----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:58:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.976603070745488 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039221770000000 0.000000000000000 c -2.993197287604037 0.000000000000000 8.631500368061475 Atomic positions (fractional): *1 Ge 0.20602910963167 0.25000000000000 0.78922224401897 72.640 2 Ge 0.79397089036833 0.75000000000000 0.21077775598103 72.640 *3 Se 0.98605714317691 0.98818642113385 0.72686414542512 78.960 4 Se 0.01394285682308 0.48818642113385 0.27313585457488 78.960 5 Se 0.01394285682308 0.01181357886615 0.27313585457488 78.960 6 Se 0.98605714317691 0.51181357886615 0.72686414542512 78.960 *7 Se 0.36868748886990 0.25000000000000 0.06116927482366 78.960 8 Se 0.63131251113010 0.75000000000000 0.93883072517634 78.960 *9 Se 0.41136529138434 0.25000000000000 0.62888475899701 78.960 10 Se 0.58863470861566 0.75000000000000 0.37111524100299 78.960 *11 Ba 0.28179231610314 0.75000000000000 0.57580158050182 137.327 12 Ba 0.71820768389686 0.25000000000000 0.42419841949818 137.327 *13 Ba 0.21581138465419 0.75000000000000 0.04757189066754 137.327 14 Ba 0.78418861534581 0.25000000000000 0.95242810933246 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.976603070745488 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039221770000000 0.000000000000000 c -2.993197287604037 0.000000000000000 8.631500368061475 Atomic positions (fractional): *1 Ge 0.20602910963167 0.25000000000000 0.78922224401897 72.640 > 1 2 Ge 0.79397089036833 0.75000000000000 0.21077775598103 72.640 > 2 *3 Se 0.98605714317691 0.98818642113385 0.72686414542512 78.960 > 3 4 Se 0.01394285682308 0.48818642113385 0.27313585457488 78.960 > 4 5 Se 0.01394285682308 0.01181357886615 0.27313585457488 78.960 > 5 6 Se 0.98605714317691 0.51181357886615 0.72686414542512 78.960 > 6 *7 Se 0.36868748886990 0.25000000000000 0.06116927482366 78.960 > 7 8 Se 0.63131251113010 0.75000000000000 0.93883072517634 78.960 > 8 *9 Se 0.41136529138434 0.25000000000000 0.62888475899701 78.960 > 9 10 Se 0.58863470861566 0.75000000000000 0.37111524100299 78.960 > 10 *11 Ba 0.28179231610314 0.75000000000000 0.57580158050182 137.327 > 11 12 Ba 0.71820768389686 0.25000000000000 0.42419841949818 137.327 > 12 *13 Ba 0.21581138465419 0.75000000000000 0.04757189066754 137.327 > 13 14 Ba 0.78418861534581 0.25000000000000 0.95242810933246 137.327 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.953206141490975 0.000000000000000 0.000000000000000 b 0.000000000000000 14.078443540000000 0.000000000000000 c -5.986394575208074 0.000000000000000 17.263000736122951 Atomic positions (fractional): *1 Ge 0.10301455481584 0.12500000000000 0.39461112200948 72.640 > 1 2 Ge 0.60301455481583 0.12500000000000 0.39461112200948 72.640 > 1 3 Ge 0.10301455481584 0.62500000000000 0.39461112200948 72.640 > 1 4 Ge 0.60301455481583 0.62500000000000 0.39461112200948 72.640 > 1 5 Ge 0.10301455481584 0.12500000000000 0.89461112200948 72.640 > 1 6 Ge 0.60301455481583 0.12500000000000 0.89461112200948 72.640 > 1 7 Ge 0.10301455481584 0.62500000000000 0.89461112200948 72.640 > 1 8 Ge 0.60301455481583 0.62500000000000 0.89461112200948 72.640 > 1 9 Ge 0.39698544518417 0.37500000000000 0.10538887799052 72.640 > 2 10 Ge 0.89698544518417 0.37500000000000 0.10538887799052 72.640 > 2 11 Ge 0.39698544518417 0.87500000000000 0.10538887799052 72.640 > 2 12 Ge 0.89698544518417 0.87500000000000 0.10538887799052 72.640 > 2 13 Ge 0.39698544518417 0.37500000000000 0.60538887799052 72.640 > 2 14 Ge 0.89698544518417 0.37500000000000 0.60538887799052 72.640 > 2 15 Ge 0.39698544518417 0.87500000000000 0.60538887799052 72.640 > 2 16 Ge 0.89698544518417 0.87500000000000 0.60538887799052 72.640 > 2 *17 Se 0.49302857158846 0.49409321056692 0.36343207271256 78.960 > 3 18 Se 0.99302857158846 0.49409321056692 0.36343207271256 78.960 > 3 19 Se 0.49302857158846 0.99409321056692 0.36343207271256 78.960 > 3 20 Se 0.99302857158846 0.99409321056692 0.36343207271256 78.960 > 3 21 Se 0.49302857158846 0.49409321056692 0.86343207271256 78.960 > 3 22 Se 0.99302857158846 0.49409321056692 0.86343207271256 78.960 > 3 23 Se 0.49302857158846 0.99409321056692 0.86343207271256 78.960 > 3 24 Se 0.99302857158846 0.99409321056692 0.86343207271256 78.960 > 3 25 Se 0.00697142841154 0.24409321056692 0.13656792728744 78.960 > 4 26 Se 0.50697142841154 0.24409321056692 0.13656792728744 78.960 > 4 27 Se 0.00697142841154 0.74409321056692 0.13656792728744 78.960 > 4 28 Se 0.50697142841154 0.74409321056692 0.13656792728744 78.960 > 4 29 Se 0.00697142841154 0.24409321056692 0.63656792728744 78.960 > 4 30 Se 0.50697142841154 0.24409321056692 0.63656792728744 78.960 > 4 31 Se 0.00697142841154 0.74409321056692 0.63656792728744 78.960 > 4 32 Se 0.50697142841154 0.74409321056692 0.63656792728744 78.960 > 4 33 Se 0.00697142841154 0.00590678943308 0.13656792728744 78.960 > 5 34 Se 0.50697142841154 0.00590678943308 0.13656792728744 78.960 > 5 35 Se 0.00697142841154 0.50590678943308 0.13656792728744 78.960 > 5 36 Se 0.50697142841154 0.50590678943308 0.13656792728744 78.960 > 5 37 Se 0.00697142841154 0.00590678943308 0.63656792728744 78.960 > 5 38 Se 0.50697142841154 0.00590678943308 0.63656792728744 78.960 > 5 39 Se 0.00697142841154 0.50590678943308 0.63656792728744 78.960 > 5 40 Se 0.50697142841154 0.50590678943308 0.63656792728744 78.960 > 5 41 Se 0.49302857158846 0.25590678943308 0.36343207271256 78.960 > 6 42 Se 0.99302857158846 0.25590678943308 0.36343207271256 78.960 > 6 43 Se 0.49302857158846 0.75590678943308 0.36343207271256 78.960 > 6 44 Se 0.99302857158846 0.75590678943308 0.36343207271256 78.960 > 6 45 Se 0.49302857158846 0.25590678943308 0.86343207271256 78.960 > 6 46 Se 0.99302857158846 0.25590678943308 0.86343207271256 78.960 > 6 47 Se 0.49302857158846 0.75590678943308 0.86343207271256 78.960 > 6 48 Se 0.99302857158846 0.75590678943308 0.86343207271256 78.960 > 6 *49 Se 0.18434374443495 0.12500000000000 0.03058463741183 78.960 > 7 50 Se 0.68434374443495 0.12500000000000 0.03058463741183 78.960 > 7 51 Se 0.18434374443495 0.62500000000000 0.03058463741183 78.960 > 7 52 Se 0.68434374443495 0.62500000000000 0.03058463741183 78.960 > 7 53 Se 0.18434374443495 0.12500000000000 0.53058463741183 78.960 > 7 54 Se 0.68434374443495 0.12500000000000 0.53058463741183 78.960 > 7 55 Se 0.18434374443495 0.62500000000000 0.53058463741183 78.960 > 7 56 Se 0.68434374443495 0.62500000000000 0.53058463741183 78.960 > 7 57 Se 0.31565625556505 0.37500000000000 0.46941536258817 78.960 > 8 58 Se 0.81565625556505 0.37500000000000 0.46941536258817 78.960 > 8 59 Se 0.31565625556505 0.87500000000000 0.46941536258817 78.960 > 8 60 Se 0.81565625556505 0.87500000000000 0.46941536258817 78.960 > 8 61 Se 0.31565625556505 0.37500000000000 0.96941536258817 78.960 > 8 62 Se 0.81565625556505 0.37500000000000 0.96941536258817 78.960 > 8 63 Se 0.31565625556505 0.87500000000000 0.96941536258817 78.960 > 8 64 Se 0.81565625556505 0.87500000000000 0.96941536258817 78.960 > 8 *65 Se 0.20568264569217 0.12500000000000 0.31444237949851 78.960 > 9 66 Se 0.70568264569217 0.12500000000000 0.31444237949851 78.960 > 9 67 Se 0.20568264569217 0.62500000000000 0.31444237949851 78.960 > 9 68 Se 0.70568264569217 0.62500000000000 0.31444237949851 78.960 > 9 69 Se 0.20568264569217 0.12500000000000 0.81444237949851 78.960 > 9 70 Se 0.70568264569217 0.12500000000000 0.81444237949851 78.960 > 9 71 Se 0.20568264569217 0.62500000000000 0.81444237949851 78.960 > 9 72 Se 0.70568264569217 0.62500000000000 0.81444237949851 78.960 > 9 73 Se 0.29431735430783 0.37500000000000 0.18555762050149 78.960 > 10 74 Se 0.79431735430783 0.37500000000000 0.18555762050149 78.960 > 10 75 Se 0.29431735430783 0.87500000000000 0.18555762050149 78.960 > 10 76 Se 0.79431735430783 0.87500000000000 0.18555762050149 78.960 > 10 77 Se 0.29431735430783 0.37500000000000 0.68555762050149 78.960 > 10 78 Se 0.79431735430783 0.37500000000000 0.68555762050149 78.960 > 10 79 Se 0.29431735430783 0.87500000000000 0.68555762050149 78.960 > 10 80 Se 0.79431735430783 0.87500000000000 0.68555762050149 78.960 > 10 *81 Ba 0.14089615805157 0.37500000000000 0.28790079025091 137.327 > 11 82 Ba 0.64089615805157 0.37500000000000 0.28790079025091 137.327 > 11 83 Ba 0.14089615805157 0.87500000000000 0.28790079025091 137.327 > 11 84 Ba 0.64089615805157 0.87500000000000 0.28790079025091 137.327 > 11 85 Ba 0.14089615805157 0.37500000000000 0.78790079025091 137.327 > 11 86 Ba 0.64089615805157 0.37500000000000 0.78790079025091 137.327 > 11 87 Ba 0.14089615805157 0.87500000000000 0.78790079025091 137.327 > 11 88 Ba 0.64089615805157 0.87500000000000 0.78790079025091 137.327 > 11 89 Ba 0.35910384194843 0.12500000000000 0.21209920974909 137.327 > 12 90 Ba 0.85910384194843 0.12500000000000 0.21209920974909 137.327 > 12 91 Ba 0.35910384194843 0.62500000000000 0.21209920974909 137.327 > 12 92 Ba 0.85910384194843 0.62500000000000 0.21209920974909 137.327 > 12 93 Ba 0.35910384194843 0.12500000000000 0.71209920974909 137.327 > 12 94 Ba 0.85910384194843 0.12500000000000 0.71209920974909 137.327 > 12 95 Ba 0.35910384194843 0.62500000000000 0.71209920974909 137.327 > 12 96 Ba 0.85910384194843 0.62500000000000 0.71209920974909 137.327 > 12 *97 Ba 0.10790569232709 0.37500000000000 0.02378594533377 137.327 > 13 98 Ba 0.60790569232709 0.37500000000000 0.02378594533377 137.327 > 13 99 Ba 0.10790569232709 0.87500000000000 0.02378594533377 137.327 > 13 100 Ba 0.60790569232709 0.87500000000000 0.02378594533377 137.327 > 13 101 Ba 0.10790569232709 0.37500000000000 0.52378594533377 137.327 > 13 102 Ba 0.60790569232709 0.37500000000000 0.52378594533377 137.327 > 13 103 Ba 0.10790569232709 0.87500000000000 0.52378594533377 137.327 > 13 104 Ba 0.60790569232709 0.87500000000000 0.52378594533377 137.327 > 13 105 Ba 0.39209430767291 0.12500000000000 0.47621405466623 137.327 > 14 106 Ba 0.89209430767291 0.12500000000000 0.47621405466623 137.327 > 14 107 Ba 0.39209430767291 0.62500000000000 0.47621405466623 137.327 > 14 108 Ba 0.89209430767291 0.62500000000000 0.47621405466623 137.327 > 14 109 Ba 0.39209430767291 0.12500000000000 0.97621405466623 137.327 > 14 110 Ba 0.89209430767291 0.12500000000000 0.97621405466623 137.327 > 14 111 Ba 0.39209430767291 0.62500000000000 0.97621405466623 137.327 > 14 112 Ba 0.89209430767291 0.62500000000000 0.97621405466623 137.327 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2916839 0.0000000 -0.0917249 0.0000000 8.0819104 0.0000000 -0.0918301 0.0000000 6.4884243 -------------------------- Born effective charges -------------------------- 1 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 2 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 3 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 4 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 5 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 6 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 7 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 8 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 9 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 10 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 11 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 12 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 13 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 14 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1940 Number of blocks in projector: 1940 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (1940, 1907), data: False |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 481), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 3.253 Solver_block: 200 / 480 - Time: 3.190 Solver_block: 300 / 480 - Time: 3.182 Solver_block: 400 / 480 - Time: 3.187 Solver_block: 480 / 480 - Time: 2.569 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.432 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1940 Number of blocks in projector: 1940 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (1940, 1907), data: False |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 481), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:58:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.976603070745488 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039221770000000 0.000000000000000 c -2.993197287604037 0.000000000000000 8.631500368061475 Atomic positions (fractional): 1 Ge 0.20602910963167 0.25000000000000 0.78922224401897 72.640 2 Ge 0.79397089036833 0.75000000000000 0.21077775598103 72.640 3 Se 0.98605714317691 0.98818642113385 0.72686414542512 78.960 4 Se 0.01394285682308 0.48818642113385 0.27313585457488 78.960 5 Se 0.01394285682308 0.01181357886615 0.27313585457488 78.960 6 Se 0.98605714317691 0.51181357886615 0.72686414542512 78.960 7 Se 0.36868748886990 0.25000000000000 0.06116927482366 78.960 8 Se 0.63131251113010 0.75000000000000 0.93883072517634 78.960 9 Se 0.41136529138434 0.25000000000000 0.62888475899701 78.960 10 Se 0.58863470861566 0.75000000000000 0.37111524100299 78.960 11 Ba 0.28179231610314 0.75000000000000 0.57580158050182 137.327 12 Ba 0.71820768389686 0.25000000000000 0.42419841949818 137.327 13 Ba 0.21581138465419 0.75000000000000 0.04757189066754 137.327 14 Ba 0.78418861534581 0.25000000000000 0.95242810933246 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.953206141490975 0.000000000000000 0.000000000000000 b 0.000000000000000 14.078443540000000 0.000000000000000 c -5.986394575208074 0.000000000000000 17.263000736122951 Atomic positions (fractional): 1 Ge 0.10301455481584 0.12500000000000 0.39461112200948 72.640 > 1 2 Ge 0.60301455481583 0.12500000000000 0.39461112200948 72.640 > 1 3 Ge 0.10301455481584 0.62500000000000 0.39461112200948 72.640 > 1 4 Ge 0.60301455481583 0.62500000000000 0.39461112200948 72.640 > 1 5 Ge 0.10301455481584 0.12500000000000 0.89461112200948 72.640 > 1 6 Ge 0.60301455481583 0.12500000000000 0.89461112200948 72.640 > 1 7 Ge 0.10301455481584 0.62500000000000 0.89461112200948 72.640 > 1 8 Ge 0.60301455481583 0.62500000000000 0.89461112200948 72.640 > 1 9 Ge 0.39698544518417 0.37500000000000 0.10538887799052 72.640 > 9 10 Ge 0.89698544518417 0.37500000000000 0.10538887799052 72.640 > 9 11 Ge 0.39698544518417 0.87500000000000 0.10538887799052 72.640 > 9 12 Ge 0.89698544518417 0.87500000000000 0.10538887799052 72.640 > 9 13 Ge 0.39698544518417 0.37500000000000 0.60538887799052 72.640 > 9 14 Ge 0.89698544518417 0.37500000000000 0.60538887799052 72.640 > 9 15 Ge 0.39698544518417 0.87500000000000 0.60538887799052 72.640 > 9 16 Ge 0.89698544518417 0.87500000000000 0.60538887799052 72.640 > 9 17 Se 0.49302857158846 0.49409321056692 0.36343207271256 78.960 > 17 18 Se 0.99302857158846 0.49409321056692 0.36343207271256 78.960 > 17 19 Se 0.49302857158846 0.99409321056692 0.36343207271256 78.960 > 17 20 Se 0.99302857158846 0.99409321056692 0.36343207271256 78.960 > 17 21 Se 0.49302857158846 0.49409321056692 0.86343207271256 78.960 > 17 22 Se 0.99302857158846 0.49409321056692 0.86343207271256 78.960 > 17 23 Se 0.49302857158846 0.99409321056692 0.86343207271256 78.960 > 17 24 Se 0.99302857158846 0.99409321056692 0.86343207271256 78.960 > 17 25 Se 0.00697142841154 0.24409321056692 0.13656792728744 78.960 > 25 26 Se 0.50697142841154 0.24409321056692 0.13656792728744 78.960 > 25 27 Se 0.00697142841154 0.74409321056692 0.13656792728744 78.960 > 25 28 Se 0.50697142841154 0.74409321056692 0.13656792728744 78.960 > 25 29 Se 0.00697142841154 0.24409321056692 0.63656792728744 78.960 > 25 30 Se 0.50697142841154 0.24409321056692 0.63656792728744 78.960 > 25 31 Se 0.00697142841154 0.74409321056692 0.63656792728744 78.960 > 25 32 Se 0.50697142841154 0.74409321056692 0.63656792728744 78.960 > 25 33 Se 0.00697142841154 0.00590678943308 0.13656792728744 78.960 > 33 34 Se 0.50697142841154 0.00590678943308 0.13656792728744 78.960 > 33 35 Se 0.00697142841154 0.50590678943308 0.13656792728744 78.960 > 33 36 Se 0.50697142841154 0.50590678943308 0.13656792728744 78.960 > 33 37 Se 0.00697142841154 0.00590678943308 0.63656792728744 78.960 > 33 38 Se 0.50697142841154 0.00590678943308 0.63656792728744 78.960 > 33 39 Se 0.00697142841154 0.50590678943308 0.63656792728744 78.960 > 33 40 Se 0.50697142841154 0.50590678943308 0.63656792728744 78.960 > 33 41 Se 0.49302857158846 0.25590678943308 0.36343207271256 78.960 > 41 42 Se 0.99302857158846 0.25590678943308 0.36343207271256 78.960 > 41 43 Se 0.49302857158846 0.75590678943308 0.36343207271256 78.960 > 41 44 Se 0.99302857158846 0.75590678943308 0.36343207271256 78.960 > 41 45 Se 0.49302857158846 0.25590678943308 0.86343207271256 78.960 > 41 46 Se 0.99302857158846 0.25590678943308 0.86343207271256 78.960 > 41 47 Se 0.49302857158846 0.75590678943308 0.86343207271256 78.960 > 41 48 Se 0.99302857158846 0.75590678943308 0.86343207271256 78.960 > 41 49 Se 0.18434374443495 0.12500000000000 0.03058463741183 78.960 > 49 50 Se 0.68434374443495 0.12500000000000 0.03058463741183 78.960 > 49 51 Se 0.18434374443495 0.62500000000000 0.03058463741183 78.960 > 49 52 Se 0.68434374443495 0.62500000000000 0.03058463741183 78.960 > 49 53 Se 0.18434374443495 0.12500000000000 0.53058463741183 78.960 > 49 54 Se 0.68434374443495 0.12500000000000 0.53058463741183 78.960 > 49 55 Se 0.18434374443495 0.62500000000000 0.53058463741183 78.960 > 49 56 Se 0.68434374443495 0.62500000000000 0.53058463741183 78.960 > 49 57 Se 0.31565625556505 0.37500000000000 0.46941536258817 78.960 > 57 58 Se 0.81565625556505 0.37500000000000 0.46941536258817 78.960 > 57 59 Se 0.31565625556505 0.87500000000000 0.46941536258817 78.960 > 57 60 Se 0.81565625556505 0.87500000000000 0.46941536258817 78.960 > 57 61 Se 0.31565625556505 