0.831) 2.190 5.465 ( -1.150 2.770 0.336) 3.018 5.477 ( -1.627 3.394 -0.777) 3.843 6.689 ( 0.008 1.496 -0.001) 1.496 6.725 ( -0.227 -0.150 0.091) 0.287 6.744 ( -0.106 1.996 -0.173) 2.006 6.818 ( -0.414 -1.485 0.034) 1.542 7.108 ( 0.501 -0.149 -0.010) 0.523 7.111 ( 0.348 -0.281 0.025) 0.447 ======================= Grid point 24 (16/75) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.108 6.847 -4.437) 8.160 0.935 ( 1.549 4.769 -1.040) 5.121 1.028 ( 0.895 4.895 -0.485) 5.000 1.096 ( 3.234 2.316 0.252) 3.985 1.121 ( 1.671 4.503 1.500) 5.031 1.167 ( 0.629 0.196 -1.730) 1.851 1.183 ( -0.875 3.958 -0.583) 4.095 1.210 ( -3.109 -0.367 -2.401) 3.945 1.297 ( -3.352 0.826 0.113) 3.454 1.314 ( 1.095 -1.051 0.661) 1.656 1.428 ( 3.062 -2.474 0.030) 3.937 1.437 ( 2.331 -2.810 3.118) 4.801 1.485 ( -0.658 -4.047 4.652) 6.201 1.503 ( -1.298 2.635 0.016) 2.938 1.542 ( -1.994 -2.433 2.516) 4.028 1.565 ( -1.254 1.523 -3.223) 3.779 1.625 ( 1.496 0.525 -0.938) 1.842 1.679 ( -0.801 -1.783 0.829) 2.123 1.815 ( 4.405 6.641 1.457) 8.102 1.850 ( -0.677 1.272 -0.207) 1.456 1.868 ( -1.396 0.424 -0.848) 1.687 1.919 ( -3.365 1.636 -0.265) 3.751 2.079 ( 1.861 4.722 2.856) 5.824 2.129 ( -2.166 4.335 -4.162) 6.388 2.199 ( 1.242 -0.896 2.853) 3.238 2.233 ( -1.475 -0.293 -2.702) 3.092 2.503 ( 1.791 2.061 0.487) 2.774 2.567 ( 0.633 -0.099 -0.040) 0.642 2.578 ( 2.405 -1.479 -0.317) 2.841 2.617 ( -1.254 -1.609 1.311) 2.425 2.656 ( 0.534 -1.151 1.258) 1.786 2.675 ( -1.947 -3.659 -1.073) 4.281 2.784 ( 0.343 -2.969 -0.087) 2.990 2.818 ( -2.105 -3.146 -1.114) 3.946 3.096 ( 0.553 2.512 0.382) 2.600 3.145 ( 1.113 1.422 -0.228) 1.820 3.198 ( 0.508 1.519 1.543) 2.224 3.222 ( -1.148 2.006 -0.428) 2.350 3.251 ( -0.514 2.776 -0.281) 2.837 3.311 ( -2.085 -1.434 -1.571) 2.978 3.407 ( 0.342 0.823 0.071) 0.894 3.508 ( 0.405 -4.043 0.755) 4.133 3.828 ( -1.640 -0.114 -1.025) 1.938 3.924 ( -0.355 -4.074 0.282) 4.099 3.985 ( 0.386 1.709 -0.062) 1.753 4.083 ( 1.567 -1.402 0.856) 2.270 4.303 ( -1.356 0.862 -0.578) 1.708 4.340 ( -0.878 -0.342 -0.104) 0.948 4.749 ( 0.805 0.953 -0.557) 1.367 4.823 ( 1.494 -2.376 0.640) 2.878 5.401 ( -0.105 3.539 0.047) 3.541 5.425 ( 0.538 2.414 0.739) 2.581 5.445 ( -1.215 3.772 -0.487) 3.993 5.449 ( -0.685 1.037 0.047) 1.244 6.689 ( -0.002 1.434 -0.001) 1.434 6.721 ( -0.093 -0.141 0.030) 0.171 6.742 ( -0.043 1.976 -0.067) 1.977 6.812 ( -0.161 -1.240 0.016) 1.250 7.115 ( 0.221 -0.228 0.002) 0.318 7.116 ( 0.152 -0.248 0.008) 0.291 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 -7.781 0.000) 7.781 0.787 ( 0.000 7.781 0.000) 7.781 1.031 ( 0.000 -4.788 0.000) 4.788 1.031 ( 0.000 4.788 0.000) 4.788 1.099 ( 0.000 -3.736 0.000) 3.736 1.099 ( 0.000 3.736 0.000) 3.736 1.197 ( 0.000 -1.625 0.000) 1.625 1.197 ( 0.000 1.625 0.000) 1.625 1.322 ( 0.000 -1.723 0.000) 1.723 1.322 ( 0.000 1.723 0.000) 1.723 1.416 ( 0.000 -6.680 0.000) 6.680 1.416 ( 0.000 6.680 0.000) 6.680 1.538 ( 0.000 -3.340 0.000) 3.340 1.538 ( 0.000 3.340 0.000) 3.340 1.616 ( 0.000 -2.152 0.000) 2.152 1.616 ( 0.000 2.152 0.000) 2.152 1.744 ( 0.000 -1.590 0.000) 1.590 1.744 ( 0.000 1.590 0.000) 1.590 1.848 ( 0.000 -3.232 0.000) 3.232 1.848 ( 0.000 3.232 0.000) 3.232 1.997 ( 0.000 -0.547 0.000) 0.547 1.997 ( 0.000 0.547 0.000) 0.547 2.083 ( 0.000 -6.636 0.000) 6.636 2.083 ( 0.000 6.636 0.000) 6.636 2.245 ( 0.000 -0.142 0.000) 0.142 2.245 ( 0.000 0.142 0.000) 0.142 2.335 ( 0.000 -1.229 0.000) 1.229 2.335 ( 0.000 1.229 0.000) 1.229 2.634 ( 0.000 -2.039 0.000) 2.039 2.634 ( 0.000 2.039 0.000) 2.039 2.701 ( 0.000 -4.358 0.000) 4.358 2.701 ( 0.000 4.358 0.000) 4.358 2.741 ( 0.000 -0.346 0.000) 0.346 2.741 ( 0.000 0.346 0.000) 0.346 3.147 ( 0.000 -2.028 0.000) 2.028 3.147 ( 0.000 2.028 0.000) 2.028 3.260 ( 0.000 -2.113 0.000) 2.113 3.260 ( 0.000 2.113 0.000) 2.113 3.378 ( 0.000 -1.033 0.000) 1.033 3.378 ( 0.000 1.033 0.000) 1.033 3.431 ( 0.000 -0.618 0.000) 0.618 3.431 ( 0.000 0.618 0.000) 0.618 3.875 ( 0.000 -4.705 0.000) 4.705 3.875 ( 0.000 4.705 0.000) 4.705 4.048 ( 0.000 -1.652 0.000) 1.652 4.048 ( 0.000 1.652 0.000) 1.652 4.385 ( 0.000 -0.919 0.000) 0.919 4.385 ( 0.000 0.919 0.000) 0.919 4.672 ( 0.000 -0.748 0.000) 0.748 4.672 ( 0.000 0.748 0.000) 0.748 5.418 ( 0.000 -0.712 0.000) 0.712 5.418 ( 0.000 0.712 0.000) 0.712 5.545 ( 0.000 -0.626 0.000) 0.626 5.545 ( 0.000 0.626 0.000) 0.626 6.718 ( 0.000 -1.204 0.000) 1.204 6.718 ( 0.000 1.204 0.000) 1.204 6.788 ( 0.000 -2.289 0.000) 2.289 6.788 ( 0.000 2.289 0.000) 2.289 7.096 ( 0.000 -0.187 0.000) 0.187 7.096 ( 0.000 0.187 0.000) 0.187 ======================= Grid point 30 (18/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 7.306 -5.876 2.589) 9.727 0.870 ( 7.306 5.876 2.589) 9.727 1.019 ( -1.021 -3.337 0.406) 3.513 1.019 ( -1.021 3.337 0.406) 3.513 1.131 ( 2.707 -3.383 -0.835) 4.412 1.131 ( 2.707 3.383 -0.835) 4.412 1.166 ( -1.743 -1.892 -4.531) 5.210 1.166 ( -1.743 1.892 -4.531) 5.210 1.321 ( 0.017 -2.956 0.399) 2.983 1.321 ( 0.017 2.956 0.399) 2.983 1.419 ( -0.926 -3.301 3.369) 4.806 1.419 ( -0.926 3.301 3.369) 4.806 1.525 ( -0.997 -0.920 0.189) 1.370 1.525 ( -0.997 0.920 0.189) 1.370 1.606 ( -1.017 -1.464 -0.064) 1.784 1.606 ( -1.017 1.464 -0.064) 1.784 1.712 ( -2.881 -2.719 -1.667) 4.298 1.712 ( -2.881 2.719 -1.667) 4.298 1.849 ( 0.391 -4.280 0.146) 4.301 1.849 ( 0.391 4.280 0.146) 4.301 1.980 ( -1.599 -1.374 -0.676) 2.214 1.980 ( -1.599 1.374 -0.676) 2.214 2.094 ( 0.990 -5.500 1.885) 5.897 2.094 ( 0.990 5.500 1.885) 5.897 2.249 ( -0.024 -1.633 -0.401) 1.681 2.249 ( -0.024 1.633 -0.401) 1.681 2.376 ( 3.921 -1.519 0.884) 4.297 2.376 ( 3.921 1.519 0.884) 4.297 2.614 ( -1.082 -3.141 -0.572) 3.371 2.614 ( -1.082 3.141 -0.572) 3.371 2.688 ( -1.265 -3.302 -1.013) 3.678 2.688 ( -1.265 3.302 -1.013) 3.678 2.773 ( 2.121 -2.531 1.943) 3.831 2.773 ( 2.121 2.531 1.943) 3.831 3.133 ( -1.072 -2.042 -1.230) 2.614 3.133 ( -1.072 2.042 -1.230) 2.614 3.259 ( -0.250 -2.585 0.686) 2.686 3.259 ( -0.250 2.585 0.686) 2.686 3.359 ( -1.782 -1.973 -0.716) 2.754 3.359 ( -1.782 1.973 -0.716) 2.754 3.431 ( 0.020 -1.017 0.035) 1.018 3.431 ( 0.020 1.017 0.035) 1.018 3.889 ( 1.060 -4.229 1.516) 4.616 3.889 ( 1.060 4.229 1.516) 4.616 4.020 ( -2.078 -0.628 -2.155) 3.059 4.020 ( -2.078 0.628 -2.155) 3.059 4.383 ( -0.560 -0.697 0.584) 1.068 4.383 ( -0.560 0.697 0.584) 1.068 4.691 ( 1.949 -0.789 -0.321) 2.127 4.691 ( 1.949 0.789 -0.321) 2.127 5.419 ( 0.094 -0.671 0.522) 0.855 5.419 ( 0.094 0.671 0.522) 0.855 5.533 ( -1.106 -0.660 -0.200) 1.303 5.533 ( -1.106 0.660 -0.200) 1.303 6.717 ( -0.105 -1.137 -0.013) 1.141 6.717 ( -0.105 1.137 -0.013) 1.141 6.787 ( -0.150 -2.231 0.003) 2.236 6.787 ( -0.150 2.231 0.003) 2.236 7.099 ( 0.337 -0.152 0.001) 0.369 7.099 ( 0.337 0.152 0.001) 0.369 ======================= Grid point 32 (19/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.561 -2.274 -3.756) 4.427 0.985 ( -0.561 2.274 -3.756) 4.427 1.020 ( 5.374 -3.457 -0.226) 6.394 1.020 ( 5.374 3.457 -0.226) 6.394 1.152 ( 1.232 -1.755 -0.933) 2.339 1.152 ( 1.232 1.755 -0.933) 2.339 1.195 ( 3.373 -2.845 -1.287) 4.597 1.195 ( 3.373 2.845 -1.287) 4.597 1.320 ( -0.642 -3.878 0.330) 3.944 1.320 ( -0.642 3.878 0.330) 3.944 1.388 ( -1.894 -0.678 4.011) 4.487 1.388 ( -1.894 0.678 4.011) 4.487 1.497 ( -2.177 -3.592 2.129) 4.709 1.497 ( -2.177 3.592 2.129) 4.709 1.591 ( -0.358 -2.471 1.467) 2.896 1.591 ( -0.358 2.471 1.467) 2.896 1.652 ( -2.333 -3.525 -2.266) 4.796 1.652 ( -2.333 3.525 -2.266) 4.796 1.864 ( 0.960 -3.163 -0.351) 3.324 1.864 ( 0.960 3.163 -0.351) 3.324 1.939 ( -2.288 -2.329 -0.400) 3.289 1.939 ( -2.288 2.329 -0.400) 3.289 2.122 ( 1.409 -3.963 2.769) 5.035 2.122 ( 1.409 3.963 2.769) 5.035 2.234 ( -1.296 -2.294 -2.479) 3.617 2.234 ( -1.296 2.294 -2.479) 3.617 2.464 ( 4.421 -1.324 1.022) 4.727 2.464 ( 4.421 1.324 1.022) 4.727 2.610 ( 0.607 -3.318 0.770) 3.460 2.610 ( 0.607 3.318 0.770) 3.460 2.652 ( -2.067 -2.319 -0.973) 3.255 2.652 ( -2.067 2.319 -0.973) 3.255 2.795 ( -0.411 -2.127 0.078) 2.168 2.795 ( -0.411 2.127 0.078) 2.168 3.121 ( 0.383 -1.596 -0.140) 1.647 3.121 ( 0.383 1.596 -0.140) 1.647 3.250 ( -0.803 -2.123 0.388) 2.303 3.250 ( -0.803 2.123 0.388) 2.303 3.318 ( -1.964 -2.364 -0.920) 3.208 3.318 ( -1.964 2.364 -0.920) 3.208 3.432 ( 0.069 -2.286 0.152) 2.292 3.432 ( 0.069 2.286 0.152) 2.292 3.889 ( -1.688 -2.595 -0.386) 3.120 3.889 ( -1.688 2.595 -0.386) 3.120 4.004 ( 1.187 -2.040 0.325) 2.382 4.004 ( 1.187 2.040 0.325) 2.382 4.359 ( -1.851 -0.488 -0.350) 1.946 4.359 ( -1.851 0.488 -0.350) 1.946 4.738 ( 2.690 -1.458 -0.085) 3.061 4.738 ( 2.690 1.458 -0.085) 3.061 5.424 ( 0.348 -0.661 0.596) 0.955 5.424 ( 0.348 0.661 0.596) 0.955 5.505 ( -1.672 -0.640 -0.222) 1.803 5.505 ( -1.672 0.640 -0.222) 1.803 6.715 ( -0.122 -0.992 -0.016) 0.999 6.715 ( -0.122 0.992 -0.016) 0.999 6.783 ( -0.176 -2.112 0.002) 2.120 6.783 ( -0.176 2.112 0.002) 2.120 7.107 ( 0.411 -0.074 0.006) 0.417 7.107 ( 0.411 0.074 0.006) 0.417 ======================= Grid point 34 (20/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.244 -1.616 -2.041) 2.615 0.971 ( 0.244 1.616 -2.041) 2.615 1.089 ( 1.514 -2.145 -2.036) 3.323 1.089 ( 1.514 2.146 -2.036) 3.323 1.172 ( 0.394 -0.711 -0.058) 0.815 1.172 ( 0.394 0.711 -0.058) 0.815 1.239 ( 1.526 -3.698 -2.741) 4.850 1.239 ( 1.526 3.698 -2.741) 4.850 1.291 ( -1.663 -2.712 2.412) 3.992 1.291 ( -1.663 2.712 2.412) 3.992 1.386 ( 0.262 -2.271 2.066) 3.081 1.386 ( 0.262 2.271 2.066) 3.081 1.469 ( -0.678 -2.020 2.278) 3.120 1.469 ( -0.678 2.020 2.278) 3.120 1.590 ( -0.066 -2.458 0.118) 2.461 1.590 ( -0.066 2.458 0.118) 2.461 1.628 ( -0.188 -2.137 -0.324) 2.170 1.628 ( -0.188 2.137 -0.324) 2.170 1.871 ( -0.289 -0.459 -0.950) 1.095 1.871 ( -0.289 0.459 -0.950) 1.095 1.911 ( -0.413 -2.592 0.722) 2.722 1.911 ( -0.413 2.592 0.722) 2.722 2.156 ( 1.640 -3.395 3.194) 4.941 2.156 ( 1.640 3.395 3.194) 4.941 2.197 ( -1.915 -2.938 -3.509) 4.961 2.197 ( -1.915 2.938 -3.509) 4.961 2.533 ( 2.407 -1.694 0.539) 2.992 2.533 ( 2.407 1.694 0.539) 2.992 2.605 ( -1.364 -1.828 -0.421) 2.319 2.605 ( -1.364 1.828 -0.421) 2.319 2.639 ( 0.747 -1.272 0.531) 1.568 2.639 ( 0.747 1.272 0.531) 1.568 2.767 ( -1.611 -1.528 -0.745) 2.342 2.767 ( -1.611 1.528 -0.745) 2.342 3.143 ( 1.182 -1.750 0.566) 2.186 3.143 ( 1.182 1.750 0.566) 2.186 3.233 ( -0.760 -1.483 -0.048) 1.667 3.233 ( -0.760 1.483 -0.048) 1.667 3.290 ( -0.694 -1.093 -0.315) 1.333 3.290 ( -0.694 1.093 -0.315) 1.333 3.433 ( 0.010 -2.929 0.043) 2.929 3.433 ( 0.010 2.929 0.043) 2.929 3.852 ( -1.284 -2.839 -0.729) 3.200 3.852 ( -1.284 2.839 -0.729) 3.200 4.037 ( 1.262 -3.166 0.940) 3.535 4.037 ( 1.262 3.166 0.940) 3.535 4.325 ( -1.156 -1.189 -0.498) 1.732 4.325 ( -1.156 1.189 -0.498) 1.732 4.779 ( 1.225 -2.169 0.017) 2.491 4.779 ( 1.225 2.169 0.017) 2.491 5.434 ( 0.547 -0.846 0.286) 1.047 5.434 ( 0.547 0.846 0.286) 1.047 5.475 ( -1.165 -0.593 -0.130) 1.314 5.475 ( -1.165 0.593 -0.130) 1.314 6.713 ( -0.051 -0.883 -0.007) 0.885 6.713 ( -0.051 0.883 -0.007) 0.885 6.781 ( -0.074 -2.027 0.001) 2.029 6.781 ( -0.074 2.027 0.001) 2.029 7.113 ( 0.180 -0.013 0.004) 0.180 7.113 ( 0.180 0.013 0.004) 0.180 ======================= Grid point 63 (21/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 10.069 0.000 14.342) 17.524 0.334 ( -1.152 0.000 16.850) 16.889 0.348 ( -3.076 0.000 18.381) 18.636 0.781 ( -4.004 0.000 -10.686) 11.411 0.874 ( 1.934 0.000 -9.994) 10.179 1.002 ( -0.034 0.000 -8.402) 8.402 1.159 ( -0.593 0.000 1.479) 1.594 1.208 ( -0.272 0.000 1.470) 1.495 1.274 ( -1.080 0.000 1.069) 1.520 1.327 ( -1.914 0.000 -2.183) 2.903 1.352 ( -0.043 0.000 -5.016) 5.016 1.372 ( -0.189 0.000 -3.204) 3.209 1.426 ( 2.836 0.000 2.286) 3.642 1.529 ( -1.885 0.000 0.530) 1.958 1.543 ( -1.866 0.000 2.668) 3.255 1.634 ( 2.183 0.000 -0.684) 2.288 1.673 ( 0.652 0.000 -2.319) 2.409 1.687 ( 0.460 0.000 -1.256) 1.337 1.751 ( 6.191 0.000 6.785) 9.185 1.760 ( 1.237 0.000 2.831) 3.090 1.898 ( -2.041 0.000 2.352) 3.114 1.906 ( -2.185 0.000 1.268) 2.526 1.988 ( -2.367 0.000 2.284) 3.289 2.058 ( 0.911 0.000 -1.897) 2.104 2.070 ( 0.034 0.000 -0.444) 0.445 2.144 ( 2.329 0.000 -2.243) 3.234 2.551 ( -0.249 0.000 1.752) 1.769 2.659 ( -1.814 0.000 -3.730) 4.148 2.682 ( -1.674 0.000 1.026) 1.963 2.719 ( 2.776 0.000 0.369) 2.800 2.830 ( -0.468 0.000 1.472) 1.544 2.856 ( 0.113 0.000 -0.977) 0.984 2.975 ( 0.425 0.000 1.261) 1.330 3.025 ( 0.202 0.000 1.977) 1.988 3.060 ( 0.511 0.000 1.697) 1.772 3.134 ( 0.973 0.000 -2.691) 2.862 3.137 ( -0.666 0.000 -1.263) 1.428 3.246 ( 1.563 0.000 0.570) 1.664 3.265 ( 0.072 0.000 -0.439) 0.445 3.347 ( 1.585 0.000 1.988) 2.542 3.392 ( -1.104 0.000 -2.354) 2.600 3.431 ( -2.640 0.000 -1.063) 2.846 3.940 ( 1.340 0.000 -0.884) 1.606 3.977 ( -0.465 0.000 -1.440) 1.513 4.054 ( 5.457 0.000 3.656) 6.569 4.189 ( -1.377 0.000 -3.127) 3.416 4.505 ( -2.917 0.000 5.112) 5.886 4.657 ( 2.053 0.000 -1.044) 2.303 4.781 ( -2.780 0.000 -0.771) 2.885 4.781 ( 30.104 0.000 -1.416) 30.137 5.156 ( 0.660 0.000 0.671) 0.941 5.158 ( -0.568 0.000 0.518) 0.769 5.245 ( -0.288 0.000 -0.407) 0.499 5.253 ( -1.131 0.000 -0.640) 1.299 6.696 ( 0.281 0.000 0.190) 0.339 6.715 ( -1.063 0.000 -0.783) 1.320 6.778 ( -1.943 0.000 1.347) 2.364 6.823 ( 0.076 0.000 -0.744) 0.748 7.102 ( -0.088 0.000 0.237) 0.253 7.114 ( 0.106 0.000 -0.245) 0.267 ======================= Grid point 64 (22/75) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 0.181 0.000 14.120) 14.121 0.396 ( 4.002 0.000 12.612) 13.231 0.583 ( -10.233 0.000 -13.613) 17.030 0.692 ( 17.669 0.000 13.005) 21.939 0.918 ( 4.544 0.000 -9.356) 10.401 1.012 ( 0.939 0.000 -4.982) 5.069 1.180 ( 3.599 0.000 -3.048) 4.716 1.234 ( -2.613 0.000 -0.851) 2.748 1.236 ( 2.258 0.000 4.925) 5.418 1.316 ( -1.445 0.000 -2.009) 2.475 1.325 ( 0.135 0.000 1.027) 1.036 1.402 ( 1.964 0.000 -2.461) 3.149 1.417 ( -3.688 0.000 2.964) 4.732 1.452 ( -4.355 0.000 -4.327) 6.138 1.584 ( 5.242 0.000 2.273) 5.714 1.599 ( -4.490 0.000 1.715) 4.806 1.686 ( -0.687 0.000 -3.198) 3.271 1.695 ( 0.854 0.000 -2.339) 2.490 1.798 ( 1.672 0.000 -2.222) 2.781 1.835 ( -1.514 0.000 -0.643) 1.645 1.852 ( -3.196 0.000 3.882) 5.028 1.876 ( 2.346 0.000 4.869) 5.405 1.955 ( -1.407 0.000 1.310) 1.922 2.074 ( 0.624 0.000 -0.545) 0.828 2.081 ( 0.681 0.000 -0.270) 0.732 2.179 ( 1.015 0.000 -1.156) 1.539 2.532 ( -1.513 0.000 1.670) 2.254 2.604 ( -3.106 0.000 -2.711) 4.122 2.650 ( -1.707 0.000 -0.721) 1.853 2.755 ( 0.662 0.000 4.310) 4.360 2.844 ( 2.305 0.000 -2.148) 3.150 2.878 ( 1.654 0.000 0.449) 1.714 2.994 ( 0.640 0.000 3.715) 3.769 3.005 ( -2.611 0.000 -0.102) 2.613 3.045 ( -1.046 0.000 -0.130) 1.054 3.110 ( -2.042 0.000 -3.091) 3.705 3.148 ( 0.958 0.000 2.734) 2.897 3.207 ( -1.369 0.000 -4.175) 4.394 3.292 ( 0.199 0.000 3.560) 3.566 3.346 ( -2.897 0.000 -3.445) 4.501 3.393 ( -1.471 0.000 -1.510) 2.108 3.409 ( 3.805 0.000 2.850) 4.754 3.976 ( 2.312 0.000 -0.756) 2.432 3.980 ( 1.137 0.000 -2.324) 2.587 4.076 ( -1.870 0.000 3.235) 3.736 4.083 ( -8.215 0.000 -4.486) 9.360 4.421 ( -4.957 0.000 1.453) 5.165 4.644 ( -2.166 0.000 -0.505) 2.224 4.752 ( -0.129 0.000 -2.390) 2.393 5.006 ( -2.453 0.000 -1.224) 2.742 5.137 ( -1.427 0.000 -0.038) 1.428 5.166 ( 0.270 0.000 0.960) 0.998 5.228 ( -1.379 0.000 -0.280) 1.407 5.260 ( 1.704 0.000 -1.846) 2.512 6.686 ( -1.079 0.000 0.806) 1.347 6.700 ( -0.031 0.000 0.453) 0.454 6.745 ( -1.002 0.000 2.565) 2.753 6.823 ( 0.045 0.000 -0.874) 0.875 7.107 ( 0.530 0.000 0.112) 0.542 7.118 ( 0.376 0.000 -0.147) 0.403 ======================= Grid point 65 (23/75) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 11.157 0.000 5.183) 12.302 0.436 ( 3.818 0.000 -4.473) 5.881 0.568 ( 6.917 0.000 6.038) 9.181 0.919 ( 5.278 0.000 -0.985) 5.369 1.011 ( -0.481 0.000 0.181) 0.514 1.052 ( 7.794 0.000 -0.803) 7.835 1.176 ( -2.530 0.000 -4.181) 4.887 1.200 ( -4.055 0.000 0.133) 4.057 1.295 ( 1.340 0.000 -1.967) 2.380 1.309 ( -0.030 0.000 -4.248) 4.248 1.311 ( -0.084 0.000 4.084) 4.085 1.378 ( -0.618 0.000 2.376) 2.455 1.397 ( 3.140 0.000 -0.654) 3.207 1.434 ( 0.983 0.000 -0.502) 1.104 1.531 ( -1.566 0.000 2.022) 2.557 1.618 ( -1.803 0.000 -4.009) 4.396 1.683 ( -1.496 0.000 -3.600) 3.898 1.714 ( 3.694 0.000 1.396) 3.949 1.788 ( -3.674 0.000 4.698) 5.964 1.822 ( 0.919 0.000 -2.811) 2.957 1.824 ( 0.784 0.000 0.517) 0.939 1.918 ( 1.892 0.000 0.843) 2.072 1.938 ( -0.685 0.000 1.494) 1.644 2.052 ( -3.216 0.000 -1.106) 3.401 2.072 ( -1.550 0.000 0.020) 1.550 2.169 ( -1.820 0.000 -0.789) 1.984 2.515 ( -0.432 0.000 0.991) 1.081 2.545 ( -2.220 0.000 -2.064) 3.032 2.617 ( -1.453 0.000 -0.587) 1.567 2.757 ( -1.194 0.000 1.199) 1.692 2.887 ( -1.657 0.000 -1.216) 2.055 2.903 ( 3.812 0.000 0.416) 3.835 2.945 ( -2.692 0.000 -0.000) 2.692 2.997 ( -1.095 0.000 3.535) 3.701 3.045 ( 1.860 0.000 0.092) 1.862 3.059 ( -2.434 0.000 -3.168) 3.996 3.177 ( 1.379 0.000 4.486) 4.693 3.199 ( 0.906 0.000 -3.634) 3.745 3.279 ( -3.320 0.000 -3.144) 4.572 3.299 ( 0.120 0.000 3.343) 3.345 3.370 ( -0.792 0.000 0.242) 0.828 3.473 ( 1.948 0.000 1.352) 2.371 3.919 ( -6.422 0.000 -4.722) 7.971 4.007 ( -0.811 0.000 -1.251) 1.491 4.021 ( 3.248 0.000 -1.433) 3.550 4.031 ( -0.968 0.000 1.716) 