0.37500000000000 0.96941536258817 78.960 > 57 62 Se 0.81565625556505 0.37500000000000 0.96941536258817 78.960 > 57 63 Se 0.31565625556505 0.87500000000000 0.96941536258817 78.960 > 57 64 Se 0.81565625556505 0.87500000000000 0.96941536258817 78.960 > 57 65 Se 0.20568264569217 0.12500000000000 0.31444237949851 78.960 > 65 66 Se 0.70568264569217 0.12500000000000 0.31444237949851 78.960 > 65 67 Se 0.20568264569217 0.62500000000000 0.31444237949851 78.960 > 65 68 Se 0.70568264569217 0.62500000000000 0.31444237949851 78.960 > 65 69 Se 0.20568264569217 0.12500000000000 0.81444237949851 78.960 > 65 70 Se 0.70568264569217 0.12500000000000 0.81444237949851 78.960 > 65 71 Se 0.20568264569217 0.62500000000000 0.81444237949851 78.960 > 65 72 Se 0.70568264569217 0.62500000000000 0.81444237949851 78.960 > 65 73 Se 0.29431735430783 0.37500000000000 0.18555762050149 78.960 > 73 74 Se 0.79431735430783 0.37500000000000 0.18555762050149 78.960 > 73 75 Se 0.29431735430783 0.87500000000000 0.18555762050149 78.960 > 73 76 Se 0.79431735430783 0.87500000000000 0.18555762050149 78.960 > 73 77 Se 0.29431735430783 0.37500000000000 0.68555762050149 78.960 > 73 78 Se 0.79431735430783 0.37500000000000 0.68555762050149 78.960 > 73 79 Se 0.29431735430783 0.87500000000000 0.68555762050149 78.960 > 73 80 Se 0.79431735430783 0.87500000000000 0.68555762050149 78.960 > 73 81 Ba 0.14089615805157 0.37500000000000 0.28790079025091 137.327 > 81 82 Ba 0.64089615805157 0.37500000000000 0.28790079025091 137.327 > 81 83 Ba 0.14089615805157 0.87500000000000 0.28790079025091 137.327 > 81 84 Ba 0.64089615805157 0.87500000000000 0.28790079025091 137.327 > 81 85 Ba 0.14089615805157 0.37500000000000 0.78790079025091 137.327 > 81 86 Ba 0.64089615805157 0.37500000000000 0.78790079025091 137.327 > 81 87 Ba 0.14089615805157 0.87500000000000 0.78790079025091 137.327 > 81 88 Ba 0.64089615805157 0.87500000000000 0.78790079025091 137.327 > 81 89 Ba 0.35910384194843 0.12500000000000 0.21209920974909 137.327 > 89 90 Ba 0.85910384194843 0.12500000000000 0.21209920974909 137.327 > 89 91 Ba 0.35910384194843 0.62500000000000 0.21209920974909 137.327 > 89 92 Ba 0.85910384194843 0.62500000000000 0.21209920974909 137.327 > 89 93 Ba 0.35910384194843 0.12500000000000 0.71209920974909 137.327 > 89 94 Ba 0.85910384194843 0.12500000000000 0.71209920974909 137.327 > 89 95 Ba 0.35910384194843 0.62500000000000 0.71209920974909 137.327 > 89 96 Ba 0.85910384194843 0.62500000000000 0.71209920974909 137.327 > 89 97 Ba 0.10790569232709 0.37500000000000 0.02378594533377 137.327 > 97 98 Ba 0.60790569232709 0.37500000000000 0.02378594533377 137.327 > 97 99 Ba 0.10790569232709 0.87500000000000 0.02378594533377 137.327 > 97 100 Ba 0.60790569232709 0.87500000000000 0.02378594533377 137.327 > 97 101 Ba 0.10790569232709 0.37500000000000 0.52378594533377 137.327 > 97 102 Ba 0.60790569232709 0.37500000000000 0.52378594533377 137.327 > 97 103 Ba 0.10790569232709 0.87500000000000 0.52378594533377 137.327 > 97 104 Ba 0.60790569232709 0.87500000000000 0.52378594533377 137.327 > 97 105 Ba 0.39209430767291 0.12500000000000 0.47621405466623 137.327 > 105 106 Ba 0.89209430767291 0.12500000000000 0.47621405466623 137.327 > 105 107 Ba 0.39209430767291 0.62500000000000 0.47621405466623 137.327 > 105 108 Ba 0.89209430767291 0.62500000000000 0.47621405466623 137.327 > 105 109 Ba 0.39209430767291 0.12500000000000 0.97621405466623 137.327 > 105 110 Ba 0.89209430767291 0.12500000000000 0.97621405466623 137.327 > 105 111 Ba 0.39209430767291 0.62500000000000 0.97621405466623 137.327 > 105 112 Ba 0.89209430767291 0.62500000000000 0.97621405466623 137.327 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2916839 0.0000000 -0.0917249 0.0000000 8.0819104 0.0000000 -0.0918301 0.0000000 6.4884243 -------------------------- Born effective charges -------------------------- 1 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 2 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 3 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 4 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 5 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 6 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 7 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 8 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 9 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 10 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 11 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 12 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 13 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 14 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 81, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) 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 23:59:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:59:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.976603070745488 0.000000000000000 0.000000000000000 b 0.000000000000000 7.039221770000000 0.000000000000000 c -2.993197287604037 0.000000000000000 8.631500368061475 Atomic positions (fractional): 1 Ge 0.20602910963167 0.25000000000000 0.78922224401897 72.640 2 Ge 0.79397089036833 0.75000000000000 0.21077775598103 72.640 3 Se 0.98605714317691 0.98818642113385 0.72686414542512 78.960 4 Se 0.01394285682308 0.48818642113385 0.27313585457488 78.960 5 Se 0.01394285682308 0.01181357886615 0.27313585457488 78.960 6 Se 0.98605714317691 0.51181357886615 0.72686414542512 78.960 7 Se 0.36868748886990 0.25000000000000 0.06116927482366 78.960 8 Se 0.63131251113010 0.75000000000000 0.93883072517634 78.960 9 Se 0.41136529138434 0.25000000000000 0.62888475899701 78.960 10 Se 0.58863470861566 0.75000000000000 0.37111524100299 78.960 11 Ba 0.28179231610314 0.75000000000000 0.57580158050182 137.327 12 Ba 0.71820768389686 0.25000000000000 0.42419841949818 137.327 13 Ba 0.21581138465419 0.75000000000000 0.04757189066754 137.327 14 Ba 0.78418861534581 0.25000000000000 0.95242810933246 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.953206141490975 0.000000000000000 0.000000000000000 b 0.000000000000000 14.078443540000000 0.000000000000000 c -5.986394575208074 0.000000000000000 17.263000736122951 Atomic positions (fractional): 1 Ge 0.10301455481584 0.12500000000000 0.39461112200948 72.640 > 1 2 Ge 0.60301455481583 0.12500000000000 0.39461112200948 72.640 > 1 3 Ge 0.10301455481584 0.62500000000000 0.39461112200948 72.640 > 1 4 Ge 0.60301455481583 0.62500000000000 0.39461112200948 72.640 > 1 5 Ge 0.10301455481584 0.12500000000000 0.89461112200948 72.640 > 1 6 Ge 0.60301455481583 0.12500000000000 0.89461112200948 72.640 > 1 7 Ge 0.10301455481584 0.62500000000000 0.89461112200948 72.640 > 1 8 Ge 0.60301455481583 0.62500000000000 0.89461112200948 72.640 > 1 9 Ge 0.39698544518417 0.37500000000000 0.10538887799052 72.640 > 9 10 Ge 0.89698544518417 0.37500000000000 0.10538887799052 72.640 > 9 11 Ge 0.39698544518417 0.87500000000000 0.10538887799052 72.640 > 9 12 Ge 0.89698544518417 0.87500000000000 0.10538887799052 72.640 > 9 13 Ge 0.39698544518417 0.37500000000000 0.60538887799052 72.640 > 9 14 Ge 0.89698544518417 0.37500000000000 0.60538887799052 72.640 > 9 15 Ge 0.39698544518417 0.87500000000000 0.60538887799052 72.640 > 9 16 Ge 0.89698544518417 0.87500000000000 0.60538887799052 72.640 > 9 17 Se 0.49302857158846 0.49409321056692 0.36343207271256 78.960 > 17 18 Se 0.99302857158846 0.49409321056692 0.36343207271256 78.960 > 17 19 Se 0.49302857158846 0.99409321056692 0.36343207271256 78.960 > 17 20 Se 0.99302857158846 0.99409321056692 0.36343207271256 78.960 > 17 21 Se 0.49302857158846 0.49409321056692 0.86343207271256 78.960 > 17 22 Se 0.99302857158846 0.49409321056692 0.86343207271256 78.960 > 17 23 Se 0.49302857158846 0.99409321056692 0.86343207271256 78.960 > 17 24 Se 0.99302857158846 0.99409321056692 0.86343207271256 78.960 > 17 25 Se 0.00697142841154 0.24409321056692 0.13656792728744 78.960 > 25 26 Se 0.50697142841154 0.24409321056692 0.13656792728744 78.960 > 25 27 Se 0.00697142841154 0.74409321056692 0.13656792728744 78.960 > 25 28 Se 0.50697142841154 0.74409321056692 0.13656792728744 78.960 > 25 29 Se 0.00697142841154 0.24409321056692 0.63656792728744 78.960 > 25 30 Se 0.50697142841154 0.24409321056692 0.63656792728744 78.960 > 25 31 Se 0.00697142841154 0.74409321056692 0.63656792728744 78.960 > 25 32 Se 0.50697142841154 0.74409321056692 0.63656792728744 78.960 > 25 33 Se 0.00697142841154 0.00590678943308 0.13656792728744 78.960 > 33 34 Se 0.50697142841154 0.00590678943308 0.13656792728744 78.960 > 33 35 Se 0.00697142841154 0.50590678943308 0.13656792728744 78.960 > 33 36 Se 0.50697142841154 0.50590678943308 0.13656792728744 78.960 > 33 37 Se 0.00697142841154 0.00590678943308 0.63656792728744 78.960 > 33 38 Se 0.50697142841154 0.00590678943308 0.63656792728744 78.960 > 33 39 Se 0.00697142841154 0.50590678943308 0.63656792728744 78.960 > 33 40 Se 0.50697142841154 0.50590678943308 0.63656792728744 78.960 > 33 41 Se 0.49302857158846 0.25590678943308 0.36343207271256 78.960 > 41 42 Se 0.99302857158846 0.25590678943308 0.36343207271256 78.960 > 41 43 Se 0.49302857158846 0.75590678943308 0.36343207271256 78.960 > 41 44 Se 0.99302857158846 0.75590678943308 0.36343207271256 78.960 > 41 45 Se 0.49302857158846 0.25590678943308 0.86343207271256 78.960 > 41 46 Se 0.99302857158846 0.25590678943308 0.86343207271256 78.960 > 41 47 Se 0.49302857158846 0.75590678943308 0.86343207271256 78.960 > 41 48 Se 0.99302857158846 0.75590678943308 0.86343207271256 78.960 > 41 49 Se 0.18434374443495 0.12500000000000 0.03058463741183 78.960 > 49 50 Se 0.68434374443495 0.12500000000000 0.03058463741183 78.960 > 49 51 Se 0.18434374443495 0.62500000000000 0.03058463741183 78.960 > 49 52 Se 0.68434374443495 0.62500000000000 0.03058463741183 78.960 > 49 53 Se 0.18434374443495 0.12500000000000 0.53058463741183 78.960 > 49 54 Se 0.68434374443495 0.12500000000000 0.53058463741183 78.960 > 49 55 Se 0.18434374443495 0.62500000000000 0.53058463741183 78.960 > 49 56 Se 0.68434374443495 0.62500000000000 0.53058463741183 78.960 > 49 57 Se 0.31565625556505 0.37500000000000 0.46941536258817 78.960 > 57 58 Se 0.81565625556505 0.37500000000000 0.46941536258817 78.960 > 57 59 Se 0.31565625556505 0.87500000000000 0.46941536258817 78.960 > 57 60 Se 0.81565625556505 0.87500000000000 0.46941536258817 78.960 > 57 61 Se 0.31565625556505 0.37500000000000 0.96941536258817 78.960 > 57 62 Se 0.81565625556505 0.37500000000000 0.96941536258817 78.960 > 57 63 Se 0.31565625556505 0.87500000000000 0.96941536258817 78.960 > 57 64 Se 0.81565625556505 0.87500000000000 0.96941536258817 78.960 > 57 65 Se 0.20568264569217 0.12500000000000 0.31444237949851 78.960 > 65 66 Se 0.70568264569217 0.12500000000000 0.31444237949851 78.960 > 65 67 Se 0.20568264569217 0.62500000000000 0.31444237949851 78.960 > 65 68 Se 0.70568264569217 0.62500000000000 0.31444237949851 78.960 > 65 69 Se 0.20568264569217 0.12500000000000 0.81444237949851 78.960 > 65 70 Se 0.70568264569217 0.12500000000000 0.81444237949851 78.960 > 65 71 Se 0.20568264569217 0.62500000000000 0.81444237949851 78.960 > 65 72 Se 0.70568264569217 0.62500000000000 0.81444237949851 78.960 > 65 73 Se 0.29431735430783 0.37500000000000 0.18555762050149 78.960 > 73 74 Se 0.79431735430783 0.37500000000000 0.18555762050149 78.960 > 73 75 Se 0.29431735430783 0.87500000000000 0.18555762050149 78.960 > 73 76 Se 0.79431735430783 0.87500000000000 0.18555762050149 78.960 > 73 77 Se 0.29431735430783 0.37500000000000 0.68555762050149 78.960 > 73 78 Se 0.79431735430783 0.37500000000000 0.68555762050149 78.960 > 73 79 Se 0.29431735430783 0.87500000000000 0.68555762050149 78.960 > 73 80 Se 0.79431735430783 0.87500000000000 0.68555762050149 78.960 > 73 81 Ba 0.14089615805157 0.37500000000000 0.28790079025091 137.327 > 81 82 Ba 0.64089615805157 0.37500000000000 0.28790079025091 137.327 > 81 83 Ba 0.14089615805157 0.87500000000000 0.28790079025091 137.327 > 81 84 Ba 0.64089615805157 0.87500000000000 0.28790079025091 137.327 > 81 85 Ba 0.14089615805157 0.37500000000000 0.78790079025091 137.327 > 81 86 Ba 0.64089615805157 0.37500000000000 0.78790079025091 137.327 > 81 87 Ba 0.14089615805157 0.87500000000000 0.78790079025091 137.327 > 81 88 Ba 0.64089615805157 0.87500000000000 0.78790079025091 137.327 > 81 89 Ba 0.35910384194843 0.12500000000000 0.21209920974909 137.327 > 89 90 Ba 0.85910384194843 0.12500000000000 0.21209920974909 137.327 > 89 91 Ba 0.35910384194843 0.62500000000000 0.21209920974909 137.327 > 89 92 Ba 0.85910384194843 0.62500000000000 0.21209920974909 137.327 > 89 93 Ba 0.35910384194843 0.12500000000000 0.71209920974909 137.327 > 89 94 Ba 0.85910384194843 0.12500000000000 0.71209920974909 137.327 > 89 95 Ba 0.35910384194843 0.62500000000000 0.71209920974909 137.327 > 89 96 Ba 0.85910384194843 0.62500000000000 0.71209920974909 137.327 > 89 97 Ba 0.10790569232709 0.37500000000000 0.02378594533377 137.327 > 97 98 Ba 0.60790569232709 0.37500000000000 0.02378594533377 137.327 > 97 99 Ba 0.10790569232709 0.87500000000000 0.02378594533377 137.327 > 97 100 Ba 0.60790569232709 0.87500000000000 0.02378594533377 137.327 > 97 101 Ba 0.10790569232709 0.37500000000000 0.52378594533377 137.327 > 97 102 Ba 0.60790569232709 0.37500000000000 0.52378594533377 137.327 > 97 103 Ba 0.10790569232709 0.87500000000000 0.52378594533377 137.327 > 97 104 Ba 0.60790569232709 0.87500000000000 0.52378594533377 137.327 > 97 105 Ba 0.39209430767291 0.12500000000000 0.47621405466623 137.327 > 105 106 Ba 0.89209430767291 0.12500000000000 0.47621405466623 137.327 > 105 107 Ba 0.39209430767291 0.62500000000000 0.47621405466623 137.327 > 105 108 Ba 0.89209430767291 0.62500000000000 0.47621405466623 137.327 > 105 109 Ba 0.39209430767291 0.12500000000000 0.97621405466623 137.327 > 105 110 Ba 0.89209430767291 0.12500000000000 0.97621405466623 137.327 > 105 111 Ba 0.39209430767291 0.62500000000000 0.97621405466623 137.327 > 105 112 Ba 0.89209430767291 0.62500000000000 0.97621405466623 137.327 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2916839 0.0000000 -0.0917249 0.0000000 8.0819104 0.0000000 -0.0918301 0.0000000 6.4884243 -------------------------- Born effective charges -------------------------- 1 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 2 Ge 2.3019792 0.0000000 -0.2772498 0.0000000 2.2733431 0.0000000 -0.2303299 0.0000000 2.6532738 3 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 4 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 5 Se -1.7061167 0.0032484 0.0061095 -0.5006294 -2.4188688 -0.2352790 0.0321312 0.0256051 -1.6203805 6 Se -1.7061167 -0.0032484 0.0061095 0.5006294 -2.4188688 0.2352790 0.0321312 -0.0256051 -1.6203805 7 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 8 Se -1.7615305 0.0000000 -0.3594094 0.0000000 -1.3968102 0.0000000 -0.4586745 0.0000000 -2.9020568 9 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 10 Se -2.6359784 0.0000000 0.8030270 0.0000000 -1.5266519 0.0000000 0.8077361 0.0000000 -2.2162157 11 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 12 Ba 2.6869718 0.0000000 0.0613540 0.0000000 2.8678427 0.0000000 -0.1576345 0.0000000 3.4088480 13 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 14 Ba 2.8207915 0.0000000 -0.2399409 0.0000000 2.6200140 0.0000000 -0.0253596 0.0000000 2.2969117 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 6 ] 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: 0.55, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 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 0.612 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 11.004 0.000 2.270) 11.236 0.413 ( 25.665 0.000 -8.412) 27.008 0.507 ( 21.192 0.000 15.937) 26.515 0.625 ( 0.496 0.000 2.426) 2.477 1.128 ( -2.691 0.000 0.751) 2.793 1.280 ( 0.036 0.000 10.623) 10.623 1.357 ( -3.010 0.000 -2.241) 3.753 1.490 ( 1.632 0.000 1.483) 2.205 1.626 ( -1.789 0.000 1.162) 2.133 1.807 ( -1.057 0.000 3.129) 3.302 1.825 ( -0.958 0.000 -1.232) 1.561 1.894 ( -4.171 0.000 1.227) 4.348 2.008 ( -3.521 0.000 -2.740) 4.462 2.045 ( 0.390 0.000 -1.474) 1.525 2.235 ( -3.125 0.000 0.106) 3.126 2.350 ( 1.453 0.000 -0.517) 1.542 2.522 ( 0.268 0.000 -0.994) 1.029 2.578 ( 1.733 0.000 -5.272) 5.550 2.723 ( 0.267 0.000 0.653) 0.706 2.742 ( -0.618 0.000 -2.269) 2.351 2.827 ( -5.525 0.000 5.021) 7.465 2.831 ( 0.742 0.000 -0.099) 0.749 2.944 ( -1.410 0.000 1.295) 1.915 3.031 ( -1.101 0.000 0.001) 1.101 3.137 ( 1.353 0.000 1.323) 1.892 3.187 ( -1.013 0.000 1.858) 2.116 3.318 ( 4.638 0.000 -4.676) 6.586 3.358 ( -0.128 0.000 0.284) 0.311 3.571 ( 2.905 0.000 -3.307) 4.401 3.628 ( 4.918 0.000 -1.031) 5.025 4.130 ( -1.269 0.000 -3.769) 3.977 4.243 ( 0.272 0.000 3.991) 4.000 4.549 ( -1.932 0.000 0.158) 1.938 4.844 ( -2.908 0.000 3.021) 4.193 6.281 ( 0.180 0.000 0.333) 0.379 6.415 ( 0.098 0.000 -0.484) 0.494 8.065 ( -1.479 0.000 1.949) 2.447 8.177 ( 0.477 0.000 -1.386) 1.466 8.342 ( 0.422 0.000 -0.467) 0.630 8.351 ( 0.364 0.000 0.346) 0.502 8.453 ( 2.577 0.000 -0.473) 2.620 8.806 ( 0.733 0.000 -2.807) 2.902 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 9.905 0.000 2.124) 10.130 0.658 ( 1.055 0.000 3.690) 3.837 0.805 ( 22.946 0.000 -7.188) 24.046 0.925 ( 13.449 0.000 15.690) 20.665 1.076 ( -3.644 0.000 1.420) 3.911 1.267 ( -4.916 0.000 -3.195) 5.863 1.367 ( 1.642 0.000 12.905) 13.009 1.527 ( 0.607 0.000 2.528) 2.599 1.606 ( -0.707 0.000 0.924) 1.163 1.786 ( -1.922 0.000 -2.700) 3.315 1.798 ( -1.741 0.000 -7.984) 8.172 1.856 ( 0.065 0.000 8.831) 8.831 1.936 ( -1.364 0.000 -1.242) 1.845 2.042 ( 0.321 0.000 -1.533) 1.566 2.148 ( -6.092 0.000 0.165) 6.094 2.357 ( -0.850 0.000 0.114) 0.857 2.524 ( 0.654 0.000 -0.993) 1.189 2.571 ( -0.854 0.000 -3.444) 3.549 2.730 ( 0.027 0.000 0.439) 0.440 2.744 ( 0.282 0.000 -3.087) 3.100 2.762 ( -1.421 0.000 3.689) 3.953 2.848 ( 1.164 0.000 0.037) 1.164 2.881 ( -4.462 0.000 -3.355) 5.583 3.008 ( -1.335 0.000 0.073) 1.337 3.174 ( 1.526 0.000 1.589) 2.203 3.180 ( -0.310 0.000 -0.328) 0.451 3.353 ( 2.744 0.000 -6.741) 7.278 3.358 ( -0.085 0.000 0.491) 0.499 3.609 ( 2.439 0.000 0.105) 2.441 3.729 ( 5.212 0.000 2.166) 5.644 4.106 ( 0.013 0.000 -0.360) 0.360 4.254 ( -1.555 0.000 3.454) 3.788 4.510 ( -2.456 0.000 0.527) 2.512 4.799 ( -2.695 0.000 -0.667) 2.777 6.293 ( 0.736 0.000 0.867) 1.137 6.409 ( -0.530 0.000 -0.548) 0.762 8.047 ( -1.967 0.000 2.745) 3.377 8.177 ( 0.311 0.000 -1.054) 1.099 8.348 ( 0.565 0.000 -0.512) 0.763 8.361 ( 0.549 0.000 0.339) 0.645 8.508 ( 3.534 0.000 -0.386) 3.555 8.798 ( -0.056 0.000 -1.603) 1.604 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 4.766 0.000 1.074) 4.885 0.722 ( 4.100 0.000 3.539) 5.416 1.021 ( -3.494 0.000 1.689) 3.881 1.114 ( 14.232 0.000 -4.155) 14.826 1.154 ( -4.833 0.000 -3.525) 5.982 1.157 ( 2.524 0.000 14.183) 14.406 1.518 ( 9.030 0.000 4.077) 9.908 1.541 ( -0.463 0.000 2.696) 2.736 1.615 ( 0.698 0.000 0.438) 0.824 1.715 ( -1.689 0.000 -6.385) 6.605 1.733 ( -1.591 0.000 -3.008) 3.403 1.855 ( -0.931 0.000 -1.408) 1.688 2.017 ( -1.763 0.000 0.517) 1.837 2.037 ( 0.004 0.000 -0.814) 0.814 2.055 ( 1.367 0.000 8.679) 8.786 2.315 ( -4.254 0.000 1.888) 4.654 2.517 ( -2.027 0.000 -1.735) 2.668 2.532 ( 0.578 0.000 -0.524) 0.780 2.696 ( -2.755 0.000 2.487) 3.711 2.730 ( -0.135 0.000 0.093) 0.164 2.746 ( -5.067 0.000 -6.601) 8.322 2.834 ( 3.830 0.000 -2.338) 4.487 2.869 ( 0.881 0.000 0.147) 0.894 2.987 ( -0.948 0.000 -0.012) 0.948 3.174 ( 0.204 0.000 -0.847) 0.871 3.206 ( 0.968 0.000 1.024) 1.409 3.343 ( 0.355 0.000 -3.967) 3.982 3.360 ( -0.007 0.000 0.403) 0.403 3.656 ( 2.419 0.000 0.276) 2.435 3.816 ( 2.553 0.000 2.064) 3.283 4.114 ( 0.586 0.000 0.190) 0.616 4.240 ( -1.537 0.000 2.214) 2.695 4.474 ( -1.764 0.000 0.519) 1.839 4.749 ( -1.879 0.000 -1.244) 2.253 6.316 ( 1.115 0.000 1.145) 1.598 6.390 ( -0.984 0.000 -0.860) 1.306 8.032 ( -1.328 0.000 1.949) 2.358 8.175 ( 0.135 0.000 -0.717) 0.730 8.354 ( 0.389 0.000 -0.316) 0.502 8.372 ( 0.399 0.000 0.193) 0.444 8.565 ( 2.630 0.000 -0.055) 2.630 8.785 ( -0.426 0.000 -1.015) 1.100 ======================= Grid point 4 (5/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 0.000 0.000) 0.000 0.799 ( -0.000 0.000 0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 -0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.656 ( -0.000 0.000 -0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 -0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 -0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 -0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 -0.000) 0.000 2.878 ( 0.000 0.000 -0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 -0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 0.000 10.954 0.000) 10.954 0.375 ( 0.000 18.316 0.000) 18.316 0.608 ( 0.000 27.355 0.000) 27.355 1.188 ( 0.000 3.050 0.000) 3.050 1.216 ( 0.000 -1.442 0.000) 1.442 1.338 ( 0.000 0.361 0.000) 0.361 1.465 ( 0.000 5.815 0.000) 5.815 1.514 ( 0.000 2.154 0.000) 2.154 1.684 ( 0.000 0.851 0.000) 0.851 1.839 ( 0.000 3.498 0.000) 3.498 1.857 ( 0.000 -0.577 0.000) 0.577 1.886 ( 0.000 3.110 0.000) 3.110 2.034 ( 0.000 -1.918 0.000) 1.918 2.080 ( 0.000 3.299 0.000) 3.299 2.245 ( 0.000 -1.160 0.000) 1.160 2.317 ( 0.000 -0.676 0.000) 0.676 2.574 ( 0.000 -0.640 0.000) 0.640 2.609 ( 0.000 7.040 0.000) 7.040 2.723 ( 0.000 -2.059 0.000) 2.059 2.726 ( 0.000 -2.627 0.000) 2.627 2.814 ( 0.000 -1.451 0.000) 1.451 2.871 ( 0.000 8.215 0.000) 8.215 2.910 ( 0.000 -2.739 0.000) 2.739 2.979 ( 0.000 7.746 0.000) 7.746 3.023 ( 0.000 -0.446 0.000) 0.446 3.271 ( 0.000 5.176 0.000) 5.176 3.383 ( 0.000 2.967 0.000) 2.967 3.418 ( 0.000 4.720 0.000) 4.720 3.545 ( 0.000 1.731 0.000) 1.731 3.619 ( 0.000 3.872 0.000) 3.872 4.144 ( 0.000 -2.668 0.000) 2.668 4.175 ( 0.000 -3.142 0.000) 3.142 4.521 ( 0.000 -4.560 0.000) 4.560 4.618 ( 0.000 -5.344 0.000) 5.344 6.261 ( 0.000 -1.652 0.000) 1.652 6.297 ( 0.000 -2.421 0.000) 2.421 8.071 ( 0.000 -0.135 0.000) 0.135 8.162 ( 0.000 -1.396 0.000) 1.396 8.324 ( 0.000 -2.087 0.000) 2.087 8.398 ( 0.000 -2.954 0.000) 2.954 8.556 ( 0.000 2.332 0.000) 2.332 8.672 ( 0.000 0.640 0.000) 0.640 ======================= Grid point 10 (7/104) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 13.565 6.639 0.813) 15.124 0.551 ( 15.053 11.124 3.731) 19.085 0.721 ( 10.992 20.042 2.959) 23.049 1.040 ( -15.112 14.439 -5.599) 21.638 1.181 ( -1.771 3.855 0.516) 4.274 1.257 ( -0.698 0.660 7.654) 7.714 1.436 ( -2.693 6.352 -0.862) 6.953 1.522 ( 0.608 1.746 1.596) 2.443 1.663 ( -1.801 2.252 0.436) 2.917 1.784 ( -1.708 -0.294 4.843) 5.144 1.863 ( -1.751 2.416 -2.244) 3.733 1.881 ( -1.365 -0.419 -1.113) 1.811 1.992 ( -2.539 -0.386 -3.144) 4.059 2.094 ( -1.974 3.270 0.937) 3.932 2.214 ( -0.980 -0.350 -0.257) 1.071 2.328 ( 0.818 -1.475 -1.278) 2.116 2.533 ( 1.136 -3.317 -4.277) 5.531 2.615 ( 0.517 6.946 -0.057) 6.965 2.689 ( -1.448 -2.517 -1.032) 3.082 2.796 ( -3.278 -1.005 3.983) 5.255 2.804 ( 0.653 1.628 1.095) 2.068 2.867 ( -1.514 3.614 0.954) 4.032 2.963 ( 0.121 5.204 0.904) 5.283 3.022 ( 6.993 -1.640 -2.353) 7.558 3.116 ( 6.261 1.303 1.582) 6.588 3.275 ( -0.109 6.673 0.941) 6.740 3.387 ( -0.170 3.452 0.459) 3.487 3.417 ( 0.190 5.750 -1.509) 5.948 3.539 ( 1.558 -0.392 -1.216) 2.015 3.635 ( 2.280 1.757 0.315) 2.896 4.102 ( -1.189 -2.672 -4.095) 5.033 4.208 ( 0.263 -3.274 3.987) 5.166 4.503 ( -1.858 -4.500 0.175) 4.872 4.679 ( 2.584 -9.753 2.186) 10.324 6.263 ( 0.127 -1.687 0.322) 1.722 6.336 ( 2.429 -4.394 0.571) 5.053 8.062 ( -1.513 -0.179 1.942) 2.468 8.160 ( 0.440 -1.516 -1.850) 2.432 8.338 ( 1.649 -1.226 -0.635) 2.150 8.406 ( 0.475 -1.481 0.209) 1.570 8.499 ( -2.097 6.015 -0.733) 6.412 8.716 ( 2.108 -4.170 -0.159) 4.676 ======================= Grid point 11 (8/104) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 8.292 10.313 1.591) 13.328 0.836 ( -4.658 11.003 2.080) 12.128 0.870 ( 16.663 6.246 -1.640) 17.870 0.937 ( 6.591 3.902 4.461) 8.864 1.182 ( 0.393 7.589 3.538) 8.383 1.304 ( 0.838 2.742 3.097) 4.220 1.384 ( -1.949 4.183 4.921) 6.746 1.546 ( 0.111 0.617 2.904) 2.971 1.629 ( -1.335 1.202 -0.807) 1.969 1.791 ( -3.750 1.173 -2.564) 4.692 1.799 ( 0.793 -0.463 -4.952) 5.037 1.882 ( 2.420 1.440 5.126) 5.849 1.933 ( -1.883 1.533 -2.348) 3.377 2.025 ( -5.529 -0.263 3.551) 6.577 2.201 ( -0.355 4.018 -1.175) 4.201 2.326 ( -0.350 -1.893 -0.452) 1.977 2.540 ( 0.052 -2.679 -3.132) 4.122 2.624 ( 0.102 5.487 0.093) 5.488 2.666 ( 0.940 -4.159 -3.131) 5.290 2.756 ( -3.763 1.592 5.385) 6.760 2.789 ( -1.780 -1.657 -2.516) 3.499 2.842 ( -1.116 7.743 -0.006) 7.823 2.982 ( 1.449 6.887 0.356) 7.047 3.087 ( 1.748 4.459 -0.424) 4.808 3.176 ( 1.033 2.400 -1.785) 3.164 3.287 ( 0.693 7.011 1.266) 7.158 3.370 ( -0.814 3.435 -2.904) 4.571 3.410 ( 0.487 4.427 -1.853) 4.824 3.589 ( 3.163 -1.726 0.648) 3.661 3.706 ( 4.283 -1.352 2.026) 4.927 4.076 ( 0.165 -2.826 -1.044) 3.017 4.218 ( -1.525 -3.377 3.306) 4.966 4.465 ( -2.409 -4.357 0.550) 5.009 4.699 ( -0.512 -8.575 -0.296) 8.595 6.272 ( 0.581 -1.890 0.739) 2.110 6.363 ( 0.458 -3.801 -0.119) 3.830 8.044 ( -1.845 -0.244 2.280) 2.943 8.158 ( 0.476 -1.605 -1.390) 2.176 8.365 ( 1.612 0.430 -0.772) 1.839 8.407 ( -0.432 2.391 0.401) 2.462 8.502 ( 2.131 0.945 -0.174) 2.338 8.735 ( 0.563 -4.698 -0.714) 4.786 ======================= Grid point 12 (9/104) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.955 8.045 0.500) 8.116 0.840 ( 3.849 9.314 3.764) 10.758 0.997 ( -0.453 -0.249 3.210) 3.251 1.144 ( 12.235 2.611 -1.357) 12.584 1.180 ( -3.207 2.664 -0.569) 4.207 1.281 ( -2.388 9.016 4.709) 10.448 1.503 ( 8.328 -0.796 1.518) 8.502 1.549 ( -1.484 -0.327 3.253) 3.591 1.627 ( 1.511 0.832 -0.841) 1.919 1.712 ( -3.182 1.867 -1.991) 4.193 1.768 ( 1.084 1.380 -6.374) 6.611 1.891 ( -2.375 -0.531 -1.240) 2.731 1.919 ( -2.122 2.066 1.323) 3.244 2.063 ( 5.699 1.650 9.379) 11.098 2.191 ( -0.211 5.765 -0.238) 5.774 2.296 ( -3.480 -0.092 1.053) 3.637 2.486 ( -3.055 -1.557 -1.403) 3.705 2.600 ( -2.024 0.985 0.170) 2.257 2.652 ( -2.032 -5.766 -4.045) 7.331 2.746 ( -0.085 5.956 0.184) 5.960 2.757 ( 1.390 -0.811 -1.419) 2.146 2.824 ( -1.182 8.043 0.531) 8.146 3.008 ( 1.119 7.134 -0.030) 7.222 3.089 ( -0.717 7.769 -0.258) 7.807 3.180 ( 0.889 2.424 -1.215) 2.854 3.304 ( 0.439 6.995 0.745) 7.049 3.333 ( -0.644 1.385 -3.348) 3.680 3.411 ( 0.246 3.776 -0.312) 3.797 3.646 ( 2.707 -0.706 0.421) 2.829 3.783 ( 2.266 -2.919 1.888) 4.150 4.084 ( 0.741 -2.868 -0.130) 2.965 4.205 ( -1.475 -3.354 2.168) 4.257 4.430 ( -1.774 -4.321 0.511) 4.699 4.677 ( -1.025 -6.788 -0.947) 6.930 6.291 ( 0.883 -2.300 0.937) 2.636 6.358 ( -0.557 -2.912 -0.590) 3.023 8.028 ( -1.230 -0.298 1.523) 1.980 8.159 ( 0.369 -1.423 -0.703) 1.630 8.384 ( 0.933 1.714 -0.597) 2.041 8.402 ( -0.391 2.624 0.372) 2.679 8.546 ( 2.192 -1.222 0.089) 2.511 8.734 ( -0.056 -4.268 -0.675) 4.322 ======================= Grid point 13 (10/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 5.685 0.000) 5.685 0.915 ( -0.000 9.560 -0.000) 9.560 1.002 ( 0.000 1.660 0.000) 1.660 1.119 ( -0.000 2.168 -0.000) 2.168 1.253 ( 0.000 1.611 -0.000) 1.611 1.283 ( 0.000 6.554 0.000) 6.554 1.543 ( 0.000 -2.082 -0.000) 2.082 1.597 ( 0.000 -4.147 0.000) 4.147 1.655 ( -0.000 2.924 -0.000) 2.924 1.662 ( 0.000 1.182 0.000) 1.182 1.782 ( -0.000 3.785 0.000) 3.785 1.834 ( 0.000 -2.645 -0.000) 2.645 1.908 ( 0.000 5.535 0.000) 5.535 2.174 ( 0.000 2.010 0.000) 2.010 2.188 ( 0.000 6.902 0.000) 6.902 2.252 ( 0.000 0.115 -0.000) 0.115 2.450 ( 0.000 -1.890 0.000) 1.890 2.580 ( 0.000 -0.792 0.000) 0.792 2.598 ( 0.000 -5.081 -0.000) 5.081 2.752 ( 0.000 9.367 -0.000) 9.367 2.771 ( 0.000 -1.573 0.000) 1.573 2.812 ( -0.000 6.678 0.000) 6.678 3.018 ( 0.000 6.675 -0.000) 6.675 3.079 ( 0.000 8.106 0.000) 8.106 3.186 ( 0.000 2.857 0.000) 2.857 3.311 ( 0.000 7.812 0.000) 7.812 3.316 ( 0.000 -0.266 -0.000) 0.266 3.413 ( 0.000 3.724 0.000) 3.724 3.677 ( 0.000 -0.309 0.000) 0.309 3.806 ( 0.000 -3.430 0.000) 3.430 4.091 ( 0.000 -2.804 0.000) 2.804 4.199 ( 0.000 -3.305 -0.000) 3.305 4.414 ( 0.000 -4.333 0.000) 4.333 4.663 ( 0.000 -6.126 0.000) 6.126 6.306 ( 0.000 -2.685 0.000) 2.685 6.347 ( 0.000 -2.421 0.000) 2.421 8.021 ( 0.000 -0.321 0.000) 0.321 8.161 ( 0.000 -1.272 0.000) 1.272 8.390 ( 0.000 2.635 -0.000) 2.635 8.399 ( -0.000 1.818 0.000) 1.818 8.568 ( 0.000 -1.692 0.000) 1.692 8.730 ( 0.000 -3.997 0.000) 3.997 ======================= Grid point 18 (11/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.000 14.933 0.000) 14.933 0.739 ( 0.000 17.360 0.000) 17.360 1.027 ( 0.000 10.070 0.000) 10.070 1.249 ( 0.000 2.268 0.000) 2.268 1.251 ( 0.000 7.048 0.000) 7.048 1.296 ( 0.000 -3.592 0.000) 3.592 1.509 ( 0.000 -3.881 0.000) 3.881 1.570 ( 0.000 3.430 0.000) 3.430 1.715 ( 0.000 2.483 0.000) 2.483 1.848 ( 0.000 -0.236 0.000) 0.236 1.925 ( 0.000 0.590 0.000) 0.590 1.964 ( 0.000 7.923 0.000) 7.923 1.997 ( 0.000 -1.314 0.000) 1.314 2.171 ( 0.000 4.829 0.000) 4.829 2.228 ( 0.000 0.055 0.000) 0.055 2.307 ( 0.000 -0.579 0.000) 0.579 2.587 ( 0.000 1.832 0.000) 1.832 2.661 ( 0.000 -3.257 0.000) 3.257 2.683 ( 0.000 -1.923 0.000) 1.923 2.714 ( 0.000 1.454 0.000) 1.454 2.782 ( 0.000 -1.332 0.000) 1.332 2.855 ( 0.000 -2.523 0.000) 2.523 3.070 ( 0.000 9.991 0.000) 9.991 3.079 ( 0.000 6.081 0.000) 6.081 3.135 ( 0.000 7.188 0.000) 7.188 3.345 ( 0.000 2.895 0.000) 2.895 3.505 ( 0.000 7.693 0.000) 7.693 3.544 ( 0.000 7.553 0.000) 7.553 3.587 ( 0.000 2.775 0.000) 2.775 3.741 ( 0.000 7.333 0.000) 7.333 4.074 ( 0.000 -3.825 0.000) 3.825 4.089 ( 0.000 -4.842 0.000) 4.842 4.386 ( 0.000 -8.536 0.000) 8.536 4.465 ( 0.000 -9.415 0.000) 9.415 6.219 ( 0.000 -2.264 0.000) 2.264 6.237 ( 0.000 -3.106 0.000) 3.106 8.068 ( 0.000 -0.059 0.000) 0.059 8.125 ( 0.000 -2.053 0.000) 2.053 8.274 ( 0.000 -2.371 0.000) 2.371 8.324 ( 0.000 -3.910 0.000) 3.910 8.615 ( 0.000 3.055 0.000) 3.055 8.686 ( 0.000 0.632 0.000) 0.632 ======================= Grid point 19 (12/104) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 9.546 9.844 1.916) 13.846 0.817 ( 7.352 13.970 2.137) 15.930 1.028 ( -0.558 4.996 -1.393) 5.216 1.173 ( -5.452 4.014 -1.841) 7.016 1.290 ( 1.307 4.054 1.197) 4.424 1.308 ( 1.907 6.138 5.200) 8.267 1.508 ( -0.535 -3.521 1.888) 4.031 1.568 ( -1.416 4.860 0.527) 5.090 1.691 ( -2.198 1.694 -1.218) 3.031 1.835 ( -1.646 3.479 2.366) 4.518 1.847 ( -2.790 -1.252 -5.159) 5.997 1.942 ( -2.211 4.276 -1.098) 4.937 2.003 ( -0.013 1.489 0.943) 1.763 2.144 ( -6.452 1.241 1.307) 6.699 2.238 ( 4.349 2.254 -1.448) 5.108 2.304 ( -0.370 -0.801 -2.963) 3.091 2.493 ( -2.778 -0.066 -1.523) 3.169 2.654 ( -1.366 -0.958 -0.432) 1.724 2.682 ( -2.712 -1.742 3.059) 4.443 2.744 ( -0.156 -3.520 2.103) 4.103 2.824 ( 2.732 3.178 1.098) 4.332 2.968 ( 10.515 -2.154 -1.646) 10.859 3.063 ( -0.289 10.379 0.322) 10.388 3.097 ( 1.749 7.488 1.170) 7.778 3.200 ( 4.913 5.807 0.775) 7.646 3.381 ( 2.982 2.849 1.925) 4.551 3.486 ( -1.559 6.949 -1.236) 7.228 3.538 ( 0.151 5.685 -1.170) 5.806 3.586 ( -0.726 4.700 0.665) 4.802 3.723 ( -1.106 6.758 -0.617) 6.876 4.030 ( -1.266 -3.969 -3.978) 5.760 4.120 ( -0.005 -5.026 3.676) 6.226 4.371 ( -1.583 -8.301 0.220) 8.454 4.477 ( 0.882 -10.605 0.400) 10.649 6.220 ( 0.083 -2.239 0.216) 2.251 6.254 ( 1.418 -3.679 0.467) 3.970 8.059 ( -1.300 -0.044 1.164) 1.745 8.122 ( 0.098 -2.108 -1.168) 2.412 8.299 ( 2.755 -2.223 -0.594) 3.589 8.344 ( 1.945 -3.690 0.174) 4.175 8.600 ( -1.416 3.880 0.006) 4.131 8.679 ( -0.695 -0.167 0.004) 0.715 ======================= Grid point 20 (13/104) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 9.178 5.566 3.081) 11.168 0.930 ( -4.701 1.467 4.722) 6.823 1.029 ( 10.857 7.860 -4.528) 14.148 1.107 ( -1.224 8.531 0.071) 8.618 1.288 ( -2.763 2.831 3.883) 5.543 1.420 ( 4.809 6.405 2.993) 8.550 1.499 ( -3.373 3.427 0.724) 4.862 1.528 ( -1.333 0.007 2.616) 2.936 1.645 ( -0.395 1.260 -3.008) 3.285 1.780 ( -0.253 -1.476 -5.737) 5.930 1.839 ( -0.502 3.325 -0.655) 3.426 1.918 ( 0.204 3.638 1.412) 3.907 2.005 ( 0.033 2.918 -0.136) 2.921 2.046 ( -5.185 2.128 6.693) 8.730 2.245 ( -1.808 0.135 -1.866) 2.602 2.311 ( 2.911 -0.081 -1.832) 3.440 2.475 ( 0.176 -2.175 -2.096) 3.026 2.620 ( -2.408 -1.357 -0.360) 2.788 2.646 ( -3.487 -1.037 3.128) 4.798 2.743 ( 0.986 -1.867 -1.520) 2.602 2.866 ( 1.088 6.044 1.697) 6.371 3.053 ( -1.242 8.439 0.992) 8.587 3.106 ( 4.710 4.467 -0.836) 6.545 3.164 ( 4.700 6.688 -0.001) 8.174 3.268 ( 2.454 6.372 -1.267) 6.945 3.424 ( -1.485 6.422 0.149) 6.593 3.464 ( 0.809 3.542 0.610) 3.684 3.556 ( 2.709 2.779 0.173) 3.885 3.561 ( -1.462 6.334 -1.116) 6.595 3.717 ( 0.856 3.264 -0.047) 3.374 4.000 ( 0.147 -4.254 -1.783) 4.615 4.125 ( -1.545 -5.409 3.025) 6.387 4.339 ( -2.185 -7.841 0.607) 8.163 4.491 ( 0.475 -11.521 -0.260) 11.533 6.226 ( 0.315 -2.349 0.444) 2.411 6.279 ( 0.859 -4.066 0.253) 4.163 8.041 ( -1.484 -0.005 1.225) 1.925 8.118 ( 0.363 -2.165 -1.031) 2.426 8.352 ( 3.276 -1.636 -0.812) 3.751 8.386 ( 2.226 -2.904 0.335) 3.674 8.574 ( -1.297 4.199 0.108) 4.396 8.666 ( -0.586 -1.481 -0.084) 1.595 ======================= Grid point 21 (14/104) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.165 5.480 0.269) 5.898 0.941 ( 5.362 1.251 6.504) 8.522 1.097 ( -0.334 7.633 0.199) 7.643 1.216 ( 5.356 3.953 -0.825) 6.707 1.238 ( 0.278 3.241 -2.397) 4.040 1.436 ( -2.338 3.631 2.253) 4.870 1.477 ( -1.107 -0.093 -1.466) 1.839 1.512 ( -0.779 -2.840 2.314) 3.745 1.673 ( 3.292 3.607 -0.742) 4.939 1.759 ( 0.066 1.551 -3.236) 3.589 1.823 ( 1.644 4.875 -2.994) 5.952 1.904 ( -3.259 2.944 2.954) 5.293 1.999 ( 0.527 2.691 -0.430) 2.775 2.108 ( 3.778 1.356 8.160) 9.094 2.216 ( -0.637 0.486 0.428) 0.909 2.338 ( 0.847 0.584 -1.348) 1.696 2.439 ( -2.384 -2.852 -0.479) 3.748 2.546 ( -4.119 -4.224 -2.596) 6.446 2.616 ( -1.460 3.104 0.130) 3.432 2.766 ( 1.927 1.039 -1.133) 2.465 2.897 ( 1.694 5.681 1.248) 6.059 3.020 ( -3.014 8.573 0.950) 9.137 3.152 ( 1.377 7.930 -0.887) 8.097 3.219 ( 1.139 5.568 -0.185) 5.686 3.296 ( 1.850 8.132 -0.349) 8.347 3.381 ( -1.518 5.088 -2.351) 5.807 3.477 ( 0.271 4.734 0.968) 4.840 3.523 ( -1.195 9.042 -1.681) 9.274 3.634 ( 3.948 -0.566 1.714) 4.342 3.733 ( 0.219 -0.453 0.043) 0.505 4.007 ( 1.042 -4.304 -0.607) 4.469 4.113 ( -1.349 -5.368 2.148) 5.937 4.305 ( -1.727 -7.595 0.507) 7.806 4.492 ( 0.008 -11.049 -0.492) 11.060 6.236 ( 0.462 -2.705 0.518) 2.793 6.286 ( -0.012 -3.777 -0.135) 3.779 8.025 ( -0.933 0.112 0.757) 1.207 8.121 ( 0.407 -2.258 -0.504) 2.349 8.397 ( 2.134 -0.734 -0.618) 2.340 8.418 ( 0.891 -1.445 0.360) 1.736 8.561 ( -0.233 2.803 0.140) 2.816 8.658 ( -0.310 -2.287 -0.186) 2.315 ======================= Grid point 22 (15/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 5.550 0.000) 5.550 1.057 ( 0.000 4.014 0.000) 4.014 1.083 ( -0.000 2.746 -0.000) 2.746 1.156 ( 0.000 3.791 0.000) 3.791 1.315 ( 0.000 3.974 0.000) 3.974 1.421 ( 0.000 4.961 0.000) 4.961 1.453 ( 0.000 -4.623 -0.000) 4.623 1.518 ( 0.000 -3.226 0.000) 3.226 1.715 ( -0.000 3.408 -0.000) 3.408 1.728 ( 0.000 3.823 0.000) 3.823 1.862 ( -0.000 4.283 0.000) 4.283 1.863 ( 0.000 4.072 -0.000) 4.072 2.008 ( 0.000 3.181 0.000) 3.181 2.166 ( 0.000 -3.674 -0.000) 3.674 2.238 ( 0.000 3.886 0.000) 3.886 2.320 ( 0.000 0.880 0.000) 0.880 2.436 ( 0.000 -1.404 0.000) 1.404 2.475 ( -0.000 -6.002 -0.000) 6.002 2.598 ( 0.000 5.267 0.000) 5.267 2.781 ( 0.000 1.770 -0.000) 1.770 2.934 ( 0.000 3.506 0.000) 3.506 2.978 ( 0.000 9.701 0.000) 9.701 3.158 ( 0.000 8.770 0.000) 8.770 3.224 ( 0.000 5.664 0.000) 5.664 3.316 ( 0.000 8.773 0.000) 8.773 3.357 ( 0.000 4.682 -0.000) 4.682 3.490 ( -0.000 3.598 -0.000) 3.598 3.501 ( 0.000 9.787 