1.970 4.347 ( -2.861 0.000 0.003) 2.861 4.555 ( -6.908 0.000 0.524) 6.928 4.756 ( 0.770 0.000 -1.795) 1.953 4.946 ( -2.229 0.000 2.472) 3.328 5.107 ( -1.474 0.000 -0.307) 1.505 5.167 ( -0.619 0.000 -0.280) 0.680 5.200 ( -1.091 0.000 1.319) 1.712 5.276 ( 0.451 0.000 -1.611) 1.673 6.680 ( 0.051 0.000 0.328) 0.332 6.696 ( -0.372 0.000 0.401) 0.547 6.738 ( -0.190 0.000 2.073) 2.082 6.824 ( 0.177 0.000 -1.187) 1.201 7.119 ( 0.661 0.000 -0.039) 0.662 7.126 ( 0.376 0.000 -0.056) 0.380 ======================= Grid point 66 (24/75) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 9.507 0.000 3.257) 10.050 0.601 ( 9.918 0.000 5.336) 11.262 0.708 ( 5.246 0.000 6.317) 8.211 0.976 ( 0.971 0.000 -2.755) 2.921 0.990 ( -1.952 0.000 -1.897) 2.722 1.069 ( -2.694 0.000 -1.807) 3.244 1.099 ( -3.994 0.000 -0.972) 4.111 1.198 ( 4.465 0.000 -7.380) 8.625 1.200 ( -6.467 0.000 2.355) 6.883 1.290 ( 0.120 0.000 -4.335) 4.337 1.379 ( -1.691 0.000 6.155) 6.383 1.385 ( 2.996 0.000 0.851) 3.115 1.435 ( -0.802 0.000 -2.110) 2.257 1.476 ( 3.591 0.000 -1.943) 4.082 1.569 ( 1.148 0.000 3.127) 3.331 1.609 ( 1.756 0.000 -1.844) 2.547 1.625 ( -3.641 0.000 -2.805) 4.596 1.722 ( -2.704 0.000 -3.681) 4.567 1.768 ( 2.980 0.000 5.850) 6.566 1.825 ( -0.033 0.000 -2.215) 2.215 1.833 ( -0.134 0.000 -1.037) 1.045 1.926 ( -0.747 0.000 1.407) 1.593 1.954 ( -3.281 0.000 0.779) 3.372 1.997 ( 3.044 0.000 -1.494) 3.391 2.046 ( -0.631 0.000 1.401) 1.537 2.119 ( -2.578 0.000 -0.983) 2.759 2.511 ( -0.268 0.000 0.473) 0.544 2.522 ( 0.197 0.000 -1.322) 1.337 2.605 ( 0.459 0.000 0.521) 0.694 2.718 ( -2.495 0.000 -1.358) 2.841 2.845 ( -0.507 0.000 -1.893) 1.959 2.922 ( -4.062 0.000 -2.009) 4.532 2.924 ( -0.213 0.000 2.593) 2.602 2.997 ( 1.362 0.000 2.870) 3.177 3.033 ( 1.459 0.000 0.148) 1.466 3.097 ( 2.090 0.000 0.463) 2.141 3.198 ( -1.227 0.000 1.503) 1.940 3.212 ( 0.378 0.000 -3.371) 3.392 3.225 ( -0.139 0.000 0.617) 0.632 3.306 ( 0.363 0.000 1.357) 1.404 3.362 ( -0.220 0.000 2.707) 2.716 3.485 ( -0.456 0.000 -0.829) 0.946 3.844 ( -0.600 0.000 -2.411) 2.484 3.943 ( -3.806 0.000 -3.230) 4.992 4.054 ( 1.386 0.000 1.227) 1.851 4.086 ( 2.846 0.000 -0.410) 2.875 4.310 ( -0.895 0.000 0.574) 1.063 4.421 ( -6.049 0.000 0.076) 6.050 4.779 ( 1.835 0.000 0.017) 1.835 4.909 ( -2.645 0.000 -0.827) 2.772 5.091 ( 0.036 0.000 0.282) 0.284 5.141 ( -1.418 0.000 -1.314) 1.933 5.198 ( 0.229 0.000 2.348) 2.359 5.278 ( 0.043 0.000 -1.306) 1.307 6.683 ( 0.180 0.000 0.037) 0.184 6.689 ( -0.351 0.000 0.153) 0.383 6.741 ( 0.059 0.000 2.064) 2.065 6.825 ( 0.189 0.000 -1.362) 1.375 7.129 ( 0.318 0.000 -0.115) 0.338 7.131 ( 0.088 0.000 -0.051) 0.102 ======================= Grid point 67 (25/75) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -2.910 0.000 4.581) 5.427 0.669 ( -5.000 0.000 7.830) 9.290 0.813 ( 4.605 0.000 5.788) 7.397 0.913 ( -4.093 0.000 -3.520) 5.398 0.985 ( 0.469 0.000 -4.848) 4.871 1.024 ( 0.491 0.000 -4.681) 4.707 1.091 ( -1.482 0.000 1.300) 1.972 1.129 ( 3.394 0.000 -1.560) 3.735 1.191 ( -11.587 0.000 2.045) 11.766 1.280 ( 4.209 0.000 -4.984) 6.524 1.392 ( 2.237 0.000 -5.115) 5.583 1.401 ( -1.643 0.000 2.125) 2.686 1.439 ( 2.744 0.000 1.969) 3.378 1.516 ( 1.209 0.000 -1.307) 1.781 1.537 ( -3.271 0.000 1.997) 3.833 1.576 ( 0.377 0.000 1.608) 1.652 1.623 ( -2.149 0.000 -2.388) 3.213 1.676 ( 1.143 0.000 -2.719) 2.949 1.825 ( -0.557 0.000 -1.850) 1.933 1.825 ( 0.793 0.000 -1.858) 2.021 1.883 ( 5.169 0.000 5.518) 7.561 1.890 ( -2.394 0.000 -0.787) 2.520 1.916 ( -0.696 0.000 1.575) 1.722 2.035 ( 0.057 0.000 -2.025) 2.026 2.056 ( 1.196 0.000 1.316) 1.778 2.096 ( 0.370 0.000 -1.330) 1.380 2.504 ( -0.398 0.000 -0.234) 0.462 2.546 ( 2.176 0.000 -0.599) 2.257 2.634 ( 2.199 0.000 1.728) 2.797 2.661 ( -3.138 0.000 -2.325) 3.906 2.827 ( -4.052 0.000 -2.704) 4.871 2.875 ( 2.591 0.000 0.988) 2.772 2.947 ( 2.455 0.000 2.781) 3.710 2.997 ( -0.352 0.000 -0.207) 0.408 3.082 ( -3.034 0.000 0.159) 3.038 3.102 ( 3.314 0.000 2.280) 4.023 3.151 ( -2.364 0.000 -0.444) 2.405 3.178 ( -3.032 0.000 -3.018) 4.278 3.286 ( 4.402 0.000 1.882) 4.788 3.335 ( 2.131 0.000 -0.224) 2.143 3.368 ( 0.502 0.000 4.339) 4.368 3.458 ( -2.164 0.000 -1.668) 2.732 3.860 ( -3.914 0.000 -5.486) 6.740 3.885 ( 4.729 0.000 -0.130) 4.730 4.072 ( -0.113 0.000 0.812) 0.820 4.105 ( -0.830 0.000 -0.428) 0.934 4.328 ( 2.642 0.000 2.409) 3.576 4.347 ( -1.573 0.000 -1.415) 2.116 4.822 ( 2.180 0.000 2.211) 3.105 4.832 ( -4.842 0.000 -2.788) 5.588 5.108 ( 1.365 0.000 0.718) 1.542 5.120 ( -0.380 0.000 -1.426) 1.476 5.209 ( 0.529 0.000 2.012) 2.080 5.276 ( -0.021 0.000 -1.387) 1.387 6.685 ( -0.080 0.000 -0.054) 0.096 6.688 ( 0.407 0.000 0.290) 0.500 6.745 ( 0.016 0.000 2.041) 2.041 6.825 ( 0.053 0.000 -1.400) 1.401 7.129 ( -0.256 0.000 -0.111) 0.279 7.130 ( -0.246 0.000 -0.053) 0.251 ======================= Grid point 68 (26/75) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -12.942 0.000 0.108) 12.942 0.535 ( -8.997 0.000 10.289) 13.667 0.803 ( -1.578 0.000 -11.407) 11.515 0.882 ( -15.441 0.000 2.104) 15.583 0.919 ( 2.245 0.000 10.689) 10.922 0.935 ( -4.856 0.000 -5.795) 7.561 1.090 ( 1.512 0.000 -0.823) 1.722 1.133 ( 7.011 0.000 -1.800) 7.238 1.225 ( 5.187 0.000 -2.493) 5.755 1.345 ( 2.981 0.000 -2.836) 4.115 1.355 ( -3.220 0.000 3.172) 4.519 1.412 ( -1.534 0.000 2.606) 3.024 1.479 ( 1.121 0.000 -3.024) 3.225 1.500 ( 2.042 0.000 -4.401) 4.852 1.514 ( -0.361 0.000 0.876) 0.948 1.611 ( 0.146 0.000 0.107) 0.181 1.650 ( 4.212 0.000 3.954) 5.777 1.663 ( -2.636 0.000 -3.983) 4.776 1.778 ( -4.129 0.000 -2.585) 4.871 1.842 ( 0.187 0.000 0.839) 0.860 1.874 ( 0.953 0.000 0.703) 1.184 1.898 ( -1.013 0.000 0.991) 1.417 1.960 ( 2.575 0.000 4.579) 5.253 2.034 ( 0.515 0.000 -2.413) 2.467 2.080 ( 0.782 0.000 -0.096) 0.788 2.101 ( 0.560 0.000 -2.246) 2.315 2.506 ( 0.846 0.000 0.015) 0.846 2.592 ( 2.365 0.000 0.514) 2.420 2.615 ( -0.056 0.000 -1.548) 1.549 2.683 ( 2.069 0.000 2.125) 2.966 2.775 ( -1.167 0.000 -0.803) 1.417 2.909 ( 0.544 0.000 2.091) 2.161 2.980 ( -1.019 0.000 0.258) 1.051 2.993 ( -0.138 0.000 -0.801) 0.813 3.041 ( -0.335 0.000 0.722) 0.796 3.087 ( -3.750 0.000 -4.066) 5.532 3.134 ( 1.187 0.000 0.314) 1.228 3.170 ( 1.745 0.000 2.099) 2.730 3.338 ( -1.217 0.000 0.714) 1.411 3.360 ( 2.611 0.000 0.198) 2.618 3.402 ( -2.930 0.000 -1.119) 3.136 3.431 ( 4.385 0.000 2.882) 5.248 3.784 ( -2.945 0.000 -4.505) 5.382 3.998 ( 5.491 0.000 -0.289) 5.499 4.040 ( -3.101 0.000 -1.185) 3.320 4.074 ( -0.888 0.000 -0.382) 0.967 4.334 ( -0.191 0.000 -2.209) 2.218 4.410 ( 4.758 0.000 5.136) 7.001 4.736 ( -4.103 0.000 -1.535) 4.381 4.854 ( 0.327 0.000 3.245) 3.262 5.122 ( 0.740 0.000 -1.054) 1.288 5.136 ( 1.320 0.000 0.849) 1.569 5.225 ( 0.815 0.000 1.182) 1.435 5.273 ( -0.036 0.000 -1.642) 1.643 6.686 ( 0.171 0.000 -0.154) 0.230 6.702 ( 0.939 0.000 0.723) 1.185 6.749 ( 0.054 0.000 2.158) 2.159 6.824 ( 0.016 0.000 -1.292) 1.292 7.121 ( -0.646 0.000 0.109) 0.655 7.122 ( -0.381 0.000 -0.187) 0.424 ======================= Grid point 69 (27/75) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( -15.738 0.000 -4.525) 16.376 0.393 ( -7.132 0.000 14.364) 16.037 0.575 ( -15.862 0.000 13.289) 20.693 0.788 ( 1.958 0.000 -12.878) 13.027 0.879 ( -0.847 0.000 -9.352) 9.390 0.993 ( 2.603 0.000 6.443) 6.949 1.127 ( 2.726 0.000 0.357) 2.750 1.243 ( 4.253 0.000 -2.215) 4.795 1.261 ( -3.850 0.000 -0.394) 3.871 1.331 ( 3.330 0.000 -1.028) 3.486 1.360 ( -1.267 0.000 -2.479) 2.783 1.398 ( 0.234 0.000 1.653) 1.670 1.480 ( 1.897 0.000 -0.482) 1.957 1.481 ( -7.609 0.000 -5.787) 9.560 1.559 ( 0.077 0.000 1.743) 1.745 1.590 ( 5.463 0.000 -3.242) 6.353 1.647 ( 1.212 0.000 5.295) 5.432 1.675 ( -1.867 0.000 -2.080) 2.795 1.711 ( -1.826 0.000 -1.318) 2.252 1.794 ( -4.080 0.000 2.820) 4.960 1.907 ( 1.479 0.000 1.821) 2.346 1.909 ( 0.743 0.000 1.205) 1.416 2.009 ( 1.018 0.000 4.152) 4.275 2.044 ( 0.914 0.000 -2.566) 2.724 2.078 ( -0.803 0.000 -0.123) 0.813 2.114 ( 1.162 0.000 -2.435) 2.698 2.533 ( 1.537 0.000 0.998) 1.833 2.652 ( 3.241 0.000 -1.407) 3.533 2.662 ( 3.971 0.000 0.294) 3.982 2.703 ( -0.409 0.000 2.124) 2.163 2.787 ( 3.224 0.000 6.240) 7.024 2.884 ( -2.448 0.000 -0.655) 2.535 2.982 ( -0.853 0.000 -0.491) 0.984 2.994 ( 2.471 0.000 1.483) 2.882 3.039 ( 0.138 0.000 1.507) 1.514 3.040 ( 1.762 0.000 0.585) 1.857 3.157 ( 0.014 0.000 -0.790) 0.790 3.195 ( 0.705 0.000 2.330) 2.435 3.306 ( -1.976 0.000 -1.588) 2.535 3.346 ( -1.563 0.000 0.021) 1.563 3.398 ( 0.681 0.000 -0.938) 1.159 3.488 ( -0.616 0.000 -2.012) 2.104 3.793 ( 7.790 0.000 9.601) 12.364 3.973 ( -2.494 0.000 -1.695) 3.016 4.002 ( -1.800 0.000 -1.122) 2.121 4.150 ( 5.140 0.000 -1.143) 5.265 4.348 ( 4.295 0.000 4.439) 6.176 4.496 ( 2.500 0.000 6.160) 6.648 4.684 ( -1.389 0.000 0.630) 1.525 4.838 ( -2.467 0.000 2.499) 3.512 5.139 ( 0.993 0.000 -0.138) 1.002 5.157 ( 0.549 0.000 0.860) 1.021 5.241 ( 0.628 0.000 0.152) 0.646 5.268 ( -0.244 0.000 -1.758) 1.775 6.690 ( 0.306 0.000 -0.087) 0.319 6.721 ( 0.529 0.000 -0.150) 0.549 6.764 ( 1.501 0.000 2.658) 3.053 6.823 ( 0.102 0.000 -1.001) 1.006 7.109 ( -0.575 0.000 0.249) 0.626 7.115 ( -0.221 0.000 -0.252) 0.335 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 9.884 9.621 8.034) 15.962 0.364 ( -0.331 11.053 6.921) 13.046 0.708 ( -2.066 20.210 11.154) 23.176 0.772 ( 1.597 0.434 -9.564) 9.706 0.848 ( -7.387 1.205 -10.180) 12.636 1.084 ( 1.585 3.179 0.603) 3.603 1.148 ( -1.006 0.403 -0.173) 1.097 1.228 ( -0.711 0.494 1.760) 1.962 1.295 ( 1.315 -0.671 -3.482) 3.782 1.329 ( -1.127 0.563 -3.945) 4.141 1.344 ( -0.061 1.640 -0.761) 1.810 1.384 ( -0.056 1.110 -3.350) 3.529 1.465 ( -1.548 0.566 0.207) 1.661 1.499 ( 1.649 1.680 0.870) 2.510 1.608 ( -1.501 3.514 2.982) 4.847 1.621 ( -0.875 -0.397 -1.216) 1.550 1.648 ( 2.444 -1.828 -3.466) 4.619 1.708 ( -1.335 1.266 -0.510) 1.909 1.746 ( 5.095 1.043 5.629) 7.664 1.782 ( 1.773 1.273 1.330) 2.556 1.878 ( -0.456 -1.373 4.080) 4.329 1.913 ( -1.351 0.573 1.586) 2.161 1.977 ( -2.134 0.071 3.240) 3.880 2.057 ( 0.377 -1.082 -0.041) 1.146 2.114 ( 0.562 4.904 -1.761) 5.241 2.171 ( 1.239 2.187 -4.052) 4.769 2.516 ( 0.161 -3.008 0.868) 3.135 2.605 ( -1.104 -4.691 -2.893) 5.620 2.667 ( -0.498 -2.119 1.531) 2.661 2.720 ( 0.898 -2.085 4.752) 5.266 2.732 ( 1.898 -2.904 1.085) 3.636 2.873 ( -1.072 -1.349 -1.116) 2.053 2.948 ( -0.331 -1.742 0.687) 1.902 3.000 ( 0.381 -4.079 1.262) 4.287 3.051 ( -1.133 -2.166 -1.198) 2.723 3.106 ( 1.042 -1.653 -2.250) 2.980 3.172 ( 0.353 2.393 0.612) 2.495 3.204 ( 2.217 -1.888 2.853) 4.077 3.294 ( -1.313 2.963 -3.672) 4.897 3.346 ( -2.249 -1.689 -2.186) 3.562 3.427 ( 1.804 4.311 0.165) 4.676 3.496 ( -3.063 3.451 -1.330) 4.802 3.905 ( 5.293 -3.640 5.712) 8.596 3.951 ( 1.176 -1.395 0.503) 1.892 4.013 ( 0.951 -1.022 -0.648) 1.540 4.149 ( -1.738 -3.913 -2.756) 5.092 4.452 ( 2.745 -5.215 4.064) 7.158 4.463 ( 1.127 -5.320 3.834) 6.654 4.693 ( 2.891 -0.330 2.430) 3.791 4.769 ( -2.451 -1.210 -0.874) 2.870 5.238 ( -0.513 7.058 0.827) 7.125 5.279 ( 0.425 4.661 -0.502) 4.707 5.304 ( -0.149 4.835 0.348) 4.850 5.416 ( 2.531 6.805 -6.123) 9.498 6.687 ( -0.667 -1.427 1.094) 1.918 6.696 ( 0.239 0.066 -0.011) 0.248 6.748 ( -0.348 -0.272 2.239) 2.282 6.861 ( -0.122 0.204 -3.232) 3.240 7.101 ( -0.083 -0.140 0.220) 0.273 7.112 ( 0.096 -0.223 -0.231) 0.335 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.14 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 2.390 13.820 1.864) 14.148 0.536 ( 2.823 8.742 6.993) 11.546 0.627 ( -5.949 4.127 -9.279) 11.769 0.813 ( 7.328 3.023 -1.533) 8.073 0.848 ( 7.695 8.481 1.584) 11.560 1.069 ( -1.422 1.426 0.806) 2.169 1.156 ( 0.820 -0.217 -0.125) 0.858 1.252 ( 2.884 0.288 4.466) 5.324 1.305 ( 0.260 2.882 -2.003) 3.520 1.324 ( -2.075 1.414 -0.121) 2.514 1.336 ( 2.075 2.170 -4.772) 5.638 1.388 ( -0.692 -0.143 -2.045) 2.163 1.424 ( -1.360 0.279 0.723) 1.565 1.488 ( -5.063 1.875 -2.486) 5.944 1.569 ( 2.292 -1.201 -0.517) 2.639 1.628 ( -0.576 2.668 1.226) 2.992 1.661 ( -0.128 0.737 0.412) 0.854 1.709 ( 0.526 -0.360 -2.420) 2.503 1.791 ( -0.920 -1.206 -1.935) 2.459 1.830 ( -0.026 0.063 4.446) 4.447 1.848 ( 0.012 0.371 -0.055) 0.375 1.913 ( 0.346 2.070 3.412) 4.006 1.950 ( -0.995 0.775 3.764) 3.970 2.058 ( -0.170 -1.263 -0.577) 1.399 2.119 ( -0.112 3.589 -1.170) 3.777 2.186 ( 0.515 1.026 -2.653) 2.890 2.499 ( -1.385 -2.856 0.607) 3.231 2.584 ( -0.827 -2.194 -2.070) 3.127 2.650 ( -1.686 -0.148 -0.425) 1.746 2.733 ( 0.092 -2.336 5.043) 5.559 2.779 ( 2.931 -4.336 0.770) 5.290 2.877 ( 1.081 -1.633 -0.979) 2.189 2.947 ( -0.205 -3.396 2.468) 4.203 2.984 ( -2.707 -5.056 -1.950) 6.058 3.022 ( -0.342 0.190 1.012) 1.085 3.109 ( -0.577 -0.983 -2.205) 2.482 3.174 ( 0.102 1.739 1.978) 2.635 3.221 ( -2.245 1.531 -3.158) 4.166 3.268 ( 0.208 -1.124 1.699) 2.048 3.311 ( -0.596 -0.653 -1.968) 2.157 3.433 ( -2.884 1.921 -1.389) 3.733 3.474 ( 2.671 4.291 2.233) 5.526 3.953 ( 1.185 -0.900 -0.714) 1.651 3.983 ( 0.946 -1.183 -1.157) 1.906 4.041 ( -1.194 -2.854 2.209) 3.801 4.051 ( -4.793 -2.704 -3.242) 6.387 4.409 ( -3.166 -0.899 0.816) 3.391 4.508 ( -0.960 -10.248 2.594) 10.615 4.734 ( -0.380 -2.045 -1.521) 2.576 4.800 ( 5.476 -3.699 3.753) 7.599 5.215 ( -1.741 6.957 0.256) 7.176 5.270 ( -1.201 4.740 -0.411) 4.907 5.299 ( -0.427 4.971 0.321) 5.000 5.402 ( -2.519 7.027 -3.883) 8.414 6.677 ( -0.388 -0.530 0.889) 1.105 6.699 ( 0.006 0.051 0.143) 0.151 6.743 ( -0.463 0.012 2.084) 2.135 6.840 ( -0.960 0.597 -2.140) 2.420 7.105 ( 0.491 -0.177 0.125) 0.537 7.116 ( 0.361 -0.247 -0.148) 0.461 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.29 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 5.558 6.201 -4.490) 9.460 0.528 ( 5.711 10.220 0.959) 11.747 0.693 ( 5.882 9.527 5.400) 12.430 0.915 ( 5.637 -3.758 -6.744) 9.559 0.976 ( 1.285 3.649 -0.024) 3.869 1.106 ( 4.255 3.586 3.138) 6.389 1.150 ( -1.939 0.031 -0.363) 1.973 1.227 ( -6.177 1.840 1.193) 6.555 1.301 ( -2.344 1.432 -1.703) 3.232 1.317 ( 1.094 -0.758 0.799) 1.552 1.353 ( 0.549 1.669 -1.117) 2.082 1.402 ( 2.244 1.940 -2.623) 3.960 1.416 ( 3.579 2.961 -0.087) 4.646 1.464 ( 2.287 2.240 2.605) 4.127 1.556 ( -1.956 1.446 -1.201) 2.713 1.586 ( -1.890 -1.638 -2.590) 3.601 1.677 ( -2.951 -0.332 -1.134) 3.178 1.724 ( 3.671 1.846 0.815) 4.189 1.779 ( -0.776 -2.476 -1.679) 3.090 1.795 ( -1.688 -0.191 4.555) 4.861 1.864 ( 0.047 2.445 -0.498) 2.496 1.922 ( 0.465 -0.122 0.756) 0.895 1.953 ( 0.494 1.814 3.821) 4.258 2.033 ( -2.197 -0.937 -1.577) 2.862 2.094 ( -2.069 2.344 -1.039) 3.294 2.173 ( -1.468 0.822 -2.097) 2.688 2.486 ( 0.124 -2.158 0.301) 2.182 2.561 ( -1.430 0.763 -1.591) 2.272 2.612 ( -1.417 -0.327 -0.780) 1.650 2.734 ( -0.915 -2.110 1.415) 2.700 2.839 ( 1.872 -4.224 0.892) 4.706 2.880 ( -0.196 -2.549 -0.210) 2.566 2.920 ( -2.660 -3.381 -1.315) 4.498 2.942 ( -0.834 -4.559 2.497) 5.265 3.040 ( 1.683 0.062 0.815) 1.871 3.079 ( -1.391 1.244 -1.924) 2.680 3.181 ( -0.431 0.588 -0.483) 0.875 3.190 ( 0.600 -0.333 0.807) 1.059 3.252 ( -1.434 -1.910 -1.262) 2.701 3.315 ( 0.098 1.772 1.711) 2.465 3.387 ( -1.390 0.972 0.495) 1.767 3.522 ( 1.313 3.473 1.097) 3.871 3.891 ( -5.112 -2.145 -4.195) 6.952 3.981 ( 0.562 -1.177 -0.938) 1.607 4.022 ( -0.237 -0.930 2.135) 2.341 4.044 ( 1.764 0.727 -1.657) 2.527 4.352 ( -2.761 0.155 -0.224) 2.775 4.459 ( -4.064 -6.870 2.015) 8.232 4.734 ( 0.703 -1.823 -1.534) 2.484 4.884 ( 2.385 -2.852 2.158) 4.299 5.181 ( -1.544 6.687 -0.182) 6.865 5.238 ( -1.874 4.879 -0.193) 5.230 5.287 ( -0.852 6.341 0.277) 6.404 5.347 ( -2.151 6.174 -1.428) 6.693 6.675 ( -0.030 -0.384 0.437) 0.582 6.697 ( -0.203 0.144 0.046) 0.253 6.739 ( -0.228 0.072 1.941) 1.956 6.826 ( -0.278 0.079 -1.502) 1.530 7.117 ( 0.639 -0.238 -0.013) 0.682 7.123 ( 0.364 -0.270 -0.059) 0.457 ======================= Grid point 73 (31/75) ======================= q-point: ( 0.43 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 9.054 3.029 2.635) 9.904 0.686 ( 7.513 8.241 3.595) 11.717 0.799 ( 3.145 6.055 4.952) 8.431 0.966 ( 0.832 0.822 -0.087) 1.172 1.024 ( 4.310 2.270 -4.879) 6.895 1.083 ( -3.716 -0.038 -3.314) 4.979 1.117 ( -3.408 4.996 -0.723) 6.091 1.154 ( -0.447 -1.690 -1.758) 2.479 1.220 ( -3.875 1.654 -0.660) 4.264 1.316 ( 1.602 2.121 -2.826) 3.879 1.386 ( -0.094 -1.283 1.774) 2.191 1.413 ( 0.646 0.704 1.172) 1.512 1.477 ( -3.724 4.844 0.921) 6.179 1.518 ( 4.587 2.911 -3.194) 6.302 1.550 ( 1.054 -0.396 3.711) 3.878 1.597 ( -0.468 -1.882 -2.369) 3.062 1.611 ( -0.697 0.617 -1.599) 1.850 1.711 ( -4.146 -0.925 -1.642) 4.554 1.781 ( 2.260 -0.662 0.532) 2.414 1.807 ( 1.603 0.052 2.913) 3.325 1.835 ( -2.125 -0.040 -1.094) 2.390 1.922 ( -1.020 -0.814 1.666) 2.116 1.952 ( -1.972 0.462 0.827) 2.188 2.024 ( 2.019 1.485 -0.026) 2.507 2.068 ( 0.205 3.767 -0.044) 3.772 2.135 ( -1.528 1.746 -2.325) 3.285 2.503 ( 1.031 -0.838 0.700) 1.502 2.528 ( -0.974 0.627 -0.817) 1.418 2.609 ( 1.029 0.126 -0.548) 1.173 2.703 ( -2.034 -1.643 -1.611) 3.071 2.817 ( -1.568 -2.734 -0.782) 3.247 2.867 ( -2.216 -4.466 -0.112) 4.987 2.911 ( -0.336 -2.454 0.555) 2.538 2.938 ( 0.738 -4.788 1.509) 5.074 3.046 ( 0.736 0.987 0.536) 1.343 3.100 ( 1.726 0.328 1.212) 2.135 3.184 ( 0.200 -1.295 -1.669) 2.122 3.202 ( -0.650 0.352 1.458) 1.635 3.219 ( -0.008 -1.097 -0.580) 1.241 3.316 ( 0.096 0.662 1.249) 1.417 3.378 ( -0.241 1.601 2.815) 3.248 3.522 ( -0.929 2.705 -1.624) 3.289 3.834 ( -0.211 -0.769 -1.563) 1.754 3.950 ( -2.700 0.289 -2.708) 3.835 4.042 ( 1.473 -0.855 1.613) 2.346 4.092 ( 2.233 0.082 -0.483) 2.286 4.310 ( -1.169 -0.319 -0.024) 1.212 4.379 ( -3.870 -2.746 0.836) 4.819 4.759 ( 1.963 -1.487 0.203) 2.471 4.892 ( -1.605 -1.302 -1.065) 2.325 5.167 ( 0.196 6.928 0.231) 6.935 5.204 ( -1.461 5.057 -0.255) 5.270 5.274 ( -0.385 6.983 0.491) 7.010 5.319 ( -0.740 3.936 -0.906) 4.106 6.676 ( 0.060 -0.460 0.315) 0.560 6.692 ( -0.236 0.233 -0.236) 0.407 6.741 ( 0.028 -0.007 1.955) 1.955 6.822 ( 0.056 -0.310 -1.389) 1.424 7.127 ( 0.308 -0.272 -0.087) 0.420 7.128 ( 0.094 -0.273 -0.044) 0.292 ======================= Grid point 74 (32/75) ======================= q-point: (-0.43 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -5.767 2.925 4.512) 7.885 0.724 ( -0.494 5.476 2.832) 6.185 0.895 ( 4.644 4.700 8.993) 11.159 0.917 ( -5.076 2.648 -5.780) 8.135 1.032 ( -1.565 0.750 -2.526) 3.064 1.059 ( -1.181 4.581 -3.173) 5.696 1.109 ( 2.657 4.884 -0.725) 5.607 1.132 ( -0.128 2.472 -1.876) 3.106 1.229 ( 4.603 -2.542 -4.373) 6.840 1.333 ( -5.663 8.363 1.701) 10.242 1.361 ( -1.210 -2.029 0.693) 2.462 1.382 ( -1.901 -1.015 -2.635) 3.404 1.444 ( 3.334 0.221 1.046) 3.501 1.521 ( -2.184 -0.394 1.293) 2.569 1.548 ( -3.036 -0.062 -0.782) 3.136 1.566 ( 1.091 -0.792 0.359) 1.395 1.635 ( 0.750 1.848 -1.053) 2.255 1.674 ( 1.950 0.188 -2.474) 3.156 1.790 ( 0.539 -3.211 -0.529) 3.299 1.830 ( 0.819 -0.188 0.780) 1.147 1.868 ( -0.195 -0.578 1.569) 1.684 1.903 ( -0.137 -0.508 0.377) 0.647 1.925 ( 0.669 1.950 2.353) 3.129 2.043 ( -0.788 1.087 1.473) 1.993 2.077 ( 0.941 3.280 -2.494) 4.227 2.135 ( 1.194 3.293 -1.877) 3.974 2.490 ( -1.080 -0.903 0.316) 1.443 2.560 ( 2.765 0.910 -0.456) 2.947 2.639 ( 1.868 0.064 0.106) 1.872 2.655 ( -2.598 -1.141 -2.201) 3.591 2.768 ( -3.089 -4.336 -0.305) 5.333 2.874 ( 2.772 -2.057 -0.262) 3.461 2.912 ( 0.795 -2.869 1.929) 3.548 2.933 ( -0.782 -5.068 -0.288) 5.136 3.085 ( -0.026 0.220 1.821) 1.834 3.108 ( 1.269 0.338 1.956) 2.356 3.147 ( -2.694 -0.220 -2.452) 3.650 3.181 ( -0.936 -0.030 -1.859) 2.082 3.267 ( 2.208 -1.440 2.492) 3.628 3.340 ( 2.979 0.599 0.030) 3.039 3.382 ( 0.236 1.610 4.081) 4.393 3.490 ( -2.059 2.244 -2.526) 3.957 3.867 ( 1.236 0.468 -1.237) 1.810 3.893 ( -0.126 0.471 -2.771) 2.814 4.063 ( 0.071 -0.719 1.320) 1.505 4.103 ( -0.865 -0.405 -0.610) 1.134 4.318 ( 1.689 -0.956 1.040) 2.202 4.335 ( -0.316 -0.431 -0.060) 0.538 4.794 ( -0.045 -1.666 1.298) 2.113 4.835 ( -2.269 -0.249 -2.095) 3.098 5.178 ( 0.321 6.543 0.242) 6.555 5.196 ( 1.070 6.018 -0.336) 6.121 5.275 ( 0.395 6.481 0.709) 6.532 5.311 ( 0.056 3.398 -1.041) 3.554 6.679 ( 0.240 -0.479 0.446) 0.697 6.688 ( -0.081 0.142 -0.294) 0.336 6.745 ( 0.030 -0.032 1.907) 1.907 6.822 ( 0.213 -0.321 -1.422) 1.473 7.126 ( -0.240 -0.249 -0.094) 0.359 7.127 ( -0.230 -0.267 -0.035) 0.354 ======================= Grid point 75 (33/75) ======================= q-point: (-0.29 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -8.928 6.555 3.770) 11.700 0.609 ( -11.346 5.635 -1.086) 12.714 0.809 ( -4.470 1.505 -9.620) 10.714 0.928 ( 0.463 2.969 7.806) 8.365 1.000 ( -4.552 5.900 -2.003) 7.717 1.024 ( -5.025 6.604 -1.495) 8.432 1.116 ( 4.000 1.579 0.952) 4.404 1.154 ( 0.967 5.591 0.827) 5.734 1.261 ( 2.110 2.241 -1.726) 3.529 1.317 ( 1.196 -1.812 1.475) 2.625 1.352 ( 1.803 0.246 0.735) 1.963 1.401 ( 1.591 0.051 -0.382) 1.637 1.464 ( -1.259 -1.230 -2.667) 3.196 1.491 ( -0.891 -0.394 -2.987) 3.142 1.507 ( 1.464 -1.170 1.094) 2.170 1.631 ( 3.560 -0.265 0.866) 3.673 1.648 ( -0.737 2.523 0.052) 2.629 1.709 ( 1.911 2.357 -0.292) 3.049 1.767 ( -4.331 -0.952 -2.796) 5.242 1.825 ( -0.925 -1.231 2.243) 2.720 1.863 ( 0.824 -0.010 1.552) 1.757 1.901 ( 0.202 0.005 1.769) 1.781 1.966 ( 1.736 0.266 2.352) 2.935 2.027 ( -0.272 0.277 0.030) 0.390 2.091 ( 0.804 2.581 -2.807) 3.897 2.147 ( 0.618 3.421 -2.124) 4.073 2.478 ( -0.049 -2.197 -0.129) 2.201 2.610 ( -0.822 -1.071 -1.555) 2.059 2.612 ( 2.525 0.970 -0.459) 2.744 2.673 ( 1.216 -1.810 0.577) 2.256 2.736 ( -0.683 -2.735 2.061) 3.492 2.896 ( 0.291 -2.482 0.281) 2.515 2.920 ( 0.264 -2.747 0.656) 2.837 2.966 ( 2.198 -5.286 0.306) 5.733 3.054 ( -1.942 1.088 1.067) 2.468 3.103 ( -0.910 0.457 -3.580) 3.722 3.146 ( -0.187 1.712 -0.709) 1.862 3.165 ( 1.243 -0.237 1.505) 1.967 3.299 ( 0.943 -2.099 0.337) 2.325 3.383 ( 0.714 2.037 0.620) 2.246 3.413 ( -0.016 0.584 0.468) 0.749 3.464 ( 2.252 2.284 1.832) 3.694 3.813 ( -2.854 2.174 -4.205) 5.528 3.984 ( 5.084 -1.306 0.628) 5.287 4.040 ( -2.164 -0.182 -1.016) 2.397 4.073 ( -1.370 -0.280 -0.587) 1.516 4.335 ( 0.832 0.331 -0.641) 1.101 4.388 ( 3.752 -1.749 3.263) 5.271 4.726 ( -3.911 -0.749 -1.733) 4.343 4.842 ( 0.103 -1.115 2.545) 2.780 5.195 ( 1.665 6.071 -0.212) 6.299 5.224 ( 1.539 6.906 -0.076) 7.076 5.289 ( 0.818 5.819 0.314) 5.885 5.320 ( 1.130 4.661 -1.247) 4.956 6.686 ( 0.299 -0.178 0.183) 0.393 6.689 ( 0.181 -0.609 0.366) 0.733 6.747 ( -0.063 -0.023 1.863) 1.864 6.828 ( 0.725 0.084 -1.566) 1.727 7.118 ( -0.603 -0.241 0.082) 0.654 7.120 ( -0.382 -0.201 -0.146) 0.456 ======================= Grid point 76 (34/75) ======================= q-point: (-0.14 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -10.854 10.667 -6.186) 16.427 0.422 ( -6.251 7.949 7.888) 12.825 0.744 ( -0.988 2.081 -7.053) 7.420 0.831 ( -7.945 15.761 6.241) 18.721 0.953 ( -3.012 3.021 -5.161) 6.696 1.015 ( 4.149 3.203 3.187) 6.134 1.165 ( 1.241 1.990 0.573) 2.414 1.221 ( 3.589 -1.304 -0.872) 3.917 1.249 ( -1.332 -1.580 -0.262) 2.083 1.346 ( 0.559 1.826 -0.133) 1.914 1.389 ( 0.499 0.677 -1.381) 1.617 1.411 ( -0.698 2.009 -1.998) 2.918 1.462 ( 0.548 -1.875 -0.802) 2.112 1.487 ( 0.406 0.573 -1.235) 1.421 1.562 ( 1.458 1.518 0.602) 2.189 1.587 ( 0.526 1.200 -4.683) 4.863 1.675 ( 0.495 0.438 2.574) 2.657 1.698 ( -1.688 2.430 1.015) 3.128 1.726 ( 0.134 1.084 -2.256) 2.507 1.789 ( -3.467 0.516 2.808) 4.491 1.867 ( 0.420 -0.929 3.370) 3.521 1.920 ( 0.644 -0.705 1.699) 1.949 1.998 ( 0.065 0.018 4.070) 4.071 2.038 ( 1.302 -1.081 -0.275) 1.715 2.103 ( 0.906 3.655 -2.293) 4.409 2.157 ( 0.874 3.069 -3.239) 4.547 2.493 ( 1.468 -3.111 0.397) 3.463 2.615 ( 0.887 -3.489 -1.317) 3.833 2.660 ( 1.890 -0.995 0.065) 2.137 2.691 ( 0.855 -2.832 2.693) 4.001 2.718 ( -1.337 -1.814 2.855) 3.637 2.900 ( -0.863 -1.552 0.308) 1.803 2.947 ( 1.669 -2.380 0.136) 2.910 2.983 ( 0.564 -3.863 1.410) 4.151 3.035 ( 0.856 -1.752 -1.079) 2.229 3.093 ( 0.469 2.092 -2.650) 3.409 3.154 ( 0.789 1.147 -0.267) 1.418 3.185 ( 0.316 -0.768 1.846) 2.024 3.306 ( 0.069 0.702 -1.732) 1.870 3.382 ( -1.170 0.102 -0.129) 1.182 3.400 ( 0.731 3.599 -1.400) 3.930 3.529 ( 1.240 1.943 1.170) 2.584 3.787 ( 2.109 0.732 3.595) 4.232 3.970 ( -2.732 -0.035 -1.310) 3.030 4.020 ( -0.897 0.427 -2.310) 2.515 4.119 ( 4.170 -2.689 -0.334) 4.973 4.362 ( 2.498 1.186 2.322) 3.611 4.452 ( 1.859 -3.370 3.722) 5.354 4.677 ( -0.982 -0.506 0.236) 1.130 4.822 ( -2.432 -1.452 1.609) 3.257 5.229 ( 1.289 6.507 0.757) 6.676 5.255 ( 1.883 5.927 -0.685) 6.257 5.302 ( 0.384 5.124 0.144) 5.141 5.356 ( 3.176 7.276 -3.133) 8.534 6.691 ( 0.281 0.155 -0.175) 0.365 6.693 ( -0.056 -1.673 1.047) 1.974 6.749 ( -0.129 -0.172 2.036) 2.047 6.847 ( 1.490 0.385 -2.274) 2.746 7.107 ( -0.547 -0.181 0.222) 0.618 7.113 ( -0.232 -0.202 -0.234) 0.387 ======================= Grid point 77 (35/75) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 6.607 8.735 5.907) 12.444 0.627 ( 0.302 13.337 -2.337) 13.544 0.821 ( 1.995 6.121 -6.451) 9.114 0.884 ( -7.205 3.872 -4.894) 9.532 1.060 ( -0.039 8.012 3.075) 8.582 1.117 ( -2.127 4.164 1.010) 4.783 1.179 ( -0.543 -1.542 0.834) 1.836 1.185 ( 2.028 0.524 0.692) 2.206 1.287 ( 0.543 0.198 0.021) 0.578 1.323 ( -0.054 0.605 -1.103) 1.259 1.391 ( -1.091 0.306 -2.186) 2.462 1.410 ( 0.465 2.652 -0.900) 2.838 1.452 ( -0.222 -0.291 1.632) 1.673 1.567 ( 1.449 3.318 1.124) 3.791 1.602 ( -5.212 -1.401 -3.198) 6.273 1.624 ( 2.733 -0.698 -1.064) 3.015 1.683 ( 1.048 5.174 1.012) 5.375 1.731 ( -0.396 1.044 -1.047) 1.530 1.767 ( 2.716 0.012 2.129) 3.450 1.818 ( 0.906 1.391 0.194) 1.671 1.868 ( -1.820 1.667 2.484) 3.502 1.916 ( 0.301 0.660 -0.649) 0.974 2.019 ( -1.084 0.846 1.967) 2.400 2.052 ( 0.780 4.163 2.063) 4.711 2.195 ( 1.883 2.227 -1.041) 3.096 2.219 ( -0.805 3.059 -2.558) 4.068 2.459 ( 0.736 -2.955 0.349) 3.066 2.516 ( -0.813 -3.769 -2.560) 4.628 2.598 ( 0.288 -5.347 6.092) 8.111 2.645 ( 1.425 -3.315 4.795) 6.001 2.709 ( -0.098 -1.602 -0.634) 1.726 2.835 ( -0.704 -2.526 0.597) 2.689 2.881 ( -0.207 -6.751 -2.031) 7.053 2.918 ( -0.426 -2.839 -1.962) 3.477 3.030 ( 1.044 0.583 0.179) 1.209 3.083 ( -1.021 0.632 -1.268) 1.746 3.186 ( 0.718 0.496 2.127) 2.299 3.239 ( 1.136 2.886 0.889) 3.226 3.324 ( 0.567 1.220 -1.736) 2.196 3.350 ( -2.971 1.224 -1.528) 3.558 3.470 ( 1.165 0.420 -0.794) 1.472 3.526 ( -2.495 -0.476 -1.045) 2.746 3.858 ( 4.408 -1.359 5.312) 7.036 3.952 ( -0.259 1.188 -0.729) 1.418 4.000 ( 0.117 -1.038 -1.698) 1.993 4.077 ( -2.229 -3.167 -2.842) 4.804 4.409 ( 0.732 -0.497 1.073) 1.391 4.410 ( -0.494 -1.558 0.888) 1.860 4.683 ( 2.250 -0.800 1.388) 2.762 4.736 ( -2.208 -2.176 -0.648) 3.167 5.367 ( 0.382 5.249 0.260) 5.269 5.387 ( -0.068 5.720 -0.560) 5.748 5.395 ( -0.195 5.277 1.499) 5.489 5.467 ( 0.745 0.740 -1.439) 1.782 6.678 ( -0.189 0.344 0.988) 1.063 6.706 ( 0.203 0.973 -0.503) 1.114 6.749 ( -0.290 0.216 1.675) 1.714 6.845 ( 0.131 -1.377 -2.330) 2.709 7.097 ( -0.054 -0.172 0.167) 0.246 7.106 ( 0.061 -0.341 -0.186) 0.393 ======================= Grid point 78 (36/75) ======================= q-point: ( 0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.137 8.843 -5.218) 10.268 0.690 ( 2.365 8.294 1.036) 8.687 0.745 ( 0.383 9.448 -3.181) 9.976 0.860 ( 2.496 6.108 -4.044) 7.739 1.073 ( -2.579 1.725 -0.180) 3.108 1.101 ( 2.364 3.838 3.909) 5.966 1.181 ( 3.344 3.334 1.757) 5.038 1.218 ( 0.747 -0.846 -0.501) 1.234 1.327 ( 0.397 0.597 -0.654) 0.971 1.338 ( 3.580 -1.581 1.282) 4.118 1.378 ( -2.112 2.500 1.314) 3.527 1.400 ( -0.568 1.581 -0.937) 1.924 1.454 ( -0.429 3.179 1.710) 3.635 1.495 ( -1.816 -0.483 -5.217) 5.545 1.587 ( -1.314 2.960 0.102) 3.240 1.650 ( 0.460 -0.444 1.421) 1.558 1.707 ( -1.995 0.769 -0.834) 2.295 1.713 ( 1.177 2.722 -0.571) 3.020 1.777 ( -0.855 0.091 -1.434) 1.672 1.805 ( -1.929 -2.765 3.647) 4.966 1.871 ( 1.557 2.584 -0.330) 3.035 1.930 ( 0.315 1.140 0.060) 1.185 2.016 ( 0.600 2.312 2.151) 3.214 2.053 ( -0.818 3.599 1.650) 4.043 2.187 ( -1.635 2.858 -1.794) 3.749 2.217 ( 0.101 1.852 -2.169) 2.854 2.452 ( -0.552 -1.512 -0.266) 1.631 2.529 ( 1.820 -3.343 -0.997) 3.934 2.623 ( 0.463 -3.353 4.280) 5.457 2.680 ( 0.631 -2.495 3.576) 4.406 2.706 ( 1.152 -3.353 1.424) 3.821 2.823 ( -1.008 -3.710 -2.078) 4.371 2.864 ( -1.156 -6.166 -1.027) 6.357 2.897 ( -1.028 -2.401 -0.888) 2.759 3.042 ( -0.019 1.740 -0.210) 1.753 3.077 ( 0.934 -0.876 -0.715) 1.467 3.199 ( 0.127 1.202 2.358) 2.650 3.247 ( -0.711 0.111 -0.374) 0.811 3.274 ( -3.884 2.609 -2.379) 5.249 3.339 ( 1.215 2.548 0.298) 2.838 3.445 ( -3.447 -0.443 -1.223) 3.684 3.520 ( 2.096 0.215 1.282) 2.466 3.937 ( 1.170 -2.665 2.483) 3.826 3.951 ( -0.604 0.303 -1.668) 1.800 3.994 ( -3.029 -2.054 -2.266) 4.304 4.017 ( 1.565 -0.977 -0.569) 1.931 4.391 ( -1.945 -1.226 0.367) 2.328 4.405 ( -0.965 -1.416 1.153) 2.065 4.700 ( -0.369 -1.472 -1.003) 1.819 4.762 ( 4.280 -1.905 1.757) 5.003 5.350 ( -1.958 6.700 -0.348) 6.989 5.382 ( 0.037 3.859 0.330) 3.873 5.388 ( -1.123 6.420 0.565) 6.542 5.465 ( -0.848 0.985 -0.949) 1.609 6.676 ( -0.141 0.508 0.801) 0.959 6.707 ( 0.020 0.874 -0.491) 1.003 6.745 ( -0.375 0.200 1.701) 1.754 6.836 ( -0.575 -0.873 -2.011) 2.267 7.102 ( 0.428 -0.187 0.105) 0.479 7.110 ( 0.335 -0.370 -0.126) 0.515 ======================= Grid point 79 (37/75) ======================= q-point: ( 0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 2.868 7.912 -7.198) 11.074 0.737 ( 4.729 9.746 2.113) 11.036 0.847 ( 4.725 7.589 0.627) 8.962 0.919 ( 4.713 4.727 -3.435) 7.508 1.036 ( -0.571 2.453 -0.045) 2.519 1.129 ( -0.260 -0.330 0.355) 0.550 1.210 ( -2.676 2.948 -2.043) 4.475 1.235 ( 0.541 -4.900 1.646) 5.198 1.303 ( -2.006 4.569 1.327) 5.164 1.341 ( -0.012 1.612 -0.152) 1.619 1.377 ( -0.518 0.888 -1.730) 2.013 1.438 ( 3.282 0.437 0.043) 3.311 1.458 ( 1.271 1.199 -0.687) 1.878 1.533 ( 1.361 4.494 2.069) 5.131 1.547 ( 1.964 0.347 -2.614) 3.289 1.611 ( -3.313 4.188 1.457) 5.535 1.657 ( -1.880 -1.949 1.536) 3.114 1.725 ( -1.336 -2.487 -1.007) 2.997 1.770 ( -2.212 -1.874 3.555) 4.587 1.795 ( 2.440 3.457 -0.578) 4.271 1.891 ( 0.123 -0.073 0.185) 0.233 1.924 ( -1.264 1.073 -1.295) 2.103 2.021 ( -0.626 4.689 3.134) 5.674 2.037 ( -0.572 2.127 -0.051) 2.203 2.156 ( -0.654 3.371 -2.105) 4.027 2.201 ( -1.306 1.830 -2.128) 3.096 2.456 ( 1.045 -0.475 -0.166) 1.160 2.559 ( 1.054 -1.059 -0.897) 1.743 2.605 ( -1.813 -0.675 -0.340) 1.964 2.689 ( -0.364 -2.534 2.988) 3.934 2.754 ( 1.910 -4.373 2.601) 5.435 2.784 ( -1.917 -6.788 -1.574) 7.227 2.841 ( -0.920 -4.459 -0.977) 4.657 2.875 ( -1.139 -2.541 -0.776) 2.890 3.058 ( 1.441 1.634 0.676) 2.281 3.088 ( 0.264 0.402 -0.792) 0.926 3.195 ( -1.037 1.805 -0.554) 2.154 3.220 ( -0.265 1.036 1.465) 1.814 3.226 ( -1.608 0.764 -0.420) 1.830 3.348 ( -1.491 0.994 0.390) 1.833 3.397 ( -0.252 0.430 0.984) 1.103 3.556 ( 0.761 -0.376 0.613) 1.047 3.858 ( -3.792 -1.305 -3.383) 5.247 3.967 ( 0.140 -0.381 -0.531) 0.668 3.994 ( 0.919 -2.083 2.029) 3.050 4.051 ( 2.041 0.365 -0.803) 2.224 4.339 ( -3.006 -1.287 -0.532) 3.313 4.385 ( -1.451 -1.203 1.586) 2.463 4.707 ( 1.220 -0.805 -1.077) 1.816 4.840 ( 2.977 -2.332 1.245) 3.981 5.312 ( -1.607 6.593 -0.542) 6.808 5.358 ( -1.806 6.836 -0.142) 7.072 5.382 ( -0.154 3.896 0.514) 3.932 5.437 ( -1.693 2.977 -0.495) 3.460 6.675 ( -0.080 0.541 0.578) 0.796 6.705 ( -0.140 0.775 -0.568) 0.971 6.741 ( -0.233 0.221 1.714) 1.743 6.822 ( -0.443 -0.493 -1.547) 1.682 7.112 ( 0.566 -0.267 0.011) 0.626 7.117 ( 0.354 -0.378 -0.052) 0.521 ======================= Grid point 80 (38/75) ======================= q-point: ( 0.43 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 8.074 6.858 1.102) 10.650 0.846 ( 5.779 6.441 2.979) 9.152 0.889 ( -0.741 6.104 -0.529) 6.171 1.027 ( 6.267 4.010 -0.455) 7.454 1.069 ( 3.890 3.756 -0.534) 5.434 1.083 ( -3.186 0.162 -3.109) 4.454 1.158 ( -2.455 1.315 0.288) 2.800 1.221 ( -2.288 2.754 1.292) 3.806 1.268 ( -3.144 3.854 0.248) 4.980 1.316 ( 1.373 -0.948 -0.024) 1.668 1.385 ( 0.597 -0.468 -3.047) 3.140 1.427 ( -1.666 2.033 -2.717) 3.780 1.486 ( -3.028 -1.821 -1.501) 3.839 1.526 ( 2.673 -2.100 -1.214) 3.610 1.591 ( 0.130 3.058 0.868) 3.181 1.605 ( -1.450 1.376 1.257) 2.362 1.636 ( 0.078 -0.858 -2.194) 2.357 1.689 ( -1.964 0.329 1.505) 2.496 1.764 ( 1.319 1.294 2.735) 3.301 1.832 ( 1.891 1.218 1.136) 2.520 1.846 ( -4.741 1.812 -1.062) 5.186 1.884 ( -1.019 -1.970 0.979) 2.424 2.007 ( -1.466 4.471 0.967) 4.803 2.059 ( 2.706 2.694 1.452) 4.086 2.164 ( -1.097 4.267 -0.586) 4.444 2.174 ( 1.490 2.805 -2.650) 4.137 2.490 ( 2.034 -0.022 0.665) 2.140 2.543 ( -1.538 0.882 -0.510) 1.845 2.603 ( 1.386 -0.837 -1.104) 1.960 2.664 ( -2.280 -2.219 -0.753) 3.270 2.741 ( -1.135 -5.150 -0.111) 5.274 2.766 ( -1.812 -5.693 0.913) 6.044 2.849 ( 1.354 -3.544 -0.289) 3.805 2.858 ( -0.233 -3.770 0.073) 3.778 3.064 ( -0.024 1.161 0.232) 1.185 3.117 ( 1.917 1.566 0.981) 2.662 3.181 ( -0.308 1.229 -0.506) 1.364 3.192 ( -2.124 -0.818 -1.811) 2.908 3.230 ( 0.847 2.192 3.285) 4.039 3.321 ( -0.184 -0.402 0.735) 0.858 3.409 ( 0.285 1.394 2.327) 2.728 3.546 ( -1.270 -0.575 -2.093) 2.515 3.821 ( 0.364 -0.551 -0.541) 0.854 3.946 ( -1.923 -0.611 -2.259) 3.029 4.019 ( 1.342 -1.840 2.230) 3.188 4.089 ( 1.331 -0.138 -0.640) 1.483 4.295 ( -0.954 -0.600 0.020) 1.127 4.355 ( -1.658 -0.296 0.668) 1.812 4.740 ( 2.075 -0.358 0.455) 2.155 4.864 ( -0.640 -1.810 -1.007) 2.168 5.296 ( 0.066 6.305 -0.142) 6.307 5.326 ( -1.298 7.098 -0.143) 7.217 5.381 ( 0.052 3.949 0.033) 3.949 5.406 ( -1.305 4.275 -0.390) 4.487 6.675 ( -0.006 0.508 0.504) 0.715 6.701 ( -0.164 0.779 -0.656) 1.031 6.742 ( -0.013 0.186 1.713) 1.723 6.815 ( -0.089 -0.474 -1.341) 1.425 7.120 ( 0.272 -0.338 -0.043) 0.436 7.122 ( 0.112 -0.364 -0.027) 0.382 ======================= Grid point 81 (39/75) ======================= q-point: (-0.43 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -1.579 7.882 1.688) 8.214 0.862 ( -0.418 8.096 -0.839) 8.150 0.935 ( 0.136 2.353 1.720) 2.918 1.007 ( -2.168 3.846 1.242) 4.586 1.068 ( -3.244 2.872 -1.593) 4.616 1.123 ( -0.147 3.371 1.356) 3.637 1.168 ( -1.900 2.887 -0.745) 3.535 1.194 ( 7.030 0.150 -1.363) 7.163 1.269 ( 3.214 6.621 -1.789) 7.574 1.319 ( -1.889 -1.785 0.626) 2.673 1.375 ( -0.995 -0.573 -3.709) 3.883 1.412 ( 1.411 0.507 -1.599) 2.192 1.460 ( -0.182 -1.444 -1.237) 1.910 1.509 ( -5.302 -2.682 -0.434) 5.958 1.542 ( -1.753 0.440 0.180) 1.816 1.581 ( -0.029 4.889 1.877) 5.237 1.654 ( 0.920 -2.477 -2.861) 3.894 1.687 ( 1.733 2.346 0.092) 2.918 1.731 ( -1.983 -1.823 