0.000) 9.787 3.691 ( -0.000 2.101 -0.000) 2.101 3.722 ( 0.000 -4.173 0.000) 4.173 4.017 ( 0.000 -4.091 0.000) 4.091 4.108 ( 0.000 -5.299 -0.000) 5.299 4.290 ( 0.000 -7.526 0.000) 7.526 4.489 ( 0.000 -10.645 0.000) 10.645 6.243 ( 0.000 -2.999 0.000) 2.999 6.284 ( 0.000 -3.482 0.000) 3.482 8.018 ( 0.000 0.177 0.000) 0.177 8.124 ( 0.000 -2.299 0.000) 2.299 8.418 ( -0.000 -0.648 0.000) 0.648 8.423 ( 0.000 -0.152 -0.000) 0.152 8.561 ( 0.000 1.696 0.000) 1.696 8.654 ( 0.000 -2.499 0.000) 2.499 ======================= Grid point 27 (16/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 14.706 0.000) 14.706 0.999 ( 0.000 -9.607 0.000) 9.607 1.072 ( 0.000 15.255 0.000) 15.255 1.240 ( 0.000 0.499 0.000) 0.499 1.265 ( 0.000 -0.635 0.000) 0.635 1.348 ( 0.000 -11.124 0.000) 11.124 1.471 ( 0.000 8.924 0.000) 8.924 1.583 ( 0.000 -2.293 0.000) 2.293 1.775 ( 0.000 3.047 0.000) 3.047 1.828 ( 0.000 -1.985 0.000) 1.985 1.943 ( 0.000 1.490 0.000) 1.490 1.973 ( 0.000 -1.222 0.000) 1.222 2.128 ( 0.000 7.380 0.000) 7.380 2.228 ( 0.000 -0.791 0.000) 0.791 2.251 ( 0.000 1.671 0.000) 1.671 2.278 ( 0.000 -1.708 0.000) 1.708 2.616 ( 0.000 -0.789 0.000) 0.789 2.619 ( 0.000 0.100 0.000) 0.100 2.660 ( 0.000 0.718 0.000) 0.718 2.697 ( 0.000 -1.985 0.000) 1.985 2.773 ( 0.000 0.601 0.000) 0.601 2.805 ( 0.000 -2.300 0.000) 2.300 3.183 ( 0.000 2.793 0.000) 2.793 3.192 ( 0.000 1.977 0.000) 1.977 3.297 ( 0.000 7.863 0.000) 7.863 3.388 ( 0.000 -0.334 0.000) 0.334 3.633 ( 0.000 4.202 0.000) 4.202 3.650 ( 0.000 2.319 0.000) 2.319 3.728 ( 0.000 9.557 0.000) 9.557 3.848 ( 0.000 -0.061 0.000) 0.061 4.021 ( 0.000 -0.266 0.000) 0.266 4.027 ( 0.000 0.665 0.000) 0.665 4.205 ( 0.000 -7.059 0.000) 7.059 4.260 ( 0.000 -9.623 0.000) 9.623 6.182 ( 0.000 -1.020 0.000) 1.020 6.187 ( 0.000 -1.502 0.000) 1.502 8.071 ( 0.000 0.355 0.000) 0.355 8.088 ( 0.000 -1.414 0.000) 1.414 8.242 ( 0.000 -0.532 0.000) 0.532 8.258 ( 0.000 -2.192 0.000) 2.192 8.668 ( 0.000 1.965 0.000) 1.965 8.691 ( 0.000 -0.354 0.000) 0.354 ======================= Grid point 28 (17/104) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 2.939 11.388 0.007) 11.761 0.966 ( -3.091 -6.842 0.441) 7.521 1.103 ( 3.788 11.651 -1.674) 12.365 1.231 ( -0.836 1.264 -0.227) 1.533 1.279 ( 0.759 -0.984 3.009) 3.256 1.372 ( 1.978 -8.514 0.901) 8.787 1.507 ( 2.108 7.861 3.855) 9.005 1.603 ( 0.474 -1.557 2.648) 3.108 1.744 ( -2.493 3.000 -2.684) 4.735 1.799 ( -2.153 -2.417 -3.419) 4.708 1.921 ( -0.755 3.601 -1.795) 4.094 1.972 ( 0.292 -1.167 -0.864) 1.481 2.084 ( -3.813 4.953 2.345) 6.677 2.147 ( -6.633 -1.083 1.674) 6.926 2.275 ( 2.856 1.094 -3.293) 4.493 2.291 ( 0.388 -0.656 -4.515) 4.579 2.528 ( -4.245 3.228 1.681) 5.592 2.608 ( -2.799 -4.196 3.172) 5.958 2.654 ( -0.807 0.707 0.723) 1.294 2.686 ( -1.224 -2.288 1.876) 3.201 2.874 ( 6.811 2.081 0.357) 7.131 2.919 ( 9.283 -2.375 -0.244) 9.585 3.210 ( 1.814 3.057 1.230) 3.762 3.218 ( 2.786 2.771 1.452) 4.189 3.331 ( 3.500 7.033 -0.021) 7.856 3.417 ( 3.072 -0.427 -0.180) 3.107 3.612 ( -2.322 4.286 -0.580) 4.909 3.626 ( -1.783 2.678 -1.388) 3.503 3.731 ( 0.236 8.321 0.184) 8.327 3.834 ( -1.042 0.434 -0.873) 1.427 3.991 ( -1.618 2.288 -2.003) 3.445 4.034 ( -0.896 -2.250 2.317) 3.352 4.197 ( -0.865 -6.602 0.386) 6.670 4.257 ( -0.308 -10.114 -0.192) 10.120 6.186 ( 0.268 -0.821 0.200) 0.886 6.196 ( 0.736 -1.836 0.367) 2.012 8.063 ( -0.850 0.487 0.267) 1.015 8.083 ( -0.288 -1.533 -0.448) 1.623 8.266 ( 2.629 -0.650 -0.300) 2.725 8.281 ( 2.294 -2.098 0.041) 3.109 8.659 ( -0.940 1.937 0.132) 2.157 8.680 ( -1.113 -0.206 0.026) 1.132 ======================= Grid point 29 (18/104) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 4.615 4.900 1.842) 6.979 0.919 ( -2.239 -2.334 1.295) 3.483 1.181 ( 5.250 5.742 -0.578) 7.802 1.221 ( 0.147 2.463 -0.358) 2.493 1.315 ( 0.160 1.767 3.848) 4.237 1.415 ( 1.537 -5.982 1.577) 6.374 1.531 ( -3.176 4.256 0.360) 5.323 1.584 ( -3.941 -0.249 -0.573) 3.990 1.699 ( 1.664 3.404 -2.465) 4.520 1.750 ( 0.898 -1.599 -3.658) 4.092 1.918 ( 1.137 4.114 -1.271) 4.453 1.980 ( 1.044 -0.434 -0.285) 1.166 2.032 ( -3.662 2.306 1.838) 4.701 2.076 ( -2.912 -0.519 4.714) 5.565 2.255 ( -0.843 1.205 -2.196) 2.642 2.287 ( 0.968 -1.777 -2.372) 3.118 2.487 ( -2.383 2.966 0.480) 3.834 2.563 ( -4.737 -3.799 1.832) 6.343 2.659 ( 1.181 1.799 0.869) 2.321 2.703 ( 2.660 -2.243 0.629) 3.536 2.965 ( 2.571 4.228 0.832) 5.018 3.044 ( 3.631 -3.385 0.404) 4.981 3.261 ( 3.198 5.666 1.062) 6.593 3.301 ( 4.897 2.729 0.723) 5.653 3.401 ( 3.821 6.297 -0.337) 7.373 3.481 ( 3.531 -0.843 0.806) 3.719 3.545 ( -4.077 4.599 -1.035) 6.233 3.581 ( -2.128 1.372 -1.152) 2.782 3.738 ( 0.614 6.859 -0.793) 6.932 3.806 ( -1.278 1.519 -1.610) 2.556 3.955 ( -0.882 2.520 -0.842) 2.799 4.024 ( -1.614 -3.642 2.413) 4.658 4.181 ( -1.436 -5.601 0.775) 5.834 4.251 ( -0.003 -10.901 -0.219) 10.904 6.193 ( 0.326 -0.526 0.300) 0.688 6.211 ( 0.628 -2.320 0.348) 2.428 8.048 ( -0.865 0.814 0.221) 1.208 8.076 ( -0.123 -1.865 -0.463) 1.926 8.322 ( 3.396 -0.798 -0.321) 3.503 8.332 ( 3.027 -1.841 0.142) 3.546 8.638 ( -1.396 1.982 0.117) 2.427 8.657 ( -1.283 -0.177 0.043) 1.296 ======================= Grid point 30 (19/104) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.263 3.180 1.564) 3.554 0.949 ( 4.676 -0.893 3.747) 6.058 1.203 ( -1.568 3.570 -0.776) 3.976 1.263 ( 1.228 -1.694 -1.932) 2.847 1.313 ( 0.136 5.529 0.178) 5.534 1.419 ( -2.310 -4.313 1.268) 5.054 1.475 ( -0.995 2.327 -0.306) 2.549 1.514 ( -1.244 -0.242 -0.896) 1.552 1.744 ( 2.983 2.787 -1.249) 4.269 1.774 ( 2.402 -0.190 -1.634) 2.911 1.932 ( 1.953 5.051 -2.968) 6.175 1.982 ( -2.501 3.870 3.459) 5.761 2.010 ( 1.087 -1.174 -0.316) 1.631 2.075 ( -1.041 -3.744 4.020) 5.591 2.259 ( 1.524 2.397 1.830) 3.379 2.302 ( 1.864 -2.373 0.200) 3.024 2.423 ( -4.210 1.266 -1.253) 4.571 2.472 ( -5.001 -3.176 -1.325) 6.071 2.701 ( 2.441 4.228 0.154) 4.884 2.765 ( 3.235 -1.673 0.027) 3.643 2.986 ( -0.202 4.146 0.996) 4.269 3.062 ( -1.147 -2.594 0.827) 2.954 3.320 ( 2.316 6.972 -0.123) 7.348 3.365 ( 1.762 4.514 -0.683) 4.893 3.455 ( 0.994 5.946 0.626) 6.061 3.476 ( -1.183 5.185 -1.377) 5.494 3.537 ( 1.493 0.316 0.339) 1.563 3.553 ( 0.043 -3.148 0.396) 3.173 3.739 ( 0.187 6.124 -0.999) 6.208 3.770 ( -1.392 1.823 -1.686) 2.846 3.955 ( 0.764 1.131 0.147) 1.373 4.015 ( -0.836 -3.394 1.931) 3.994 4.159 ( -1.286 -4.477 0.587) 4.695 4.253 ( 0.162 -11.297 -0.084) 11.298 6.200 ( 0.237 -0.528 0.251) 0.631 6.220 ( 0.173 -2.396 0.118) 2.405 8.037 ( -0.471 1.190 0.135) 1.287 8.073 ( 0.055 -2.273 -0.245) 2.287 8.373 ( 2.279 -0.801 -0.183) 2.422 8.380 ( 2.031 -1.486 0.148) 2.521 8.616 ( -0.971 2.017 0.029) 2.238 8.638 ( -0.799 -0.413 0.016) 0.899 ======================= Grid point 31 (20/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 5.841 0.000) 5.841 1.026 ( 0.000 -5.240 -0.000) 5.240 1.158 ( 0.000 5.438 0.000) 5.438 1.242 ( 0.000 -0.214 0.000) 0.214 1.329 ( 0.000 0.967 0.000) 0.967 1.405 ( 0.000 -4.222 0.000) 4.222 1.466 ( 0.000 3.947 -0.000) 3.947 1.511 ( 0.000 0.042 0.000) 0.042 1.775 ( -0.000 2.028 -0.000) 2.028 1.785 ( 0.000 1.246 0.000) 1.246 1.953 ( -0.000 4.169 0.000) 4.169 1.959 ( 0.000 5.048 -0.000) 5.048 2.024 ( -0.000 -1.202 0.000) 1.202 2.077 ( 0.000 -5.038 0.000) 5.038 2.309 ( 0.000 2.691 0.000) 2.691 2.323 ( 0.000 0.350 0.000) 0.350 2.381 ( 0.000 -2.778 0.000) 2.778 2.387 ( -0.000 -2.456 -0.000) 2.456 2.726 ( -0.000 5.527 0.000) 5.527 2.797 ( 0.000 -1.204 -0.000) 1.204 2.987 ( 0.000 3.029 -0.000) 3.029 3.047 ( 0.000 -1.694 0.000) 1.694 3.338 ( 0.000 6.947 0.000) 6.947 3.374 ( 0.000 6.186 0.000) 6.186 3.438 ( 0.000 3.667 0.000) 3.667 3.488 ( 0.000 6.856 0.000) 6.856 3.551 ( -0.000 1.361 0.000) 1.361 3.563 ( 0.000 -4.844 -0.000) 4.844 3.739 ( 0.000 4.613 -0.000) 4.613 3.746 ( 0.000 2.292 0.000) 2.292 3.966 ( 0.000 0.478 0.000) 0.478 4.015 ( 0.000 -2.878 -0.000) 2.878 4.148 ( 0.000 -3.924 0.000) 3.924 4.254 ( 0.000 -11.388 0.000) 11.388 6.203 ( 0.000 -0.649 0.000) 0.649 6.221 ( 0.000 -2.293 0.000) 2.293 8.033 ( 0.000 1.356 0.000) 1.356 8.073 ( 0.000 -2.457 0.000) 2.457 8.394 ( 0.000 -0.792 0.000) 0.792 8.400 ( 0.000 -1.259 -0.000) 1.259 8.607 ( -0.000 1.980 -0.000) 1.980 8.631 ( 0.000 -0.549 0.000) 0.549 ======================= Grid point 63 (21/104) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -4.318 0.000 16.825) 17.370 0.388 ( -18.560 0.000 19.797) 27.137 0.614 ( 3.868 0.000 30.817) 31.059 0.684 ( -0.137 0.000 7.021) 7.022 1.200 ( -0.948 0.000 4.766) 4.859 1.338 ( -0.280 0.000 -4.778) 4.786 1.340 ( 8.707 0.000 8.255) 11.998 1.474 ( 1.068 0.000 -0.599) 1.225 1.575 ( 3.388 0.000 -5.437) 6.406 1.678 ( 8.391 0.000 -9.403) 12.603 1.852 ( -1.974 0.000 -0.409) 2.016 1.970 ( -0.071 0.000 0.348) 0.355 1.996 ( 0.721 0.000 -3.402) 3.478 2.063 ( -3.234 0.000 1.632) 3.622 2.233 ( 1.255 0.000 -1.905) 2.281 2.339 ( -3.418 0.000 -1.574) 3.763 2.531 ( -1.540 0.000 0.732) 1.705 2.560 ( -1.134 0.000 -2.940) 3.151 2.715 ( 0.860 0.000 -0.594) 1.046 2.753 ( -2.877 0.000 -0.647) 2.949 2.799 ( 9.613 0.000 0.203) 9.615 2.865 ( -1.406 0.000 3.915) 4.160 2.866 ( 2.506 0.000 -0.714) 2.606 3.045 ( -0.193 0.000 0.174) 0.260 3.073 ( -0.593 0.000 -1.147) 1.291 3.133 ( 1.000 0.000 1.430) 1.745 3.342 ( 0.835 0.000 -1.626) 1.828 3.396 ( 2.531 0.000 3.359) 4.206 3.530 ( -10.826 0.000 -5.981) 12.368 3.596 ( 0.667 0.000 0.685) 0.956 4.228 ( 3.253 0.000 1.740) 3.689 4.321 ( -9.584 0.000 0.699) 9.610 4.565 ( -0.109 0.000 -0.136) 0.174 4.744 ( 9.252 0.000 -2.483) 9.579 6.282 ( -0.029 0.000 0.251) 0.253 6.326 ( 1.601 0.000 -0.115) 1.605 8.086 ( 0.295 0.000 1.291) 1.324 8.324 ( 0.157 0.000 -0.903) 0.917 8.359 ( -0.206 0.000 0.697) 0.727 8.423 ( -0.632 0.000 -0.705) 0.946 8.494 ( -10.761 0.000 -0.589) 10.777 8.731 ( 0.777 0.000 0.129) 0.788 ======================= Grid point 64 (22/104) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 8.550 0.000 5.830) 10.348 0.418 ( 1.756 0.000 14.217) 14.325 0.728 ( -0.237 0.000 7.688) 7.692 0.987 ( 11.992 0.000 24.167) 26.978 1.183 ( -3.792 0.000 4.376) 5.790 1.284 ( -2.570 0.000 -4.649) 5.312 1.505 ( 2.911 0.000 -1.054) 3.096 1.533 ( 4.082 0.000 12.753) 13.390 1.582 ( 0.796 0.000 -3.833) 3.915 1.688 ( 0.145 0.000 -8.383) 8.384 1.793 ( -2.816 0.000 -4.263) 5.109 1.950 ( -1.623 0.000 -2.792) 3.229 2.003 ( 1.376 0.000 -0.874) 1.630 2.017 ( -3.680 0.000 5.350) 6.494 2.239 ( -1.615 0.000 0.612) 1.727 2.307 ( 2.889 0.000 -3.629) 4.638 2.477 ( -1.117 0.000 -3.839) 3.998 2.517 ( -0.354 0.000 0.356) 0.502 2.679 ( -3.339 0.000 -3.381) 4.752 2.725 ( 0.573 0.000 -0.630) 0.852 2.871 ( -0.710 0.000 3.847) 3.912 2.877 ( 0.557 0.000 1.808) 1.892 2.952 ( -1.733 0.000 -0.258) 1.752 3.034 ( -1.075 0.000 0.146) 1.085 3.114 ( 9.004 0.000 -8.868) 12.637 3.166 ( 1.458 0.000 1.576) 2.147 3.273 ( -10.181 0.000 -0.237) 10.184 3.346 ( 0.676 0.000 -1.522) 1.665 3.536 ( 6.588 0.000 0.936) 6.654 3.634 ( 3.741 0.000 0.206) 3.747 4.170 ( -4.981 0.000 2.984) 5.807 4.317 ( 0.722 0.000 3.446) 3.521 4.553 ( -1.263 0.000 0.371) 1.317 4.791 ( 0.298 0.000 -5.462) 5.470 6.289 ( 0.590 0.000 0.361) 0.692 6.362 ( 2.249 0.000 -2.457) 3.331 8.100 ( 0.314 0.000 1.597) 1.628 8.274 ( -8.946 0.000 5.051) 10.274 8.326 ( 0.630 0.000 -0.841) 1.051 8.363 ( 0.155 0.000 0.618) 0.637 8.459 ( 1.944 0.000 0.799) 2.101 8.763 ( 1.413 0.000 -1.429) 2.009 ======================= Grid point 65 (23/104) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 4.288 0.000 10.252) 11.113 0.607 ( 25.309 0.000 -6.828) 26.214 0.766 ( -0.733 0.000 7.101) 7.138 1.129 ( -4.687 0.000 2.372) 5.253 1.194 ( -4.429 0.000 -2.870) 5.278 1.279 ( 5.684 0.000 14.696) 15.757 1.546 ( 2.725 0.000 -5.511) 6.148 1.573 ( -0.174 0.000 1.396) 1.406 1.603 ( -4.346 0.000 5.374) 6.911 1.610 ( -0.253 0.000 -6.875) 6.880 1.713 ( -1.866 0.000 -5.795) 6.088 1.920 ( -2.452 0.000 2.370) 3.410 2.025 ( 1.520 0.000 5.016) 5.242 2.026 ( 1.010 0.000 0.635) 1.193 2.184 ( -3.830 0.000 4.103) 5.613 2.355 ( 2.347 0.000 -0.763) 2.468 2.493 ( 2.473 0.000 -2.601) 3.589 2.522 ( 0.511 0.000 0.638) 0.817 2.634 ( 2.428 0.000 -5.334) 5.860 2.728 ( 0.225 0.000 -0.577) 0.619 2.810 ( -7.261 0.000 -4.167) 8.372 2.884 ( -0.345 0.000 3.306) 3.324 2.894 ( -4.263 0.000 6.625) 7.878 3.012 ( -1.347 0.000 0.181) 1.359 3.137 ( -0.210 0.000 -6.554) 6.557 3.198 ( 1.086 0.000 0.790) 1.343 3.231 ( 4.230 0.000 -1.456) 4.473 3.347 ( 0.553 0.000 -1.665) 1.754 3.611 ( 2.329 0.000 0.220) 2.340 3.735 ( 6.432 0.000 -1.315) 6.565 4.124 ( -2.012 0.000 0.776) 2.156 4.326 ( -1.925 0.000 3.455) 3.955 4.527 ( -2.143 0.000 1.265) 2.488 4.742 ( -1.462 0.000 -4.504) 4.735 6.306 ( 1.020 0.000 0.273) 1.056 6.371 ( 0.604 0.000 -2.288) 2.366 8.111 ( -0.933 0.000 2.466) 2.637 8.186 ( -3.894 0.000 2.011) 4.382 8.335 ( 0.857 0.000 -0.645) 1.073 8.371 ( 0.315 0.000 0.502) 0.593 8.514 ( 3.333 0.000 0.974) 3.472 8.768 ( 0.380 0.000 -1.453) 1.502 ======================= Grid point 66 (24/104) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.903 0.000 7.977) 8.028 0.799 ( 0.668 0.000 4.349) 4.400 0.991 ( 20.299 0.000 -7.040) 21.485 1.033 ( -5.484 0.000 -2.144) 5.888 1.125 ( -2.564 0.000 2.300) 3.444 1.300 ( -7.321 0.000 -1.958) 7.578 1.536 ( -0.135 0.000 -4.277) 4.279 1.558 ( 2.843 0.000 -5.704) 6.373 1.566 ( 0.339 0.000 -5.070) 5.081 1.623 ( 1.043 0.000 4.525) 4.644 1.692 ( 1.771 0.000 0.042) 1.772 1.896 ( -2.102 0.000 4.693) 5.142 2.034 ( -3.354 0.000 1.738) 3.778 2.042 ( 0.208 0.000 1.131) 1.150 2.189 ( -0.900 0.000 3.217) 3.340 2.354 ( -2.887 0.000 0.923) 3.031 2.529 ( 0.417 0.000 3.974) 3.996 2.539 ( 0.558 0.000 1.136) 1.265 2.595 ( -1.610 0.000 -5.340) 5.577 2.727 ( 0.063 0.000 -0.350) 0.356 2.738 ( 0.881 0.000 -0.643) 1.091 2.871 ( -1.586 0.000 6.039) 6.244 2.895 ( -0.503 0.000 2.291) 2.346 2.993 ( -0.899 0.000 0.679) 1.127 3.126 ( 2.303 0.000 -3.877) 4.509 3.212 ( 0.296 0.000 -0.388) 0.488 3.288 ( 2.925 0.000 -1.199) 3.161 3.344 ( 0.422 0.000 -2.051) 2.094 3.645 ( 1.929 0.000 -1.548) 2.473 3.811 ( 2.827 0.000 -2.334) 3.666 4.099 ( -0.630 0.000 -1.174) 1.332 4.300 ( -2.922 0.000 2.709) 3.985 4.495 ( -2.360 0.000 1.651) 2.880 4.703 ( 0.113 0.000 -3.221) 3.223 6.323 ( 0.688 0.000 -0.821) 1.071 6.364 ( 0.141 0.000 -1.153) 1.161 8.083 ( -3.669 0.000 2.833) 4.635 8.161 ( 0.310 0.000 -0.726) 0.790 8.346 ( 0.735 0.000 -0.378) 0.827 8.378 ( 0.151 0.000 0.368) 0.397 8.575 ( 2.320 0.000 1.097) 2.566 8.767 ( 0.463 0.000 -0.734) 0.868 ======================= Grid point 67 (25/104) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -3.281 0.000 7.410) 8.104 0.785 ( -5.091 0.000 -1.461) 5.297 0.974 ( 0.676 0.000 0.779) 1.031 1.073 ( -7.529 0.000 -14.051) 15.941 1.133 ( 1.637 0.000 3.079) 3.487 1.181 ( 0.470 0.000 -5.702) 5.721 1.488 ( -0.853 0.000 -5.330) 5.398 1.556 ( 2.056 0.000 -6.442) 6.762 1.597 ( 2.533 0.000 -1.244) 2.822 1.712 ( 7.343 0.000 -0.462) 7.358 1.744 ( 2.164 0.000 3.575) 4.179 1.890 ( -3.096 0.000 5.072) 5.942 1.984 ( -2.125 0.000 3.542) 4.130 2.048 ( -0.169 0.000 0.585) 0.609 2.101 ( -8.008 0.000 -3.631) 8.793 2.290 ( -3.565 0.000 1.569) 3.895 2.510 ( 0.263 0.000 0.947) 0.982 2.554 ( 0.061 0.000 1.815) 1.816 2.647 ( 2.144 0.000 2.346) 3.178 2.726 ( -0.014 0.000 -0.397) 0.397 2.770 ( 2.352 0.000 5.263) 5.765 2.896 ( -0.708 0.000 1.798) 1.932 2.900 ( 0.315 0.000 3.151) 3.167 2.988 ( -0.321 0.000 1.095) 1.141 3.156 ( 2.516 0.000 -1.744) 3.061 3.203 ( -0.584 0.000 -1.411) 1.527 3.331 ( 2.815 0.000 -0.460) 2.852 3.338 ( 0.418 0.000 -2.404) 2.440 3.656 ( 0.603 0.000 -2.811) 2.874 3.804 ( -1.169 0.000 -3.720) 3.900 4.092 ( 0.707 0.000 -1.341) 1.516 4.262 ( -2.565 0.000 1.540) 2.992 4.472 ( -1.089 0.000 1.455) 1.818 4.709 ( 2.091 0.000 -1.840) 2.785 6.314 ( -0.556 0.000 -1.512) 1.611 6.369 ( 0.934 0.000 -0.803) 1.232 8.038 ( -2.364 0.000 1.148) 2.628 8.170 ( 0.902 0.000 -0.499) 1.030 8.354 ( 0.313 0.000 -0.189) 0.365 8.380 ( -0.223 0.000 0.286) 0.363 8.599 ( -0.405 0.000 0.811) 0.906 8.780 ( 1.076 0.000 0.520) 1.195 ======================= Grid point 68 (26/104) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -9.479 0.000 4.817) 10.632 0.676 ( -2.924 0.000 1.474) 3.275 0.808 ( -9.812 0.000 -20.171) 22.431 1.021 ( 2.768 0.000 1.890) 3.351 1.079 ( -4.460 0.000 -7.191) 8.462 1.209 ( 4.562 0.000 1.804) 4.906 1.458 ( 1.420 0.000 -5.676) 5.851 1.537 ( -11.573 0.000 4.214) 12.316 1.548 ( 1.158 0.000 -5.695) 5.811 1.773 ( -4.916 0.000 0.602) 4.953 1.804 ( 1.585 0.000 4.358) 4.638 1.901 ( 5.229 0.000 -1.944) 5.578 1.928 ( -4.328 0.000 2.188) 4.850 2.044 ( -0.044 0.000 -1.014) 1.015 2.049 ( 3.868 0.000 3.183) 5.009 2.293 ( 3.256 0.000 -0.385) 3.279 2.536 ( 1.635 0.000 -0.043) 1.635 2.563 ( -0.559 0.000 2.695) 2.752 2.675 ( 0.793 0.000 0.905) 1.203 2.720 ( -0.119 0.000 -1.007) 1.014 2.857 ( 1.636 0.000 3.975) 4.298 2.893 ( -1.176 0.000 2.504) 2.766 2.902 ( -1.429 0.000 3.533) 3.811 2.995 ( 0.387 0.000 0.824) 0.911 3.176 ( -1.207 0.000 -1.837) 2.199 3.186 ( 1.151 0.000 1.016) 1.535 3.331 ( 0.640 0.000 -2.441) 2.524 3.386 ( 3.253 0.000 -0.627) 3.313 3.632 ( -1.358 0.000 -2.092) 2.495 3.736 ( -2.928 0.000 -5.615) 6.333 4.109 ( 1.748 0.000 0.791) 1.918 4.233 ( -1.464 0.000 0.728) 1.635 4.477 ( 0.822 0.000 0.937) 1.247 4.742 ( 2.536 0.000 -1.968) 3.210 6.294 ( -0.699 0.000 -0.901) 1.140 6.379 ( 0.937 0.000 -1.879) 2.100 8.019 ( -0.276 0.000 0.609) 0.668 8.186 ( 1.065 0.000 0.344) 1.119 8.354 ( -0.228 0.000 -0.295) 0.373 8.375 ( -0.522 0.000 0.408) 0.662 8.576 ( -2.532 0.000 0.987) 2.718 8.805 ( 0.917 0.000 0.995) 1.353 ======================= Grid point 69 (27/104) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -13.946 0.000 -19.209) 23.737 0.483 ( -10.139 0.000 6.744) 12.177 0.652 ( -2.226 0.000 4.433) 4.960 1.015 ( 0.210 0.000 -1.146) 1.165 1.089 ( 3.118 0.000 2.720) 4.137 1.268 ( -20.491 0.000 8.447) 22.164 1.299 ( 4.467 0.000 -0.187) 4.470 1.464 ( 2.247 0.000 -4.052) 4.633 1.530 ( 1.175 0.000 -5.824) 5.942 1.646 ( -2.524 0.000 -9.957) 10.272 1.850 ( 0.559 0.000 3.854) 3.895 1.943 ( 0.476 0.000 6.395) 6.412 1.998 ( 4.315 0.000 3.108) 5.318 2.033 ( 0.188 0.000 -3.030) 3.036 2.143 ( 4.882 0.000 -0.108) 4.884 2.342 ( 1.287 0.000 -1.548) 2.013 2.566 ( -1.220 0.000 3.189) 3.414 2.571 ( 3.521 0.000 -3.168) 4.737 2.703 ( 1.872 0.000 1.127) 2.185 2.710 ( 0.007 0.000 -1.634) 1.634 2.814 ( -4.900 0.000 0.454) 4.921 2.884 ( -1.832 0.000 3.413) 3.874 2.942 ( 0.959 0.000 2.243) 2.439 3.012 ( 1.079 0.000 0.527) 1.201 3.143 ( -1.218 0.000 -1.387) 1.846 3.204 ( -0.934 0.000 1.762) 1.995 3.331 ( 0.923 0.000 -2.173) 2.361 3.415 ( -0.267 0.000 0.165) 0.314 3.593 ( -1.290 0.000 -1.004) 1.635 3.648 ( -2.075 0.000 -5.325) 5.715 4.162 ( 2.292 0.000 -0.038) 2.292 4.230 ( 0.953 0.000 4.958) 5.049 4.509 ( 2.046 0.000 0.419) 2.089 4.758 ( 0.808 0.000 -4.308) 4.383 6.282 ( -0.251 0.000 -0.112) 0.275 6.376 ( 0.293 0.000 -3.101) 3.115 8.035 ( 1.306 0.000 1.081) 1.696 8.222 ( 2.372 0.000 3.003) 3.827 8.344 ( -0.516 0.000 -0.609) 0.798 8.368 ( -0.620 0.000 0.639) 0.891 8.530 ( -3.287 0.000 1.725) 3.712 8.821 ( 0.388 0.000 0.368) 0.534 ======================= Grid point 70 (28/104) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( -1.134 0.000 14.676) 14.720 0.369 ( -9.021 0.000 13.127) 15.928 0.654 ( -1.048 0.000 5.652) 5.749 0.841 ( -27.898 0.000 21.932) 35.486 1.159 ( 2.164 0.000 3.819) 4.389 1.166 ( 7.758 0.000 -2.207) 8.066 1.351 ( 2.047 0.000 -3.048) 3.672 1.470 ( -0.005 0.000 -0.452) 0.452 1.539 ( 4.346 0.000 -7.031) 8.266 1.593 ( 4.278 0.000 -10.530) 11.366 1.869 ( -0.729 0.000 2.512) 2.616 1.978 ( -0.791 0.000 3.708) 3.791 2.014 ( 0.285 0.000 -4.343) 4.352 2.075 ( 1.028 0.000 3.512) 3.660 2.210 ( 2.881 0.000 -2.051) 3.536 2.342 ( 1.774 0.000 -1.075) 2.075 2.555 ( -1.868 0.000 2.158) 2.854 2.583 ( -1.584 0.000 -2.858) 3.268 2.706 ( 0.613 0.000 -1.182) 1.331 2.744 ( -1.057 0.000 -1.821) 2.106 2.756 ( 3.003 0.000 0.078) 3.004 2.872 ( -1.939 0.000 3.783) 4.251 2.921 ( -4.215 0.000 -0.811) 4.292 3.036 ( 0.968 0.000 0.418) 1.054 3.122 ( -0.400 0.000 -0.015) 0.400 3.143 ( -5.356 0.000 -1.580) 5.584 3.336 ( 0.991 0.000 -1.855) 2.103 3.385 ( -2.757 0.000 2.327) 3.608 3.587 ( -0.120 0.000 0.095) 0.153 3.630 ( 2.463 0.000 -2.911) 3.813 4.167 ( 1.504 0.000 -2.567) 2.975 4.356 ( 5.918 0.000 8.256) 10.157 4.548 ( 1.979 0.000 0.289) 2.000 4.697 ( -3.879 0.000 -5.842) 7.013 6.282 ( 0.012 0.000 0.353) 0.353 6.346 ( -1.434 0.000 -3.141) 3.453 8.067 ( 1.178 0.000 1.037) 1.569 8.331 ( -0.323 0.000 -0.824) 0.885 8.343 ( 8.125 0.000 5.572) 9.852 8.361 ( -0.520 0.000 0.722) 0.890 8.496 ( -1.272 0.000 3.806) 4.013 8.812 ( -1.599 0.000 -2.891) 3.304 ======================= Grid point 71 (29/104) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -6.476 3.470 18.109) 19.543 0.470 ( -1.451 11.312 10.703) 15.640 0.849 ( -2.735 18.532 18.159) 26.090 1.071 ( -1.698 14.994 -11.882) 19.206 1.223 ( -1.160 1.892 3.719) 4.331 1.279 ( 5.725 -1.382 4.153) 7.206 1.440 ( 1.523 5.800 -1.648) 6.219 1.507 ( 1.385 2.057 -1.458) 2.876 1.614 ( 3.458 2.622 -4.765) 6.445 1.716 ( 7.028 4.202 -7.944) 11.409 1.872 ( -1.370 1.144 -3.041) 3.526 1.932 ( -2.284 -2.237 1.331) 3.463 2.020 ( -0.237 1.653 0.931) 1.911 2.085 ( -0.865 2.599 -0.159) 2.744 2.185 ( 0.972 -2.894 -2.391) 3.878 2.345 ( -3.832 0.434 0.322) 3.870 2.546 ( -1.196 -0.279 -3.049) 3.287 2.630 ( -0.842 8.085 1.824) 8.331 2.716 ( -3.651 -2.398 -0.246) 4.375 2.759 ( 6.409 -1.875 1.729) 6.898 2.800 ( 1.980 -1.927 -0.655) 2.839 2.858 ( 2.139 9.281 -0.452) 9.535 2.924 ( -2.167 -1.574 -0.157) 2.683 3.026 ( -2.950 5.347 3.100) 6.849 3.115 ( 1.830 -0.544 6.056) 6.350 3.247 ( 1.928 8.171 -1.922) 8.613 3.376 ( 0.422 3.930 -1.361) 4.180 3.415 ( 0.201 2.340 0.969) 2.541 3.526 ( -4.016 0.922 -3.996) 5.739 3.607 ( 0.580 2.079 -0.309) 2.181 4.139 ( -1.047 -6.646 1.647) 6.927 4.246 ( -0.838 -4.200 3.306) 5.410 4.514 ( 0.307 -4.781 -0.399) 4.808 4.633 ( 3.185 -7.262 0.129) 7.931 6.261 ( 0.178 -1.842 0.041) 1.851 6.299 ( 0.804 -2.412 0.116) 2.545 8.067 ( 0.853 -0.904 0.430) 1.315 8.235 ( -2.384 -4.790 3.485) 6.385 8.329 ( -1.185 -2.005 0.673) 2.425 8.395 ( 0.331 -2.898 -0.408) 2.945 8.548 ( -2.207 3.357 -0.653) 4.070 8.695 ( 0.282 -0.927 1.545) 1.824 ======================= Grid point 72 (30/104) ======================= q-point: ( 0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 6.856 12.095 4.354) 14.569 0.619 ( 4.422 12.346 9.472) 16.177 0.936 ( -3.737 13.353 -1.093) 13.909 1.022 ( 3.221 4.156 14.841) 15.745 1.233 ( 0.047 4.158 5.568) 6.949 1.337 ( -0.677 4.120 -0.478) 4.203 1.483 ( 1.791 -0.204 4.797) 5.125 1.522 ( 1.731 0.661 -3.329) 3.810 1.640 ( 0.401 2.760 0.238) 2.799 1.709 ( -0.748 0.975 -7.915) 8.010 1.824 ( -1.508 3.423 -2.159) 4.319 1.903 ( -1.355 -2.478 0.143) 2.827 2.013 ( -3.083 0.428 4.369) 5.364 2.089 ( 1.766 5.496 -0.869) 5.838 2.202 ( 0.695 -2.714 -0.917) 2.948 2.302 ( 0.222 -0.317 -0.566) 0.686 2.448 ( -2.296 -1.450 -4.012) 4.845 2.626 ( -0.791 7.709 0.535) 7.768 2.660 ( -2.211 0.149 -1.555) 2.707 2.797 ( -1.508 -1.467 -0.312) 2.127 2.849 ( 0.622 7.371 0.779) 7.439 2.896 ( -0.901 -2.205 1.215) 2.674 2.981 ( 6.880 2.195 0.006) 7.222 3.013 ( 0.578 2.841 1.943) 3.490 3.154 ( -0.714 -0.215 1.522) 1.695 3.256 ( 0.462 8.917 -3.415) 9.560 3.350 ( -2.888 7.867 -4.162) 9.357 3.395 ( -0.842 3.451 -0.364) 3.571 3.520 ( 5.439 -1.010 0.753) 5.583 3.636 ( 2.875 0.597 -0.373) 2.960 4.106 ( -2.727 -5.226 2.366) 6.352 4.278 ( 0.538 -3.691 3.051) 4.819 4.506 ( -1.078 -4.603 0.247) 4.734 4.674 ( 1.327 -9.162 -2.470) 9.581 6.268 ( 0.535 -1.936 0.142) 2.013 6.326 ( 1.842 -3.018 -1.049) 3.688 8.086 ( 0.880 -0.933 0.594) 1.413 8.193 ( -4.026 -3.780 3.426) 6.499 8.331 ( 1.021 -0.977 -0.102) 1.417 8.405 ( 0.835 -1.362 -0.243) 1.616 8.501 ( -1.496 5.539 0.663) 5.776 8.716 ( 0.725 -2.948 0.094) 3.037 ======================= Grid point 73 (31/104) ======================= q-point: ( 0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 13.290 8.153 2.526) 15.795 0.758 ( 9.067 11.192 1.238) 14.457 0.887 ( -1.749 10.240 4.041) 11.147 1.096 ( -1.238 -1.739 4.585) 5.058 1.232 ( -4.041 3.164 -1.928) 5.483 1.371 ( 2.090 6.915 8.046) 10.813 1.516 ( -0.086 -1.954 -0.513) 2.022 1.544 ( 2.583 -1.308 -0.014) 2.895 1.604 ( -3.321 0.938 -3.182) 4.694 1.643 ( -0.222 2.229 -5.210) 5.671 1.766 ( -3.404 2.614 -1.571) 4.571 1.926 ( 0.363 0.740 3.078) 3.186 1.982 ( -2.250 0.692 3.610) 4.309 2.123 ( 1.557 4.409 3.551) 5.871 2.188 ( -0.829 0.733 1.792) 2.106 2.327 ( 1.427 -1.556 0.740) 2.237 2.458 ( 3.501 -2.799 -3.931) 5.962 2.597 ( 0.484 -0.619 -2.875) 2.980 2.637 ( -1.403 5.212 -0.784) 5.455 2.733 ( -4.138 -0.423 -1.474) 4.413 2.836 ( -1.793 7.616 -0.079) 7.824 2.888 ( -2.682 1.266 6.166) 6.842 3.008 ( -0.171 6.162 2.314) 6.585 3.085 ( 1.838 4.503 0.034) 4.864 3.132 ( 0.459 1.812 -4.104) 4.510 3.242 ( 1.764 3.432 -4.371) 5.831 3.306 ( -0.231 8.362 -1.100) 8.437 3.394 ( 0.607 3.757 -1.008) 3.937 3.603 ( 2.678 -0.630 0.814) 2.868 3.711 ( 5.514 -1.943 -1.361) 6.002 4.082 ( -1.229 -3.835 0.562) 4.067 4.284 ( -1.759 -3.928 3.016) 5.256 4.482 ( -2.084 -4.469 1.135) 5.060 4.659 ( -0.307 -7.499 -3.427) 8.251 6.282 ( 0.860 -2.231 0.062) 2.392 6.340 ( 0.721 -2.769 -1.560) 3.259 8.098 ( -1.034 -1.111 2.138) 2.622 8.150 ( -1.816 -2.409 0.947) 3.161 8.354 ( 1.449 0.609 -0.323) 1.605 8.411 ( -0.110 1.851 -0.013) 1.855 8.513 ( 1.822 1.180 1.164) 2.463 8.721 ( 0.236 -3.627 -0.667) 3.696 ======================= Grid point 74 (32/104) ======================= q-point: ( 0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -2.217 6.289 6.753) 9.490 0.914 ( 1.949 10.098 3.802) 10.965 0.998 ( 8.019 1.631 -3.583) 8.933 1.093 ( 2.949 3.890 -3.477) 5.993 1.156 ( -0.891 2.126 1.882) 2.976 1.355 ( -6.117 5.617 -1.738) 8.484 1.504 ( -0.116 -3.416 -3.674) 5.018 1.566 ( 3.035 1.956 -2.601) 4.450 1.593 ( 2.170 -0.324 -0.346) 2.221 1.622 ( -0.093 3.950 -2.044) 4.449 1.731 ( 1.013 0.784 -0.601) 1.415 1.917 ( -2.375 1.875 3.797) 4.855 1.961 ( -2.768 0.184 3.054) 4.126 2.171 ( 1.104 5.049 -0.555) 5.198 2.204 ( -0.714 1.579 2.192) 2.794 2.333 ( -2.234 -0.715 1.560) 2.817 2.477 ( -0.653 -2.012 2.253) 3.090 2.567 ( -1.509 -1.835 -1.316) 2.716 2.627 ( 2.429 -5.467 -1.560) 6.183 2.688 ( -0.909 8.276 0.622) 8.349 2.808 ( -1.122 5.417 0.676) 5.574 2.879 ( -2.448 4.231 6.006) 7.744 3.020 ( 0.183 5.904 0.877) 5.971 3.083 ( -0.589 7.850 -0.489) 7.887 3.137 ( 2.670 3.124 -3.334) 5.292 3.269 ( 2.763 -0.021 -1.836) 3.317 3.302 ( 0.184 7.444 -1.007) 7.514 3.398 ( 0.609 3.934 -1.231) 4.167 3.641 ( 1.916 -0.029 -1.129) 2.224 3.779 ( 2.557 -2.921 -2.006) 4.370 4.065 ( -0.268 -3.110 -1.213) 3.349 4.260 ( -2.649 -3.780 2.394) 5.199 4.449 ( -2.312 -4.475 1.498) 5.255 4.639 ( 0.509 -6.147 -2.791) 6.769 6.295 ( 0.565 -2.538 -0.776) 2.713 6.338 ( 0.220 -2.406 -0.981) 2.608 8.069 ( -3.092 -1.098 2.339) 4.030 8.147 ( 0.771 -1.217 -0.559) 1.546 8.374 ( 1.019 1.852 -0.324) 2.139 8.407 ( -0.287 2.254 0.187) 2.280 8.557 ( 1.743 -1.186 1.008) 2.337 8.722 ( 0.420 -3.737 -0.392) 3.780 ======================= Grid point 75 (33/104) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -2.608 4.373 5.865) 7.767 0.886 ( -5.851 6.728 -3.980) 9.764 0.976 ( -1.660 3.592 -0.743) 4.027 1.162 ( 1.226 3.482 1.066) 3.842 1.202 ( 0.619 2.316 -5.038) 5.579 1.222 ( -2.782 10.102 -3.843) 11.161 1.478 ( 0.358 -1.876 -4.337) 4.738 1.585 ( 0.705 2.776 -5.680) 6.362 1.630 ( 1.961 2.321 0.023) 3.039 1.666 ( 3.640 -1.020 3.647) 5.253 1.780 ( 5.179 -1.023 -2.290) 5.754 1.898 ( -3.014 1.486 5.665) 6.587 1.936 ( -1.228 1.753 2.480) 3.276 2.110 ( -7.999 1.127 -4.298) 9.150 2.171 ( 0.386 5.198 -1.838) 5.527 2.284 ( -3.342 1.212 2.692) 4.459 2.474 ( 0.067 -1.481 2.056) 2.535 2.598 ( 0.575 -2.425 2.751) 3.712 2.668 ( 2.747 -2.963 4.945) 6.386 2.700 ( 1.706 4.647 -1.241) 5.104 2.802 ( 0.067 5.789 0.011) 5.790 2.867 ( -2.792 2.673 4.608) 6.015 3.025 ( -0.047 5.978 0.492) 5.999 3.081 ( 0.458 7.350 0.160) 7.366 3.174 ( 2.504 3.265 -1.130) 4.267 3.294 ( -0.245 7.586 -1.352) 7.710 3.310 ( 2.697 0.116 -1.073) 2.904 3.400 ( 0.605 4.147 -1.250) 4.373 3.654 ( 0.470 0.087 -2.372) 2.420 3.773 ( -1.177 -2.878 -3.173) 4.443 4.062 ( 0.845 -2.781 -1.477) 3.260 4.225 ( -2.403 -3.548 1.397) 4.507 4.426 ( -1.027 -4.450 1.334) 4.757 4.646 ( 1.756 -6.017 -1.708) 6.496 6.288 ( -0.405 -2.389 -1.322) 2.760 6.342 ( 0.715 -2.541 -0.810) 2.761 8.033 ( -1.895 -0.362 1.101) 2.221 8.158 ( 0.732 -1.104 -0.320) 1.362 8.387 ( 0.603 2.497 -0.266) 2.583 8.403 ( -0.389 1.907 0.297) 1.969 8.575 ( -0.441 -1.884 0.632) 2.036 8.734 ( 0.734 -3.998 0.520) 4.098 ======================= Grid point 76 (34/104) ======================= q-point: (-0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -7.572 5.886 -1.994) 9.796 0.758 ( 0.595 4.977 0.740) 5.067 0.886 ( -6.250 9.931 -6.236) 13.288 1.090 ( -5.487 4.025 -5.941) 9.034 1.130 ( 0.001 6.067 -1.266) 6.198 1.285 ( 4.821 6.917 1.574) 8.577 1.470 ( 1.334 -0.532 -4.120) 4.363 1.527 ( -8.367 1.347 1.978) 8.703 1.599 ( -1.543 2.986 -2.633) 4.270 1.749 ( 1.868 0.473 1.290) 2.319 1.862 ( 3.622 -1.350 -0.368) 3.883 1.902 ( -0.506 -1.466 0.619) 1.670 1.926 ( -4.196 6.315 1.187) 7.674 1.968 ( -0.345 -1.707 4.237) 4.581 2.173 ( 1.285 4.925 -2.533) 5.686 2.288 ( 2.580 0.927 -0.039) 2.742 2.494 ( 1.412 -2.445 0.140) 2.827 2.627 ( 1.130 -1.187 2.570) 3.049 2.703 ( -0.116 6.681 -0.519) 6.702 2.750 ( 0.705 -6.178 5.283) 8.159 2.807 ( 0.167 7.136 -0.342) 7.146 2.842 ( -1.677 0.177 2.594) 3.094 3.017 ( -1.379 6.201 0.515) 6.373 3.096 ( 0.726 7.019 0.373) 7.066 3.205 ( 0.986 2.624 1.263) 3.074 3.273 ( -0.888 7.867 -1.874) 8.136 3.351 ( 2.305 1.207 -1.359) 2.936 3.411 ( 1.599 3.575 -1.202) 4.096 3.626 ( -2.111 -0.529 -1.455) 2.618 3.713 ( -2.391 -1.704 -4.845) 5.665 4.079 ( 1.672 -2.858 0.267) 3.322 4.197 ( -1.396 -3.440 0.711) 3.780 4.431 ( 0.851 -4.438 0.813) 4.591 4.669 ( 1.630 -6.829 -1.718) 7.228 6.272 ( -0.530 -2.055 -0.849) 2.286 6.347 ( 0.544 -2.913 -1.624) 3.379 8.019 ( -0.204 0.075 0.623) 0.660 8.170 ( 0.662 -1.483 0.266) 1.646 8.393 ( 0.350 2.802 -0.486) 2.865 8.396 ( -0.713 1.657 0.597) 1.900 8.554 ( -2.125 -1.530 0.846) 2.752 8.748 ( 0.205 -4.702 0.836) 4.780 ======================= Grid point 77 (35/104) ======================= q-point: (-0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -10.365 6.193 -10.685) 16.123 0.700 ( -9.109 14.157 3.531) 17.200 0.851 ( 5.886 13.956 1.181) 15.193 1.018 ( 1.422 1.046 -2.185) 2.809 1.157 ( 2.044 4.804 1.258) 5.370 1.297 ( -17.137 4.396 8.631) 19.685 1.376 ( 3.669 6.219 -0.015) 7.220 1.479 ( 1.435 0.547 -3.685) 3.992 1.579 ( 1.691 4.244 -5.416) 7.085 1.685 ( -3.242 3.546 -8.010) 9.340 1.894 ( 0.122 3.627 3.827) 5.273 1.905 ( 0.937 -3.257 4.362) 5.524 1.978 ( 4.244 -0.475 -0.693) 4.326 2.027 ( 2.597 -1.045 4.571) 5.360 2.183 ( 1.802 3.944 -2.993) 5.269 2.324 ( 0.888 -1.180 -0.940) 1.750 2.537 ( 3.731 -1.922 -2.045) 4.669 2.662 ( 0.328 1.781 2.733) 3.279 2.697 ( 0.487 3.312 -0.185) 3.353 2.733 ( -4.598 -3.819 3.592) 6.973 2.807 ( 0.425 5.665 -0.347) 5.691 2.853 ( 0.588 -0.316 0.670) 0.946 2.987 ( -2.068 5.775 0.778) 6.183 3.100 ( -0.746 4.732 0.644) 4.834 3.215 ( -2.998 2.312 1.881) 4.227 3.241 ( 0.074 6.762 -2.963) 7.383 3.372 ( 1.105 3.342 -0.890) 3.631 3.431 ( 0.975 2.849 -1.165) 3.228 3.570 ( -2.720 -1.951 -0.867) 3.458 3.645 ( -1.622 0.750 -3.553) 3.977 4.125 ( 2.350 -3.372 0.121) 4.112 4.189 ( -0.070 -3.772 3.059) 4.857 4.462 ( 2.001 -4.521 0.253) 4.951 4.669 ( -0.375 -7.674 -2.943) 8.228 6.262 ( -0.185 -1.857 -0.222) 1.879 6.338 ( -0.358 -3.276 -2.210) 3.968 8.030 ( 0.807 -0.129 0.716) 1.087 8.190 ( 1.113 -2.421 1.556) 3.085 8.382 ( -1.336 0.842 0.939) 1.837 8.396 ( 0.397 2.281 -0.734) 2.429 8.522 ( -1.831 0.428 1.673) 2.517 8.747 ( -0.829 -5.348 0.480) 5.433 ======================= Grid point 78 (36/104) ======================= q-point: (-0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -4.474 10.753 4.519) 12.492 0.586 ( -9.363 12.001 10.466) 18.473 0.922 ( -9.171 11.888 10.117) 18.105 1.062 ( 2.647 15.987 1.503) 16.274 1.146 ( 5.837 -0.069 -1.526) 6.033 1.210 ( 1.161 4.091 2.785) 5.083 1.425 ( 2.343 5.526 -3.132) 6.770 1.491 ( 1.578 1.389 -1.195) 2.417 1.585 ( 3.340 3.122 -6.920) 8.294 1.628 ( 3.684 4.756 -7.215) 9.394 1.901 ( -0.859 2.083 0.759) 2.377 1.946 ( 0.136 -2.113 2.921) 3.607 2.021 ( 1.181 -0.028 -2.035) 2.353 2.088 ( 1.037 1.727 1.876) 2.753 2.195 ( 0.424 -0.065 -1.814) 1.864 2.341 ( 2.837 0.280 0.202) 2.858 2.553 ( -1.565 -1.919 -1.519) 2.905 2.648 ( -2.590 6.297 2.554) 7.272 2.700 ( 0.975 -2.238 -0.209) 2.450 2.736 ( 2.739 -1.056 -0.490) 2.976 2.809 ( -1.254 0.166 1.074) 1.659 2.849 ( -0.450 5.579 -1.223) 5.729 2.963 ( -1.407 4.556 0.979) 4.868 3.081 ( -2.152 -0.598 3.178) 3.884 3.108 ( -7.571 2.437 0.766) 7.991 3.236 ( 0.830 6.839 -2.628) 7.374 3.380 ( 0.186 4.375 -0.695) 4.434 3.423 ( -1.147 3.732 -0.108) 3.906 3.554 ( 0.775 -2.691 0.389) 2.827 3.616 ( -0.133 2.004 -1.639) 2.593 4.133 ( 0.804 -3.241 -2.907) 4.427 4.241 ( 0.277 -7.029 6.704) 9.717 4.498 ( 1.742 -4.689 -0.267) 5.009 4.623 ( -1.785 -6.100 -2.325) 6.768 6.260 ( -0.018 -1.884 0.097) 1.887 6.309 ( -1.219 -2.922 -1.345) 3.440 8.050 ( 0.775 -0.720 0.617) 1.225 8.226 ( 0.858 -4.257 2.827) 5.182 8.357 ( -2.167 -0.912 1.227) 2.652 8.397 ( 0.070 -1.241 -0.698) 1.426 8.531 ( 1.712 3.482 2.075) 4.400 8.721 ( -2.424 -4.164 0.137) 4.821 ======================= Grid point 79 (37/104) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -1.505 9.633 11.410) 15.009 0.741 ( -0.166 14.007 2.293) 14.195 1.129 ( -3.023 4.121 6.956) 8.632 1.196 ( -0.058 1.367 -6.659) 6.798 1.272 ( -0.227 1.517 2.223) 2.701 1.334 ( 2.819 8.607 6.059) 10.897 1.502 ( 2.842 -3.288 -0.935) 4.446 1.559 ( 1.893 4.486 -0.816) 4.937 1.664 ( 1.330 2.920 -4.088) 5.197 1.784 ( 0.909 0.476 -6.437) 6.518 1.899 ( -2.341 1.218 -0.080) 2.640 1.962 ( 0.874 7.084 -0.664) 7.169 2.030 ( -0.111 -0.618 1.467) 1.596 2.145 ( 2.051 0.954 -4.449) 4.991 2.175 ( -2.536 3.448 0.337) 4.293 2.345 ( -5.264 -0.737 1.690) 5.577 2.575 ( 0.040 3.014 -1.990) 3.612 2.666 ( -1.295 -1.957 0.516) 2.402 2.712 ( 3.991 -2.082 1.919) 4.893 2.741 ( 3.818 0.018 2.147) 4.380 2.776 ( 0.294 -0.450 0.498) 0.733 2.895 ( -4.317 -1.294 2.447) 5.128 3.076 ( -0.109 10.675 0.922) 10.715 3.121 ( 0.046 4.443 3.412) 5.602 3.170 ( 0.482 6.421 3.239) 7.208 3.360 ( 1.166 2.848 1.472) 3.411 3.487 ( -0.686 7.232 -1.814) 7.488 3.518 ( -0.077 6.026 -2.063) 6.369 3.579 ( 0.485 4.701 -2.067) 5.158 3.704 ( 0.176 7.111 -3.180) 7.792 4.020 ( -1.248 -4.952 -1.286) 5.267 4.150 ( 1.059 -5.189 2.597) 5.898 4.377 ( 0.435 -8.587 -0.769) 8.633 4.459 ( 0.760 -9.998 -0.671) 10.050 6.215 ( 0.253 -2.390 -0.289) 2.420 6.240 ( 0.446 -3.074 0.245) 3.116 8.060 ( 0.778 0.144 -0.315) 0.851 8.154 ( -1.326 -3.410 1.950) 4.147 8.279 ( -0.928 -2.486 0.551) 2.710 8.321 ( 0.289 -3.844 -0.276) 3.864 8.617 ( -0.133 3.277 0.280) 3.291 8.694 ( -0.256 0.345 0.671) 0.797 ======================= Grid point 80 (38/104) ======================= q-point: ( 0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 5.338 10.143 7.632) 13.770 0.829 ( 6.723 10.272 2.631) 12.556 1.073 ( -4.962 0.114 1.982) 5.344 1.158 ( -2.006 6.964 1.433) 7.388 1.315 ( 2.574 2.449 1.010) 3.694 1.416 ( 2.111 4.183 3.838) 6.057 1.539 ( 1.507 0.656 -1.523) 2.240 1.568 ( -1.581 6.619 1.088) 6.892 1.646 ( -0.663 -2.162 -1.938) 2.978 1.710 ( -3.014 -0.124 -6.216) 6.910 1.862 ( -1.938 0.119 0.340) 1.971 1.953 ( -1.093 6.978 2.770) 7.586 2.028 ( -0.904 0.426 0.367) 1.065 2.161 ( 1.178 -0.023 -0.324) 1.222 2.184 ( 2.653 2.606 -2.649) 4.566 2.278 ( -1.908 -2.014 0.782) 2.883 2.471 ( -4.884 3.795 -0.858) 6.244 2.644 ( -1.990 0.368 -0.693) 2.139 2.749 ( -1.922 -1.904 -0.329) 2.726 2.775 ( -1.797 1.711 