2.861) 3.929 1.842 ( 2.124 2.439 1.529) 3.578 1.857 ( 0.618 0.081 0.472) 0.782 1.900 ( 1.712 0.446 0.859) 1.967 1.983 ( -0.810 3.567 1.409) 3.920 2.103 ( 0.370 4.600 1.834) 4.966 2.130 ( -1.079 1.882 -3.412) 4.043 2.210 ( 1.559 4.327 -1.156) 4.742 2.479 ( -2.181 0.067 0.642) 2.275 2.570 ( 2.733 0.039 -0.231) 2.743 2.612 ( -2.520 -2.749 -2.229) 4.345 2.632 ( 1.792 -0.651 -0.431) 1.955 2.687 ( -3.437 -4.423 1.089) 5.706 2.786 ( 3.192 -5.813 0.519) 6.653 2.846 ( -0.663 -3.913 -0.193) 3.974 2.873 ( 0.692 -1.942 -0.186) 2.070 3.087 ( 1.674 -0.096 1.780) 2.446 3.124 ( -1.247 1.636 1.091) 2.328 3.137 ( -2.119 -0.302 -2.913) 3.615 3.189 ( 0.893 1.248 -0.792) 1.727 3.261 ( 1.158 0.866 3.443) 3.735 3.352 ( 3.189 0.440 0.547) 3.265 3.411 ( -0.256 1.063 2.938) 3.135 3.511 ( -1.771 -0.328 -3.010) 3.508 3.866 ( 3.905 -0.700 1.506) 4.244 3.895 ( -2.671 -0.083 -3.787) 4.635 4.044 ( 0.549 -1.595 1.893) 2.535 4.086 ( -1.262 -1.294 -0.874) 2.007 4.309 ( 2.004 0.204 1.327) 2.412 4.336 ( -0.120 0.315 -0.566) 0.658 4.772 ( -0.079 -0.745 1.570) 1.739 4.824 ( -2.029 -0.908 -2.134) 3.081 5.300 ( 0.077 6.144 0.022) 6.144 5.323 ( 1.115 6.579 -0.290) 6.679 5.383 ( -0.063 3.912 0.057) 3.913 5.395 ( 0.533 4.927 -0.399) 4.972 6.676 ( 0.081 0.393 0.586) 0.710 6.698 ( -0.033 0.898 -0.652) 1.110 6.745 ( 0.052 0.131 1.665) 1.671 6.814 ( 0.287 -0.511 -1.382) 1.502 7.120 ( -0.222 -0.338 -0.050) 0.407 7.121 ( -0.192 -0.344 -0.020) 0.395 ======================= Grid point 82 (40/75) ======================= q-point: (-0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -5.522 9.926 2.474) 11.625 0.744 ( -10.750 8.588 -7.186) 15.523 0.860 ( -4.305 3.839 -6.551) 8.729 0.995 ( 1.662 3.967 6.761) 8.014 1.063 ( -0.879 1.957 -5.638) 6.032 1.107 ( -0.448 2.353 0.707) 2.497 1.165 ( 2.249 3.825 1.982) 4.860 1.242 ( -2.669 -1.428 0.287) 3.040 1.319 ( -0.052 7.611 0.437) 7.624 1.336 ( -0.046 0.953 0.504) 1.079 1.367 ( 4.590 0.934 2.058) 5.116 1.413 ( -2.874 -3.160 0.409) 4.292 1.431 ( 0.445 0.308 -2.459) 2.518 1.470 ( 2.166 -1.404 -4.970) 5.601 1.519 ( -0.183 4.427 3.012) 5.358 1.624 ( 2.433 -0.347 0.904) 2.619 1.657 ( 0.574 -1.352 0.932) 1.739 1.729 ( 1.198 -0.208 0.687) 1.397 1.760 ( 3.388 -2.450 1.993) 4.632 1.819 ( -2.603 3.425 -1.947) 4.722 1.898 ( -0.683 2.071 0.698) 2.290 1.926 ( 3.132 3.894 1.693) 5.277 1.981 ( -0.377 1.311 0.949) 1.662 2.067 ( -2.659 3.895 0.482) 4.741 2.125 ( 0.739 0.377 -3.883) 3.970 2.229 ( 0.659 4.848 -0.724) 4.946 2.443 ( -1.300 -1.024 -0.160) 1.663 2.564 ( -1.969 -3.023 -1.317) 3.841 2.603 ( 0.922 -2.056 0.161) 2.259 2.628 ( -1.238 -2.934 1.730) 3.624 2.696 ( 2.177 -1.507 2.108) 3.384 2.824 ( -0.429 -4.234 -0.836) 4.337 2.849 ( 2.351 -5.973 -0.235) 6.424 2.890 ( 0.880 -1.668 -0.210) 1.897 3.076 ( -1.830 1.287 -0.530) 2.299 3.096 ( -0.961 0.231 -0.337) 1.044 3.152 ( 1.786 -0.046 1.403) 2.272 3.198 ( 0.499 2.767 -1.101) 3.019 3.287 ( 1.431 0.625 0.555) 1.657 3.407 ( -0.806 0.044 2.030) 2.185 3.418 ( 2.451 0.133 -0.889) 2.611 3.495 ( 1.382 0.570 1.028) 1.814 3.834 ( -2.579 -0.113 -3.442) 4.303 3.962 ( 4.879 -0.795 1.080) 5.060 4.035 ( -1.751 -0.350 0.279) 1.807 4.055 ( -1.335 -1.674 -0.677) 2.246 4.341 ( 1.284 0.147 -0.592) 1.422 4.368 ( 2.785 -0.191 1.653) 3.244 4.717 ( -3.641 -0.134 -1.591) 3.976 4.814 ( -0.574 -1.861 1.770) 2.632 5.314 ( 1.507 6.070 -0.438) 6.270 5.345 ( 0.985 5.164 -0.160) 5.259 5.388 ( 0.675 4.811 0.437) 4.878 5.416 ( 1.524 4.505 -0.445) 4.777 6.679 ( 0.023 0.215 0.769) 0.799 6.698 ( 0.172 1.016 -0.587) 1.186 6.749 ( 0.007 0.159 1.608) 1.616 6.822 ( 0.774 -0.638 -1.623) 1.908 7.113 ( -0.533 -0.303 0.054) 0.616 7.115 ( -0.370 -0.304 -0.094) 0.488 ======================= Grid point 83 (41/75) ======================= q-point: (-0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -7.896 8.885 -3.570) 12.411 0.652 ( -2.519 13.016 -0.220) 13.259 0.810 ( -0.117 5.876 -6.667) 8.887 0.987 ( -3.116 2.081 -0.238) 3.755 1.082 ( 0.683 2.993 2.057) 3.696 1.091 ( 0.940 5.017 0.581) 5.137 1.179 ( -2.024 -0.877 -0.553) 2.274 1.207 ( -0.568 1.120 -0.599) 1.392 1.274 ( -0.683 7.574 2.804) 8.105 1.360 ( -1.507 -0.644 -2.465) 2.960 1.388 ( 0.851 -0.708 -0.512) 1.219 1.420 ( -0.220 -1.929 -1.717) 2.592 1.436 ( 1.603 0.168 3.776) 4.105 1.529 ( 3.000 3.909 1.237) 5.080 1.560 ( 3.560 -1.225 0.551) 3.805 1.652 ( -0.526 2.757 -3.415) 4.420 1.671 ( 1.446 -1.110 2.160) 2.826 1.727 ( -1.580 3.573 -2.271) 4.519 1.750 ( -0.584 -0.083 -0.480) 0.761 1.822 ( -0.260 2.693 0.859) 2.839 1.879 ( -0.580 0.802 1.916) 2.156 1.934 ( -1.702 3.203 -0.287) 3.639 2.005 ( 2.725 0.045 0.643) 2.800 2.042 ( -0.678 3.175 2.975) 4.403 2.152 ( 2.442 0.762 -2.284) 3.429 2.233 ( -0.166 4.516 -1.223) 4.682 2.438 ( 0.740 -2.407 0.008) 2.518 2.538 ( -0.799 -3.733 -0.867) 3.915 2.607 ( -1.192 -4.432 1.859) 4.952 2.620 ( 0.262 -3.599 4.595) 5.843 2.709 ( -0.197 -0.373 0.271) 0.501 2.839 ( 0.833 -4.945 1.090) 5.132 2.881 ( 0.716 -5.356 -1.246) 5.546 2.903 ( 1.415 -2.948 -1.764) 3.715 3.037 ( -1.694 2.286 -0.833) 2.965 3.093 ( 0.133 0.084 -0.182) 0.241 3.173 ( 0.434 0.337 0.946) 1.094 3.215 ( 1.180 3.629 0.122) 3.818 3.312 ( 1.038 0.423 -1.193) 1.637 3.387 ( -1.247 0.060 0.593) 1.382 3.447 ( 1.423 0.835 -2.365) 2.883 3.541 ( 1.394 -0.651 2.117) 2.617 3.802 ( 0.233 0.359 0.540) 0.689 3.982 ( -2.461 1.334 -0.619) 2.867 4.009 ( -0.471 -1.505 -2.186) 2.696 4.071 ( 2.416 -2.079 -0.068) 3.188 4.375 ( 2.163 -0.251 0.485) 2.231 4.408 ( 0.884 -0.921 1.250) 1.787 4.668 ( -0.921 -0.281 -0.349) 1.024 4.786 ( -2.466 -2.403 1.131) 3.624 5.349 ( 1.699 5.194 -0.496) 5.488 5.364 ( 1.291 5.235 0.556) 5.420 5.400 ( 0.173 5.076 0.555) 5.110 5.446 ( 1.552 3.048 -0.970) 3.555 6.679 ( -0.123 0.183 0.958) 0.983 6.702 ( 0.276 1.028 -0.536) 1.192 6.750 ( -0.127 0.219 1.610) 1.630 6.837 ( 0.942 -1.108 -2.052) 2.516 7.103 ( -0.479 -0.227 0.157) 0.553 7.108 ( -0.254 -0.311 -0.177) 0.438 ======================= Grid point 84 (42/75) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 4.411 8.654 3.975) 10.495 0.824 ( 0.274 6.838 -3.729) 7.793 0.954 ( 0.275 3.958 -0.416) 3.990 0.958 ( -0.573 5.603 -2.182) 6.040 1.072 ( 1.355 -1.939 1.463) 2.781 1.099 ( -0.803 -2.602 -3.218) 4.215 1.142 ( -3.258 -0.323 -2.687) 4.235 1.222 ( -2.380 -2.251 -2.384) 4.052 1.297 ( 0.852 0.996 0.708) 1.490 1.353 ( -0.509 -1.755 0.407) 1.872 1.407 ( 0.808 1.683 1.810) 2.600 1.442 ( 2.455 2.137 -2.876) 4.344 1.497 ( -1.123 3.411 5.472) 6.545 1.592 ( 2.219 -0.254 -0.512) 2.292 1.607 ( -3.068 1.645 1.079) 3.645 1.629 ( 1.060 0.724 0.294) 1.316 1.736 ( 0.121 1.041 -0.298) 1.090 1.748 ( 0.297 0.572 2.399) 2.484 1.796 ( -0.629 2.608 -0.927) 2.839 1.818 ( -1.336 1.161 -1.140) 2.106 1.929 ( 0.257 3.205 -0.812) 3.317 1.954 ( 0.015 1.914 -1.747) 2.591 2.025 ( 0.064 2.529 2.941) 3.879 2.157 ( 0.774 3.390 -2.775) 4.448 2.196 ( 2.356 -1.612 0.723) 2.945 2.257 ( -1.392 -0.037 -0.990) 1.709 2.408 ( 0.740 -1.997 2.110) 2.998 2.483 ( 0.176 -6.005 7.269) 9.430 2.499 ( -0.812 3.015 -1.460) 3.446 2.622 ( 1.391 1.038 2.858) 3.344 2.680 ( -0.909 -1.164 -1.108) 1.846 2.758 ( 0.699 -5.280 -1.808) 5.624 2.789 ( -0.691 -2.982 -0.112) 3.063 2.841 ( 0.803 -4.972 -1.404) 5.228 3.075 ( -0.582 3.415 -0.350) 3.482 3.119 ( -0.736 2.283 -1.475) 2.816 3.219 ( 0.563 2.951 1.690) 3.447 3.271 ( 0.052 0.785 -0.103) 0.793 3.359 ( 1.159 1.736 -0.163) 2.094 3.368 ( -1.778 0.850 -0.123) 1.974 3.451 ( 1.178 -2.132 -0.666) 2.525 3.486 ( -1.972 -3.341 -0.603) 3.927 3.850 ( 2.861 0.794 3.761) 4.791 3.961 ( 0.763 -3.137 -0.122) 3.231 3.984 ( -1.339 1.976 -1.819) 3.001 4.037 ( -2.543 -1.227 -3.318) 4.357 4.390 ( 0.729 -0.418 0.798) 1.159 4.407 ( -0.014 -0.340 0.257) 0.427 4.667 ( 1.350 -0.689 0.261) 1.538 4.694 ( -1.663 -2.054 -0.476) 2.685 5.415 ( 0.447 1.074 1.063) 1.576 5.441 ( 0.450 -0.331 0.522) 0.765 5.491 ( 0.129 4.367 -0.222) 4.374 5.510 ( -0.525 3.357 -0.533) 3.439 6.696 ( -0.064 1.476 0.729) 1.648 6.725 ( 0.101 0.718 -0.524) 0.895 6.757 ( -0.196 0.831 1.014) 1.325 6.816 ( 0.145 -1.670 -1.404) 2.187 7.095 ( -0.023 -0.062 0.083) 0.106 7.100 ( 0.026 -0.300 -0.113) 0.321 ======================= Grid point 85 (43/75) ======================= q-point: ( 0.14 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.936 7.637 -3.745) 8.557 0.847 ( 1.157 7.804 -1.915) 8.119 0.925 ( 2.067 6.913 -0.880) 7.269 0.989 ( 1.655 6.418 -3.090) 7.312 1.060 ( -3.354 -2.020 -1.858) 4.334 1.095 ( 1.462 -1.264 1.159) 2.253 1.132 ( 2.441 -2.914 0.380) 3.820 1.215 ( 1.587 -5.446 -1.165) 5.790 1.318 ( 1.190 0.460 0.129) 1.283 1.346 ( 0.460 -0.334 0.338) 0.661 1.422 ( 0.255 2.867 2.096) 3.560 1.455 ( -2.793 3.206 1.720) 4.587 1.492 ( 1.404 0.566 -3.398) 3.720 1.547 ( -1.267 4.655 2.277) 5.335 1.625 ( 0.065 -1.304 0.483) 1.392 1.657 ( -0.628 1.602 3.481) 3.883 1.699 ( -1.324 -1.193 -1.773) 2.514 1.730 ( -3.196 -3.619 3.451) 5.935 1.761 ( -1.342 4.346 0.595) 4.587 1.818 ( 1.195 2.699 -2.521) 3.882 1.927 ( -0.775 2.344 -0.963) 2.650 1.964 ( 0.594 1.391 -0.984) 1.804 2.040 ( 1.204 3.087 1.994) 3.867 2.149 ( -0.721 3.260 -2.248) 4.025 2.225 ( -0.566 -0.317 -0.962) 1.160 2.227 ( -0.641 0.322 -0.590) 0.929 2.450 ( 2.575 -0.147 1.946) 3.231 2.473 ( 0.536 -1.356 0.203) 1.472 2.543 ( 2.446 -3.046 6.756) 7.804 2.652 ( 1.226 -1.251 2.178) 2.795 2.660 ( -0.755 -0.817 -1.336) 1.738 2.734 ( -2.157 -5.070 -3.772) 6.677 2.793 ( -0.068 -1.845 -0.032) 1.846 2.842 ( -0.210 -3.391 -1.613) 3.761 3.076 ( 0.503 2.225 0.566) 2.351 3.103 ( -0.105 2.214 -1.005) 2.434 3.226 ( -0.171 2.014 1.772) 2.688 3.263 ( -0.906 1.415 -0.730) 1.832 3.318 ( -2.747 2.045 -0.482) 3.459 3.375 ( 0.185 0.535 0.614) 0.835 3.427 ( -2.838 -1.105 -1.413) 3.357 3.487 ( 1.729 -3.183 1.005) 3.759 3.902 ( 0.000 -0.597 2.074) 2.158 3.958 ( -2.433 -1.929 -2.062) 3.727 3.961 ( -0.343 0.589 -1.531) 1.676 4.001 ( 2.234 -0.913 0.332) 2.436 4.382 ( -2.153 0.211 -0.434) 2.206 4.395 ( -0.833 -0.273 0.554) 1.037 4.680 ( 0.537 -0.549 -0.893) 1.178 4.721 ( 3.620 -2.315 0.958) 4.402 5.418 ( -0.412 1.180 0.581) 1.378 5.441 ( -0.380 0.939 0.315) 1.061 5.486 ( -0.918 2.866 -0.273) 3.021 5.494 ( -0.803 3.862 -0.133) 3.947 6.696 ( -0.090 1.482 0.677) 1.632 6.725 ( -0.093 0.598 -0.513) 0.793 6.754 ( -0.262 0.950 0.984) 1.392 6.813 ( -0.185 -1.482 -1.293) 1.976 7.099 ( 0.381 -0.076 0.055) 0.393 7.103 ( 0.327 -0.306 -0.079) 0.454 ======================= Grid point 86 (44/75) ======================= q-point: ( 0.29 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 2.379 9.052 -5.779) 11.000 0.879 ( 2.689 6.233 0.386) 6.800 0.987 ( 0.709 4.301 -1.922) 4.764 1.027 ( 3.753 4.644 -4.081) 7.232 1.042 ( 3.369 -1.157 1.087) 3.724 1.132 ( 1.648 -0.497 0.757) 1.880 1.152 ( -0.310 -0.998 -1.795) 2.077 1.231 ( -0.733 -0.944 -0.549) 1.315 1.329 ( -0.133 -0.232 0.870) 0.910 1.386 ( 2.615 -0.675 1.432) 3.057 1.392 ( -1.604 1.978 2.272) 3.413 1.434 ( -1.537 2.335 -1.134) 3.017 1.500 ( 0.165 1.929 -2.352) 3.046 1.528 ( -2.313 -1.553 -3.028) 4.115 1.596 ( -0.616 2.462 2.082) 3.282 1.618 ( -2.267 -1.299 3.492) 4.361 1.667 ( -3.132 -2.268 2.027) 4.365 1.716 ( -0.347 -3.199 2.356) 3.988 1.771 ( 2.772 7.352 2.004) 8.109 1.832 ( 0.443 0.542 -2.714) 2.803 1.904 ( -1.283 1.632 0.992) 2.301 1.954 ( -1.521 1.205 -1.315) 2.344 2.068 ( 1.328 3.564 -0.211) 3.810 2.132 ( -1.013 4.268 -0.781) 4.456 2.195 ( -0.835 1.085 -1.529) 2.053 2.225 ( -0.100 -0.264 0.485) 0.561 2.480 ( 1.506 2.472 0.353) 2.916 2.524 ( 3.040 -2.137 0.877) 3.818 2.576 ( -0.033 -1.952 1.988) 2.787 2.649 ( -0.355 -1.405 0.514) 1.538 2.676 ( -0.563 -3.602 -0.266) 3.655 2.688 ( -0.637 -3.482 -0.131) 3.542 2.773 ( -1.152 -2.015 -1.695) 2.875 2.825 ( -1.397 -2.885 -1.880) 3.716 3.093 ( 1.110 2.186 1.046) 2.666 3.117 ( 1.249 1.973 -0.040) 2.335 3.221 ( -0.531 0.924 0.824) 1.347 3.239 ( -1.175 2.327 -0.404) 2.638 3.278 ( -1.217 2.974 0.845) 3.323 3.341 ( -3.019 -1.209 -0.135) 3.255 3.409 ( 0.623 0.475 0.695) 1.047 3.511 ( 0.331 -4.022 0.252) 4.043 3.845 ( -2.931 0.170 -2.137) 3.632 3.933 ( -0.916 -3.406 -0.543) 3.569 3.982 ( 1.224 1.346 1.555) 2.394 4.053 ( 2.428 -0.649 0.361) 2.539 4.330 ( -2.568 0.495 -0.668) 2.700 4.371 ( -1.543 -0.827 0.471) 1.813 4.707 ( 2.069 0.818 -0.559) 2.294 4.790 ( 2.998 -2.927 0.620) 4.236 5.404 ( -0.769 2.725 -0.504) 2.876 5.435 ( -0.214 1.456 0.508) 1.557 5.458 ( -1.523 3.447 -0.886) 3.872 5.477 ( -1.121 2.332 0.728) 2.688 6.695 ( -0.093 1.452 0.586) 1.568 6.721 ( -0.173 0.596 -0.459) 0.772 6.751 ( -0.177 0.966 0.941) 1.360 6.807 ( -0.243 -1.190 -1.136) 1.663 7.108 ( 0.482 -0.145 0.011) 0.504 7.110 ( 0.371 -0.282 -0.032) 0.467 ======================= Grid point 87 (45/75) ======================= q-point: ( 0.43 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 7.879 7.908 1.140) 11.221 0.936 ( 2.520 4.100 1.246) 4.971 1.000 ( 1.066 3.335 -1.260) 3.721 1.083 ( 0.613 1.283 -4.324) 4.552 1.111 ( 3.859 3.360 -1.434) 5.314 1.139 ( 1.691 2.427 1.110) 3.160 1.190 ( 2.466 -2.594 1.448) 3.861 1.200 ( -1.340 2.368 1.291) 3.012 1.326 ( -1.074 0.146 1.436) 1.799 1.339 ( -2.622 2.424 2.381) 4.291 1.390 ( -0.831 2.299 -3.021) 3.886 1.441 ( -3.536 -2.339 -4.776) 6.387 1.457 ( -0.037 -1.294 -2.427) 2.751 1.497 ( 0.557 0.967 -1.309) 1.720 1.550 ( -4.333 -3.618 1.754) 5.911 1.614 ( -2.050 -0.154 1.262) 2.412 1.644 ( 2.500 0.718 1.303) 2.909 1.677 ( -3.214 -2.622 -0.171) 4.151 1.837 ( 1.903 2.918 0.433) 3.511 1.850 ( 2.766 1.885 0.897) 3.465 1.881 ( -1.652 1.636 1.155) 2.596 1.899 ( -3.189 2.758 -0.827) 4.297 2.075 ( -1.117 3.411 -0.980) 3.720 2.128 ( 1.194 3.036 -0.940) 3.395 2.186 ( 0.273 1.043 0.824) 1.357 2.241 ( 1.357 1.416 1.549) 2.499 2.514 ( 1.404 2.234 0.486) 2.683 2.558 ( -0.105 0.496 -0.801) 0.948 2.578 ( 1.129 -1.358 -0.049) 1.767 2.626 ( -1.884 -1.851 -0.368) 2.667 2.656 ( -0.102 -3.091 -0.988) 3.247 2.677 ( -1.859 -3.199 0.901) 3.808 2.781 ( 2.021 -3.369 -0.125) 3.931 2.795 ( -0.957 -3.112 -0.785) 3.349 3.101 ( -0.337 2.707 -0.062) 2.728 3.151 ( 1.761 1.483 0.927) 2.482 3.193 ( -2.119 1.155 -1.893) 3.067 3.224 ( -0.616 2.416 0.394) 2.524 3.280 ( 0.134 2.749 2.839) 3.954 3.302 ( 0.161 -1.171 0.659) 1.354 3.422 ( 0.312 -0.072 1.220) 1.262 3.502 ( -0.949 -3.801 -1.397) 4.159 3.818 ( 0.414 0.543 0.115) 0.693 3.917 ( -0.814 -3.017 -0.680) 3.198 3.995 ( 0.199 0.537 0.862) 1.035 4.079 ( 0.059 -1.409 -1.242) 1.879 4.300 ( -0.209 1.059 0.483) 1.182 4.348 ( -0.821 -0.701 0.553) 1.213 4.746 ( 1.820 1.041 0.361) 2.128 4.823 ( 0.273 -2.467 -0.647) 2.565 5.396 ( 0.041 3.841 -0.392) 3.861 5.428 ( -1.302 3.431 -0.971) 3.796 5.438 ( 0.416 2.027 0.463) 2.121 5.456 ( -1.078 1.544 0.378) 1.920 6.695 ( -0.063 1.415 0.526) 1.511 6.718 ( -0.077 0.705 -0.418) 0.823 6.751 ( -0.044 0.859 0.935) 1.271 6.802 ( -0.074 -1.022 -1.062) 1.475 7.115 ( 0.221 -0.215 -0.017) 0.309 7.116 ( 0.139 -0.247 -0.014) 0.284 ======================= Grid point 88 (46/75) ======================= q-point: (-0.43 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.905 6.876 0.544) 6.956 0.982 ( 1.442 2.659 2.092) 3.678 1.001 ( 0.741 6.155 -2.072) 6.537 1.083 ( -1.235 4.962 -0.634) 5.153 1.110 ( -4.887 1.447 -2.374) 5.622 1.183 ( -0.185 2.136 2.883) 3.593 1.214 ( 0.528 1.682 2.400) 2.978 1.222 ( 6.252 1.744 -1.384) 6.637 1.294 ( -2.710 -1.181 -0.545) 3.006 1.336 ( -1.015 -0.813 -2.383) 2.715 1.347 ( -2.220 0.478 -3.894) 4.508 1.386 ( 2.415 -4.226 1.916) 5.231 1.451 ( -1.073 0.030 -0.019) 1.074 1.473 ( -1.823 1.847 -0.846) 2.729 1.529 ( 2.221 -2.872 -0.287) 3.642 1.589 ( -1.177 -2.263 -3.461) 4.299 1.622 ( 0.255 -0.061 1.500) 1.522 1.703 ( 2.372 -0.939 1.873) 3.165 1.793 ( -4.806 6.011 -0.064) 7.697 1.866 ( 0.390 1.649 1.075) 2.006 1.893 ( 2.346 1.406 1.656) 3.197 1.923 ( 2.982 0.993 0.125) 3.146 2.050 ( -1.078 3.681 -0.265) 3.845 2.126 ( -0.625 -0.566 -3.856) 3.947 2.206 ( -0.192 4.147 2.897) 5.062 2.270 ( 1.441 1.362 1.039) 2.238 2.502 ( -2.217 1.991 0.435) 3.012 2.564 ( -0.127 -0.762 -0.297) 0.828 2.575 ( -2.255 -0.458 -1.392) 2.690 2.600 ( 0.211 -2.538 0.563) 2.608 2.632 ( -0.984 -0.677 -0.855) 1.469 2.690 ( 2.852 -4.040 0.291) 4.954 2.784 ( -0.114 -2.555 -0.044) 2.558 2.825 ( 1.690 -3.176 -0.525) 3.636 3.098 ( -0.090 1.566 0.726) 1.728 3.137 ( -1.193 0.663 -1.427) 1.975 3.180 ( -0.532 3.331 0.474) 3.407 3.223 ( 1.009 1.871 -0.311) 2.149 3.282 ( 0.484 1.183 2.261) 2.597 3.347 ( 3.009 -1.048 1.514) 3.527 3.420 ( -0.622 0.038 1.243) 1.390 3.479 ( -0.861 -2.729 -1.837) 3.401 3.851 ( 1.645 -0.279 1.003) 1.946 3.897 ( -0.176 -0.075 -2.067) 2.076 4.005 ( 0.521 -1.827 1.730) 2.570 4.056 ( -1.626 -2.038 -1.582) 3.050 4.322 ( 1.997 0.970 1.358) 2.602 4.341 ( 0.092 0.150 -0.399) 0.436 4.766 ( -0.425 0.143 1.099) 1.187 4.802 ( -1.780 -1.416 -1.385) 2.662 5.396 ( -0.299 3.380 -0.277) 3.404 5.412 ( -0.127 3.146 -0.547) 3.196 5.445 ( 0.197 2.033 -0.047) 2.043 5.457 ( 1.397 2.336 0.357) 2.746 6.695 ( -0.018 1.377 0.535) 1.478 6.717 ( 0.084 0.826 -0.415) 0.928 6.752 ( 0.054 0.742 0.960) 1.215 6.801 ( 0.191 -1.011 -1.099) 1.506 7.115 ( -0.203 -0.218 -0.019) 0.298 7.115 ( -0.173 -0.238 -0.011) 0.295 ======================= Grid point 89 (47/75) ======================= q-point: (-0.29 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -11.326 6.875 -4.330) 13.939 0.903 ( -3.698 6.827 -2.375) 8.119 0.951 ( -1.381 5.124 -3.809) 6.532 1.040 ( -1.529 0.288 -0.335) 1.591 1.100 ( -1.105 1.866 -2.463) 3.281 1.165 ( -0.342 4.382 1.719) 4.720 1.197 ( -2.039 -2.625 -0.506) 3.362 1.254 ( -0.202 4.142 1.956) 4.585 1.309 ( 0.063 -4.947 -0.447) 4.968 1.317 ( 1.905 -2.089 2.072) 3.505 1.370 ( 2.163 -2.412 -2.624) 4.169 1.399 ( 0.431 0.341 1.765) 1.848 1.436 ( -0.195 3.223 1.524) 3.570 1.498 ( 2.904 2.932 -2.762) 4.965 1.586 ( 3.102 -0.983 -0.371) 3.275 1.615 ( 4.723 -2.258 2.108) 5.643 1.647 ( -0.827 -0.622 3.290) 3.449 1.720 ( -0.574 6.703 0.936) 6.793 1.756 ( 2.230 -1.535 0.962) 2.873 1.870 ( -0.714 2.443 -0.877) 2.692 1.923 ( 0.862 0.415 0.324) 1.011 1.979 ( 1.887 -0.180 -0.327) 1.924 2.031 ( -0.719 4.045 0.660) 4.161 2.117 ( 0.591 -0.506 -2.272) 2.401 2.168 ( -3.019 5.885 -1.007) 6.691 2.292 ( 0.412 0.786 0.674) 1.114 2.453 ( -2.597 1.508 0.518) 3.048 2.514 ( -3.195 -2.427 1.938) 4.456 2.558 ( -0.622 -1.335 -0.355) 1.515 2.587 ( -0.324 0.043 0.495) 0.593 2.669 ( 2.690 -1.791 0.803) 3.330 2.743 ( 2.211 -3.874 -0.168) 4.464 2.769 ( -1.050 -2.569 -1.947) 3.390 2.839 ( -0.017 -3.842 -1.713) 4.207 3.092 ( 0.169 1.798 0.766) 1.962 3.140 ( -0.699 1.784 0.504) 1.981 3.173 ( 1.130 2.915 0.262) 3.138 3.248 ( 1.240 2.191 0.038) 2.518 3.304 ( 1.304 0.880 0.425) 1.630 3.397 ( 0.807 -1.789 1.610) 2.539 3.408 ( 0.332 -0.209 -1.346) 1.402 3.478 ( 1.020 -2.278 0.912) 2.657 3.831 ( -1.745 0.858 -2.120) 2.877 3.945 ( 2.834 -1.880 0.001) 3.401 4.012 ( 0.433 -1.419 1.044) 1.814 4.032 ( -0.609 -0.728 0.256) 0.983 4.346 ( 0.640 0.485 -1.057) 1.328 4.368 ( 2.103 -0.123 0.861) 2.276 4.721 ( -3.202 0.578 -0.953) 3.390 4.775 ( -1.559 -2.157 1.002) 2.844 5.393 ( 0.248 2.185 -0.477) 2.251 5.413 ( 0.260 1.953 0.210) 1.982 5.461 ( 1.264 3.228 -0.197) 3.472 5.488 ( 1.530 2.837 0.318) 3.239 6.695 ( -0.007 1.374 0.607) 1.502 6.719 ( 0.206 0.881 -0.443) 1.007 6.755 ( 0.082 0.687 0.988) 1.206 6.805 ( 0.430 -1.184 -1.221) 1.755 7.108 ( -0.466 -0.178 0.025) 0.499 7.110 ( -0.375 -0.239 -0.046) 0.447 ======================= Grid point 90 (48/75) ======================= q-point: (-0.14 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -5.635 8.697 -2.438) 10.645 0.847 ( -2.052 7.323 -1.626) 7.777 0.938 ( 0.398 6.382 -4.003) 7.544 0.991 ( -2.096 -4.119 1.221) 4.781 1.066 ( -1.115 1.214 -2.978) 3.404 1.145 ( -3.079 -2.309 -2.158) 4.412 1.180 ( 0.557 4.129 -0.337) 4.180 1.244 ( -0.565 2.388 -0.191) 2.461 1.316 ( -1.573 -4.521 0.959) 4.882 1.356 ( 0.330 -1.955 -1.633) 2.569 1.367 ( 2.541 -0.807 3.746) 4.598 1.422 ( -0.055 2.548 -1.108) 2.779 1.478 ( 3.235 2.925 2.971) 5.277 1.552 ( 2.141 0.684 -0.488) 2.300 1.606 ( -1.162 2.261 1.786) 3.107 1.645 ( 1.907 -0.582 1.998) 2.822 1.704 ( 1.140 3.721 -0.339) 3.906 1.721 ( 2.268 0.897 1.298) 2.763 1.810 ( 1.305 -2.352 1.460) 3.060 1.832 ( -1.697 3.490 -2.669) 4.710 1.937 ( 0.101 2.820 -0.461) 2.859 1.969 ( -1.496 0.413 -2.276) 2.755 2.025 ( -0.551 3.197 2.198) 3.919 2.138 ( 0.885 4.003 -3.298) 5.262 2.146 ( 2.190 0.187 1.450) 2.633 2.285 ( -1.116 -0.316 -0.486) 1.257 2.414 ( -1.452 -0.638 1.410) 2.122 2.475 ( -1.208 -3.649 5.017) 6.320 2.537 ( -1.623 0.206 -1.243) 2.055 2.595 ( 0.845 1.351 2.251) 2.758 2.696 ( -0.357 -0.988 0.236) 1.077 2.742 ( 0.397 -4.054 -1.559) 4.361 2.796 ( 1.583 -4.082 0.181) 4.382 2.826 ( -0.246 -5.475 -2.476) 6.014 3.095 ( -0.915 3.318 -0.003) 3.442 3.124 ( 0.066 2.595 -0.544) 2.652 3.202 ( 1.105 2.729 1.172) 3.169 3.266 ( 0.535 1.256 0.000) 1.366 3.331 ( 1.575 1.475 -0.501) 2.216 3.387 ( -0.636 0.223 0.605) 0.906 3.432 ( 1.178 -1.934 -1.509) 2.721 3.501 ( 0.458 -3.618 1.098) 3.808 3.813 ( 0.353 1.589 0.501) 1.703 3.958 ( -0.194 -3.870 -0.980) 3.997 4.015 ( -1.330 1.781 -0.442) 2.266 4.047 ( 1.644 -0.507 -0.323) 1.750 4.365 ( 1.497 -0.232 -0.137) 1.521 4.398 ( 0.841 -0.887 0.286) 1.255 4.671 ( -1.581 0.625 -0.616) 1.808 4.736 ( -2.412 -2.680 0.687) 3.671 5.403 ( 0.659 1.366 0.301) 1.546 5.425 ( 0.908 0.633 0.550) 1.236 5.482 ( 0.833 4.071 -0.363) 4.171 5.510 ( 0.651 3.058 0.009) 3.126 6.696 ( -0.030 1.424 0.696) 1.586 6.723 ( 0.225 0.840 -0.488) 0.997 6.758 ( -0.028 0.719 1.007) 1.238 6.812 ( 0.453 -1.505 -1.361) 2.079 7.099 ( -0.403 -0.108 0.074) 0.424 7.103 ( -0.288 -0.268 -0.099) 0.406 ======================= Grid point 91 (49/75) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.363 -6.278 2.390) 7.121 0.819 ( 2.363 6.278 2.390) 7.121 1.007 ( 2.288 -2.619 -2.073) 4.049 1.007 ( 2.288 2.619 -2.073) 4.049 1.065 ( -0.439 -0.849 -1.041) 1.414 1.065 ( -0.439 0.849 -1.041) 1.414 1.167 ( -5.135 -2.907 -3.837) 7.039 1.167 ( -5.135 2.907 -3.837) 7.039 1.315 ( 0.463 -1.218 -0.814) 1.537 1.315 ( 0.463 1.218 -0.814) 1.537 1.444 ( 2.477 -1.822 2.620) 4.040 1.444 ( 2.477 1.822 2.620) 4.040 1.543 ( -0.153 -2.734 0.153) 2.743 1.543 ( -0.153 2.734 0.153) 2.743 1.643 ( -0.419 -1.082 2.343) 2.615 1.643 ( -0.419 1.082 2.343) 2.615 1.751 ( -1.499 -1.016 0.622) 1.915 1.751 ( -1.499 1.016 0.622) 1.915 1.836 ( 0.360 -1.641 -1.098) 2.007 1.836 ( 0.360 1.641 -1.098) 2.007 1.962 ( 0.281 -0.723 -1.815) 1.974 1.962 ( 0.281 0.723 -1.815) 1.974 2.125 ( 0.285 -5.941 2.417) 6.420 2.125 ( 0.285 5.941 2.417) 6.420 2.206 ( 0.433 -3.547 -2.813) 4.548 2.206 ( 0.433 3.547 -2.813) 4.548 2.403 ( 0.587 -1.971 5.535) 5.905 2.403 ( 0.587 1.971 5.535) 5.905 2.619 ( -1.567 -6.167 -2.097) 6.700 2.619 ( -1.567 6.167 -2.097) 6.700 2.673 ( 0.346 -2.064 -1.090) 2.360 2.673 ( 0.346 2.064 -1.090) 2.360 2.766 ( 1.429 -1.596 1.292) 2.502 2.766 ( 1.429 1.596 1.292) 2.502 3.130 ( -0.958 -1.667 -1.322) 2.333 3.130 ( -0.958 1.667 -1.322) 2.333 3.269 ( 0.458 -1.423 0.678) 1.641 3.269 ( 0.458 1.423 0.678) 1.641 3.377 ( -0.462 -0.633 0.074) 0.787 3.377 ( -0.462 0.633 0.074) 0.787 3.430 ( -0.023 -1.269 -0.165) 1.280 3.430 ( -0.023 1.269 -0.165) 1.280 3.894 ( 1.710 -3.535 1.975) 4.395 3.894 ( 1.710 3.535 1.975) 4.395 4.016 ( -2.347 -1.310 -3.017) 4.040 4.016 ( -2.347 1.310 -3.017) 4.040 4.395 ( 0.755 -0.750 0.778) 1.318 4.395 ( 0.755 0.750 0.778) 1.318 4.667 ( -0.348 -0.775 -0.459) 0.965 4.667 ( -0.348 0.775 -0.459) 0.965 5.429 ( 0.354 -0.661 0.996) 1.246 5.429 ( 0.354 0.661 0.996) 1.246 5.539 ( -0.152 -0.573 -0.537) 0.800 5.539 ( -0.152 0.573 -0.537) 0.800 6.722 ( -0.042 -0.978 0.382) 1.050 6.722 ( -0.042 0.978 0.382) 1.050 6.783 ( 0.042 -1.758 -0.467) 1.819 6.783 ( 0.042 1.758 -0.467) 1.819 7.096 ( 0.001 -0.132 -0.018) 0.134 7.096 ( 0.001 0.132 -0.018) 0.134 ======================= Grid point 93 (50/75) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.881 -5.696 -1.632) 6.589 0.879 ( 2.881 5.696 -1.632) 6.589 1.008 ( -3.449 -4.938 -2.708) 6.604 1.008 ( -3.449 4.938 -2.708) 6.604 1.074 ( 1.645 -1.904 -2.164) 3.319 1.074 ( 1.645 1.904 -2.164) 3.319 1.127 ( 3.307 -2.676 0.710) 4.313 1.127 ( 3.307 2.676 0.710) 4.313 1.325 ( 0.860 -0.988 0.011) 1.310 1.325 ( 0.860 0.988 0.011) 1.310 1.480 ( 0.174 -1.784 1.575) 2.386 1.480 ( 0.174 1.784 1.575) 2.386 1.525 ( -1.108 -3.848 -0.034) 4.004 1.525 ( -1.108 3.848 -0.034) 4.004 1.639 ( -0.941 -3.503 2.650) 4.492 1.639 ( -0.941 3.503 2.650) 4.492 1.701 ( -2.854 -1.794 1.137) 3.557 1.701 ( -2.854 1.794 1.137) 3.557 1.833 ( -0.133 -1.984 -1.699) 2.615 1.833 ( -0.133 1.984 -1.699) 2.615 1.960 ( -0.401 -1.399 -0.781) 1.651 1.960 ( -0.401 1.399 -0.781) 1.651 2.139 ( 1.033 -5.755 1.843) 6.131 2.139 ( 1.033 5.755 1.843) 6.131 2.209 ( -0.232 -2.552 -2.750) 3.759 2.209 ( -0.232 2.552 -2.750) 3.759 2.444 ( 2.450 -1.410 4.792) 5.564 2.444 ( 2.450 1.410 4.792) 5.564 2.597 ( -0.039 -5.450 -1.439) 5.637 2.597 ( -0.039 5.450 -1.439) 5.637 2.667 ( -0.970 -1.407 -0.874) 1.919 2.667 ( -0.970 1.407 -0.874) 1.919 2.789 ( 0.517 -1.615 -0.337) 1.729 2.789 ( 0.517 1.615 -0.337) 1.729 3.115 ( -0.175 -1.204 -0.336) 1.262 3.115 ( -0.175 1.204 -0.336) 1.262 3.270 ( -0.525 -1.559 0.279) 1.668 3.270 ( -0.525 1.559 0.279) 1.668 3.353 ( -1.824 -1.836 0.363) 2.613 3.353 ( -1.824 1.836 0.363) 2.613 3.431 ( 0.137 -1.909 -0.087) 1.916 3.431 ( 0.137 1.909 -0.087) 1.916 3.918 ( -1.256 -1.940 0.317) 2.332 3.918 ( -1.256 1.940 0.317) 2.332 3.980 ( 0.884 -1.257 -0.672) 1.677 3.980 ( 0.884 1.257 -0.672) 1.677 4.389 ( -1.478 -0.407 -0.086) 1.535 4.389 ( -1.478 0.407 -0.086) 1.535 4.685 ( 2.247 -1.188 -0.119) 2.544 4.685 ( 2.247 1.188 -0.119) 2.544 5.434 ( -0.015 -0.715 0.734) 1.025 5.434 ( -0.015 0.715 0.734) 1.025 5.526 ( -1.043 -0.456 -0.437) 1.219 5.526 ( -1.043 0.456 -0.437) 1.219 6.721 ( -0.138 -0.917 0.386) 1.004 6.721 ( -0.138 0.917 0.386) 1.004 6.782 ( -0.106 -1.778 -0.462) 1.840 6.782 ( -0.106 1.778 -0.462) 1.840 7.099 ( 0.345 -0.121 -0.013) 0.366 7.099 ( 0.345 0.121 -0.013) 0.366 ======================= Grid point 95 (51/75) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.053 -6.939 -3.536) 7.859 0.898 ( 1.053 6.939 -3.536) 7.859 0.998 ( 2.625 -2.450 -1.463) 3.877 0.998 ( 2.625 2.450 -1.463) 3.877 1.109 ( 2.252 -1.367 -2.336) 3.521 1.109 ( 2.252 1.367 -2.336) 3.521 1.190 ( 1.805 -2.771 0.594) 3.359 1.190 ( 1.805 2.771 0.594) 3.359 1.348 ( 1.032 -1.770 1.864) 2.770 1.348 ( 1.032 1.770 1.864) 2.770 1.448 ( -2.661 -2.633 0.825) 3.833 1.448 ( -2.661 2.633 0.825) 3.833 1.506 ( -1.396 -0.768 -2.223) 2.735 1.506 ( -1.396 0.768 -2.223) 2.735 1.620 ( -0.936 -0.975 3.467) 3.721 1.620 ( -0.936 0.975 3.467) 3.721 1.659 ( -2.169 -1.995 1.473) 3.294 1.659 ( -2.169 1.995 1.473) 3.294 1.837 ( 0.939 -0.558 -1.882) 2.176 1.837 ( 0.939 0.558 -1.882) 2.176 1.944 ( -1.129 -2.104 0.292) 2.405 1.944 ( -1.129 2.104 0.292) 2.405 2.164 ( 0.350 -5.170 -0.541) 5.210 2.164 ( 0.350 5.170 -0.541) 5.210 2.190 ( -0.254 -1.693 0.508) 1.785 2.190 ( -0.254 1.693 0.508) 1.785 2.500 ( 2.663 -1.075 1.963) 3.478 2.500 ( 2.663 1.075 1.963) 3.478 2.604 ( 0.294 -4.210 -1.200) 4.387 2.604 ( 0.294 4.210 -1.200) 4.387 2.643 ( -0.873 -0.726 0.134) 1.143 2.643 ( -0.873 0.726 0.134) 1.143 2.776 ( -1.482 -1.913 -1.686) 2.950 2.776 ( -1.482 1.913 -1.686) 2.950 3.128 ( 1.364 -1.008 0.768) 1.862 3.128 ( 1.364 1.008 0.768) 1.862 3.251 ( -1.343 -1.499 -0.303) 2.036 3.251 ( -1.343 1.499 -0.303) 2.036 3.321 ( -1.418 -1.432 1.204) 2.348 3.321 ( -1.418 1.432 1.204) 2.348 3.433 ( 0.058 -3.158 -0.134) 3.161 3.433 ( 0.058 3.158 -0.134) 3.161 3.872 ( -2.087 -2.658 -0.890) 3.494 3.872 ( -2.087 2.658 -0.890) 3.494 4.022 ( 1.911 -2.379 0.991) 3.208 4.022 ( 1.911 2.379 0.991) 3.208 4.350 ( -2.041 -1.316 -0.368) 2.457 4.350 ( -2.041 1.316 -0.368) 2.457 4.738 ( 2.765 -2.409 0.025) 3.668 4.738 ( 2.765 2.409 0.025) 3.668 5.434 ( 0.032 -0.920 0.196) 0.942 5.434 ( 0.032 0.920 0.196) 0.942 5.500 ( -1.571 -0.611 -0.208) 1.698 5.500 ( -1.571 0.611 -0.208) 1.698 6.719 ( -0.146 -0.811 0.398) 0.916 6.719 ( -0.146 0.811 0.398) 0.916 6.778 ( -0.133 -1.710 -0.453) 1.774 6.778 ( -0.133 1.710 -0.453) 1.774 7.107 ( 0.415 -0.069 -0.008) 0.420 7.107 ( 0.415 0.069 -0.008) 0.420 ======================= Grid point 97 (52/75) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.326 -2.921 1.205) 5.358 0.958 ( 4.326 2.922 1.205) 5.358 1.051 ( 3.091 -3.478 -1.516) 4.894 1.051 ( 3.091 3.478 -1.516) 4.894 1.152 ( 2.748 -0.325 -1.991) 3.409 1.152 ( 2.748 0.325 -1.991) 3.409 1.202 ( 0.117 -3.541 -0.063) 3.543 1.202 ( 0.117 3.541 -0.063) 3.543 1.349 ( -2.116 -2.519 2.220) 3.969 1.349 ( -2.116 2.519 2.220) 3.969 1.410 ( -1.250 -2.241 -1.163) 2.817 1.410 ( -1.250 2.241 -1.163) 2.817 1.459 ( -2.693 -2.701 -0.277) 3.824 1.459 ( -2.693 2.701 -0.277) 3.824 1.586 ( -2.660 -3.571 -1.617) 4.737 1.586 ( -2.660 3.571 -1.617) 4.737 1.641 ( 0.119 -0.092 1.175) 1.184 1.641 ( 0.119 0.092 1.175) 1.184 1.863 ( 1.875 -0.945 0.259) 2.115 1.863 ( 1.875 0.945 0.259) 2.115 1.917 ( -1.686 -1.063 -0.046) 1.993 1.917 ( -1.686 1.063 -0.046) 1.993 2.136 ( -1.591 -1.955 -2.502) 3.552 2.136 ( -1.591 1.955 -2.502) 3.552 2.223 ( 1.945 -2.244 3.553) 4.631 2.223 ( 1.945 2.244 3.553) 4.631 2.543 ( 1.101 -1.284 0.093) 1.694 2.543 ( 1.101 1.284 0.093) 1.694 2.596 ( -0.197 -1.938 -0.351) 1.979 2.596 ( -0.197 1.938 -0.351) 1.979 2.639 ( -0.457 -1.432 -0.453) 1.570 2.639 ( -0.457 1.432 -0.453) 1.570 2.751 ( -0.056 -0.814 -0.541) 0.979 2.751 ( -0.056 0.814 -0.541) 0.979 3.149 ( 0.064 -1.805 -0.026) 1.806 3.149 ( 0.064 1.805 -0.026) 1.806 3.227 ( -0.576 -1.898 -0.351) 2.014 3.227 ( -0.576 1.898 -0.351) 2.014 3.306 ( -0.369 -0.781 1.633) 1.847 3.306 ( -0.369 0.781 1.633) 1.847 3.433 ( -0.016 -2.406 -0.141) 2.411 3.433 ( -0.016 2.406 -0.141) 2.411 3.852 ( 0.104 -3.069 0.778) 3.168 3.852 ( 0.104 3.069 0.778) 3.168 4.035 ( -0.540 -2.878 -1.161) 3.150 4.035 ( -0.540 2.878 -1.161) 3.150 4.327 ( -0.248 -1.468 0.621) 1.613 4.327 ( -0.248 1.468 0.621) 1.613 4.778 ( 1.157 -2.211 -0.127) 2.498 4.778 ( 1.157 2.211 -0.127) 2.498 5.439 ( 0.367 -1.134 0.093) 1.195 5.439 ( 0.367 1.134 0.093) 1.195 5.470 ( -1.207 -0.731 -0.304) 1.444 5.470 ( -1.207 0.731 -0.304) 1.444 6.717 ( -0.073 -0.752 0.410) 0.859 6.717 ( -0.073 0.752 0.410) 0.859 6.776 ( -0.036 -1.613 -0.448) 1.674 6.776 ( -0.036 1.613 -0.448) 1.674 7.113 ( 0.175 -0.015 -0.009) 0.176 7.113 ( 0.175 0.015 -0.009) 0.176 ======================= Grid point 99 (53/75) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.368 -0.618 0.835) 1.102 1.004 ( 0.368 0.618 0.835) 1.102 1.101 ( 0.336 -3.225 -1.656) 3.641 1.101 ( 0.336 3.225 -1.656) 3.641 1.180 ( -1.628 -3.046 0.908) 3.571 1.180 ( -1.628 3.046 0.908) 3.571 1.227 ( -0.110 -1.741 -1.728) 2.455 1.227 ( -0.110 1.741 -1.727) 2.455 1.284 ( 0.358 -3.222 -2.658) 4.192 1.284 ( 0.358 3.222 -2.658) 4.192 1.367 ( -1.986 -0.546 3.219) 3.821 1.367 ( -1.986 0.546 3.219) 3.821 1.454 ( 1.614 -2.775 1.668) 3.618 1.454 ( 1.614 2.775 1.668) 3.618 1.542 ( -1.139 -3.037 -3.753) 4.960 1.542 ( -1.139 3.037 -3.753) 4.960 1.656 ( 1.304 -2.967 0.962) 3.381 1.656 ( 1.304 2.967 0.962) 3.381 1.881 ( -1.481 -2.382 -0.451) 2.841 1.881 ( -1.481 2.382 -0.451) 2.841 1.910 ( 2.310 -1.503 1.081) 2.960 1.910 ( 2.310 1.503 1.081) 2.960 2.107 ( -1.051 -1.972 -1.557) 2.723 2.107 ( -1.051 1.972 -1.557) 2.723 2.258 ( 0.911 -1.931 2.485) 3.276 2.258 ( 0.911 1.931 2.485) 3.276 2.530 ( -2.148 -1.569 0.142) 2.663 2.530 ( -2.148 1.569 0.142) 2.663 2.599 ( -0.636 -0.937 -0.966) 1.489 2.599 ( -0.636 0.937 -0.966) 1.489 2.629 ( 1.128 -2.100 -0.147) 2.388 2.629 ( 1.128 2.100 -0.147) 2.388 2.772 ( 1.222 -1.594 -0.369) 2.042 2.772 ( 1.222 1.594 -0.369) 2.042 3.134 ( -0.824 -1.468 -0.157) 1.691 3.134 ( -0.824 1.468 -0.157) 1.691 3.230 ( 0.529 -1.478 -0.213) 1.584 3.230 ( 0.529 1.478 -0.213) 1.584 3.314 ( 0.988 -2.209 1.741) 2.981 3.314 ( 0.988 2.209 1.741) 2.981 3.431 ( -0.184 -1.718 -0.271) 1.749 3.431 ( -0.184 1.718 -0.271) 1.749 3.871 ( 1.249 -2.131 0.887) 2.624 3.871 ( 1.249 2.131 0.887) 2.624 4.012 ( -1.053 -2.254 -1.214) 2.768 4.012 ( -1.053 2.254 -1.214) 2.768 4.338 ( 1.051 -0.560 0.555) 1.314 4.338 ( 1.051 0.560 0.555) 1.314 4.777 ( -1.148 -1.045 -0.128) 1.558 4.777 ( -1.148 1.045 -0.128) 1.558 5.431 ( -0.939 -0.782 0.037) 1.223 5.431 ( -0.939 0.782 0.037) 1.223 5.474 ( 1.436 -0.793 -0.248) 1.659 5.474 ( 1.436 0.793 -0.248) 1.659 6.717 ( 0.023 -0.773 0.411) 0.876 6.717 ( 0.023 0.773 0.411) 0.876 6.776 ( 0.108 -1.556 -0.449) 1.623 6.776 ( 0.108 1.556 -0.449) 1.623 7.113 ( -0.182 -0.015 -0.009) 0.183 7.113 ( -0.182 0.015 -0.009) 0.183 ======================= Grid point 101 (54/75) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -7.750 -2.408 -4.803) 9.430 0.968 ( -7.750 2.408 -4.803) 9.430 1.007 ( -2.482 -2.952 -1.196) 4.038 1.007 ( -2.482 2.952 -1.196) 4.038 1.149 ( -1.612 -3.083 -2.320) 4.182 1.149 ( -1.612 3.083 -2.320) 4.182 1.222 ( 1.159 -3.291 1.774) 3.914 1.222 ( 1.159 3.291 1.774) 3.914 1.301 ( -0.251 -0.304 -1.015) 1.089 1.301 ( -0.251 0.304 -1.015) 1.089 1.377 ( 1.178 -2.950 2.651) 4.137 1.377 ( 1.178 2.950 2.651) 4.137 1.501 ( 1.248 -4.355 1.319) 4.719 1.501 ( 1.248 4.355 1.319) 4.719 1.564 ( 4.579 -1.477 0.537) 4.841 1.564 ( 4.579 1.477 0.537) 4.841 1.695 ( 2.498 -3.365 1.205) 4.360 1.695 ( 2.498 3.365 1.205) 4.360 1.850 ( -1.532 -4.792 -1.404) 5.224 1.850 ( -1.532 4.792 -1.404) 5.224 1.949 ( 1.257 -2.237 -0.148) 2.570 1.949 ( 1.257 2.237 -0.148) 2.570 2.096 ( 0.088 -2.462 0.640) 2.545 2.096 ( 0.088 2.462 0.640) 2.545 2.258 ( -1.109 -3.658 -0.068) 3.823 2.258 ( -1.109 3.659 -0.068) 3.823 2.469 ( -3.871 -1.481 1.333) 4.354 2.469 ( -3.871 1.481 1.333) 4.354 2.597 ( 0.968 -1.773 -0.265) 2.038 2.597 ( 0.968 1.773 -0.265) 2.038 2.665 ( 1.882 -3.636 0.154) 4.097 2.665 ( 1.882 3.636 0.154) 4.097 2.770 ( -1.216 -2.470 -2.143) 3.489 2.770 ( -1.216 2.470 -2.143) 3.489 3.135 ( 0.684 -1.903 1.018) 2.264 3.135 ( 0.684 1.903 1.018) 2.264 3.240 ( 0.582 -2.992 -0.432) 3.078 3.240 ( 0.582 2.992 -0.432) 3.078 3.344 ( 1.571 -3.227 1.269) 3.807 3.344 ( 1.571 3.227 1.269) 3.807 3.428 ( -0.005 -2.246 -0.279) 2.263 3.428 ( -0.005 2.246 -0.279) 2.263 3.881 ( -0.321 -3.964 -0.880) 4.073 3.881 ( -0.321 3.964 -0.880) 4.073 4.014 ( 1.347 -1.020 0.967) 1.947 4.014 ( 1.347 1.020 0.967) 1.947 4.359 ( 0.971 -0.778 -0.332) 1.288 4.359 ( 0.971 0.778 -0.332) 1.288 4.740 ( -2.476 -1.442 0.021) 2.865 4.740 ( -2.476 1.442 0.021) 2.865 5.418 ( -0.292 -0.737 0.145) 0.806 5.418 ( -0.292 