4.807) 5.410 2.856 ( 3.125 -0.508 1.465) 3.489 2.946 ( 9.466 -1.311 -0.675) 9.580 3.081 ( -0.200 10.669 1.444) 10.768 3.131 ( 0.133 7.187 2.051) 7.475 3.216 ( 1.790 6.078 0.713) 6.376 3.428 ( 3.660 2.397 1.890) 4.766 3.446 ( -1.976 6.387 -2.796) 7.247 3.517 ( 1.579 3.621 -0.374) 3.968 3.550 ( -1.141 8.018 -4.272) 9.157 3.689 ( 0.507 5.264 -2.226) 5.738 3.996 ( -0.992 -5.033 0.391) 5.144 4.179 ( 0.132 -5.638 2.279) 6.083 4.372 ( -0.638 -8.335 -0.014) 8.360 4.467 ( 0.632 -11.086 -1.446) 11.198 6.220 ( 0.447 -2.453 -0.230) 2.503 6.257 ( 1.190 -3.410 -0.090) 3.613 8.072 ( 0.592 -0.465 -0.041) 0.754 8.129 ( -2.396 -2.705 1.697) 3.992 8.294 ( 2.105 -2.190 0.058) 3.038 8.345 ( 2.241 -3.656 -0.031) 4.288 8.605 ( -1.372 4.123 0.397) 4.363 8.684 ( -1.081 -0.289 0.477) 1.216 ======================= Grid point 81 (39/104) ======================= q-point: ( 0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 8.967 7.268 5.879) 12.953 0.927 ( 0.985 4.780 -0.305) 4.890 1.058 ( 3.661 4.723 4.517) 7.491 1.138 ( -1.475 6.953 2.383) 7.496 1.301 ( -4.579 3.291 -2.641) 6.227 1.452 ( 0.505 0.559 0.491) 0.899 1.528 ( -1.821 2.551 0.338) 3.152 1.560 ( 3.212 2.672 -4.061) 5.827 1.611 ( -4.829 -2.174 2.237) 5.749 1.662 ( 2.460 0.866 -3.309) 4.213 1.813 ( -2.496 3.053 -1.870) 4.364 1.979 ( -0.491 3.835 4.444) 5.890 2.011 ( -0.957 0.839 0.413) 1.338 2.189 ( -0.029 1.674 4.693) 4.983 2.194 ( 2.198 0.274 -1.354) 2.596 2.299 ( 2.448 -1.805 1.981) 3.630 2.430 ( -0.133 1.465 -2.537) 2.933 2.602 ( -1.957 1.396 -0.790) 2.530 2.654 ( -5.749 -1.013 -2.787) 6.468 2.786 ( -1.341 0.585 5.766) 5.949 2.902 ( 0.956 3.101 1.297) 3.495 3.071 ( 0.983 2.058 -0.147) 2.286 3.088 ( 2.838 10.059 0.015) 10.452 3.163 ( 3.039 6.979 -0.871) 7.662 3.250 ( 2.225 7.885 0.158) 8.195 3.376 ( -2.716 7.672 -3.492) 8.856 3.468 ( 0.742 3.085 -1.034) 3.337 3.508 ( -0.676 9.981 -3.141) 10.485 3.591 ( 4.346 -0.368 2.576) 5.065 3.696 ( 1.659 1.821 -2.246) 3.334 3.988 ( -0.226 -4.796 0.087) 4.802 4.179 ( -1.502 -6.004 2.141) 6.549 4.352 ( -1.854 -7.968 0.792) 8.219 4.466 ( 0.647 -11.052 -2.143) 11.276 6.228 ( 0.579 -2.646 -0.250) 2.720 6.273 ( 0.711 -3.537 -0.670) 3.670 8.073 ( -1.405 -1.129 1.580) 2.397 8.107 ( -0.168 -1.873 0.055) 1.881 8.343 ( 2.968 -1.526 -0.203) 3.344 8.390 ( 2.398 -2.793 0.145) 3.684 8.581 ( -1.373 3.957 0.540) 4.223 8.667 ( -0.930 -1.184 0.103) 1.509 ======================= Grid point 82 (40/104) ======================= q-point: ( 0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -4.220 4.564 4.116) 7.455 1.044 ( 6.609 2.620 3.502) 7.925 1.132 ( -1.073 7.856 3.243) 8.567 1.160 ( -3.337 2.744 -4.744) 6.417 1.199 ( 5.003 3.846 0.091) 6.311 1.448 ( -0.508 -0.675 -0.418) 0.943 1.483 ( -3.421 4.514 -0.418) 5.680 1.567 ( -0.933 -3.386 1.535) 3.833 1.614 ( 4.632 2.493 -2.673) 5.901 1.688 ( 1.623 2.400 -3.011) 4.178 1.777 ( 0.970 4.964 -2.668) 5.718 1.969 ( -2.642 3.207 3.119) 5.195 2.001 ( -0.571 1.499 1.120) 1.956 2.186 ( -0.185 -2.470 -1.905) 3.125 2.259 ( -0.071 3.766 2.810) 4.699 2.346 ( -0.616 0.611 1.813) 2.009 2.425 ( 2.872 -3.594 1.414) 4.813 2.506 ( -5.540 -2.735 -0.783) 6.227 2.610 ( 0.179 3.604 -0.315) 3.622 2.793 ( -0.942 2.068 3.522) 4.191 2.915 ( 0.433 4.086 0.032) 4.109 3.040 ( -3.205 6.746 0.803) 7.511 3.134 ( 2.030 8.723 -0.555) 8.974 3.208 ( 2.150 5.086 -1.111) 5.632 3.289 ( 1.230 9.410 -1.051) 9.549 3.334 ( 0.789 6.404 -1.178) 6.560 3.472 ( 0.570 3.272 -1.539) 3.661 3.488 ( 0.265 9.428 -1.447) 9.542 3.663 ( 2.250 2.070 0.982) 3.211 3.711 ( 1.185 -2.622 -2.262) 3.660 3.985 ( 0.338 -4.256 -1.182) 4.430 4.158 ( -2.105 -5.837 1.735) 6.443 4.320 ( -2.121 -7.842 1.060) 8.193 4.467 ( 0.932 -10.415 -1.960) 10.639 6.235 ( 0.376 -2.865 -0.633) 2.958 6.276 ( 0.267 -3.426 -0.751) 3.518 8.049 ( -1.940 -0.668 1.496) 2.539 8.116 ( 0.749 -1.837 -0.056) 1.985 8.388 ( 2.131 -0.747 -0.325) 2.281 8.423 ( 0.977 -1.225 0.224) 1.583 8.567 ( -0.480 2.354 0.447) 2.444 8.656 ( -0.292 -1.972 0.042) 1.994 ======================= Grid point 83 (41/104) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -2.066 4.143 2.921) 5.474 0.984 ( -6.943 4.357 -4.052) 9.144 1.126 ( -0.897 6.728 3.409) 7.596 1.196 ( 1.639 1.288 1.805) 2.757 1.286 ( 4.434 4.701 -2.686) 6.998 1.417 ( -2.923 6.907 -1.075) 7.577 1.436 ( -0.379 -0.890 -0.540) 1.108 1.570 ( -0.867 -4.496 2.841) 5.388 1.674 ( 0.771 2.724 -2.526) 3.794 1.693 ( 4.330 3.340 -2.038) 5.836 1.815 ( 3.760 4.117 -2.027) 5.932 1.934 ( -3.333 3.045 3.207) 5.537 1.998 ( -0.560 1.557 -0.844) 1.857 2.135 ( -4.014 0.447 -3.189) 5.146 2.210 ( -2.054 1.564 -1.197) 2.845 2.353 ( -0.069 2.791 2.563) 3.790 2.423 ( -1.848 -3.944 -0.118) 4.357 2.537 ( 3.432 -6.061 4.672) 8.387 2.616 ( 0.133 4.853 2.047) 5.269 2.798 ( -0.144 2.601 1.266) 2.896 2.924 ( 0.063 2.299 -0.997) 2.507 2.985 ( -2.011 7.582 0.484) 7.859 3.162 ( 1.078 9.292 0.442) 9.365 3.222 ( 0.145 5.876 -0.274) 5.884 3.300 ( 1.377 8.058 -1.488) 8.309 3.364 ( 1.850 5.687 0.423) 5.996 3.458 ( -0.382 5.737 -2.352) 6.212 3.506 ( 1.704 7.404 -0.307) 7.603 3.671 ( -1.588 0.760 -1.853) 2.556 3.712 ( 0.714 -1.024 -0.978) 1.586 3.989 ( 1.023 -4.033 -1.642) 4.473 4.127 ( -2.161 -5.676 1.028) 6.160 4.298 ( -0.862 -7.796 0.943) 7.900 4.475 ( 1.111 -10.477 -1.391) 10.627 6.232 ( -0.153 -2.744 -0.953) 2.908 6.277 ( 0.360 -3.547 -0.803) 3.654 8.029 ( -1.063 0.096 0.941) 1.423 8.126 ( 0.346 -2.026 0.175) 2.063 8.412 ( 0.717 -0.656 -0.423) 1.060 8.429 ( -0.457 -0.148 0.434) 0.647 8.564 ( -0.263 1.510 0.249) 1.553 8.657 ( 0.183 -2.651 0.317) 2.676 ======================= Grid point 84 (42/104) ======================= q-point: (-0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -2.886 3.809 -5.161) 7.034 0.871 ( -2.039 5.062 4.481) 7.061 1.114 ( -1.900 9.909 1.178) 10.158 1.184 ( -2.769 4.579 -3.082) 6.175 1.255 ( -4.275 5.652 -0.716) 7.123 1.433 ( 2.370 4.547 1.144) 5.254 1.438 ( 2.693 -1.032 -2.825) 4.037 1.545 ( -4.413 -0.176 2.994) 5.335 1.662 ( 0.251 3.302 -1.948) 3.842 1.776 ( 4.464 0.917 -0.551) 4.590 1.867 ( 3.946 0.800 -1.253) 4.216 1.884 ( -4.315 2.485 -0.847) 5.051 1.953 ( -1.802 0.561 0.514) 1.956 2.066 ( -3.208 5.210 2.687) 6.682 2.207 ( 1.975 0.545 -0.556) 2.123 2.364 ( -0.339 3.756 0.272) 3.781 2.420 ( 2.245 -4.189 -1.105) 4.879 2.602 ( 1.250 -4.349 3.819) 5.921 2.635 ( 0.211 0.732 1.953) 2.097 2.798 ( -1.292 0.341 1.178) 1.781 2.879 ( -2.680 3.827 -0.676) 4.720 3.005 ( 2.538 7.932 -0.657) 8.354 3.166 ( -1.465 8.287 0.637) 8.440 3.218 ( -0.659 6.237 -0.289) 6.278 3.308 ( -0.042 7.072 0.677) 7.104 3.392 ( 0.738 4.256 -1.319) 4.516 3.441 ( 0.759 6.110 -2.343) 6.587 3.532 ( 1.458 6.965 -1.110) 7.202 3.609 ( -3.495 0.182 -0.488) 3.533 3.713 ( 0.190 2.743 -1.887) 3.335 4.003 ( 1.489 -4.293 -0.445) 4.565 4.101 ( -1.250 -5.723 0.585) 5.887 4.303 ( 0.904 -7.870 0.444) 7.934 4.484 ( 0.563 -11.061 -1.285) 11.150 6.222 ( -0.214 -2.439 -0.729) 2.554 6.275 ( 0.044 -3.789 -1.214) 3.979 8.024 ( 0.008 0.513 0.672) 0.845 8.131 ( 0.078 -2.242 0.391) 2.277 8.407 ( -1.008 -1.765 -0.435) 2.079 8.413 ( -1.659 -0.483 0.697) 1.863 8.563 ( 0.151 2.615 0.341) 2.642 8.663 ( 0.227 -2.714 0.379) 2.750 ======================= Grid point 85 (43/104) ======================= q-point: (-0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -6.699 8.875 -2.582) 11.415 0.894 ( -3.029 4.528 3.683) 6.576 1.082 ( -1.794 7.083 -0.648) 7.335 1.113 ( 2.015 9.419 -0.542) 9.647 1.238 ( 0.849 2.427 0.927) 2.733 1.402 ( -5.882 3.638 1.284) 7.034 1.483 ( -1.097 -0.417 0.127) 1.180 1.502 ( 2.969 5.166 -1.863) 6.243 1.656 ( 0.261 2.960 -2.694) 4.011 1.779 ( -1.704 5.073 -5.141) 7.421 1.839 ( 1.857 -2.374 1.053) 3.193 1.950 ( 3.727 1.387 -0.789) 4.054 1.997 ( 4.167 1.883 5.323) 7.017 2.037 ( -1.599 2.851 2.629) 4.195 2.260 ( 3.785 2.025 -0.114) 4.294 2.327 ( -3.171 2.194 -0.716) 3.922 2.479 ( 4.248 -3.164 -1.238) 5.440 2.634 ( -0.755 -3.338 3.858) 5.157 2.650 ( 0.754 -0.774 1.315) 1.703 2.756 ( -2.661 -3.545 -0.653) 4.481 2.848 ( -1.197 5.755 -0.234) 5.883 3.037 ( 1.383 7.426 -0.662) 7.582 3.122 ( -3.693 5.233 1.062) 6.492 3.166 ( -5.093 6.257 -0.138) 8.069 3.291 ( -4.074 5.096 1.211) 6.635 3.372 ( 0.291 5.340 -3.119) 6.191 3.465 ( 2.238 5.377 -0.411) 5.839 3.541 ( 1.159 4.379 -2.372) 5.113 3.564 ( -1.680 4.893 0.192) 5.177 3.703 ( 0.149 5.252 -1.341) 5.423 4.038 ( 2.243 -4.769 -0.221) 5.275 4.091 ( -0.373 -5.529 1.310) 5.695 4.331 ( 1.878 -8.125 -0.103) 8.340 4.476 ( -0.363 -11.011 -1.580) 11.130 6.217 ( -0.033 -2.285 -0.378) 2.317 6.262 ( -0.621 -3.788 -1.282) 4.047 8.035 ( 0.588 0.542 0.527) 0.958 8.137 ( 0.290 -2.656 0.727) 2.769 8.371 ( -2.896 -2.434 0.587) 3.829 8.379 ( -2.358 -2.259 0.053) 3.266 8.578 ( 1.178 3.717 0.473) 3.927 8.671 ( 0.476 -1.692 0.373) 1.797 ======================= Grid point 86 (44/104) ======================= q-point: (-0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -5.647 12.430 4.146) 14.268 0.801 ( -7.291 10.178 3.889) 13.110 1.104 ( 1.661 3.665 2.680) 4.835 1.188 ( 4.327 3.552 -1.051) 5.696 1.267 ( 0.886 1.671 1.314) 2.303 1.305 ( -4.643 9.195 4.308) 11.165 1.478 ( 0.840 -3.052 -1.905) 3.695 1.528 ( 2.145 3.371 -2.677) 4.810 1.654 ( 2.414 3.966 -4.384) 6.386 1.763 ( 2.969 5.743 -4.550) 7.905 1.891 ( 3.145 -0.010 -0.445) 3.176 1.976 ( -2.402 3.559 2.352) 4.895 2.014 ( 0.802 -0.196 0.446) 0.938 2.121 ( 4.257 1.120 -0.669) 4.452 2.243 ( -4.240 4.091 -0.376) 5.904 2.358 ( 4.341 1.280 2.352) 5.101 2.512 ( 0.098 -1.710 -0.346) 1.748 2.654 ( 3.062 -1.913 0.811) 3.700 2.676 ( 1.164 -1.926 0.476) 2.300 2.718 ( -1.960 -3.745 0.449) 4.250 2.813 ( -2.717 3.664 0.131) 4.563 3.004 ( -7.839 -3.521 1.463) 8.717 3.069 ( -0.052 11.098 0.858) 11.131 3.098 ( -1.409 7.147 1.763) 7.495 3.205 ( -4.972 5.604 1.604) 7.661 3.360 ( -0.664 4.783 -0.549) 4.860 3.494 ( 0.725 6.101 -0.409) 6.158 3.535 ( -0.270 6.986 -2.332) 7.370 3.564 ( 1.695 3.582 -0.552) 4.000 3.707 ( 1.133 6.690 -1.968) 7.065 4.048 ( 0.054 -4.692 -3.189) 5.674 4.115 ( 0.758 -5.657 3.773) 6.842 4.362 ( 1.651 -8.465 -0.598) 8.645 4.459 ( -0.228 -9.889 -1.218) 9.966 6.215 ( 0.037 -2.323 -0.249) 2.337 6.243 ( -0.641 -3.339 -0.515) 3.439 8.048 ( 0.661 0.430 0.111) 0.796 8.150 ( 0.324 -3.293 1.283) 3.549 8.317 ( -3.410 -2.608 1.123) 4.438 8.338 ( -1.734 -3.532 -0.384) 3.953 8.605 ( 1.205 3.384 0.412) 3.616 8.685 ( 0.654 -0.186 0.575) 0.890 ======================= Grid point 87 (45/104) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.622 11.410 4.464) 12.359 0.949 ( 0.513 0.048 -1.754) 1.828 1.128 ( -2.715 4.831 2.873) 6.242 1.229 ( 1.510 1.827 -0.358) 2.397 1.275 ( 1.144 -1.048 0.635) 1.677 1.338 ( 1.792 -9.648 -0.865) 9.851 1.535 ( 2.163 6.449 4.364) 8.081 1.603 ( 2.111 -0.365 0.659) 2.241 1.723 ( 0.105 2.425 -3.429) 4.201 1.764 ( -0.371 -1.709 -4.887) 5.190 1.944 ( -2.758 2.782 0.265) 3.926 1.994 ( -1.634 -1.962 1.208) 2.825 2.129 ( 3.963 6.130 -0.765) 7.339 2.171 ( 2.003 1.130 -3.960) 4.580 2.235 ( -5.355 2.498 -0.210) 5.913 2.305 ( -6.013 -3.313 1.453) 7.018 2.644 ( 6.365 2.428 0.231) 6.817 2.648 ( -2.477 0.727 3.134) 4.060 2.674 ( 2.722 -1.236 1.731) 3.455 2.710 ( 3.724 -2.493 1.834) 4.842 2.775 ( -0.892 1.512 0.354) 1.790 2.836 ( -3.615 -3.790 2.754) 5.917 3.211 ( 0.685 2.692 2.660) 3.846 3.219 ( 0.585 2.279 2.492) 3.427 3.313 ( -0.690 7.361 1.605) 7.565 3.398 ( -0.769 -0.252 0.943) 1.242 3.603 ( 0.292 4.114 -2.763) 4.964 3.626 ( -0.355 2.802 -2.366) 3.684 3.724 ( 0.139 8.453 -0.949) 8.507 3.820 ( 0.173 0.839 -2.815) 2.942 3.983 ( -0.498 3.490 -1.581) 3.863 4.057 ( 1.021 -3.157 1.210) 3.532 4.195 ( 0.615 -7.177 -0.842) 7.253 4.245 ( 0.371 -10.002 -1.389) 10.105 6.179 ( 0.275 -0.848 -0.244) 0.925 6.188 ( 0.350 -1.701 0.091) 1.739 8.070 ( 0.129 0.815 0.026) 0.825 8.098 ( -0.517 -2.066 0.736) 2.254 8.244 ( -0.440 -0.724 0.138) 0.858 8.257 ( 0.039 -2.094 -0.096) 2.097 8.672 ( 0.004 1.981 0.462) 2.034 8.696 ( -0.142 -0.393 0.464) 0.624 ======================= Grid point 88 (46/104) ======================= q-point: ( 0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 2.465 7.765 5.730) 9.961 0.951 ( 0.273 -3.140 -0.036) 3.152 1.129 ( 1.275 9.517 2.613) 9.951 1.238 ( -0.338 1.414 0.878) 1.699 1.323 ( 3.260 -0.548 1.000) 3.454 1.391 ( 3.472 -7.499 0.694) 8.293 1.583 ( 0.422 3.621 1.093) 3.806 1.616 ( -0.535 0.018 -3.372) 3.414 1.672 ( -4.028 2.188 -2.164) 5.069 1.700 ( -2.746 -0.719 -3.108) 4.209 1.905 ( -1.088 3.455 -0.195) 3.628 1.973 ( -0.851 -2.785 0.341) 2.932 2.120 ( -3.642 6.002 1.077) 7.102 2.180 ( 0.587 1.233 0.866) 1.617 2.203 ( 0.829 -0.643 -3.271) 3.435 2.229 ( -0.973 -2.675 -0.499) 2.890 2.579 ( -4.915 6.171 3.232) 8.526 2.661 ( -2.220 0.438 1.226) 2.574 2.712 ( -0.228 -1.724 3.046) 3.508 2.723 ( -4.147 -4.224 4.188) 7.251 2.873 ( 7.181 1.581 -0.530) 7.372 2.910 ( 9.066 -1.911 -0.761) 9.296 3.249 ( 1.213 3.709 2.489) 4.629 3.257 ( 1.985 3.687 2.421) 4.837 3.342 ( 2.469 5.859 0.811) 6.410 3.421 ( 2.772 -1.422 0.506) 3.156 3.580 ( -1.194 4.064 -2.410) 4.874 3.589 ( -1.669 3.332 -2.325) 4.392 3.715 ( 0.041 7.175 -1.758) 7.387 3.796 ( -0.665 1.131 -3.055) 3.325 3.960 ( -1.040 4.318 -0.644) 4.488 4.071 ( -0.399 -4.556 1.195) 4.727 4.199 ( 0.166 -6.709 -0.108) 6.712 4.239 ( 0.056 -10.043 -1.381) 10.137 6.185 ( 0.500 -0.663 -0.233) 0.863 6.199 ( 0.756 -2.000 0.003) 2.138 8.068 ( -0.317 0.202 0.165) 0.410 8.085 ( -1.187 -1.521 0.642) 2.033 8.263 ( 2.400 -0.501 -0.058) 2.453 8.281 ( 2.443 -2.232 -0.001) 3.309 8.665 ( -1.075 1.892 0.467) 2.226 8.684 ( -1.299 -0.155 0.408) 1.370 ======================= Grid point 89 (47/104) ======================= q-point: ( 0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 4.032 2.557 6.366) 7.957 0.957 ( -0.451 -0.625 2.733) 2.840 1.196 ( 3.895 6.828 1.415) 7.987 1.236 ( -0.776 2.126 1.426) 2.675 1.354 ( -1.945 2.771 -0.540) 3.428 1.451 ( 2.292 -3.233 1.232) 4.150 1.526 ( -5.197 -1.983 0.608) 5.596 1.542 ( -2.775 -0.981 -2.769) 4.041 1.635 ( 2.505 3.900 -4.484) 6.449 1.683 ( 1.982 -0.395 -2.485) 3.203 1.888 ( -0.349 4.031 -1.492) 4.312 1.966 ( 0.316 -3.349 -1.160) 3.559 2.081 ( -2.422 4.408 2.200) 5.490 2.157 ( -2.342 -2.889 0.398) 3.741 2.233 ( 3.567 1.655 2.381) 4.597 2.264 ( 3.101 -1.475 0.978) 3.570 2.504 ( -5.562 4.700 0.711) 7.317 2.588 ( -7.184 -3.108 0.320) 7.834 2.681 ( 0.270 3.542 1.540) 3.872 2.754 ( 0.629 -3.084 4.772) 5.716 2.966 ( 3.357 3.404 -1.002) 4.885 3.034 ( 4.740 -2.959 -1.617) 5.817 3.285 ( 1.593 6.012 1.478) 6.393 3.311 ( 2.639 4.082 0.335) 4.873 3.398 ( 3.520 6.115 0.069) 7.057 3.475 ( 1.867 -0.458 -1.585) 2.492 3.528 ( -1.908 3.980 -0.815) 4.488 3.561 ( -0.536 0.574 -0.648) 1.018 3.709 ( 0.636 6.212 -1.790) 6.496 3.764 ( -0.812 1.536 -2.451) 3.004 3.946 ( -0.231 3.522 -0.060) 3.530 4.062 ( -1.180 -5.148 1.221) 5.421 4.192 ( -1.179 -5.925 0.341) 6.051 4.237 ( 0.613 -10.013 -1.212) 10.105 6.192 ( 0.468 -0.550 -0.337) 0.797 6.211 ( 0.555 -2.248 -0.363) 2.344 8.060 ( -0.986 -0.028 0.818) 1.281 8.074 ( -0.218 -1.293 0.262) 1.338 8.317 ( 3.321 -0.439 -0.151) 3.353 8.334 ( 3.129 -2.101 0.132) 3.771 8.642 ( -1.621 1.907 0.275) 2.518 8.660 ( -1.468 -0.128 0.254) 1.496 ======================= Grid point 90 (48/104) ======================= q-point: ( 0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -1.981 4.138 3.163) 5.573 1.033 ( 2.757 -3.301 4.437) 6.179 1.200 ( -4.240 3.173 -0.398) 5.311 1.238 ( 0.294 0.393 0.828) 0.963 1.316 ( 0.895 6.825 0.144) 6.885 1.444 ( -2.773 -4.069 1.168) 5.061 1.489 ( 0.563 1.015 1.296) 1.740 1.530 ( -0.701 -0.644 1.739) 1.983 1.675 ( 4.861 3.035 -4.699) 7.411 1.714 ( 3.259 -0.346 -4.263) 5.377 1.886 ( 1.574 5.126 -2.134) 5.771 1.974 ( 1.264 -3.196 -1.413) 3.716 2.051 ( -2.195 3.868 2.006) 4.879 2.125 ( -1.377 -3.346 0.295) 3.630 2.320 ( 2.448 1.587 3.474) 4.536 2.341 ( 2.815 -1.012 4.069) 5.050 2.392 ( -4.987 1.504 -1.441) 5.404 2.447 ( -7.384 -3.078 -0.895) 8.050 2.712 ( 1.579 5.141 1.105) 5.490 2.792 ( 1.017 -2.300 2.480) 3.532 2.984 ( -0.086 3.772 -1.540) 4.075 3.057 ( -0.464 -2.777 -1.558) 3.218 3.322 ( 1.559 6.715 0.592) 6.919 3.351 ( 2.051 4.936 -0.634) 5.383 3.444 ( -1.502 5.517 -1.670) 5.957 3.465 ( 2.880 5.972 0.346) 6.639 3.519 ( 0.350 1.024 -1.298) 1.689 3.566 ( 0.561 -3.068 0.007) 3.119 3.718 ( 1.243 4.731 -1.118) 5.018 3.744 ( -0.101 1.942 -0.632) 2.045 3.946 ( 0.310 2.692 -0.749) 2.812 4.046 ( -1.403 -4.806 0.837) 5.076 4.168 ( -1.514 -4.905 0.346) 5.145 4.241 ( 0.611 -10.432 -1.075) 10.505 6.196 ( 0.267 -0.611 -0.553) 0.866 6.214 ( 0.246 -2.253 -0.609) 2.347 8.048 ( -0.828 0.685 0.876) 1.386 8.076 ( 0.096 -1.896 0.473) 1.957 8.369 ( 2.302 -0.415 -0.242) 2.352 8.384 ( 2.016 -1.803 0.196) 2.712 8.617 ( -1.097 1.943 0.096) 2.234 8.639 ( -0.908 -0.399 0.102) 0.997 ======================= Grid point 91 (49/104) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -2.616 5.040 1.732) 5.937 1.013 ( -5.174 -2.686 -0.086) 5.830 1.196 ( 2.412 4.045 3.180) 5.683 1.266 ( 1.310 0.078 1.754) 2.190 1.330 ( 0.679 2.750 0.089) 2.834 1.426 ( -1.659 -4.669 1.993) 5.341 1.482 ( -1.510 3.882 0.808) 4.243 1.529 ( -0.188 -0.216 1.129) 1.165 1.726 ( 2.669 2.002 -3.930) 5.155 1.741 ( 3.220 0.792 -3.564) 4.868 1.902 ( 1.129 4.239 -2.667) 5.134 1.974 ( -0.160 -2.286 -2.641) 3.497 2.029 ( -2.389 4.546 2.761) 5.831 2.112 ( -0.935 -2.821 1.862) 3.507 2.260 ( -3.464 3.004 -2.319) 5.138 2.331 ( -3.576 -3.968 -1.340) 5.507 2.396 ( 1.704 1.556 3.717) 4.375 2.442 ( 3.110 -3.239 4.081) 6.068 2.734 ( -0.269 5.388 0.445) 5.413 2.811 ( -0.518 -1.844 0.859) 2.099 2.965 ( -0.242 3.082 -2.103) 3.739 3.030 ( -0.410 -2.144 -1.623) 2.721 3.342 ( 0.161 6.442 0.254) 6.449 3.376 ( 0.763 5.902 0.115) 5.953 3.423 ( 0.591 4.467 -1.291) 4.687 3.496 ( 0.053 5.933 0.557) 5.959 3.523 ( 0.901 -0.182 -2.172) 2.359 3.561 ( -0.736 -2.058 -0.633) 2.275 3.735 ( 1.224 5.619 -0.076) 5.751 3.762 ( 1.541 2.227 1.271) 2.992 3.942 ( 0.016 1.311 -1.724) 2.166 4.019 ( -1.786 -4.354 -0.082) 4.707 4.149 ( -0.641 -4.306 0.207) 4.358 4.245 ( 0.432 -11.057 -0.946) 11.105 6.195 ( 0.012 -0.557 -0.743) 0.929 6.214 ( 0.143 -2.310 -0.748) 2.432 8.042 ( -0.416 1.293 0.782) 1.567 8.080 ( -0.020 -2.315 0.620) 2.397 8.390 ( 0.181 -0.524 -0.298) 0.629 8.403 ( -0.123 -1.575 0.277) 1.603 8.608 ( -0.022 1.927 0.050) 1.928 8.631 ( -0.028 -0.596 0.039) 0.598 ======================= Grid point 92 (50/104) ======================= q-point: (-0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.863 3.691 0.572) 4.174 0.932 ( -3.580 0.452 2.872) 4.612 1.242 ( -0.319 2.996 2.899) 4.181 1.271 ( -0.857 2.958 -0.775) 3.175 1.326 ( -3.820 1.943 1.499) 4.540 1.403 ( -0.093 -2.934 -0.316) 2.953 1.483 ( 1.675 2.858 -0.261) 3.323 1.540 ( 0.764 -1.341 0.082) 1.546 1.726 ( 0.070 2.785 -2.209) 3.555 1.768 ( 1.122 -1.310 -2.069) 2.693 1.903 ( 2.121 2.122 -3.348) 4.495 1.928 ( -1.269 0.092 -5.718) 5.858 2.014 ( -0.966 5.372 4.732) 7.224 2.102 ( -2.374 -1.873 4.162) 5.145 2.238 ( 1.334 2.307 -0.548) 2.721 2.303 ( 0.687 -4.440 -0.009) 4.493 2.451 ( 2.116 3.074 2.038) 4.253 2.515 ( 2.391 -3.550 3.639) 5.618 2.698 ( -3.131 3.909 -0.452) 5.029 2.770 ( -4.073 -2.796 -0.324) 4.951 2.958 ( 0.634 4.204 -1.633) 4.555 3.037 ( 1.499 -2.802 -1.591) 3.554 3.316 ( -3.012 5.948 -0.509) 6.687 3.368 ( -2.443 2.888 -0.597) 3.829 3.440 ( 1.522 5.146 -0.944) 5.449 3.483 ( -1.316 4.820 -0.577) 5.030 3.519 ( 0.453 0.919 -0.309) 1.070 3.556 ( 1.000 0.104 -0.146) 1.016 3.753 ( 0.038 7.690 0.309) 7.696 3.800 ( 1.554 3.334 1.144) 3.852 3.935 ( 0.856 -0.632 -1.323) 1.698 3.991 ( -0.783 -4.182 -0.596) 4.297 4.150 ( 0.671 -4.675 -0.175) 4.726 4.244 ( 0.213 -11.324 -0.940) 11.365 6.189 ( -0.082 -0.467 -0.716) 0.859 6.209 ( -0.104 -2.363 -0.903) 2.532 8.044 ( 0.081 1.455 0.704) 1.619 8.083 ( -0.058 -2.336 0.655) 2.427 8.372 ( -1.898 -0.808 -0.247) 2.078 8.383 ( -2.242 -1.655 0.426) 2.819 8.616 ( 0.912 1.971 0.060) 2.173 8.638 ( 0.792 -0.487 0.052) 0.931 ======================= Grid point 93 (51/104) ======================= q-point: (-0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -3.166 6.792 2.735) 7.977 0.931 ( 0.105 -0.645 3.544) 3.604 1.222 ( -4.018 2.981 2.909) 5.787 1.245 ( -0.903 3.680 -2.387) 4.478 1.252 ( -2.851 2.910 1.919) 4.503 1.393 ( -1.235 -5.420 -0.962) 5.642 1.494 ( -0.508 3.055 -2.277) 3.844 1.545 ( 1.493 -0.883 -4.256) 4.596 1.720 ( 0.894 3.328 -1.345) 3.699 1.777 ( 1.475 -2.332 -1.812) 3.301 1.899 ( 1.966 4.394 -1.734) 5.117 1.955 ( 4.281 -1.090 -2.639) 5.146 2.054 ( 2.067 3.081 4.982) 6.212 2.085 ( -2.268 0.686 3.740) 4.427 2.286 ( 3.667 1.551 1.243) 4.171 2.332 ( 1.067 -2.555 2.247) 3.565 2.482 ( 0.743 3.796 -0.362) 3.885 2.566 ( 0.503 -3.712 2.655) 4.591 2.653 ( -1.036 0.914 0.162) 1.391 2.690 ( -3.212 -2.742 -1.160) 4.380 2.942 ( -2.019 4.190 -1.378) 4.851 3.025 ( -2.620 -3.752 -1.373) 4.778 3.248 ( -3.470 4.424 -0.020) 5.622 3.283 ( -5.264 1.340 -0.855) 5.499 3.416 ( -4.007 6.543 1.244) 7.773 3.465 ( -0.962 2.778 -0.639) 3.009 3.555 ( 3.201 3.569 -0.268) 4.802 3.591 ( 2.649 1.248 -0.389) 2.954 3.736 ( -1.128 8.604 -0.725) 8.708 3.821 ( 0.540 2.838 -0.201) 2.896 3.964 ( 2.606 -0.710 -0.852) 2.832 3.992 ( 0.967 -3.075 0.123) 3.226 4.166 ( 1.270 -5.717 -0.599) 5.886 4.243 ( 0.375 -10.848 -1.096) 10.910 6.184 ( -0.101 -0.629 -0.542) 0.836 6.199 ( -0.417 -2.119 -0.815) 2.308 8.053 ( 0.419 1.267 0.584) 1.457 8.087 ( 0.115 -2.156 0.604) 2.242 8.326 ( -2.921 -1.151 -0.082) 3.140 8.334 ( -3.375 -1.741 0.495) 3.830 8.638 ( 1.321 1.983 0.099) 2.385 8.659 ( 1.316 -0.297 0.205) 1.365 ======================= Grid point 94 (52/104) ======================= q-point: (-0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -3.885 10.891 4.132) 12.279 0.950 ( 0.191 0.563 0.522) 0.791 1.169 ( -3.681 3.829 3.454) 6.336 1.214 ( 0.282 3.185 -2.093) 3.822 1.255 ( 0.607 -2.464 0.792) 2.658 1.352 ( -1.941 -8.263 -1.439) 8.609 1.483 ( 0.930 6.529 0.920) 6.659 1.558 ( 2.310 -0.925 -1.153) 2.743 1.730 ( 1.417 3.237 -3.593) 5.039 1.782 ( 1.164 -1.838 -4.277) 4.798 1.953 ( 2.429 3.513 0.598) 4.312 1.998 ( 0.818 -1.065 0.757) 1.542 2.076 ( 0.215 4.726 1.685) 5.023 2.132 ( 3.733 -0.600 0.307) 3.793 2.319 ( -3.230 3.233 1.237) 4.735 2.369 ( 0.125 -1.101 3.345) 3.523 2.507 ( 4.101 1.956 -0.908) 4.634 2.580 ( 3.192 -4.476 -0.221) 5.502 2.659 ( 0.771 -0.017 1.424) 1.620 2.670 ( 0.071 -1.161 1.093) 1.596 2.865 ( -5.605 2.396 -0.523) 6.118 2.927 ( -6.957 -3.627 0.727) 7.880 3.210 ( -2.081 2.632 1.192) 3.561 3.212 ( -1.356 2.506 1.087) 3.049 3.348 ( -3.964 7.601 1.670) 8.734 3.428 ( -2.759 0.616 0.865) 2.957 3.599 ( 1.992 4.017 -1.961) 4.894 3.627 ( 1.605 1.996 -1.494) 2.965 3.723 ( 0.138 9.328 -0.471) 9.341 3.825 ( 0.718 1.469 -1.869) 2.484 3.990 ( 1.088 0.996 -1.955) 2.449 4.023 ( 1.730 -2.384 1.290) 3.216 4.184 ( 1.196 -6.784 -0.852) 6.941 4.244 ( 0.578 -10.095 -1.327) 10.198 6.179 ( -0.043 -0.869 -0.365) 0.944 6.188 ( -0.257 -1.739 -0.328) 1.788 8.063 ( 0.429 1.069 0.290) 1.188 8.095 ( 0.216 -2.119 0.595) 2.211 8.274 ( -2.742 -1.183 0.314) 3.003 8.280 ( -2.391 -1.784 0.063) 2.984 8.661 ( 0.962 1.993 0.268) 2.229 8.684 ( 1.071 -0.361 0.394) 1.197 ======================= Grid point 119 (53/104) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -2.434 0.000 11.962) 12.207 0.758 ( -18.037 0.000 18.285) 25.685 0.865 ( -1.686 0.000 11.221) 11.347 1.158 ( 2.091 0.000 23.132) 23.226 1.231 ( -0.427 0.000 -5.627) 5.644 1.319 ( -1.738 0.000 5.535) 5.802 1.374 ( 4.082 0.000 -7.843) 8.842 1.375 ( 15.594 0.000 -7.863) 17.464 1.517 ( 2.855 0.000 -0.790) 2.962 1.616 ( 6.208 0.000 5.552) 8.329 1.757 ( -2.199 0.000 -7.768) 8.073 1.930 ( -1.541 0.000 -2.456) 2.899 1.987 ( 0.688 0.000 1.404) 1.564 2.103 ( -2.853 0.000 -0.932) 3.001 2.153 ( 0.431 0.000 -5.217) 5.235 2.324 ( -0.868 0.000 0.662) 1.092 2.503 ( -2.624 0.000 -1.725) 3.141 2.549 ( -1.919 0.000 0.994) 2.161 2.694 ( 1.091 0.000 -1.313) 1.707 2.729 ( -1.554 0.000 -2.361) 2.827 2.806 ( 8.827 0.000 0.459) 8.839 2.848 ( -0.983 0.000 -0.852) 1.301 2.951 ( -1.390 0.000 4.328) 4.546 3.025 ( -3.243 0.000 -3.339) 4.655 3.044 ( -0.151 0.000 -0.490) 0.512 3.171 ( 0.705 0.000 2.493) 2.590 3.299 ( 1.212 0.000 -2.741) 2.998 3.412 ( -6.214 0.000 -4.940) 7.938 3.481 ( 2.450 0.000 4.731) 5.327 3.601 ( 0.532 0.000 -0.471) 0.711 4.259 ( 2.696 0.000 1.175) 2.941 4.338 ( -3.129 0.000 0.849) 3.242 4.571 ( -0.213 0.000 0.931) 0.955 4.683 ( 2.950 0.000 -3.557) 4.621 6.287 ( -0.025 0.000 0.254) 0.255 6.323 ( 0.465 0.000 -0.136) 0.484 8.115 ( 0.448 0.000 1.484) 1.550 8.309 ( 0.082 0.000 -0.571) 0.577 8.370 ( -0.130 0.000 0.365) 0.387 8.406 ( -0.994 0.000 -0.937) 1.366 8.482 ( -3.368 0.000 -0.567) 3.416 8.734 ( 0.595 0.000 0.139) 0.611 ======================= Grid point 120 (54/104) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -14.023 0.000 16.933) 21.986 0.669 ( -0.431 0.000 10.166) 10.175 0.905 ( -1.614 0.000 10.320) 10.446 1.172 ( -2.576 0.000 -4.436) 5.130 1.290 ( -3.528 0.000 2.663) 4.421 1.346 ( 3.497 0.000 5.364) 6.404 1.392 ( 2.591 0.000 -7.577) 8.008 1.498 ( 2.549 0.000 -3.404) 4.253 1.572 ( 3.453 0.000 1.325) 3.699 1.659 ( -3.409 0.000 -7.381) 8.131 1.722 ( 1.312 0.000 2.905) 3.187 1.945 ( 3.171 0.000 3.923) 5.044 2.016 ( 1.479 0.000 0.956) 1.761 2.058 ( 1.617 0.000 -4.134) 4.439 2.183 ( 5.186 0.000 -3.389) 6.195 2.293 ( -3.386 0.000 1.092) 3.557 2.460 ( -0.106 0.000 2.865) 2.867 2.536 ( -0.473 0.000 1.633) 1.701 2.634 ( -5.565 0.000 -1.101) 5.673 2.704 ( 0.934 0.000 -1.332) 1.627 2.845 ( -1.550 0.000 -9.024) 9.157 2.943 ( -1.167 0.000 -0.832) 1.433 2.955 ( -1.227 0.000 4.344) 4.514 2.984 ( 8.738 0.000 1.496) 8.865 3.031 ( -0.821 0.000 -0.566) 0.997 3.195 ( 0.507 0.000 1.405) 1.494 3.293 ( -5.384 0.000 2.288) 5.850 3.300 ( 0.985 0.000 -3.096) 3.249 3.574 ( 3.981 0.000 2.177) 4.538 3.614 ( 2.587 0.000 -2.403) 3.531 4.200 ( -5.142 0.000 0.160) 5.144 4.368 ( 1.298 0.000 1.777) 2.201 4.569 ( -0.788 0.000 1.325) 1.542 4.685 ( 0.412 0.000 -5.076) 5.093 6.292 ( 0.460 0.000 -0.035) 0.462 6.334 ( 0.856 0.000 -0.741) 1.132 8.125 ( -0.069 0.000 0.643) 0.647 8.313 ( 0.659 0.000 -0.446) 0.796 8.334 ( -5.854 0.000 1.924) 6.162 8.372 ( 0.182 0.000 0.345) 0.390 8.480 ( 2.033 0.000 1.371) 2.452 8.743 ( 0.437 0.000 -0.769) 0.884 ======================= Grid point 121 (55/104) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 12.084 0.000 3.735) 12.648 0.731 ( 1.448 0.000 5.601) 5.785 0.928 ( -2.954 0.000 9.757) 10.194 1.088 ( -4.160 0.000 -2.230) 4.720 1.236 ( -4.445 0.000 3.308) 5.541 1.278 ( -4.063 0.000 -15.609) 16.129 1.383 ( 3.173 0.000 -10.372) 10.847 1.521 ( -0.291 0.000 1.793) 1.817 1.549 ( -3.835 0.000 -6.757) 7.770 1.655 ( 3.836 0.000 3.648) 5.294 1.729 ( -2.486 0.000 4.696) 5.313 1.995 ( -1.296 0.000 4.428) 4.614 2.044 ( 1.021 0.000 0.286) 1.060 2.086 ( 0.985 0.000 1.647) 1.919 2.241 ( -0.638 0.000 -1.142) 1.308 2.285 ( 5.336 0.000 -3.980) 6.657 2.543 ( 4.212 0.000 2.199) 4.751 2.549 ( 0.445 0.000 2.181) 2.226 2.575 ( 1.149 0.000 3.943) 4.107 2.696 ( -5.513 0.000 -6.396) 8.444 2.712 ( 0.736 0.000 -1.087) 1.313 2.955 ( -1.626 0.000 3.368) 3.740 2.962 ( 1.674 0.000 -0.626) 1.787 3.016 ( -0.532 0.000 0.349) 0.636 3.105 ( 0.859 0.000 5.330) 5.399 3.204 ( -0.028 0.000 -0.057) 0.064 3.242 ( -1.076 0.000 1.538) 1.877 3.295 ( 0.788 0.000 -3.476) 3.565 3.601 ( 0.534 0.000 -1.883) 1.957 3.691 ( 5.622 0.000 -2.669) 6.224 4.123 ( -3.021 0.000 -0.759) 3.115 4.371 ( -1.918 0.000 1.217) 2.272 4.559 ( -1.457 0.000 2.021) 2.491 4.650 ( -0.334 0.000 -4.513) 4.526 6.299 ( 0.502 0.000 -0.708) 0.868 6.342 ( 0.618 0.000 -0.873) 1.069 8.125 ( 0.197 0.000 -0.528) 0.564 8.238 ( -6.384 0.000 2.522) 6.865 8.326 ( 0.968 0.000 -0.266) 1.004 8.379 ( 0.285 0.000 0.296) 0.411 8.543 ( 3.250 0.000 1.771) 3.701 8.746 ( 0.644 0.000 -0.577) 0.865 ======================= Grid point 122 (56/104) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.130 0.000 -0.671) 0.683 0.841 ( 12.536 0.000 -10.033) 16.056 0.920 ( -4.544 0.000 9.719) 10.729 1.018 ( -2.770 0.000 2.209) 3.543 1.101 ( -3.191 0.000 -13.211) 13.591 1.185 ( -2.862 0.000 2.506) 3.805 1.384 ( 3.992 0.000 -10.814) 11.527 1.446 ( -2.833 0.000 -5.775) 6.432 1.504 ( 0.389 0.000 -2.186) 2.220 1.708 ( -2.532 0.000 4.149) 4.861 1.748 ( 3.412 0.000 4.945) 6.008 2.001 ( -1.362 0.000 4.895) 5.080 2.051 ( -0.055 0.000 -0.880) 0.881 2.065 ( -3.450 0.000 0.790) 3.540 2.201 ( -4.316 0.000 0.473) 4.342 2.312 ( 1.633 0.000 -4.789) 5.059 2.559 ( -1.516 0.000 4.333) 4.590 2.574 ( 0.611 0.000 2.510) 2.583 2.649 ( 3.126 0.000 -0.912) 3.256 2.716 ( 0.376 0.000 -0.927) 1.001 2.736 ( 7.227 0.000 5.036) 8.809 2.942 ( -1.460 0.000 2.206) 2.645 2.974 ( -1.152 0.000 1.896) 2.218 3.016 ( -0.292 0.000 1.663) 1.688 3.087 ( -2.273 0.000 2.097) 3.092 3.194 ( -0.561 0.000 -1.195) 1.320 3.277 ( 2.753 0.000 -0.362) 2.777 3.286 ( 0.681 0.000 -3.662) 3.725 3.594 ( 0.697 0.000 -3.337) 3.409 3.747 ( 2.390 0.000 -3.837) 4.521 4.086 ( -0.808 0.000 0.042) 0.809 4.324 ( -3.268 0.000 -0.154) 3.272 4.540 ( -2.413 0.000 2.980) 3.834 4.636 ( 1.709 0.000 -3.529) 3.921 6.300 ( 0.134 0.000 -1.041) 1.050 6.345 ( 0.359 0.000 -1.104) 1.161 8.117 ( -2.064 0.000 -0.145) 2.069 8.154 ( -2.508 0.000 0.626) 2.585 8.341 ( 0.840 0.000 -0.115) 0.848 8.384 ( 0.105 0.000 0.228) 0.251 8.598 ( 1.698 0.000 0.916) 1.930 8.766 ( 1.396 0.000 0.839) 1.629 ======================= Grid point 123 (57/104) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -3.412 0.000 -2.521) 4.242 0.742 ( -8.026 0.000 -17.678) 19.415 0.892 ( -5.614 0.000 11.244) 12.568 1.027 ( 0.959 0.000 4.054) 4.166 1.048 ( -1.636 0.000 -6.867) 7.059 1.175 ( 0.716 0.000 0.827) 1.094 1.356 ( 0.236 0.000 -8.746) 8.749 1.414 ( 2.953 0.000 -6.483) 7.124 1.573 ( 5.246 0.000 -1.342) 5.415 1.698 ( 2.692 0.000 -1.107) 2.911 1.834 ( 2.391 0.000 5.409) 5.914 1.969 ( -3.067 0.000 1.833) 3.573 2.031 ( -0.971 0.000 -2.597) 2.772 2.035 ( -2.432 0.000 1.543) 2.880 2.116 ( -5.221 0.000 6.276) 8.164 2.306 ( -0.748 0.000 -0.414) 0.854 2.563 ( -1.887 0.000 4.309) 4.704 2.600 ( 0.447 0.000 2.705) 2.741 2.681 ( 0.593 0.000 0.199) 0.626 2.711 ( -0.260 0.000 -1.139) 1.168 2.866 ( 3.470 0.000 4.192) 5.442 2.938 ( -0.492 0.000 2.135) 2.191 2.956 ( -1.643 0.000 2.271) 2.803 3.020 ( -0.613 0.000 2.014) 2.106 3.113 ( 5.122 0.000 -2.696) 5.789 3.172 ( -0.929 0.000 -1.432) 1.707 3.277 ( 0.846 0.000 -3.533) 3.633 3.309 ( 1.493 0.000 -1.474) 2.098 3.589 ( 1.088 0.000 -3.430) 3.599 3.725 ( -1.896 0.000 -3.694) 4.152 4.093 ( 1.022 0.000 1.058) 1.470 4.271 ( -2.048 0.000 -0.448) 2.097 4.518 ( -1.990 0.000 3.153) 3.729 4.659 ( 2.805 0.000 -3.104) 4.184 6.293 ( -0.259 0.000 -0.669) 0.718 6.342 ( 0.385 0.000 -1.614) 1.659 8.064 ( -2.771 0.000 1.317) 3.068 8.154 ( 1.402 0.000 -0.985) 1.714 8.351 ( 0.244 0.000 -0.129) 0.276 8.385 ( -0.155 0.000 0.226) 0.274 8.613 ( -0.415 0.000 0.417) 0.588 8.798 ( 1.228 0.000 1.152) 1.683 ======================= Grid point 124 (58/104) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -9.792 0.000 -9.550) 13.678 0.646 ( -3.930 0.000 1.241) 4.122 0.863 ( -5.898 0.000 12.484) 13.807 0.946 ( -3.384 0.000 -4.578) 5.693 1.086 ( 2.548 0.000 4.291) 4.991 1.212 ( 3.267 0.000 -1.701) 3.684 1.327 ( 2.534 0.000 -8.010) 8.401 1.430 ( 2.670 0.000 -5.330) 5.961 1.521 ( -4.888 0.000 -4.209) 6.451 1.847 ( 6.199 0.000 -2.784) 6.796 1.879 ( -9.631 0.000 8.832) 13.067 1.895 ( 0.771 0.000 4.478) 4.544 1.989 ( -1.060 0.000 -4.164) 4.297 2.010 ( 1.487 0.000 3.952) 4.223 2.127 ( 0.418 0.000 4.462) 4.482 2.293 ( 0.233 0.000 -0.146) 0.275 2.533 ( -2.449 0.000 0.264) 2.463 2.623 ( 0.136 0.000 2.989) 2.992 2.691 ( -0.888 0.000 -1.886) 2.085 2.697 ( 1.088 0.000 0.366) 1.148 2.885 ( -2.934 0.000 -0.585) 2.991 2.949 ( -0.086 0.000 2.589) 2.591 2.953 ( 0.217 0.000 1.490) 1.506 3.020 ( -0.576 0.000 1.673) 1.769 3.148 ( -0.969 0.000 -0.578) 1.128 3.211 ( 5.022 0.000 0.764) 5.080 3.274 ( 1.230 0.000 -3.123) 3.356 3.322 ( 2.705 0.000 -4.632) 5.364 3.586 ( 0.703 0.000 -3.034) 3.114 3.651 ( -4.033 0.000 -1.379) 4.262 4.123 ( 1.297 0.000 -0.347) 1.343 4.260 ( 1.080 0.000 2.185) 2.438 4.512 ( -0.587 0.000 2.513) 2.581 4.683 ( 1.892 0.000 -3.737) 4.188 6.285 ( -0.214 0.000 -0.096) 0.235 6.339 ( 0.298 0.000 -1.683) 1.709 8.047 ( -0.343 0.000 2.014) 2.043 8.187 ( 2.898 0.000 -0.304) 2.914 8.347 ( -0.498 0.000 -0.341) 0.604 8.383 ( -0.310 0.000 0.330) 0.453 8.594 ( -1.895 0.000 0.737) 2.033 8.816 ( 0.248 0.000 -0.152) 0.291 ======================= Grid point 125 (59/104) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 2.616 0.000 14.469) 14.704 0.606 ( -3.144 0.000 6.249) 6.996 0.839 ( -5.411 0.000 13.033) 14.111 0.933 ( 6.019 0.000 -4.284) 7.388 1.167 ( 3.311 0.000 4.430) 5.531 1.256 ( 3.134 0.000 -3.592) 4.767 1.344 ( 4.799 0.000 -8.794) 10.019 1.423 ( -4.568 0.000 0.939) 4.663 1.443 ( 1.578 0.000 -2.246) 2.745 1.624 ( -18.768 0.000 11.070) 21.790 1.896 ( -1.322 0.000 -3.187) 3.451 1.965 ( 0.042 0.000 0.428) 0.430 1.975 ( 3.868 0.000 -1.706) 4.227 2.093 ( 3.396 0.000 5.572) 6.525 2.152 ( 0.755 0.000 0.528) 0.921 2.298 ( 0.281 0.000 -2.940) 2.953 2.522 ( 2.520 0.000 -1.257) 2.816 2.630 ( -2.185 0.000 2.761) 3.521 2.668 ( 0.709 0.000 -2.395) 2.498 2.717 ( 0.958 0.000 -1.154) 1.500 2.789 ( -5.615 0.000 -2.406) 6.109 2.957 ( -0.611 0.000 -0.204) 0.644 2.957 ( -1.154 0.000 3.320) 3.515 3.026 ( 0.507 0.000 0.719) 0.880 3.135 ( -0.488 0.000 1.102) 1.205 3.214 ( -4.260 0.000 -0.809) 4.336 3.281 ( 1.481 0.000 -2.732) 3.108 3.395 ( 6.042 0.000 -1.995) 6.363 3.557 ( -1.409 0.000 -3.426) 3.704 3.601 ( -1.118 0.000 1.710) 2.043 4.120 ( 0.144 0.000 -1.984) 1.989 4.342 ( 4.566 0.000 3.806) 5.944 4.528 ( 0.943 0.000 1.648) 1.899 4.673 ( -0.403 0.000 -3.885) 3.906 6.285 ( 0.093 0.000 0.230) 0.248 6.331 ( -0.151 0.000 -1.083) 1.093 8.066 ( 0.827 0.000 1.902) 2.074 8.265 ( 5.638 0.000 1.197) 5.763 8.332 ( -0.763 0.000 -0.525) 0.926 8.378 ( -0.454 0.000 0.381) 0.593 8.561 ( -2.223 0.000 1.189) 2.521 8.802 ( -1.061 0.000 -2.213) 2.454 ======================= Grid point 126 (60/104) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -2.911 0.000 10.360) 10.762 0.663 ( 8.632 0.000 23.751) 25.271 0.837 ( -3.566 0.000 12.440) 12.940 1.103 ( 15.233 0.000 -7.400) 16.935 1.244 ( 2.748 0.000 -1.256) 3.021 1.265 ( -21.257 0.000 21.167) 29.998 1.280 ( 1.161 0.000 1.992) 2.305 1.367 ( 3.821 0.000 -9.899) 10.611 1.470 ( 2.446 0.000 -0.084) 2.448 1.494 ( 2.439 0.000 2.010) 3.161 1.836 ( -1.438 0.000 -7.171) 7.314 1.973 ( -0.128 0.000 1.883) 1.887 1.986 ( -1.245 0.000 -2.603) 2.885 2.118 ( -1.071 0.000 1.120) 1.550 2.189 ( 0.929 0.000 -1.151) 1.479 2.306 ( 3.242 0.000 -1.770) 3.694 2.549 ( -1.758 0.000 -0.864) 1.959 2.589 ( -2.908 0.000 0.808) 3.018 2.681 ( 1.274 0.000 -1.092) 1.678 2.693 ( 2.688 0.000 -3.047) 4.063 2.742 ( 0.588 0.000 -2.190) 2.267 2.920 ( -4.012 0.000 0.539) 4.048 2.953 ( -1.650 0.000 3.896) 4.231 3.041 ( 0.653 0.000 -0.087) 0.659 3.108 ( -5.033 0.000 -2.212) 5.497 3.145 ( 0.292 0.000 2.502) 2.518 3.291 ( 1.432 0.000 -2.600) 2.968 3.439 ( -0.315 0.000 2.860) 2.877 3.524 ( -0.737 0.000 -6.166) 6.210 3.600 ( -0.336 0.000 0.597) 0.685 4.154 ( 4.754 0.000 0.930) 4.844 4.402 ( -0.738 0.000 -0.288) 0.792 4.560 ( 1.146 0.000 0.952) 1.490 4.648 ( 0.971 0.000 -1.420) 1.720 6.288 ( -0.041 0.000 0.194) 0.199 6.322 ( -0.271 0.000 -0.147) 0.308 8.093 ( 0.883 0.000 1.536) 1.772 8.317 ( -0.492 0.000 -0.601) 0.777 8.372 ( -0.407 0.000 0.377) 0.555 8.376 ( 4.736 0.000 -0.083) 4.737 8.536 ( -1.302 0.000 -0.032) 1.303 8.753 ( -2.229 0.000 -2.201) 3.132 ======================= Grid point 127 (61/104) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -9.072 5.478 13.054) 16.815 0.774 ( -4.611 1.804 16.487) 17.215 0.956 ( 1.109 7.961 2.830) 8.521 1.181 ( -4.463 2.219 4.432) 6.670 1.301 ( 5.755 1.033 -2.391) 6.316 1.330 ( 