0.737 0.145) 0.806 5.506 ( 1.702 -0.948 -0.156) 1.954 5.506 ( 1.702 0.948 -0.156) 1.954 6.719 ( 0.084 -0.853 0.402) 0.946 6.719 ( 0.084 0.853 0.402) 0.946 6.778 ( 0.207 -1.573 -0.457) 1.651 6.778 ( 0.207 1.573 -0.457) 1.651 7.107 ( -0.409 -0.044 -0.008) 0.412 7.107 ( -0.409 0.044 -0.008) 0.412 ======================= Grid point 103 (55/75) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -4.129 -7.685 -0.918) 8.773 0.826 ( -4.129 7.685 -0.918) 8.773 0.989 ( 0.086 -1.911 -2.740) 3.342 0.989 ( 0.086 1.911 -2.740) 3.342 1.098 ( -2.499 -2.112 -2.647) 4.209 1.098 ( -2.499 2.112 -2.647) 4.209 1.239 ( -1.230 -2.844 0.405) 3.125 1.239 ( -1.230 2.844 0.405) 3.125 1.301 ( 0.883 -2.553 -0.562) 2.760 1.301 ( 0.883 2.553 -0.562) 2.760 1.401 ( 1.248 -3.445 2.092) 4.220 1.401 ( 1.248 3.445 2.092) 4.220 1.527 ( 1.467 -2.790 0.157) 3.156 1.527 ( 1.467 2.790 0.157) 3.156 1.636 ( 1.590 -1.395 2.608) 3.358 1.636 ( 1.590 1.395 2.608) 3.358 1.745 ( 1.803 -2.475 1.324) 3.336 1.745 ( 1.803 2.475 1.324) 3.336 1.828 ( 0.004 -3.771 -1.877) 4.212 1.828 ( 0.004 3.771 -1.877) 4.212 1.959 ( 0.279 -0.836 -1.711) 1.924 1.959 ( 0.279 0.836 -1.711) 1.924 2.110 ( 0.809 -3.611 2.640) 4.545 2.110 ( 0.809 3.611 2.640) 4.545 2.224 ( -1.749 -4.678 -2.278) 5.489 2.224 ( -1.749 4.678 -2.278) 5.489 2.411 ( -2.166 -1.754 3.574) 4.532 2.411 ( -2.166 1.754 3.574) 4.532 2.625 ( 1.364 -2.338 0.264) 2.720 2.625 ( 1.364 2.338 0.264) 2.720 2.682 ( -0.501 -3.786 -2.272) 4.443 2.682 ( -0.501 3.786 -2.272) 4.443 2.745 ( -0.049 -1.706 0.257) 1.726 2.745 ( -0.049 1.706 0.257) 1.726 3.144 ( -0.109 -1.160 -0.411) 1.235 3.144 ( -0.109 1.160 -0.411) 1.235 3.254 ( 0.861 -2.206 0.400) 2.402 3.254 ( 0.861 2.206 0.400) 2.402 3.371 ( 0.960 -2.700 0.368) 2.889 3.371 ( 0.960 2.700 0.368) 2.889 3.430 ( 0.134 -2.753 -0.143) 2.760 3.430 ( 0.134 2.753 -0.143) 2.760 3.874 ( 0.115 -4.492 -0.005) 4.493 3.874 ( 0.115 4.492 -0.005) 4.493 4.040 ( 0.472 -0.690 -0.326) 0.897 4.040 ( 0.472 0.690 -0.326) 0.897 4.375 ( 0.901 -1.192 -0.102) 1.498 4.375 ( 0.901 1.192 -0.102) 1.498 4.693 ( -2.121 -1.795 -0.118) 2.781 4.693 ( -2.121 1.795 -0.118) 2.781 5.420 ( 0.332 -0.678 0.638) 0.988 5.420 ( 0.332 0.678 0.638) 0.988 5.532 ( 0.946 -0.844 -0.337) 1.311 5.532 ( 0.946 0.844 -0.337) 1.311 6.721 ( 0.060 -0.944 0.389) 1.023 6.721 ( 0.060 0.944 0.389) 1.023 6.782 ( 0.186 -1.661 -0.464) 1.735 6.782 ( 0.186 1.661 -0.464) 1.735 7.099 ( -0.338 -0.097 -0.013) 0.352 7.099 ( -0.338 0.097 -0.013) 0.352 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -5.704 0.000 -13.380) 14.545 0.541 ( 5.704 0.000 13.380) 14.545 0.637 ( 1.452 0.000 -13.783) 13.860 0.637 ( -1.452 0.000 13.783) 13.860 0.705 ( -2.323 0.000 -18.342) 18.489 0.705 ( 2.323 0.000 18.342) 18.489 1.225 ( 1.248 0.000 -4.593) 4.760 1.225 ( -1.248 0.000 4.593) 4.760 1.261 ( -2.083 0.000 -3.643) 4.197 1.261 ( 2.083 0.000 3.643) 4.197 1.349 ( 0.174 0.000 -1.173) 1.186 1.349 ( -0.174 0.000 1.173) 1.186 1.492 ( -5.899 0.000 -4.146) 7.210 1.492 ( 5.899 0.000 4.146) 7.210 1.606 ( 3.790 0.000 -3.568) 5.205 1.606 ( -3.790 0.000 3.568) 5.205 1.642 ( -0.844 0.000 -2.006) 2.176 1.642 ( 0.844 0.000 2.006) 2.176 1.810 ( -2.969 0.000 0.749) 3.062 1.810 ( 2.969 0.000 -0.749) 3.062 1.934 ( -0.681 0.000 0.072) 0.685 1.934 ( 0.681 0.000 -0.072) 0.685 2.022 ( 2.530 0.000 -1.324) 2.855 2.022 ( -2.530 0.000 1.324) 2.855 2.087 ( 1.624 0.000 -2.800) 3.236 2.087 ( -1.624 0.000 2.800) 3.236 2.597 ( -0.764 0.000 -2.802) 2.904 2.597 ( 0.764 0.000 2.802) 2.904 2.711 ( -4.506 0.000 1.453) 4.734 2.711 ( 4.506 0.000 -1.453) 4.734 2.836 ( -2.445 0.000 0.546) 2.505 2.836 ( 2.445 0.000 -0.546) 2.505 3.032 ( -2.805 0.000 -3.628) 4.586 3.032 ( 2.805 0.000 3.628) 4.586 3.079 ( -0.348 0.000 -3.059) 3.079 3.079 ( 0.348 0.000 3.059) 3.079 3.174 ( -2.721 0.000 -4.268) 5.061 3.174 ( 2.721 0.000 4.268) 5.061 3.330 ( -2.147 0.000 -3.765) 4.334 3.330 ( 2.147 0.000 3.765) 4.334 3.395 ( -2.590 0.000 -2.527) 3.618 3.395 ( 2.590 0.000 2.527) 3.618 3.946 ( -1.132 0.000 -1.341) 1.755 3.946 ( 1.132 0.000 1.341) 1.755 4.124 ( -3.107 0.000 -3.550) 4.718 4.124 ( 3.107 0.000 3.550) 4.718 4.604 ( 4.777 0.000 -4.517) 6.575 4.604 ( -4.777 0.000 4.517) 6.575 4.768 ( -8.653 0.000 -0.243) 8.656 4.768 ( 8.653 0.000 0.243) 8.656 5.165 ( -0.986 0.000 -0.007) 0.986 5.165 ( 0.986 0.000 0.007) 0.986 5.242 ( 0.210 0.000 -0.253) 0.329 5.242 ( -0.210 0.000 0.253) 0.329 6.703 ( -0.650 0.000 -0.484) 0.810 6.703 ( 0.650 0.000 0.484) 0.810 6.804 ( 0.409 0.000 -1.273) 1.337 6.804 ( -0.409 0.000 1.273) 1.337 7.108 ( 0.137 0.000 -0.341) 0.367 7.108 ( -0.137 0.000 0.341) 0.367 ======================= Grid point 128 (57/75) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -6.582 0.000 -12.845) 14.433 0.508 ( -2.821 0.000 15.679) 15.931 0.665 ( 1.992 0.000 12.570) 12.726 0.677 ( 4.755 0.000 -13.926) 14.716 0.828 ( 10.654 0.000 -12.254) 16.238 0.952 ( 11.225 0.000 11.203) 15.859 1.183 ( -2.840 0.000 2.573) 3.832 1.198 ( -4.534 0.000 -5.008) 6.755 1.222 ( -0.102 0.000 -2.223) 2.226 1.312 ( 1.523 0.000 2.974) 3.342 1.375 ( 2.213 0.000 2.776) 3.551 1.375 ( -0.370 0.000 -3.604) 3.623 1.413 ( 2.518 0.000 1.860) 3.130 1.492 ( -6.376 0.000 4.761) 7.958 1.564 ( -2.328 0.000 -5.082) 5.590 1.595 ( -2.641 0.000 -1.632) 3.104 1.656 ( 4.173 0.000 0.969) 4.284 1.681 ( -0.615 0.000 0.024) 0.616 1.746 ( -0.368 0.000 -2.747) 2.772 1.830 ( 0.542 0.000 -0.473) 0.719 1.917 ( -2.561 0.000 1.442) 2.939 1.919 ( -0.783 0.000 0.209) 0.811 1.989 ( -1.260 0.000 2.548) 2.842 2.059 ( 0.470 0.000 -1.041) 1.143 2.081 ( 0.180 0.000 0.723) 0.745 2.122 ( 1.788 0.000 -4.033) 4.411 2.560 ( -2.418 0.000 -1.813) 3.022 2.587 ( -2.215 0.000 3.685) 4.299 2.648 ( -1.981 0.000 0.612) 2.074 2.764 ( -0.144 0.000 -3.993) 3.995 2.839 ( 3.725 0.000 3.422) 5.058 2.873 ( 0.218 0.000 -1.909) 1.922 2.978 ( -1.418 0.000 -0.828) 1.642 3.043 ( -2.376 0.000 -2.911) 3.758 3.057 ( -2.883 0.000 0.292) 2.898 3.066 ( -0.344 0.000 0.855) 0.922 3.140 ( 0.279 0.000 -1.308) 1.337 3.228 ( 1.932 0.000 4.010) 4.451 3.271 ( -2.281 0.000 -3.439) 4.127 3.348 ( -0.368 0.000 1.368) 1.416 3.372 ( 0.348 0.000 0.220) 0.411 3.457 ( 2.675 0.000 1.825) 3.238 3.935 ( -1.375 0.000 -2.841) 3.157 3.979 ( 1.865 0.000 0.931) 2.084 3.988 ( -7.046 0.000 -4.698) 8.468 4.121 ( -3.256 0.000 1.778) 3.709 4.426 ( -8.223 0.000 -1.776) 8.413 4.604 ( -2.304 0.000 -4.092) 4.696 4.709 ( 0.390 0.000 -1.935) 1.974 4.910 ( 3.973 0.000 -5.339) 6.655 5.138 ( -1.635 0.000 0.062) 1.636 5.172 ( -0.301 0.000 -0.493) 0.577 5.237 ( -0.340 0.000 1.285) 1.330 5.245 ( 0.202 0.000 -0.284) 0.348 6.690 ( -0.535 0.000 -0.015) 0.536 6.711 ( -0.020 0.000 0.658) 0.658 6.793 ( -0.736 0.000 2.103) 2.228 6.800 ( -0.402 0.000 -1.469) 1.523 7.110 ( 0.335 0.000 0.234) 0.409 7.114 ( 0.501 0.000 -0.283) 0.575 ======================= Grid point 129 (58/75) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 15.722 0.000 4.515) 16.358 0.554 ( 4.903 0.000 12.984) 13.878 0.747 ( 4.474 0.000 10.108) 11.054 0.766 ( 6.368 0.000 -11.941) 13.533 0.982 ( 3.760 0.000 -3.072) 4.855 1.084 ( 2.841 0.000 1.151) 3.065 1.095 ( -4.354 0.000 -6.470) 7.799 1.151 ( 1.199 0.000 -4.251) 4.417 1.191 ( -2.304 0.000 -1.669) 2.845 1.290 ( -3.649 0.000 2.546) 4.449 1.379 ( -5.881 0.000 3.541) 6.864 1.405 ( 2.163 0.000 -1.622) 2.704 1.435 ( 2.897 0.000 3.081) 4.229 1.503 ( 1.192 0.000 3.905) 4.082 1.519 ( 0.692 0.000 -5.598) 5.641 1.562 ( 2.839 0.000 3.171) 4.256 1.630 ( -2.098 0.000 -1.569) 2.620 1.710 ( -0.348 0.000 -1.846) 1.879 1.770 ( 0.946 0.000 -1.507) 1.779 1.840 ( -0.774 0.000 0.831) 1.136 1.867 ( -2.127 0.000 2.130) 3.010 1.918 ( 1.882 0.000 -0.754) 2.028 1.976 ( -0.639 0.000 2.827) 2.898 2.024 ( -3.344 0.000 -1.756) 3.777 2.076 ( -0.646 0.000 0.518) 0.828 2.120 ( -1.247 0.000 -3.746) 3.948 2.514 ( -1.631 0.000 -0.997) 1.912 2.553 ( -1.592 0.000 2.787) 3.210 2.617 ( -1.213 0.000 0.239) 1.236 2.731 ( -2.331 0.000 -2.741) 3.598 2.825 ( -2.627 0.000 -4.300) 5.039 2.923 ( 2.893 0.000 1.144) 3.111 2.968 ( -0.530 0.000 1.399) 1.496 3.001 ( -0.574 0.000 -2.479) 2.545 3.047 ( 2.734 0.000 0.663) 2.813 3.051 ( -1.219 0.000 0.886) 1.507 3.145 ( 0.178 0.000 -1.574) 1.584 3.217 ( -1.973 0.000 -2.695) 3.340 3.284 ( 1.453 0.000 5.177) 5.377 3.345 ( -0.736 0.000 1.580) 1.743 3.384 ( 1.102 0.000 0.978) 1.474 3.475 ( -0.907 0.000 -1.306) 1.590 3.816 ( -3.526 0.000 -5.331) 6.392 3.993 ( -3.006 0.000 -0.094) 3.007 4.015 ( 4.181 0.000 0.838) 4.264 4.055 ( -0.652 0.000 1.153) 1.324 4.336 ( -2.036 0.000 -1.054) 2.293 4.513 ( -6.143 0.000 -4.500) 7.614 4.731 ( 2.146 0.000 -0.675) 2.250 4.921 ( -1.106 0.000 -3.445) 3.618 5.109 ( -1.259 0.000 0.388) 1.317 5.153 ( -1.437 0.000 -0.852) 1.671 5.236 ( 0.004 0.000 2.054) 2.054 5.248 ( 0.184 0.000 -1.261) 1.275 6.684 ( -0.144 0.000 0.096) 0.173 6.704 ( -0.677 0.000 0.298) 0.739 6.787 ( -0.310 0.000 2.469) 2.489 6.792 ( -0.085 0.000 -2.065) 2.067 7.119 ( 0.505 0.000 0.060) 0.508 7.124 ( 0.480 0.000 -0.160) 0.505 ======================= Grid point 130 (59/75) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 6.664 0.000 8.224) 10.585 0.707 ( 9.251 0.000 2.147) 9.497 0.857 ( 3.750 0.000 -8.823) 9.587 0.858 ( 4.648 0.000 8.097) 9.336 0.935 ( -4.154 0.000 0.702) 4.213 0.998 ( -5.132 0.000 -5.507) 7.527 1.117 ( 0.704 0.000 -0.972) 1.200 1.152 ( -3.504 0.000 4.691) 5.855 1.185 ( 3.258 0.000 -6.691) 7.442 1.264 ( -4.218 0.000 3.819) 5.690 1.327 ( 5.789 0.000 -4.195) 7.149 1.412 ( -0.823 0.000 0.174) 0.841 1.468 ( -0.008 0.000 -0.523) 0.523 1.472 ( -2.866 0.000 3.392) 4.441 1.571 ( 4.381 0.000 -1.904) 4.777 1.587 ( 0.553 0.000 0.628) 0.837 1.640 ( -1.642 0.000 1.991) 2.581 1.642 ( -4.540 0.000 -4.311) 6.261 1.783 ( 0.939 0.000 0.491) 1.060 1.806 ( -1.772 0.000 -0.487) 1.837 1.872 ( 2.820 0.000 2.654) 3.873 1.947 ( -2.981 0.000 -1.424) 3.304 1.967 ( 0.794 0.000 -2.549) 2.670 1.973 ( -0.253 0.000 3.505) 3.514 2.072 ( 0.166 0.000 1.233) 1.244 2.086 ( -1.172 0.000 -1.984) 2.304 2.504 ( 0.628 0.000 -0.437) 0.765 2.527 ( -1.558 0.000 1.093) 1.903 2.625 ( 1.835 0.000 1.514) 2.379 2.675 ( -2.746 0.000 -2.552) 3.749 2.815 ( 2.458 0.000 -1.009) 2.657 2.897 ( -4.589 0.000 -0.972) 4.691 2.971 ( 0.521 0.000 2.185) 2.246 2.991 ( -1.173 0.000 -1.796) 2.145 3.071 ( 3.405 0.000 1.779) 3.842 3.110 ( 1.623 0.000 0.936) 1.874 3.159 ( 1.392 0.000 -1.767) 2.250 3.173 ( -1.435 0.000 -1.846) 2.338 3.295 ( -0.713 0.000 3.776) 3.842 3.312 ( -2.186 0.000 -0.657) 2.282 3.418 ( 1.609 0.000 2.644) 3.095 3.446 ( -1.066 0.000 -3.273) 3.442 3.809 ( 2.601 0.000 -0.353) 2.625 3.892 ( -5.433 0.000 -1.420) 5.615 4.081 ( 1.958 0.000 -0.254) 1.974 4.083 ( 1.308 0.000 1.606) 2.071 4.325 ( 0.954 0.000 0.989) 1.374 4.387 ( -5.249 0.000 -3.119) 6.105 4.791 ( 3.923 0.000 1.363) 4.153 4.871 ( -3.494 0.000 -2.660) 4.391 5.100 ( 0.373 0.000 0.689) 0.784 5.121 ( -1.496 0.000 -0.770) 1.683 5.242 ( 0.136 0.000 2.090) 2.094 5.247 ( -0.036 0.000 -1.839) 1.839 6.684 ( 0.185 0.000 0.049) 0.192 6.691 ( -0.557 0.000 0.016) 0.557 6.787 ( -0.096 0.000 2.434) 2.436 6.789 ( 0.114 0.000 -2.278) 2.281 7.128 ( 0.306 0.000 -0.021) 0.307 7.130 ( 0.120 0.000 -0.031) 0.124 ======================= Grid point 134 (60/75) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 2.858 0.158 -5.307) 6.029 0.514 ( -2.858 0.158 5.307) 6.029 0.625 ( -9.092 5.528 -7.043) 12.761 0.625 ( 9.092 5.528 7.043) 12.761 0.947 ( 0.917 14.798 -11.869) 18.992 0.947 ( -0.917 14.798 11.869) 18.992 1.197 ( 1.286 -2.858 -4.803) 5.735 1.197 ( -1.286 -2.858 4.803) 5.735 1.286 ( -2.475 2.233 -3.101) 4.553 1.286 ( 2.475 2.233 3.101) 4.553 1.353 ( -0.930 0.391 -1.460) 1.774 1.353 ( 0.930 0.391 1.460) 1.774 1.487 ( -2.743 -0.044 -2.036) 3.416 1.487 ( 2.743 -0.044 2.036) 3.416 1.596 ( -4.314 -0.606 -0.067) 4.357 1.596 ( 4.314 -0.606 0.067) 4.357 1.677 ( -0.585 2.764 -2.711) 3.916 1.677 ( 0.585 2.764 2.711) 3.916 1.799 ( -2.135 -0.632 -0.484) 2.279 1.799 ( 2.135 -0.632 0.484) 2.279 1.930 ( 0.410 -1.041 -0.916) 1.446 1.930 ( -0.410 -1.041 0.916) 1.446 2.044 ( 0.343 1.187 -3.093) 3.331 2.044 ( -0.343 1.187 3.093) 3.331 2.100 ( -0.154 3.020 -2.471) 3.905 2.100 ( 0.154 3.020 2.471) 3.905 2.552 ( -0.861 -4.053 -2.413) 4.795 2.552 ( 0.861 -4.053 2.413) 4.795 2.702 ( 0.262 -1.080 -1.791) 2.108 2.702 ( -0.262 -1.080 1.791) 2.108 2.822 ( -1.764 -1.396 -3.919) 4.519 2.822 ( 1.764 -1.396 3.919) 4.519 2.984 ( -1.242 -4.453 -2.482) 5.247 2.984 ( 1.242 -4.453 2.482) 5.247 3.065 ( 0.031 -1.677 -2.211) 2.775 3.065 ( -0.031 -1.677 2.211) 2.775 3.206 ( -1.710 2.621 -2.910) 4.273 3.206 ( 1.710 2.621 2.910) 4.273 3.286 ( -2.802 -1.327 -3.425) 4.620 3.286 ( 2.802 -1.327 3.425) 4.620 3.458 ( -2.918 3.392 -2.289) 5.026 3.458 ( 2.918 3.392 2.289) 5.026 3.944 ( -0.423 -0.119 -1.355) 1.424 3.944 ( 0.423 -0.119 1.355) 1.424 4.076 ( -4.174 -4.422 -4.686) 7.677 4.076 ( 4.174 -4.422 4.686) 7.677 4.496 ( -2.412 -6.753 0.029) 7.171 4.496 ( 2.412 -6.753 -0.029) 7.171 4.741 ( -4.260 -1.291 -2.098) 4.921 4.741 ( 4.260 -1.291 2.098) 4.921 5.260 ( 0.602 5.903 -1.313) 6.077 5.260 ( -0.602 5.903 1.313) 6.077 5.331 ( 0.712 7.446 -2.664) 7.941 5.331 ( -0.712 7.446 2.664) 7.941 6.695 ( -0.319 -0.476 0.016) 0.573 6.695 ( 0.319 -0.476 -0.016) 0.573 6.801 ( 0.191 -0.316 -2.973) 2.996 6.801 ( -0.191 -0.316 2.973) 2.996 7.106 ( 0.122 -0.183 -0.320) 0.388 7.106 ( -0.122 -0.183 0.320) 0.388 ======================= Grid point 136 (61/75) ======================= q-point: ( 0.14 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -4.507 5.201 -7.751) 10.365 0.546 ( -0.095 6.268 8.960) 10.935 0.616 ( 6.484 -0.186 -10.624) 12.448 0.768 ( 3.470 6.953 10.903) 13.389 0.979 ( 2.683 9.499 -1.326) 9.959 1.058 ( 7.591 9.325 -0.085) 12.025 1.166 ( -1.251 -0.498 3.153) 3.429 1.212 ( -1.220 -0.801 -5.616) 5.802 1.246 ( -0.030 2.974 -0.958) 3.125 1.336 ( 2.027 1.286 3.223) 4.018 1.353 ( 1.334 0.022 1.167) 1.773 1.367 ( 0.178 -0.078 -1.393) 1.406 1.440 ( -1.758 1.892 1.653) 3.067 1.479 ( -3.378 -0.960 2.423) 4.267 1.533 ( -1.459 -1.033 -2.443) 3.027 1.633 ( -3.056 2.195 -3.697) 5.275 1.673 ( 3.359 1.839 1.784) 4.225 1.693 ( 0.189 0.505 1.053) 1.183 1.745 ( -1.758 -0.561 -2.291) 2.942 1.829 ( 1.635 0.541 -1.272) 2.141 1.915 ( -0.383 -0.654 2.149) 2.279 1.922 ( -1.881 -0.290 -0.845) 2.083 2.025 ( -1.790 1.549 -0.720) 2.474 2.045 ( -0.354 0.675 2.921) 3.019 2.095 ( -0.113 1.605 -2.394) 2.884 2.127 ( 1.167 1.924 -1.434) 2.668 2.510 ( -1.985 -3.914 -0.449) 4.412 2.570 ( -0.177 -2.362 1.389) 2.745 2.652 ( -2.543 0.101 0.550) 2.604 2.749 ( 0.544 -1.440 -2.888) 3.273 2.780 ( 0.524 -3.436 -1.390) 3.743 2.879 ( 1.823 -1.192 1.663) 2.741 2.952 ( -1.598 -3.116 -0.777) 3.588 2.992 ( -0.662 -5.625 1.440) 5.844 3.035 ( -1.086 -2.062 -0.707) 2.435 3.075 ( -0.572 0.893 -0.454) 1.154 3.161 ( -1.775 2.144 -1.639) 3.230 3.228 ( -0.170 -1.557 -0.999) 1.858 3.250 ( -0.021 1.235 1.961) 2.317 3.343 ( 1.829 0.299 3.001) 3.527 3.407 ( -1.641 2.292 -1.189) 3.060 3.515 ( 2.097 3.649 1.780) 4.570 3.906 ( -5.886 -3.084 -6.232) 9.110 3.948 ( 1.428 -0.079 0.424) 1.491 3.998 ( 0.050 -0.350 -0.428) 0.556 4.098 ( -2.149 -2.409 1.991) 3.793 4.407 ( -4.399 -1.126 -1.371) 4.743 4.512 ( -1.228 -7.151 -1.791) 7.474 4.698 ( -0.275 -1.055 -1.778) 2.085 4.840 ( 4.426 -3.331 0.187) 5.542 5.228 ( -2.451 6.475 0.920) 6.985 5.256 ( -0.831 5.819 -0.839) 5.938 5.308 ( -1.123 6.402 0.231) 6.504 5.335 ( -0.454 7.164 -1.789) 7.398 6.687 ( -0.404 -0.171 0.252) 0.506 6.700 ( 0.040 -0.695 0.012) 0.696 6.793 ( -0.490 -0.065 0.085) 0.501 6.797 ( -0.490 -0.338 0.345) 0.688 7.109 ( 0.326 -0.182 0.227) 0.437 7.112 ( 0.477 -0.220 -0.260) 0.586 ======================= Grid point 137 (62/75) ======================= q-point: ( 0.29 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 13.657 3.926 6.027) 15.436 0.616 ( 5.709 6.345 6.963) 11.015 0.743 ( 8.279 0.343 -8.863) 12.133 0.843 ( 3.258 6.738 8.559) 11.370 0.996 ( -0.865 2.546 1.757) 3.212 1.096 ( -2.012 0.042 -5.718) 6.062 1.143 ( -1.047 3.343 -0.903) 3.618 1.219 ( -4.185 4.945 -1.423) 6.633 1.249 ( 4.381 5.391 -3.342) 7.709 1.301 ( -3.179 2.120 1.563) 4.128 1.349 ( -2.565 -0.105 1.013) 2.759 1.405 ( 1.461 -0.174 -1.497) 2.099 1.419 ( 1.936 -1.862 3.407) 4.339 1.484 ( 1.763 -1.871 -3.422) 4.280 1.555 ( -2.944 0.963 -2.489) 3.973 1.566 ( 4.513 2.449 5.635) 7.623 1.658 ( -3.018 1.884 -0.478) 3.590 1.726 ( 0.318 1.239 -0.990) 1.617 1.744 ( 1.119 -1.459 -0.818) 2.012 1.851 ( -0.534 0.184 -0.643) 0.856 1.874 ( -2.243 0.335 1.661) 2.811 1.939 ( 2.869 1.789 0.345) 3.398 1.980 ( -2.563 -1.717 -2.209) 3.795 2.023 ( -2.043 2.732 2.836) 4.437 2.079 ( -0.755 0.341 -1.917) 2.089 2.126 ( -0.990 1.693 -0.989) 2.197 2.486 ( -0.174 -2.449 -0.547) 2.515 2.559 ( -0.922 0.028 1.779) 2.004 2.610 ( -1.482 -0.480 0.361) 1.599 2.711 ( -2.477 -1.276 -2.702) 3.882 2.801 ( -0.146 -2.405 -3.535) 4.278 2.903 ( -0.520 -2.554 0.224) 2.616 2.910 ( -0.015 -4.191 0.993) 4.307 2.974 ( -1.584 -5.325 0.282) 5.563 3.056 ( 1.138 0.878 0.021) 1.438 3.061 ( 1.498 1.347 1.086) 2.288 3.144 ( 0.093 0.670 -0.979) 1.190 3.208 ( -1.426 -0.934 -2.452) 2.986 3.264 ( 0.214 -0.527 3.615) 3.660 3.356 ( -0.377 1.280 2.087) 2.477 3.407 ( 1.193 1.192 1.114) 2.021 3.515 ( -2.084 2.750 -1.882) 3.931 3.811 ( -1.760 -0.187 -3.262) 3.711 3.982 ( -1.800 -0.749 0.774) 2.098 4.022 ( 2.990 0.492 -0.187) 3.036 4.054 ( -0.126 -0.436 1.297) 1.374 4.341 ( -2.320 0.180 -0.746) 2.444 4.453 ( -4.329 -4.594 -2.504) 6.791 4.714 ( 2.136 -1.304 -0.350) 2.527 4.886 ( 0.421 -2.286 -1.598) 2.821 5.185 ( -1.670 6.454 0.531) 6.687 5.231 ( -1.600 6.123 -0.534) 6.351 5.291 ( -0.654 5.604 0.105) 5.643 5.317 ( -1.006 5.722 -1.030) 5.900 6.682 ( -0.153 -0.080 0.274) 0.324 6.696 ( -0.412 -0.527 -0.132) 0.682 6.786 ( -0.394 -0.113 1.907) 1.950 6.789 ( -0.128 -0.220 -1.545) 1.565 7.117 ( 0.491 -0.204 0.071) 0.536 7.121 ( 0.466 -0.252 -0.142) 0.548 ======================= Grid point 138 (63/75) ======================= q-point: ( 0.43 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 7.772 1.207 4.867) 9.249 0.757 ( 4.789 4.205 1.487) 6.544 0.870 ( 4.988 2.442 -2.469) 6.078 0.942 ( 5.922 1.972 2.855) 6.864 0.975 ( -0.906 7.789 2.563) 8.250 1.041 ( -1.852 2.088 -2.830) 3.975 1.102 ( -4.784 3.348 0.112) 5.840 1.130 ( -3.230 0.002 0.049) 3.231 1.218 ( 0.009 1.860 -5.177) 5.501 1.268 ( -4.159 0.806 4.249) 6.000 1.392 ( 2.906 -0.258 -1.070) 3.108 1.427 ( 3.323 4.193 -1.838) 5.657 1.444 ( 0.514 -1.696 -1.719) 2.469 1.508 ( -1.719 1.298 1.494) 2.622 1.561 ( 5.301 -1.034 -1.287) 5.552 1.585 ( -1.776 1.291 0.180) 2.203 1.612 ( -2.399 -0.670 0.634) 2.570 1.665 ( -5.210 0.810 -1.784) 5.566 1.781 ( 1.553 0.063 0.716) 1.711 1.819 ( -2.973 1.140 -0.239) 3.193 1.866 ( 3.232 -0.932 1.563) 3.709 1.932 ( -2.523 -1.497 -1.258) 3.192 1.992 ( 1.628 2.470 -1.704) 3.414 2.001 ( -0.573 2.629 3.005) 4.033 2.076 ( 0.890 1.333 -1.464) 2.171 2.099 ( -1.526 1.935 1.024) 2.669 2.502 ( 1.694 -0.355 -0.787) 1.901 2.535 ( -1.777 0.805 1.576) 2.508 2.616 ( 1.639 -1.067 1.301) 2.349 2.659 ( -2.404 -1.207 -2.074) 3.397 2.797 ( 1.693 -2.345 -1.990) 3.511 2.861 ( -3.769 -3.294 0.551) 5.036 2.925 ( 0.450 -4.073 0.410) 4.118 2.944 ( -1.214 -4.283 -0.883) 4.539 3.082 ( 2.763 0.332 2.904) 4.022 3.117 ( 1.776 0.490 -0.469) 1.901 3.154 ( 0.145 0.048 -1.072) 1.082 3.166 ( -1.935 -0.946 -1.633) 2.703 3.277 ( 1.537 -0.368 2.315) 2.803 3.332 ( -2.811 0.975 0.482) 3.014 3.435 ( 1.304 1.260 2.624) 3.190 3.466 ( -1.688 1.692 -3.773) 4.466 3.823 ( 2.711 1.094 1.035) 3.101 3.901 ( -4.664 0.538 -1.918) 5.071 4.076 ( 1.647 -0.387 1.497) 2.259 4.083 ( 1.299 -0.273 -0.257) 1.352 4.320 ( 0.273 -0.460 0.808) 0.969 4.362 ( -3.849 -1.832 -2.179) 4.787 4.776 ( 4.001 -1.068 1.629) 4.450 4.854 ( -3.148 -1.268 -2.469) 4.197 5.174 ( 0.441 6.497 0.433) 6.527 5.197 ( -1.637 6.516 -0.374) 6.729 5.287 ( 0.206 4.694 0.588) 4.735 5.298 ( -0.763 4.693 -0.816) 4.824 6.682 ( 0.125 -0.115 0.263) 0.313 6.687 ( -0.401 -0.251 -0.254) 0.537 6.785 ( -0.127 -0.257 2.140) 2.159 6.786 ( 0.059 -0.258 -1.998) 2.015 7.125 ( 0.289 -0.235 -0.011) 0.373 7.127 ( 0.125 -0.258 -0.027) 0.288 ======================= Grid point 142 (64/75) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -5.830 7.445 -1.772) 9.620 0.600 ( 5.830 7.445 1.772) 9.620 0.772 ( -5.767 9.187 -3.608) 11.432 0.772 ( 5.767 9.187 3.608) 11.432 1.129 ( 0.465 -2.299 -3.387) 4.120 1.129 ( -0.465 -2.299 3.387) 4.120 1.168 ( 0.924 4.807 -2.765) 5.622 1.168 ( -0.924 4.807 2.765) 5.622 1.334 ( -2.095 2.850 -3.271) 4.818 1.334 ( 2.095 2.850 3.271) 4.818 1.358 ( -0.313 0.362 -3.332) 3.366 1.358 ( 0.313 0.362 3.332) 3.366 1.507 ( -0.123 2.763 -3.870) 4.757 1.507 ( 0.123 2.763 3.870) 4.757 1.598 ( -2.896 1.284 -0.363) 3.189 1.598 ( 2.896 1.284 0.363) 3.189 1.718 ( -2.342 0.751 -0.743) 2.569 1.718 ( 2.342 0.751 0.743) 2.569 1.802 ( -1.821 0.938 -1.403) 2.483 1.802 ( 1.821 0.938 1.403) 2.483 1.904 ( 1.248 -0.636 -0.764) 1.596 1.904 ( -1.248 -0.636 0.764) 1.596 2.061 ( 0.862 1.147 -1.506) 2.080 2.061 ( -0.862 1.147 1.506) 2.080 2.185 ( -1.256 4.379 -1.019) 4.668 2.185 ( 1.256 4.379 1.019) 4.668 2.477 ( -1.438 -3.178 -1.354) 3.742 2.477 ( 1.438 -3.178 1.354) 3.742 2.672 ( -0.935 -1.891 -2.282) 3.107 2.672 ( 0.935 -1.891 2.282) 3.107 2.774 ( -1.555 -4.225 -6.151) 7.623 2.774 ( 1.555 -4.225 6.151) 7.623 2.882 ( 0.033 -5.241 -1.652) 5.495 2.882 ( -0.033 -5.241 1.652) 5.495 3.051 ( -1.570 0.710 -1.692) 2.415 3.051 ( 1.570 0.710 1.692) 2.415 3.235 ( -0.522 0.733 -2.073) 2.260 3.235 ( 0.522 0.733 2.073) 2.260 3.311 ( -3.261 3.001 -1.401) 4.648 3.311 ( 3.261 3.001 1.401) 4.648 3.488 ( -3.161 -0.123 -2.109) 3.802 3.488 ( 3.161 -0.123 2.109) 3.802 3.943 ( -1.062 -0.173 -1.456) 1.810 3.943 ( 1.062 -0.173 1.456) 1.810 4.002 ( -3.320 -2.760 -3.670) 5.667 4.002 ( 3.320 -2.760 3.670) 5.667 4.421 ( -0.505 -1.837 -0.058) 1.906 4.421 ( 0.505 -1.837 0.058) 1.906 4.714 ( -3.223 -1.732 -1.574) 3.983 4.714 ( 3.223 -1.732 1.574) 3.983 5.376 ( -0.592 5.891 -0.512) 5.943 5.376 ( 0.592 5.891 0.512) 5.943 5.431 ( 0.291 3.364 -2.072) 3.961 5.431 ( -0.291 3.364 2.072) 3.961 6.695 ( 0.223 0.501 -0.707) 0.895 6.695 ( -0.223 0.501 0.707) 0.895 6.793 ( 0.258 -0.458 -2.763) 2.813 6.793 ( -0.258 -0.458 2.763) 2.813 7.102 ( 0.077 -0.260 -0.251) 0.369 7.102 ( -0.077 -0.260 0.251) 0.369 ======================= Grid point 144 (65/75) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.481 ( -2.611 9.241 -2.974) 10.053 0.694 ( 4.511 7.069 -3.426) 9.058 0.716 ( 0.778 10.429 2.228) 10.693 0.892 ( 4.250 6.452 6.507) 10.101 1.089 ( -2.583 1.164 1.484) 3.198 1.148 ( -2.478 -0.171 -2.866) 3.792 1.167 ( 2.659 -2.403 -1.109) 3.752 1.209 ( 3.043 2.283 1.117) 3.964 1.317 ( -0.130 3.126 -0.677) 3.202 1.346 ( 3.234 1.945 -1.442) 4.040 1.373 ( -0.028 0.613 0.243) 0.660 1.397 ( 1.622 2.314 -0.172) 2.831 1.463 ( -4.948 1.551 2.389) 5.710 1.498 ( 0.241 2.654 1.432) 3.026 1.574 ( -0.189 5.836 1.059) 5.934 1.652 ( -0.023 0.097 -3.859) 3.861 1.685 ( 1.248 0.355 1.238) 1.794 1.716 ( -4.190 -0.107 -1.311) 4.391 1.747 ( 0.812 1.595 -0.159) 1.797 1.847 ( 1.829 1.292 -1.466) 2.677 1.880 ( -0.885 -1.851 2.365) 3.131 1.927 ( 0.346 0.596 -0.093) 0.696 2.026 ( -1.956 1.273 -0.754) 2.452 2.080 ( 0.386 0.994 -0.376) 1.130 2.146 ( -2.591 2.849 -1.647) 4.189 2.206 ( 0.523 5.109 1.155) 5.264 2.445 ( -0.816 -2.114 -0.473) 2.315 2.521 ( 1.847 -2.387 0.236) 3.027 2.636 ( -1.788 -1.884 -0.901) 2.749 2.711 ( 2.338 -2.319 -0.803) 3.389 2.727 ( -1.950 -2.946 -4.031) 5.360 2.813 ( 0.444 -6.296 4.587) 7.803 2.868 ( -1.455 -4.031 -0.306) 4.296 2.877 ( -0.414 -5.698 0.026) 5.713 3.034 ( 0.747 1.918 -0.519) 2.123 3.081 ( 0.730 0.557 0.887) 1.276 3.202 ( -1.936 1.261 -2.058) 3.095 3.229 ( -1.063 1.937 -1.033) 2.439 3.272 ( -0.706 1.546 2.433) 2.968 3.372 ( 2.416 2.051 2.306) 3.919 3.425 ( -2.817 -0.325 -0.574) 2.893 3.547 ( 1.760 -0.441 1.164) 2.156 3.864 ( -4.515 -1.296 -5.005) 6.863 3.960 ( 1.421 0.968 1.066) 2.023 3.984 ( 0.984 -0.930 0.122) 1.359 4.048 ( 0.092 -2.278 2.272) 3.219 4.388 ( -2.775 -1.316 -0.589) 3.127 4.421 ( -0.413 -2.059 0.170) 2.107 4.677 ( -0.310 -1.015 -1.075) 1.510 4.791 ( 3.879 -2.539 0.762) 4.699 5.345 ( -2.139 5.682 -0.094) 6.072 5.375 ( -0.883 6.202 -0.516) 6.286 5.408 ( -1.048 3.495 0.503) 3.684 5.439 ( -0.323 4.019 -0.938) 4.140 6.690 ( -0.284 0.668 0.615) 0.951 6.696 ( 0.027 0.343 -0.659) 0.743 6.789 ( -0.578 -0.416 2.525) 2.623 6.791 ( -0.053 -0.283 -2.304) 2.322 7.104 ( 0.319 -0.246 0.165) 0.435 7.107 ( 0.426 -0.303 -0.178) 0.552 ======================= Grid point 145 (66/75) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.577 ( 10.615 7.597 6.853) 14.743 0.757 ( 4.463 7.887 -0.291) 9.067 0.814 ( 7.268 6.611 -2.375) 10.107 0.938 ( -0.537 3.906 5.155) 6.490 1.077 ( 0.913 4.294 3.063) 5.353 1.090 ( -1.339 -0.141 -3.420) 3.676 1.194 ( -0.778 2.340 -0.254) 2.479 1.255 ( 1.612 -3.072 -0.303) 3.482 1.317 ( -1.918 3.673 -0.620) 4.189 1.360 ( -1.657 -0.468 0.423) 1.773 1.364 ( -2.558 2.923 3.122) 4.983 1.416 ( -1.373 2.662 -2.566) 3.944 1.423 ( 1.640 0.784 -1.369) 2.276 1.453 ( 1.566 -1.177 -3.144) 3.705 1.587 ( -3.916 2.062 -2.961) 5.325 1.619 ( 1.329 2.928 1.437) 3.522 1.676 ( -1.828 0.417 -0.032) 1.875 1.724 ( 2.440 2.837 1.678) 4.101 1.778 ( 2.449 0.046 -0.801) 2.577 1.814 ( -4.048 -1.642 -1.016) 4.485 1.893 ( 0.478 1.040 0.987) 1.511 1.933 ( -1.079 -0.698 2.091) 2.454 2.003 ( 1.438 3.377 -2.379) 4.374 2.071 ( -2.000 1.634 1.477) 2.975 2.102 ( -0.030 2.208 -2.905) 3.649 2.203 ( -0.982 5.521 1.790) 5.886 2.448 ( 1.330 -0.787 -0.519) 1.630 2.547 ( 1.124 -1.015 -0.053) 1.516 2.600 ( -1.821 -0.934 0.072) 2.048 2.687 ( -1.518 -1.952 -2.905) 3.815 2.739 ( -1.173 -3.881 -2.005) 4.523 2.807 ( 0.776 -5.434 1.263) 5.633 2.838 ( -1.806 -5.625 0.765) 5.957 2.873 ( -0.105 -3.849 0.896) 3.953 3.072 ( 0.945 1.428 -0.550) 1.798 3.083 ( 1.473 1.389 1.365) 2.441 3.177 ( -0.462 1.874 -0.743) 2.068 3.201 ( -1.795 1.063 -1.507) 2.573 3.270 ( -0.105 0.999 2.219) 2.436 3.376 ( -1.729 0.115 2.341) 2.913 3.419 ( 1.666 0.403 0.684) 1.846 3.541 ( -2.147 -0.322 -2.127) 3.040 3.809 ( -0.506 -0.183 -1.047) 1.177 3.967 ( -1.868 -0.994 0.402) 2.154 4.030 ( 2.423 -0.788 1.164) 2.801 4.039 ( 0.816 0.107 0.058) 0.825 4.332 ( -2.381 -0.878 0.090) 2.539 4.397 ( -2.222 -1.326 -0.689) 2.678 4.698 ( 2.454 -0.287 0.228) 2.481 4.844 ( 1.263 -2.449 -0.887) 2.895 5.307 ( -1.433 6.026 0.109) 6.195 5.350 ( -1.473 5.826 -0.523) 6.032 5.392 ( -0.739 4.341 0.255) 4.411 5.420 ( -1.338 4.722 -0.868) 4.984 6.687 ( -0.178 0.725 0.585) 0.948 6.693 ( -0.174 0.361 -0.653) 0.766 6.782 ( -0.451 -0.272 2.134) 2.198 6.786 ( -0.081 -0.191 -1.901) 1.913 7.113 ( 0.457 -0.270 0.062) 0.535 7.115 ( 0.438 -0.340 -0.093) 0.562 ======================= Grid point 146 (67/75) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 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| 0.768 ( 6.377 6.247 4.510) 10.001 0.852 ( 0.030 6.156 -1.798) 6.413 0.940 ( 4.601 4.005 2.448) 6.573 0.972 ( 9.122 2.414 1.240) 9.517 1.054 ( -3.137 1.495 -0.545) 3.518 1.132 ( 4.358 5.834 2.758) 7.786 1.154 ( -4.620 2.798 0.290) 5.409 1.235 ( -5.261 7.315 -1.065) 9.073 1.264 ( 0.596 1.949 -4.933) 5.338 1.295 ( -3.411 1.613 2.935) 4.780 1.345 ( 0.448 -1.924 -1.493) 2.476 1.382 ( -1.719 -3.092 0.496) 3.572 1.480 ( 1.637 -1.843 0.311) 2.485 1.493 ( 1.840 -1.252 -1.194) 2.526 1.561 ( 2.362 0.772 -2.735) 3.695 1.609 ( -1.140 -0.462 -0.563) 1.353 1.633 ( -1.907 2.244 0.697) 3.026 1.677 ( -5.396 1.134 -1.026) 5.608 1.796 ( 2.027 1.369 -1.208) 2.728 1.848 ( 3.679 -0.134 0.777) 3.762 1.855 ( -3.793 2.637 1.010) 4.729 1.903 ( -1.865 -0.864 0.343) 2.084 2.038 ( 1.178 1.958 -3.469) 4.154 2.045 ( -0.699 1.761 3.601) 4.069 2.134 ( 2.920 4.649 -0.752) 5.541 2.180 ( -1.772 5.909 1.485) 6.345 2.495 ( 3.260 0.015 -0.491) 3.297 2.548 ( -1.922 0.308 1.223) 2.299 2.590 ( 1.453 -1.379 0.019) 2.003 2.639 ( -3.250 -1.060 -1.191) 3.620 2.722 ( 1.747 -5.255 -1.853) 5.839 2.782 ( -3.696 -5.209 0.754) 6.431 2.845 ( 1.619 -3.743 -0.060) 4.078 2.868 ( -0.786 -3.633 0.443) 3.743 3.081 ( 1.797 0.175 1.763) 2.524 3.134 ( 0.372 1.148 -0.873) 1.489 3.146 ( -1.081 -0.214 -1.608) 1.950 3.174 ( -1.038 1.953 0.149) 2.217 3.289 ( 2.258 1.375 1.270) 2.933 3.344 ( -2.529 0.156 1.365) 2.878 3.450 ( 1.480 0.115 1.399) 2.040 3.488 ( -2.255 0.170 -3.052) 3.799 3.833 ( 2.629 -0.069 2.055) 3.338 3.903 ( -3.826 -0.341 -2.193) 4.423 4.059 ( 1.397 -1.602 1.878) 2.836 4.073 ( 0.640 -0.845 -1.095) 1.524 4.312 ( 0.281 -0.074 1.425) 1.455 4.344 ( -2.532 -0.087 -1.621) 3.008 4.763 ( 3.816 -0.321 1.815) 4.238 4.830 ( -2.308 -1.340 -2.151) 3.428 5.299 ( 0.523 6.173 0.267) 6.200 5.320 ( -1.454 5.990 -0.229) 6.168 5.384 ( -0.024 4.628 0.182) 4.631 5.394 ( -1.019 4.810 -0.554) 4.947 6.686 ( 0.007 0.671 0.600) 0.900 6.689 ( -0.175 0.526 -0.634) 0.842 6.780 ( -0.136 -0.244 1.812) 1.833 6.782 ( -0.022 -0.226 -1.719) 1.733 7.120 ( 0.250 -0.313 -0.003) 0.401 7.121 ( 0.137 -0.345 -0.016) 0.371 ======================= Grid point 150 (68/75) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.271 7.682 -3.754) 9.154 0.749 ( 3.271 7.682 3.754) 9.154 0.932 ( -3.304 6.874 -1.786) 7.833 0.932 ( 3.304 6.874 1.786) 7.833 1.078 ( -1.649 -1.829 -0.593) 2.533 1.078 ( 1.649 -1.829 0.593) 2.533 1.163 ( -3.046 -4.158 -3.921) 6.476 1.163 ( 3.046 -4.158 3.921) 6.476 1.322 ( 0.230 -1.624 -2.200) 2.744 1.322 ( -0.230 -1.624 2.200) 2.744 1.424 ( -0.701 4.032 -0.249) 4.100 1.424 ( 0.701 4.032 0.249) 4.100 1.574 ( -1.678 0.710 -1.640) 2.451 1.574 ( 1.678 0.710 1.640) 2.451 1.624 ( -2.900 2.356 -0.200) 3.741 1.624 ( 2.900 2.356 0.200) 3.741 1.744 ( 0.182 2.944 -1.406) 3.268 1.744 ( -0.182 2.944 1.406) 3.268 1.806 ( -1.567 -0.236 -1.580) 2.238 1.806 ( 1.567 -0.236 1.580) 2.238 1.927 ( -0.515 1.980 -0.708) 2.165 1.927 ( 0.515 1.980 0.708) 2.165 2.088 ( 0.274 2.095 -3.525) 4.110 2.088 ( -0.274 2.095 3.525) 4.110 2.228 ( -1.428 -0.668 -1.826) 2.412 2.228 ( 1.428 -0.668 1.826) 2.412 2.452 ( -1.180 0.974 -2.377) 2.827 2.452 ( 1.180 0.974 2.377) 2.827 2.629 ( -2.231 -3.459 -5.208) 6.639 2.629 ( 2.231 -3.459 5.208) 6.639 2.685 ( -0.813 -3.071 -4.086) 5.176 2.685 ( 0.813 -3.071 4.086) 5.176 2.810 ( 0.019 -2.844 -1.641) 3.284 2.810 ( -0.019 -2.844 1.641) 3.284 3.086 ( -0.696 2.456 -1.497) 2.960 3.086 ( 0.696 2.456 1.497) 2.960 3.255 ( -0.513 1.503 -1.642) 2.284 3.255 ( 0.513 1.503 1.642) 2.284 3.361 ( -2.151 1.933 -0.433) 2.925 3.361 ( 2.151 1.933 0.433) 2.925 3.461 ( -2.734 -2.435 -1.464) 3.943 3.461 ( 2.734 -2.435 1.464) 3.943 3.937 ( -3.097 -0.091 -4.244) 5.254 3.937 ( 3.097 -0.091 4.244) 5.254 3.971 ( -2.283 -1.057 -1.743) 3.060 3.971 ( 2.283 -1.057 1.743) 3.060 4.405 ( -0.764 -0.227 -0.541) 0.963 4.405 ( 0.764 -0.227 0.541) 0.963 4.679 ( -2.113 -1.732 -0.925) 2.884 4.679 ( 2.113 -1.732 0.925) 2.884 5.438 ( -0.484 0.836 -0.950) 1.355 5.438 ( 0.484 0.836 0.950) 1.355 5.496 ( -0.819 3.490 -0.782) 3.670 5.496 ( 0.819 3.490 0.782) 3.670 6.712 ( 0.094 1.207 -0.814) 1.459 6.712 ( -0.094 1.207 0.814) 1.459 6.784 ( 0.221 -0.524 -1.716) 1.808 6.784 ( -0.221 -0.524 1.716) 1.808 7.097 ( 0.032 -0.184 -0.139) 0.233 7.097 ( -0.032 -0.184 0.139) 0.233 ======================= Grid point 152 (69/75) ======================= q-point: ( 0.14 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -1.915 10.028 -2.407) 10.489 0.830 ( 3.671 6.707 -0.051) 7.646 0.896 ( 0.470 7.293 -0.189) 7.311 0.995 ( 3.159 2.823 2.235) 4.790 1.028 ( -3.477 -4.644 -1.192) 5.923 1.115 ( 2.151 -3.236 0.783) 3.964 1.152 ( 1.219 1.192 1.499) 2.270 1.222 ( 1.635 -1.113 1.709) 2.614 1.323 ( 0.242 -1.280 1.144) 1.734 1.340 ( 2.247 -1.029 -1.120) 2.713 1.426 ( 0.451 3.044 -1.042) 3.249 1.435 ( -0.237 1.865 -2.569) 3.183 1.497 ( -4.069 1.408 1.066) 4.436 1.557 ( -3.420 1.579 -0.866) 3.865 1.642 ( 3.052 0.181 0.548) 3.106 1.675 ( -2.688 -0.042 -1.123) 2.913 1.698 ( 0.663 5.261 -0.353) 5.314 1.738 ( -1.059 0.318 -0.483) 1.206 1.781 ( -0.004 2.287 1.372) 2.667 1.819 ( -0.933 -1.511 1.491) 2.318 1.923 ( 1.164 3.279 0.846) 3.581 1.939 ( -0.385 0.784 -0.712) 1.127 2.079 ( -0.405 3.953 -0.394) 3.993 2.089 ( -0.032 1.234 -0.722) 1.430 2.190 ( -1.962 1.291 -2.392) 3.352 2.255 ( 1.007 -0.929 2.284) 2.663 2.447 ( 0.760 1.283 -1.649) 2.223 2.495 ( 2.439 0.878 2.103) 3.338 2.584 ( -1.279 -3.840 -4.508) 6.058 2.655 ( -1.532 -2.216 -3.752) 4.618 2.681 ( 2.264 -2.657 2.681) 4.402 2.696 ( -0.337 -4.254 3.179) 5.321 2.791 ( -1.659 -3.057 0.466) 3.509 2.809 ( -0.245 -2.957 -1.390) 3.276 3.086 ( 1.061 2.946 0.407) 3.157 3.107 ( 0.705 1.878 1.158) 2.316 3.232 ( -1.282 2.233 -1.691) 3.080 3.258 ( -0.336 1.109 0.851) 1.438 3.321 ( -1.864 2.971 0.509) 3.544 3.396 ( 1.327 0.211 0.798) 1.563 3.405 ( -2.572 -1.204 -0.093) 2.842 3.504 ( 1.112 -3.839 0.603) 4.042 3.857 ( -3.410 0.660 -3.647) 5.036 3.945 ( -0.674 -2.547 0.134) 2.638 3.988 ( 2.141 1.122 2.217) 3.280 4.024 ( 1.708 -0.542 1.745) 2.501 4.370 ( -2.433 -0.192 -0.583) 2.509 4.401 ( -0.950 -0.886 0.010) 1.299 4.667 ( 0.936 0.179 -0.296) 0.997 4.738 ( 3.329 -2.988 0.555) 4.507 5.415 ( -1.331 1.862 -0.768) 2.414 5.440 ( -0.469 0.381 -0.584) 0.840 5.476 ( -1.031 4.244 -0.013) 4.367 5.504 ( -0.270 2.692 0.613) 2.774 6.711 ( -0.176 1.310 0.585) 1.445 6.712 ( -0.039 1.133 -0.636) 1.300 6.781 ( -0.371 -0.461 1.555) 1.664 6.784 ( 0.001 -0.488 -1.464) 1.544 7.100 ( 0.327 -0.161 0.071) 0.371 7.101 ( 0.379 -0.220 -0.075) 0.445 ======================= Grid point 153 (70/75) ======================= q-point: ( 0.29 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 8.491 8.547 4.930) 13.018 0.894 ( 3.384 6.242 0.781) 7.143 0.942 ( 3.949 5.536 -2.427) 7.220 0.988 ( -0.473 -0.158 1.700) 1.771 1.065 ( 3.030 -0.226 1.233) 3.279 1.149 ( -0.333 0.574 1.279) 1.441 1.173 ( 3.054 -2.303 3.057) 4.896 1.244 ( 0.010 1.451 1.490) 2.080 1.327 ( -0.421 -0.676 -1.239) 1.473 1.376 ( 1.214 1.138 -2.258) 2.805 1.406 ( -2.512 -0.499 -4.091) 4.826 1.416 ( -1.174 -1.028 -0.712) 1.715 1.442 ( -0.998 2.525 1.230) 2.981 1.479 ( -3.748 3.569 -1.825) 5.488 1.610 ( -2.210 0.883 -1.685) 2.916 1.650 ( -4.369 0.105 -0.579) 4.408 1.685 ( -1.184 -1.720 0.392) 2.125 1.746 ( 0.645 0.954 -1.601) 1.972 1.775 ( -1.513 -2.161 -1.324) 2.951 1.826 ( 2.878 3.638 3.220) 5.647 1.919 ( -1.110 1.061 -0.339) 1.573 1.947 ( -0.131 1.286 2.297) 2.636 2.073 ( 0.033 3.855 -2.189) 4.433 2.093 ( -0.196 2.075 0.375) 2.118 2.166 ( 1.029 3.871 -1.321) 4.218 2.271 ( 0.265 0.713 2.736) 2.840 2.471 ( 1.982 2.298 -1.012) 3.199 2.536 ( 1.464 0.654 0.190) 1.615 2.567 ( -0.101 -2.910 -1.836) 3.442 2.624 ( -0.831 -2.462 -2.633) 3.699 2.677 ( -2.250 -3.490 0.708) 4.212 2.728 ( 1.675 -3.511 2.270) 4.503 2.745 ( -1.924 -2.556 -0.861) 3.314 2.806 ( -0.082 -3.667 0.674) 3.729 3.107 ( -0.624 2.297 -0.450) 2.423 3.125 ( 2.528 2.419 1.383) 3.763 3.201 ( -1.955 1.664 -1.939) 3.217 3.248 ( -0.929 2.136 0.333) 2.353 3.298 ( -0.372 1.848 0.841) 2.064 3.365 ( -1.766 -0.394 2.329) 2.949 3.418 ( 1.021 -0.746 -0.153) 1.274 3.501 ( -1.205 -3.719 -1.031) 4.043 3.815 ( -0.422 1.396 -0.570) 1.566 3.935 ( -0.846 -2.816 0.682) 3.018 4.011 ( -0.200 -0.085 1.031) 1.054 4.046 ( 0.967 -0.196 -0.875) 1.319 4.327 ( -1.508 0.566 0.518) 1.692 4.378 ( -1.477 -1.159 0.008) 1.878 4.705 ( 2.752 1.117 0.448) 3.004 4.792 ( 1.958 -2.988 -0.489) 3.606 5.393 ( -0.666 2.964 -0.443) 3.070 5.426 ( -0.627 1.669 -1.042) 2.065 5.456 ( -1.118 3.272 0.352) 3.475 5.488 ( -1.345 2.355 0.284) 2.727 6.708 ( -0.164 1.365 0.481) 1.456 6.709 ( -0.096 1.152 -0.530) 1.271 6.776 ( -0.294 -0.361 1.332) 1.411 6.780 ( -0.104 -0.431 -1.237) 1.314 7.108 ( 0.428 -0.172 0.026) 0.462 7.110 ( 0.416 -0.243 -0.041) 0.484 ======================= Grid point 154 (71/75) ======================= q-point: ( 0.43 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 5.474 7.433 3.733) 9.957 0.975 ( -1.789 5.605 0.363) 5.895 0.999 ( 6.078 2.944 2.161) 7.091 1.027 ( 6.006 2.240 0.402) 6.423 1.083 ( -0.133 2.066 -0.264) 2.087 1.184 ( 2.358 0.620 2.828) 3.734 1.214 ( -1.182 0.760 1.147) 1.814 1.252 ( 1.845 -1.883 3.680) 4.526 1.291 ( -2.451 0.134 -4.052) 4.737 1.308 ( -4.804 -0.536 -5.831) 7.574 1.379 ( -0.451 3.710 -3.382) 5.041 1.392 ( -2.013 3.992 2.973) 5.369 1.446 ( 1.133 -0.214 4.104) 4.263 1.465 ( 1.207 -1.220 -2.702) 3.201 1.552 ( -2.370 -1.515 -4.811) 5.572 1.568 ( -3.236 -3.075 -0.074) 4.465 1.656 ( -0.425 -0.502 -1.329) 1.483 1.687 ( -3.343 -0.724 1.674) 3.808 1.826 ( 3.924 2.014 -1.803) 4.765 1.871 ( 1.119 2.285 0.735) 2.648 1.896 ( -1.513 1.091 1.433) 2.352 1.920 ( -2.301 1.512 0.822) 2.873 2.071 ( 0.193 1.871 -2.616) 3.222 2.076 ( -0.799 2.084 1.015) 2.452 2.225 ( 3.488 4.136 0.994) 5.501 2.269 ( -1.069 2.595 1.123) 3.023 2.516 ( 2.527 2.028 -0.568) 3.290 2.546 ( -0.561 -0.310 0.303) 0.709 2.571 ( 0.920 -0.488 -0.469) 1.142 2.612 ( -2.779 -1.773 -0.706) 3.371 2.636 ( 1.587 -2.713 -0.939) 3.281 2.688 ( -2.902 -4.079 0.323) 5.016 2.782 ( 1.993 -2.959 0.176) 3.572 2.803 ( -0.524 -3.367 1.358) 3.668 3.101 ( 0.722 1.991 0.386) 2.153 3.142 ( -2.670 0.663 -2.067) 3.442 3.181 ( 2.199 2.575 0.897) 3.503 3.222 ( -1.729 2.547 -0.402) 3.105 3.311 ( 1.409 0.570 -0.211) 1.534 3.339 ( -1.568 -0.198 2.353) 2.834 3.439 ( 1.211 -1.191 0.055) 1.699 3.468 ( -1.710 -2.163 -1.302) 3.049 3.836 ( 2.282 0.960 1.715) 3.012 3.895 ( -3.066 -0.408 -1.475) 3.427 4.021 ( 1.190 -2.125 1.573) 2.900 4.046 ( -0.783 -2.037 -1.834) 2.850 4.321 ( 0.584 0.934 1.416) 1.794 4.346 ( -1.593 0.015 -0.810) 1.787 4.763 ( 2.786 0.306 1.249) 3.069 4.802 ( -0.779 -1.575 -1.331) 2.205 5.393 ( 0.645 3.636 0.070) 3.694 5.411 ( -0.982 3.552 -0.591) 3.733 5.443 ( 0.116 1.766 0.141) 1.775 5.460 ( -1.399 2.006 0.042) 2.446 6.706 ( -0.067 1.340 0.426) 1.407 6.707 ( -0.046 1.248 -0.443) 1.325 6.775 ( -0.082 -0.342 1.133) 1.186 6.777 ( -0.073 -0.384 -1.096) 1.164 7.115 ( 0.210 -0.206 -0.004) 0.294 7.115 ( 0.153 -0.237 -0.006) 0.282 ======================= Grid point 158 (72/75) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.000 -0.000 0.000) 0.000 0.840 ( -0.000 0.000 0.000) 0.000 0.999 ( -0.000 0.000 -0.000) 0.000 0.999 ( -0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.092 ( -0.000 -0.000 -0.000) 0.000 1.092 ( 0.000 0.000 0.000) 0.000 1.304 ( -0.000 0.000 0.000) 0.000 1.304 ( -0.000 0.000 0.000) 0.000 1.477 ( -0.000 -0.000 0.000) 0.000 1.477 ( -0.000 0.000 0.000) 0.000 1.542 ( -0.000 -0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.673 ( -0.000 -0.000 0.000) 0.000 1.673 ( -0.000 0.000 0.000) 0.000 1.760 ( 0.000 -0.000 0.000) 0.000 1.760 ( -0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.945 ( -0.000 0.000 0.000) 0.000 1.945 ( -0.000 0.000 0.000) 0.000 2.160 ( 0.000 -0.000 -0.000) 0.000 2.160 ( 0.000 0.000 -0.000) 0.000 2.161 ( -0.000 -0.000 0.000) 0.000 2.161 ( -0.000 0.000 0.000) 0.000 2.483 ( -0.000 -0.000 -0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.778 ( -0.000 0.000 0.000) 0.000 2.778 ( -0.000 0.000 0.000) 0.000 3.115 ( -0.000 -0.000 0.000) 0.000 3.115 ( -0.000 0.000 0.000) 0.000 3.277 ( -0.000 0.000 0.000) 0.000 3.277 ( -0.000 0.000 0.000) 0.000 3.380 ( -0.000 0.000 0.000) 0.000 3.380 ( -0.000 0.000 0.000) 0.000 3.427 ( 0.000 -0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 -0.000 0.000) 0.000 3.955 ( -0.000 0.000 -0.000) 0.000 3.955 ( -0.000 0.000 0.000) 0.000 4.404 ( -0.000 0.000 0.000) 0.000 4.404 ( -0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 5.442 ( -0.000 0.000 0.000) 0.000 5.442 ( -0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.531 ( -0.000 0.000 0.000) 0.000 6.727 ( -0.000 0.000 -0.000) 0.000 6.727 ( -0.000 0.000 0.000) 0.000 6.777 ( -0.000 -0.000 0.000) 0.000 6.777 ( -0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (73/75) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.102 -8.138 -1.915) 8.361 0.843 ( 0.102 8.138 -1.915) 8.361 0.952 ( -0.534 -3.155 -0.538) 3.244 0.952 ( -0.534 3.155 -0.538) 3.244 1.065 ( 1.211 -2.451 0.674) 2.816 1.065 ( 1.211 2.451 0.674) 2.816 1.182 ( 3.158 -2.193 3.984) 5.537 1.182 ( 3.158 2.193 3.984) 5.537 1.318 ( 1.580 -0.741 -0.864) 1.947 1.318 ( 1.580 0.741 -0.864) 1.947 1.460 ( -1.642 -0.583 -2.839) 3.331 1.460 ( -1.642 0.583 -2.839) 3.331 1.528 ( -1.456 -2.711 -0.003) 3.078 1.528 ( -1.456 2.711 -0.003) 3.078 1.670 ( -0.680 -1.579 0.026) 1.719 1.670 ( -0.680 1.579 0.026) 1.719 1.744 ( -1.694 -1.906 1.894) 3.177 1.744 ( -1.694 1.906 1.894) 3.177 1.803 ( -0.733 -2.432 -0.425) 2.576 1.803 ( -0.733 2.432 -0.425) 2.576 1.949 ( 0.014 -0.620 -0.409) 0.743 1.949 ( 0.014 0.620 -0.409) 0.743 2.154 ( -0.651 -0.947 -1.350) 1.773 2.154 ( -0.651 0.947 -1.350) 1.773 2.182 ( 2.016 -3.523 1.297) 4.261 2.182 ( 2.016 3.523 1.297) 4.261 2.481 ( 0.412 -3.308 -2.401) 4.108 2.481 ( 0.412 3.308 -2.401) 4.108 2.594 ( 0.991 -4.970 2.471) 5.638 2.594 ( 0.991 4.970 2.471) 5.638 2.658 ( -0.560 -1.746 -0.108) 1.837 2.658 ( -0.560 1.746 -0.108) 1.837 2.768 ( -0.909 -0.913 -1.529) 1.999 2.768 ( -0.909 0.913 -1.529) 1.999 3.124 ( 0.845 -0.657 1.161) 1.579 3.124 ( 0.845 0.657 1.161) 1.579 3.267 ( -0.978 -0.872 -0.573) 1.430 3.267 ( -0.978 0.872 -0.573) 1.430 3.368 ( -1.077 -2.310 0.726) 2.650 3.368 ( -1.077 2.310 0.726) 2.650 3.428 ( 0.036 -3.348 -0.095) 3.350 3.428 ( 0.036 3.348 -0.095) 3.350 3.891 ( -2.088 -2.744 -1.711) 3.850 3.891 ( -2.088 2.744 -1.711) 3.850 4.010 ( 2.191 -1.071 2.375) 3.404 4.010 ( 2.191 1.071 2.375) 3.404 4.381 ( -1.852 -1.102 -0.600) 2.237 4.381 ( -1.852 1.102 -0.600) 2.237 4.688 ( 2.414 -2.035 0.322) 3.174 4.688 ( 2.414 2.035 0.322) 3.174 5.436 ( -0.510 -0.659 -0.620) 1.039 5.436 ( -0.510 0.659 -0.620) 1.039 5.524 ( -0.811 -0.738 0.302) 1.137 5.524 ( -0.811 0.738 0.302) 1.137 6.727 ( -0.093 -0.027 0.016) 0.098 6.727 ( -0.093 0.027 0.016) 0.098 6.775 ( -0.142 -0.127 -0.006) 0.191 6.775 ( -0.142 0.127 -0.006) 0.191 7.099 ( 0.347 -0.030 -0.001) 0.348 7.099 ( 0.347 0.030 -0.001) 0.348 ======================= Grid point 164 (74/75) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 5.360 -7.316 2.401) 9.382 0.885 ( 5.360 7.316 2.401) 9.382 0.987 ( 2.931 -2.484 0.475) 3.872 0.987 ( 2.931 2.484 0.475) 3.872 1.098 ( 1.582 -2.708 1.515) 3.483 1.098 ( 1.582 2.708 1.515) 3.483 1.211 ( 0.255 -3.850 1.573) 4.167 1.211 ( 0.255 3.850 1.573) 4.167 1.347 ( 0.490 -1.789 -3.049) 3.569 1.347 ( 0.490 1.789 -3.049) 3.569 1.416 ( -1.090 -0.877 -1.573) 2.106 1.416 ( -1.090 0.877 -1.573) 2.106 1.496 ( -1.700 -2.417 0.542) 3.004 1.496 ( -1.700 2.417 0.542) 3.004 1.633 ( -4.478 -1.096 -3.853) 6.008 1.633 ( -4.478 1.096 -3.853) 6.008 1.686 ( -2.725 -3.120 1.958) 4.581 1.686 ( -2.725 3.120 1.958) 4.581 1.825 ( 2.240 -2.976 0.869) 3.825 1.825 ( 2.240 2.976 0.869) 3.825 1.942 ( -0.594 -1.375 -0.012) 1.498 1.942 ( -0.594 1.375 -0.012) 1.498 2.129 ( -1.493 -0.996 -2.030) 2.710 2.129 ( -1.493 0.996 -2.030) 2.710 2.233 ( 2.571 -3.733 2.307) 5.086 2.233 ( 2.571 3.733 2.307) 5.086 2.502 ( 2.064 -2.485 -1.631) 3.619 2.502 ( 2.064 2.485 -1.631) 3.619 2.597 ( -0.896 -3.333 0.122) 3.454 2.597 ( -0.896 3.333 0.122) 3.454 2.653 ( -0.349 -3.173 1.043) 3.359 2.653 ( -0.349 3.173 1.043) 3.359 2.748 ( -0.443 -2.015 -0.562) 2.138 2.748 ( -0.443 2.015 -0.562) 2.138 3.143 ( 0.625 -0.854 0.396) 1.130 3.143 ( 0.625 0.854 0.396) 1.130 3.241 ( -1.368 -2.194 -0.524) 2.638 3.241 ( -1.368 2.194 -0.524) 2.638 3.348 ( -1.058 -2.866 0.993) 3.213 3.348 ( -1.058 2.866 0.993) 3.213 3.427 ( -0.019 -3.034 -0.304) 3.050 3.427 ( -0.019 3.034 -0.304) 3.050 3.867 ( -0.303 -3.785 0.391) 3.818 3.867 ( -0.303 3.785 0.391) 3.818 4.028 ( -0.450 -1.443 -0.344) 1.550 4.028 ( -0.450 1.443 -0.344) 1.550 4.350 ( -1.086 -1.603 0.386) 1.974 4.350 ( -1.086 1.603 0.386) 1.974 4.739 ( 2.551 -2.434 0.081) 3.527 4.739 ( 2.551 2.434 0.081) 3.527 5.428 ( -0.027 -0.988 -0.645) 1.181 5.428 ( -0.027 0.988 -0.645) 1.181 5.501 ( -1.599 -1.020 0.272) 1.916 5.501 ( -1.599 1.020 0.272) 1.916 6.724 ( -0.107 -0.031 0.020) 0.113 6.724 ( -0.107 0.031 0.020) 0.113 6.772 ( -0.165 -0.163 -0.006) 0.232 6.772 ( -0.165 0.163 -0.006) 0.232 7.107 ( 0.413 -0.036 -0.006) 0.415 7.107 ( 0.413 0.036 -0.006) 0.415 ======================= Grid point 166 (75/75) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 3.516 -2.015 1.599) 4.357 1.003 ( 3.516 2.015 1.599) 4.357 1.046 ( 1.915 -0.068 2.026) 2.789 1.046 ( 1.915 0.068 2.026) 2.789 1.148 ( 5.772 -3.991 2.233) 7.365 1.148 ( 5.772 3.991 2.233) 7.365 1.215 ( 0.036 -2.448 0.783) 2.571 1.215 ( 0.036 2.448 0.783) 2.571 1.296 ( -5.087 -0.509 -4.436) 6.769 1.296 ( -5.087 0.509 -4.436) 6.769 1.436 ( 1.409 -0.982 0.471) 1.781 1.436 ( 1.409 0.982 0.471) 1.781 1.460 ( -2.212 -0.878 0.264) 2.395 1.460 ( -2.212 0.878 0.264) 2.395 1.525 ( -3.053 -0.387 -3.306) 4.517 1.525 ( -3.053 0.387 -3.306) 4.517 1.656 ( -1.153 -1.331 0.523) 1.837 1.656 ( -1.153 1.331 0.523) 1.837 1.872 ( 2.526 -2.275 0.393) 3.422 1.872 ( 2.526 2.275 0.393) 3.422 1.919 ( -1.970 -1.446 0.244) 2.456 1.919 ( -1.970 1.446 0.244) 2.456 2.103 ( -0.676 -0.351 -0.964) 1.229 2.103 ( -0.676 0.351 -0.964) 1.229 2.274 ( 1.128 -1.366 1.163) 2.119 2.274 ( 1.128 1.366 1.163) 2.119 2.536 ( 0.870 -0.599 -0.498) 1.168 2.536 ( 0.870 0.599 -0.498) 1.168 2.590 ( 0.960 -1.924 -0.148) 2.156 2.590 ( 0.960 1.924 -0.148) 2.156 2.630 ( -1.865 -2.421 -0.264) 3.067 2.630 ( -1.865 2.421 -0.264) 3.067 2.756 ( 0.633 -0.868 0.915) 1.411 2.756 ( 0.633 0.868 0.915) 1.411 3.140 ( -0.537 -1.434 -0.695) 1.681 3.140 ( -0.537 1.434 -0.695) 1.681 3.226 ( -0.163 -1.969 0.188) 1.985 3.226 ( -0.163 1.969 0.188) 1.985 3.332 ( -0.560 -1.401 0.433) 1.570 3.332 ( -0.560 1.401 0.433) 1.570 3.427 ( 0.060 -1.051 -0.188) 1.070 3.427 ( 0.060 1.051 -0.188) 1.070 3.872 ( 0.365 -2.231 0.842) 2.412 3.872 ( 0.365 2.231 0.842) 2.412 4.008 ( -0.881 -1.245 -0.997) 1.822 4.008 ( -0.881 1.245 -0.997) 1.822 4.339 ( -0.254 -0.764 0.432) 0.914 4.339 ( -0.254 0.764 0.432) 0.914 4.776 ( 1.078 -1.095 -0.019) 1.537 4.776 ( 1.078 1.095 -0.019) 1.537 5.436 ( 0.842 -0.926 -0.341) 1.298 5.436 ( 0.842 0.926 -0.341) 1.298 5.469 ( -1.563 -0.919 0.184) 1.822 5.469 ( -1.563 0.919 0.184) 1.822 6.723 ( -0.045 -0.013 0.009) 0.048 6.723 ( -0.045 0.013 0.009) 0.048 6.770 ( -0.069 -0.074 -0.002) 0.101 6.770 ( -0.069 0.074 -0.002) 0.101 7.113 ( 0.178 -0.016 -0.004) 0.178 7.113 ( 0.178 0.016 -0.004) 0.178 =================== 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 3/13440 10.0 5.937 8.870 6.113 0.000 0.714 0.000 3/13440 20.0 1.512 2.312 1.538 0.000 0.204 0.000 3/13440 30.0 0.852 1.293 0.866 0.000 0.119 0.000 3/13440 40.0 0.608 0.922 0.619 0.000 0.089 0.000 3/13440 50.0 0.482 0.731 0.491 0.000 0.074 0.000 3/13440 60.0 0.404 0.614 0.411 0.000 0.065 0.000 3/13440 70.0 0.350 0.533 0.355 0.000 0.058 0.000 3/13440 80.0 0.310 0.474 0.314 0.000 0.052 0.000 3/13440 90.0 0.278 0.427 0.281 0.000 0.047 0.000 3/13440 100.0 0.253 0.389 0.255 0.000 0.044 0.000 3/13440 110.0 0.232 0.358 0.234 0.000 0.040 0.000 3/13440 120.0 0.214 0.331 0.215 0.000 0.037 0.000 3/13440 130.0 0.199 0.308 0.200 0.000 0.035 0.000 3/13440 140.0 0.186 0.289 0.186 0.000 0.033 0.000 3/13440 150.0 0.174 0.271 0.175 0.000 0.031 0.000 3/13440 160.0 0.164 0.256 0.164 0.000 0.029 0.000 3/13440 170.0 0.155 0.242 0.155 0.000 0.028 0.000 3/13440 180.0 0.147 0.230 0.147 0.000 0.026 0.000 3/13440 190.0 0.139 0.219 0.140 0.000 0.025 0.000 3/13440 200.0 0.133 0.209 0.133 0.000 0.024 0.000 3/13440 210.0 0.127 0.199 0.127 0.000 0.023 0.000 3/13440 220.0 0.121 0.191 0.121 0.000 0.022 0.000 3/13440 230.0 0.116 0.183 0.116 0.000 0.021 0.000 3/13440 240.0 0.112 0.176 0.112 0.000 0.020 0.000 3/13440 250.0 0.107 0.169 0.107 0.000 0.019 0.000 3/13440 260.0 0.103 0.163 0.103 0.000 0.019 0.000 3/13440 270.0 0.100 0.158 0.100 0.000 0.018 0.000 3/13440 280.0 0.096 0.152 0.096 0.000 0.017 0.000 3/13440 290.0 0.093 0.147 0.093 0.000 0.017 0.000 3/13440 300.0 0.090 0.143 0.090 0.000 0.016 0.000 3/13440 310.0 0.087 0.138 0.087 0.000 0.016 0.000 3/13440 320.0 0.085 0.134 0.084 0.000 0.015 0.000 3/13440 330.0 0.082 0.130 0.082 0.000 0.015 0.000 3/13440 340.0 0.080 0.127 0.080 0.000 0.014 0.000 3/13440 350.0 0.078 0.123 0.077 0.000 0.014 0.000 3/13440 360.0 0.075 0.120 0.075 0.000 0.014 0.000 3/13440 370.0 0.074 0.117 0.073 0.000 0.013 0.000 3/13440 380.0 0.072 0.114 0.071 0.000 0.013 0.000 3/13440 390.0 0.070 0.111 0.070 0.000 0.013 0.000 3/13440 400.0 0.068 0.108 0.068 0.000 0.012 0.000 3/13440 410.0 0.067 0.106 0.066 0.000 0.012 0.000 3/13440 420.0 0.065 0.103 0.065 0.000 0.012 0.000 3/13440 430.0 0.063 0.101 0.063 0.000 0.011 0.000 3/13440 440.0 0.062 0.099 0.062 0.000 0.011 0.000 3/13440 450.0 0.061 0.097 0.061 0.000 0.011 0.000 3/13440 460.0 0.059 0.095 0.059 0.000 0.011 0.000 3/13440 470.0 0.058 0.093 0.058 0.000 0.011 0.000 3/13440 480.0 0.057 0.091 0.057 0.000 0.010 0.000 3/13440 490.0 0.056 0.089 0.056 0.000 0.010 0.000 3/13440 500.0 0.055 0.087 0.055 0.000 0.010 0.000 3/13440 510.0 0.054 0.086 0.054 0.000 0.010 0.000 3/13440 520.0 0.053 0.084 0.053 0.000 0.010 0.000 3/13440 530.0 0.052 0.082 0.052 0.000 0.009 0.000 3/13440 540.0 0.051 0.081 0.051 0.000 0.009 0.000 3/13440 550.0 0.050 0.080 0.050 0.000 0.009 0.000 3/13440 560.0 0.049 0.078 0.049 0.000 0.009 0.000 3/13440 570.0 0.048 0.077 0.048 0.000 0.009 0.000 3/13440 580.0 0.047 0.076 0.047 0.000 0.009 0.000 3/13440 590.0 0.047 0.074 0.046 0.000 0.008 0.000 3/13440 600.0 0.046 0.073 0.046 0.000 0.008 0.000 3/13440 610.0 0.045 0.072 0.045 0.000 0.008 0.000 3/13440 620.0 0.044 0.071 0.044 0.000 0.008 0.000 3/13440 630.0 0.044 0.070 0.043 0.000 0.008 0.000 3/13440 640.0 0.043 0.069 0.043 0.000 0.008 0.000 3/13440 650.0 0.042 0.068 0.042 0.000 0.008 0.000 3/13440 660.0 0.042 0.067 0.042 0.000 0.008 0.000 3/13440 670.0 0.041 0.066 0.041 0.000 0.007 0.000 3/13440 680.0 0.040 0.065 0.040 0.000 0.007 0.000 3/13440 690.0 0.040 0.064 0.040 0.000 0.007 0.000 3/13440 700.0 0.039 0.063 0.039 0.000 0.007 0.000 3/13440 710.0 0.039 0.062 0.039 0.000 0.007 0.000 3/13440 720.0 0.038 0.061 0.038 0.000 0.007 0.000 3/13440 730.0 0.038 0.060 0.038 0.000 0.007 0.000 3/13440 740.0 0.037 0.060 0.037 0.000 0.007 0.000 3/13440 750.0 0.037 0.059 0.037 0.000 0.007 0.000 3/13440 760.0 0.036 0.058 0.036 0.000 0.007 0.000 3/13440 770.0 0.036 0.057 0.036 0.000 0.006 0.000 3/13440 780.0 0.035 0.057 0.035 0.000 0.006 0.000 3/13440 790.0 0.035 0.056 0.035 0.000 0.006 0.000 3/13440 800.0 0.034 0.055 0.034 0.000 0.006 0.000 3/13440 810.0 0.034 0.054 0.034 0.000 0.006 0.000 3/13440 820.0 0.034 0.054 0.034 0.000 0.006 0.000 3/13440 830.0 0.033 0.053 0.033 0.000 0.006 0.000 3/13440 840.0 0.033 0.053 0.033 0.000 0.006 0.000 3/13440 850.0 0.032 0.052 0.032 0.000 0.006 0.000 3/13440 860.0 0.032 0.051 0.032 0.000 0.006 0.000 3/13440 870.0 0.032 0.051 0.032 0.000 0.006 0.000 3/13440 880.0 0.031 0.050 0.031 0.000 0.006 0.000 3/13440 890.0 0.031 0.050 0.031 0.000 0.006 0.000 3/13440 900.0 0.031 0.049 0.031 0.000 0.006 0.000 3/13440 910.0 0.030 0.049 0.030 0.000 0.006 0.000 3/13440 920.0 0.030 0.048 0.030 0.000 0.005 0.000 3/13440 930.0 0.030 0.048 0.030 0.000 0.005 0.000 3/13440 940.0 0.029 0.047 0.029 0.000 0.005 0.000 3/13440 950.0 0.029 0.047 0.029 0.000 0.005 0.000 3/13440 960.0 0.029 0.046 0.029 0.000 0.005 0.000 3/13440 970.0 0.028 0.046 0.028 0.000 0.005 0.000 3/13440 980.0 0.028 0.045 0.028 0.000 0.005 0.000 3/13440 990.0 0.028 0.045 0.028 0.000 0.005 0.000 3/13440 1000.0 0.028 0.044 0.028 0.000 0.005 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m784.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:22:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|