1.453 2.391 7.010) 7.548 1.393 ( 2.979 1.934 -7.653) 8.437 1.443 ( 2.576 8.950 3.161) 9.836 1.532 ( 5.252 0.865 -3.720) 6.494 1.657 ( 2.348 3.361 1.586) 4.395 1.784 ( 1.473 3.675 -3.138) 5.052 1.927 ( -2.288 0.061 -0.797) 2.424 2.035 ( 1.958 2.902 0.287) 3.512 2.095 ( -1.062 -0.620 0.486) 1.322 2.138 ( -0.995 -0.553 -3.547) 3.725 2.344 ( -1.759 3.056 -0.326) 3.541 2.471 ( -2.758 -2.153 -3.038) 4.634 2.665 ( -0.220 6.772 1.095) 6.864 2.701 ( -2.681 1.148 -1.098) 3.116 2.784 ( 7.275 -1.501 0.510) 7.446 2.796 ( -1.420 -1.755 0.324) 2.281 2.846 ( 1.761 11.046 -0.825) 11.216 2.931 ( -2.403 -2.714 0.952) 3.748 3.087 ( -2.213 6.824 2.925) 7.748 3.162 ( 1.098 5.657 -2.472) 6.271 3.221 ( 0.687 4.675 1.171) 4.868 3.330 ( -0.398 4.601 -2.765) 5.383 3.424 ( -3.256 1.356 -4.751) 5.918 3.472 ( 1.807 -0.684 4.082) 4.516 3.602 ( 0.442 0.634 -0.774) 1.093 4.178 ( 0.570 -7.050 1.718) 7.278 4.288 ( -0.433 -4.229 1.311) 4.449 4.515 ( 0.213 -5.322 0.561) 5.355 4.609 ( 1.639 -6.457 -2.178) 7.008 6.263 ( 0.054 -2.196 0.084) 2.198 6.300 ( 0.428 -2.177 0.014) 2.219 8.081 ( 0.404 -2.042 0.810) 2.234 8.266 ( -0.338 -3.772 0.376) 3.806 8.348 ( -1.853 -2.094 1.062) 2.991 8.383 ( 0.739 -2.620 -0.720) 2.816 8.536 ( -1.512 4.462 -0.522) 4.740 8.716 ( 0.166 -1.039 0.639) 1.231 ======================= Grid point 128 (62/104) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -6.970 7.358 12.441) 16.046 0.837 ( -0.443 11.439 10.435) 15.490 0.988 ( -1.137 6.788 6.596) 9.533 1.144 ( -1.438 -2.199 -1.715) 3.137 1.292 ( -2.727 0.967 0.617) 2.958 1.376 ( 1.108 1.452 -8.910) 9.095 1.429 ( 3.681 2.181 1.243) 4.456 1.506 ( 0.437 1.259 -1.544) 2.040 1.556 ( 1.285 -0.246 -2.332) 2.673 1.666 ( -0.492 3.459 0.602) 3.545 1.805 ( -1.490 4.112 -1.320) 4.568 1.952 ( 3.558 1.974 6.527) 7.691 2.063 ( -1.140 1.771 -1.512) 2.593 2.080 ( 2.555 2.273 -0.226) 3.427 2.154 ( 5.491 -1.982 -3.233) 6.673 2.307 ( -2.670 3.223 -0.830) 4.266 2.409 ( -0.884 -3.807 2.325) 4.547 2.617 ( -4.829 0.449 -0.589) 4.886 2.662 ( -1.045 7.521 1.052) 7.665 2.773 ( -1.367 1.471 -2.701) 3.366 2.857 ( -0.324 9.041 -0.476) 9.059 2.902 ( 1.731 -2.610 -0.344) 3.151 2.964 ( 7.939 -0.709 -0.172) 7.973 3.081 ( -0.845 7.321 4.102) 8.434 3.122 ( -2.628 5.512 -3.127) 6.861 3.231 ( -0.953 2.248 1.529) 2.881 3.298 ( -0.991 6.029 -1.589) 6.313 3.371 ( -0.465 3.725 -1.508) 4.045 3.560 ( 4.699 -1.284 2.352) 5.409 3.609 ( 1.563 -0.017 -2.498) 2.947 4.139 ( -3.753 -5.382 0.686) 6.597 4.319 ( 1.099 -4.517 1.203) 4.802 4.518 ( -0.433 -4.989 0.987) 5.104 4.608 ( 0.289 -6.848 -3.628) 7.755 6.267 ( 0.444 -2.248 -0.157) 2.297 6.310 ( 0.769 -2.195 -0.540) 2.388 8.095 ( 0.738 -1.912 0.210) 2.060 8.241 ( -2.938 -4.285 1.360) 5.370 8.338 ( 0.169 -0.783 0.813) 1.142 8.398 ( 1.086 -0.973 -0.410) 1.515 8.518 ( -0.270 4.457 1.080) 4.594 8.716 ( -0.321 -1.885 -0.081) 1.913 ======================= Grid point 129 (63/104) ======================= q-point: ( 0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 10.960 9.100 2.907) 14.539 0.876 ( -0.710 10.543 4.624) 11.534 0.997 ( -2.715 6.065 7.728) 10.192 1.094 ( -2.335 0.854 -3.740) 4.491 1.244 ( -3.481 0.678 3.278) 4.829 1.315 ( -1.034 3.838 -10.643) 11.361 1.433 ( 1.262 2.823 -10.282) 10.737 1.487 ( 0.491 -1.540 -0.451) 1.678 1.583 ( -0.744 1.743 -2.011) 2.763 1.654 ( -0.005 2.393 3.581) 4.307 1.754 ( -3.404 0.537 1.684) 3.836 2.009 ( -1.793 1.394 3.174) 3.903 2.048 ( -0.822 0.890 4.025) 4.203 2.120 ( 2.264 1.383 -2.179) 3.433 2.247 ( 0.204 -0.167 2.006) 2.024 2.277 ( 5.053 2.216 -6.228) 8.320 2.479 ( 4.703 -4.782 4.218) 7.923 2.559 ( -0.587 0.673 0.679) 1.122 2.619 ( -3.890 0.218 -0.234) 3.903 2.732 ( -1.150 8.699 0.638) 8.798 2.830 ( -1.228 8.081 -0.443) 8.186 2.947 ( 2.826 0.703 -0.925) 3.056 3.053 ( 1.500 3.473 0.092) 3.784 3.066 ( -2.152 4.097 -0.029) 4.628 3.114 ( -0.552 3.435 5.341) 6.375 3.212 ( 0.256 0.915 -0.610) 1.129 3.288 ( 0.089 7.227 -0.366) 7.237 3.364 ( 0.546 4.225 -1.837) 4.640 3.602 ( 0.594 0.584 -1.602) 1.806 3.668 ( 5.413 -2.083 -2.266) 6.227 4.082 ( -2.412 -3.734 -0.479) 4.471 4.321 ( -1.583 -4.698 0.735) 5.012 4.510 ( -1.413 -4.796 1.817) 5.320 4.585 ( 0.108 -6.161 -3.855) 7.268 6.274 ( 0.468 -2.309 -0.629) 2.439 6.318 ( 0.547 -2.269 -0.841) 2.481 8.109 ( 0.773 -1.265 -0.470) 1.555 8.185 ( -4.108 -3.464 1.782) 5.661 8.354 ( 0.982 1.000 0.341) 1.442 8.409 ( 0.262 1.432 -0.151) 1.464 8.541 ( 1.620 0.780 1.539) 2.367 8.712 ( 0.158 -2.732 -0.163) 2.741 ======================= Grid point 130 (64/104) ======================= q-point: ( 0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.591 4.686 -4.675) 6.807 0.890 ( 4.988 6.062 -2.542) 8.252 0.998 ( -1.003 6.748 5.936) 9.043 1.043 ( 0.904 3.661 -2.043) 4.289 1.210 ( -2.355 4.816 -2.252) 5.815 1.232 ( -2.002 7.218 -0.375) 7.499 1.417 ( 2.641 2.063 -7.229) 7.968 1.460 ( -0.915 1.285 -5.780) 5.992 1.556 ( 1.835 5.482 -2.672) 6.369 1.676 ( -1.108 -0.959 4.194) 4.443 1.747 ( 1.226 -2.097 2.987) 3.850 1.991 ( -2.005 -0.177 2.407) 3.138 2.029 ( -3.896 0.852 3.333) 5.197 2.123 ( 0.199 1.041 -3.906) 4.047 2.209 ( -3.999 1.132 0.418) 4.177 2.319 ( 1.727 1.742 -2.632) 3.598 2.537 ( -0.301 -2.490 3.313) 4.155 2.585 ( 2.333 -0.764 -0.070) 2.456 2.657 ( 5.241 -3.364 5.773) 8.491 2.725 ( -1.479 8.118 2.481) 8.616 2.810 ( -0.804 5.921 -0.157) 5.978 2.982 ( -0.155 3.084 2.167) 3.772 3.025 ( -2.426 -1.037 0.176) 2.644 3.060 ( 0.422 8.712 -0.758) 8.755 3.110 ( 0.424 3.825 1.014) 3.980 3.245 ( 2.181 1.148 -1.574) 2.924 3.288 ( 0.063 7.095 0.319) 7.102 3.365 ( 0.905 4.493 -2.024) 5.010 3.599 ( 0.758 0.864 -2.846) 3.069 3.724 ( 2.258 -2.071 -3.282) 4.490 4.052 ( -0.678 -3.142 0.002) 3.214 4.279 ( -2.799 -4.195 -0.325) 5.053 4.490 ( -2.308 -4.885 2.683) 6.032 4.579 ( 1.778 -5.478 -3.171) 6.575 6.275 ( 0.122 -2.281 -0.908) 2.458 6.319 ( 0.320 -2.357 -1.097) 2.619 8.100 ( -2.455 -1.471 0.299) 2.878 8.140 ( -0.550 -0.996 0.220) 1.159 8.372 ( 0.802 2.034 0.043) 2.187 8.410 ( -0.071 1.965 0.079) 1.968 8.576 ( 1.116 -1.555 0.701) 2.038 8.725 ( 1.064 -3.432 0.844) 3.690 ======================= Grid point 131 (65/104) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -5.960 3.748 -8.162) 10.780 0.856 ( -3.219 6.877 -0.827) 7.638 0.978 ( -4.172 7.654 4.589) 9.851 1.068 ( -0.577 5.346 -4.836) 7.232 1.158 ( -1.838 7.769 1.175) 8.069 1.238 ( 1.523 5.651 1.267) 5.988 1.406 ( -0.388 1.745 -3.506) 3.935 1.436 ( 3.626 4.297 -8.196) 9.939 1.634 ( 2.468 4.977 -0.924) 5.631 1.690 ( 5.493 0.872 -1.175) 5.684 1.792 ( 0.678 -4.465 4.106) 6.103 1.950 ( -2.886 -2.453 -1.421) 4.045 1.987 ( -1.389 1.393 2.725) 3.361 2.096 ( -1.522 -0.400 0.959) 1.843 2.144 ( -3.639 3.602 2.193) 5.570 2.319 ( -1.109 2.144 0.029) 2.414 2.536 ( -2.882 -2.731 3.960) 5.608 2.632 ( 2.015 -1.923 0.737) 2.882 2.710 ( -0.246 7.500 1.917) 7.745 2.766 ( 2.137 0.267 2.246) 3.112 2.808 ( 0.792 0.222 2.426) 2.562 2.936 ( -4.466 0.568 2.326) 5.068 3.026 ( 0.861 4.217 -0.528) 4.337 3.078 ( 1.619 6.221 -0.770) 6.475 3.146 ( 3.426 3.949 -1.568) 5.458 3.251 ( 0.878 4.599 -2.958) 5.538 3.298 ( 0.462 4.376 0.527) 4.432 3.367 ( 0.588 4.755 -2.043) 5.208 3.598 ( 1.121 1.233 -2.734) 3.202 3.704 ( -1.916 -1.854 -3.250) 4.203 4.058 ( 0.934 -3.221 0.718) 3.429 4.233 ( -1.808 -3.647 -0.423) 4.092 4.468 ( -1.839 -4.791 2.914) 5.901 4.601 ( 2.417 -5.635 -2.807) 6.743 6.268 ( -0.196 -2.200 -0.630) 2.297 6.317 ( 0.309 -2.390 -1.482) 2.829 8.057 ( -2.131 -0.565 1.153) 2.488 8.148 ( 1.039 -0.633 -0.690) 1.399 8.382 ( 0.393 2.386 -0.184) 2.425 8.408 ( -0.185 1.918 0.216) 1.939 8.585 ( -0.405 -2.137 0.333) 2.201 8.751 ( 0.813 -4.129 1.073) 4.343 ======================= Grid point 132 (66/104) ======================= q-point: (-0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -7.634 8.025 -5.040) 12.169 0.814 ( -0.864 12.423 0.002) 12.453 0.944 ( -4.122 6.047 9.844) 12.266 0.977 ( -4.624 5.005 -2.451) 7.241 1.168 ( 0.939 6.278 3.450) 7.225 1.283 ( 3.208 5.674 -2.428) 6.955 1.393 ( 1.591 3.500 -4.221) 5.709 1.446 ( 2.014 3.949 -5.902) 7.381 1.567 ( -4.397 3.635 -3.744) 6.824 1.776 ( -3.977 -3.730 1.538) 5.665 1.846 ( 5.786 0.278 1.196) 5.914 1.925 ( 0.796 -5.477 -0.249) 5.540 2.003 ( -0.253 5.426 4.303) 6.930 2.085 ( -3.213 1.439 7.770) 8.530 2.109 ( 1.145 2.676 -2.937) 4.135 2.292 ( -0.721 0.587 0.079) 0.933 2.500 ( -1.801 -2.720 0.452) 3.294 2.668 ( 1.488 -1.559 1.036) 2.391 2.721 ( -0.599 5.574 1.802) 5.889 2.781 ( 0.917 8.662 -1.341) 8.812 2.856 ( 0.629 -4.310 1.490) 4.604 2.867 ( -4.340 -2.042 3.054) 5.687 3.025 ( -0.769 5.539 0.426) 5.608 3.097 ( 0.805 5.450 -0.514) 5.533 3.186 ( 1.716 3.868 -2.679) 5.008 3.276 ( 2.393 5.412 0.849) 5.978 3.301 ( 1.171 1.136 -2.616) 3.083 3.361 ( 0.692 5.421 -2.917) 6.195 3.602 ( 0.804 1.766 -2.364) 3.059 3.633 ( -3.962 -1.552 -1.112) 4.398 4.085 ( 1.354 -3.520 -0.374) 3.790 4.221 ( 0.519 -3.747 1.750) 4.168 4.463 ( -0.537 -4.724 2.336) 5.297 4.619 ( 1.403 -6.131 -3.207) 7.060 6.263 ( -0.138 -2.072 -0.141) 2.081 6.312 ( 0.175 -2.454 -1.471) 2.866 8.045 ( -0.341 -0.147 1.781) 1.820 8.168 ( 1.771 -1.516 -0.419) 2.368 8.383 ( 0.038 2.537 -0.483) 2.583 8.405 ( -0.382 1.778 0.362) 1.854 8.571 ( -1.435 -1.681 0.707) 2.321 8.761 ( -0.244 -4.663 0.189) 4.673 ======================= Grid point 133 (67/104) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -1.661 8.315 9.043) 12.397 0.819 ( -1.089 15.427 5.202) 16.317 0.928 ( -0.671 5.818 2.477) 6.359 0.971 ( 2.878 4.501 4.726) 7.133 1.222 ( 2.307 4.307 4.089) 6.372 1.308 ( 1.976 3.051 -5.280) 6.410 1.404 ( 2.399 2.195 -3.682) 4.912 1.442 ( 1.344 6.619 -3.623) 7.665 1.479 ( -4.135 2.201 -0.639) 4.727 1.649 ( -10.986 2.919 6.953) 13.325 1.900 ( -1.190 -2.611 -3.952) 4.884 1.947 ( 3.429 -0.829 -0.301) 3.541 1.997 ( -1.706 3.380 3.956) 5.475 2.114 ( 0.290 0.065 3.635) 3.647 2.141 ( 3.370 2.549 -0.593) 4.267 2.294 ( 0.848 -0.251 -1.891) 2.088 2.503 ( 2.699 -1.413 -1.174) 3.265 2.694 ( 0.274 0.012 0.077) 0.285 2.698 ( -1.775 1.670 -1.504) 2.864 2.769 ( -3.779 2.649 1.119) 4.749 2.805 ( 0.621 9.191 -1.013) 9.267 2.877 ( -1.261 -4.689 2.665) 5.538 3.014 ( -1.286 4.694 1.858) 5.209 3.102 ( 0.509 4.052 -0.602) 4.129 3.190 ( 0.806 5.268 -1.789) 5.621 3.235 ( -5.226 2.323 0.347) 5.730 3.349 ( 1.062 5.639 -1.838) 6.026 3.389 ( 5.335 0.547 -2.334) 5.849 3.556 ( -2.765 -0.410 -1.550) 3.196 3.605 ( -0.332 1.304 0.513) 1.440 4.087 ( 0.359 -3.070 -1.900) 3.628 4.276 ( 2.765 -5.723 3.555) 7.282 4.477 ( 0.749 -4.853 1.403) 5.107 4.608 ( -0.274 -6.067 -3.036) 6.790 6.262 ( 0.048 -2.066 0.137) 2.071 6.305 ( -0.190 -2.464 -0.839) 2.610 8.057 ( 0.241 -0.543 1.738) 1.837 8.209 ( 2.637 -3.485 0.365) 4.386 8.381 ( 0.121 1.735 -0.835) 1.929 8.397 ( -0.846 1.182 0.588) 1.568 8.552 ( -0.915 0.023 1.177) 1.491 8.745 ( -1.180 -4.349 -0.860) 4.588 ======================= Grid point 134 (68/104) ======================= q-point: (-0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 3.651 2.063 17.603) 18.095 0.825 ( -4.581 10.135 11.973) 16.342 0.942 ( -0.637 7.046 2.173) 7.400 1.118 ( 12.204 2.921 -2.957) 12.892 1.269 ( -5.034 3.024 3.412) 6.791 1.294 ( 0.300 1.155 4.018) 4.192 1.378 ( -2.894 5.474 2.249) 6.588 1.436 ( 0.545 7.947 -3.668) 8.770 1.467 ( 3.416 0.764 -1.195) 3.698 1.576 ( 1.041 6.954 3.464) 7.839 1.834 ( -1.732 -0.130 -6.507) 6.734 1.978 ( -1.064 -0.285 -1.275) 1.685 2.003 ( 0.933 1.824 1.902) 2.796 2.106 ( -1.216 -0.681 -0.043) 1.394 2.175 ( -0.290 0.394 -0.741) 0.888 2.331 ( 4.213 2.578 -1.211) 5.086 2.520 ( -1.871 -2.087 -1.557) 3.206 2.666 ( 2.436 1.553 -1.911) 3.464 2.685 ( -0.627 0.818 -0.987) 1.427 2.738 ( -0.889 3.243 0.933) 3.489 2.822 ( 1.231 11.244 -0.899) 11.347 2.850 ( -3.232 -3.928 2.410) 5.629 2.983 ( -3.348 0.988 0.696) 3.559 3.121 ( 0.393 4.791 0.637) 4.849 3.142 ( -3.188 3.621 1.358) 5.011 3.201 ( 0.942 5.404 0.122) 5.487 3.346 ( 0.351 5.443 -2.526) 6.011 3.436 ( 0.575 0.132 0.680) 0.900 3.511 ( -1.483 -0.962 -3.827) 4.216 3.602 ( -0.215 1.114 0.280) 1.169 4.111 ( 3.372 -3.911 0.541) 5.192 4.314 ( -1.082 -7.080 1.581) 7.334 4.501 ( 0.910 -5.302 0.744) 5.430 4.592 ( 0.720 -5.403 -1.396) 5.627 6.263 ( -0.067 -2.183 0.121) 2.187 6.298 ( -0.184 -2.296 -0.013) 2.304 8.070 ( 0.189 -1.377 1.233) 1.858 8.252 ( 1.553 -4.438 0.400) 4.719 8.373 ( -0.883 -0.783 -0.093) 1.184 8.384 ( -0.550 -1.004 -0.116) 1.150 8.554 ( 0.042 2.132 0.113) 2.136 8.718 ( -0.935 -2.116 -0.313) 2.334 ======================= Grid point 135 (69/104) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -2.777 3.549 13.168) 13.918 0.854 ( -2.663 7.423 9.020) 11.982 1.098 ( 2.424 4.224 -2.929) 5.683 1.201 ( -2.764 0.143 -0.554) 2.822 1.308 ( -0.948 -0.607 0.318) 1.170 1.397 ( 3.453 3.592 -0.236) 4.988 1.439 ( 3.185 2.060 -4.599) 5.961 1.523 ( 4.098 -0.446 -6.138) 7.393 1.648 ( -1.263 7.797 4.992) 9.344 1.714 ( -0.284 1.707 -0.367) 1.769 1.883 ( 0.695 2.809 -1.065) 3.084 1.973 ( 0.397 5.990 1.963) 6.316 2.046 ( 0.689 -0.209 1.084) 1.301 2.095 ( 0.295 0.742 -0.875) 1.184 2.177 ( -2.420 3.443 -0.371) 4.224 2.384 ( -5.474 -1.186 2.608) 6.178 2.501 ( 1.131 6.259 -5.165) 8.193 2.659 ( 1.854 -0.671 -1.722) 2.618 2.731 ( -1.640 -1.760 0.705) 2.507 2.756 ( 5.970 -0.168 0.176) 5.975 2.846 ( -0.673 -1.459 4.421) 4.704 2.933 ( -3.287 3.811 1.995) 5.414 3.096 ( 0.439 11.998 0.936) 12.042 3.178 ( -0.574 2.791 1.418) 3.183 3.235 ( -1.176 6.118 3.436) 7.114 3.386 ( 2.551 6.227 0.205) 6.733 3.443 ( -1.714 4.262 -2.693) 5.325 3.467 ( 1.252 2.210 -3.528) 4.348 3.513 ( -0.297 8.427 -1.786) 8.620 3.653 ( 0.039 4.588 -2.027) 5.016 4.030 ( -0.429 -6.313 1.549) 6.514 4.181 ( 1.038 -5.995 0.736) 6.129 4.366 ( 0.521 -9.004 -0.193) 9.021 4.439 ( 0.460 -10.138 -1.260) 10.227 6.211 ( 0.127 -2.564 -0.181) 2.574 6.244 ( 0.396 -3.057 0.156) 3.086 8.059 ( 0.275 -0.108 0.120) 0.319 8.180 ( -0.348 -4.191 0.696) 4.263 8.292 ( -1.318 -3.035 0.554) 3.355 8.315 ( 0.520 -3.570 -0.322) 3.622 8.625 ( -0.176 3.829 0.431) 3.857 8.707 ( -0.247 0.021 0.535) 0.590 ======================= Grid point 136 (70/104) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.479 10.760 7.196) 12.953 0.981 ( 2.994 2.987 11.241) 12.010 1.092 ( -1.249 1.176 -0.092) 1.718 1.177 ( 0.160 6.240 -0.335) 6.251 1.305 ( 0.467 0.069 -1.681) 1.746 1.426 ( 0.289 2.795 -6.322) 6.918 1.441 ( 1.911 1.374 -1.671) 2.887 1.506 ( -0.882 -0.963 -8.085) 8.190 1.636 ( -0.877 4.557 3.054) 5.555 1.723 ( -1.525 0.690 2.512) 3.019 1.851 ( -2.961 1.568 -1.030) 3.505 2.013 ( 0.882 -0.467 -0.203) 1.019 2.061 ( -0.845 2.588 4.569) 5.319 2.109 ( 2.526 1.791 -1.708) 3.536 2.181 ( 3.065 2.722 0.983) 4.215 2.333 ( -1.410 -2.986 3.950) 5.149 2.440 ( -3.208 8.427 -2.434) 9.339 2.636 ( -2.910 2.185 0.320) 3.653 2.708 ( -2.076 -0.224 -3.549) 4.118 2.856 ( 2.782 -1.469 -0.813) 3.249 2.887 ( 1.598 1.880 5.089) 5.656 2.940 ( 4.488 0.445 0.199) 4.515 3.110 ( 0.440 11.889 1.093) 11.947 3.156 ( -2.054 5.156 0.315) 5.559 3.247 ( 0.277 6.984 3.000) 7.606 3.378 ( -2.076 8.616 -3.309) 9.460 3.431 ( 1.071 2.268 -1.640) 2.997 3.464 ( 0.796 7.415 -3.066) 8.063 3.540 ( 3.601 1.469 1.386) 4.129 3.647 ( 0.550 4.048 -1.870) 4.493 4.016 ( -1.742 -5.745 1.061) 6.096 4.202 ( 0.595 -6.533 0.129) 6.562 4.374 ( 0.283 -8.809 0.201) 8.816 4.430 ( -0.233 -10.355 -1.922) 10.534 6.214 ( 0.400 -2.595 -0.304) 2.643 6.253 ( 0.593 -3.142 -0.327) 3.214 8.070 ( 0.858 -0.506 -0.073) 0.999 8.158 ( -2.321 -3.719 0.996) 4.496 8.300 ( 1.652 -2.449 0.466) 2.991 8.344 ( 2.544 -3.477 -0.006) 4.308 8.614 ( -1.248 4.145 0.499) 4.357 8.694 ( -1.396 -0.260 0.436) 1.485 ======================= Grid point 137 (71/104) ======================= q-point: ( 0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 7.645 9.519 1.679) 12.324 1.010 ( -2.856 4.181 3.938) 6.414 1.134 ( 2.238 2.703 2.913) 4.560 1.172 ( -1.307 8.165 2.152) 8.544 1.258 ( -4.117 1.340 0.127) 4.332 1.406 ( 2.277 4.762 -6.709) 8.537 1.452 ( -0.207 0.805 -1.867) 2.044 1.481 ( 4.104 -0.494 -5.734) 7.069 1.634 ( -0.832 2.719 -0.282) 2.857 1.686 ( -3.071 -2.870 2.880) 5.096 1.776 ( -3.869 4.000 -1.024) 5.658 2.017 ( 0.409 -3.910 -0.377) 3.950 2.049 ( -1.934 2.362 1.579) 3.437 2.141 ( 1.016 1.032 -0.910) 1.710 2.278 ( 3.824 2.263 3.632) 5.739 2.366 ( -0.575 4.607 -3.880) 6.051 2.390 ( 1.729 -2.211 4.969) 5.707 2.607 ( -1.448 3.941 0.636) 4.247 2.612 ( -4.547 -0.073 -0.005) 4.548 2.886 ( 1.525 0.314 -2.951) 3.336 2.901 ( -2.654 2.601 5.306) 6.478 3.032 ( 3.703 -1.145 -2.886) 4.833 3.126 ( -0.170 10.879 2.678) 11.205 3.138 ( 1.554 8.152 -0.605) 8.321 3.277 ( 0.640 8.381 1.780) 8.592 3.322 ( -1.528 7.873 -1.488) 8.157 3.435 ( 1.031 2.825 -2.145) 3.693 3.462 ( 0.353 8.912 -1.099) 8.986 3.620 ( 4.372 -1.815 -1.902) 5.101 3.649 ( 0.710 4.153 -0.141) 4.216 3.990 ( -1.397 -4.715 -0.014) 4.918 4.199 ( -1.010 -6.805 -0.135) 6.881 4.371 ( -1.283 -8.586 1.200) 8.763 4.416 ( 0.651 -10.024 -2.718) 10.406 6.219 ( 0.396 -2.658 -0.502) 2.734 6.259 ( 0.397 -3.259 -0.779) 3.374 8.085 ( 0.547 -0.997 -0.122) 1.144 8.122 ( -1.971 -2.556 1.083) 3.405 8.343 ( 2.567 -1.736 0.222) 3.107 8.393 ( 2.498 -2.500 0.210) 3.540 8.592 ( -1.399 3.311 0.474) 3.626 8.671 ( -1.170 -0.833 0.334) 1.475 ======================= Grid point 138 (72/104) ======================= q-point: ( 0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.141 4.029 -0.334) 5.120 1.046 ( -1.451 8.530 -1.035) 8.714 1.121 ( 3.929 3.925 0.735) 5.602 1.189 ( -0.417 8.022 0.959) 8.090 1.233 ( -0.703 0.578 3.469) 3.586 1.408 ( 0.914 6.649 -3.268) 7.465 1.452 ( 0.267 2.013 0.485) 2.088 1.500 ( 2.571 1.222 -7.569) 8.087 1.642 ( 2.262 1.290 2.334) 3.497 1.675 ( 0.182 -3.765 0.590) 3.816 1.728 ( -0.307 5.997 -0.787) 6.057 2.010 ( -2.535 0.716 1.513) 3.038 2.023 ( -0.854 -1.378 -1.528) 2.227 2.135 ( -0.946 1.171 -0.568) 1.609 2.248 ( -4.574 2.791 -1.979) 5.713 2.376 ( 0.804 2.757 0.623) 2.938 2.462 ( 1.856 -3.775 1.249) 4.388 2.564 ( 0.166 -3.056 5.418) 6.223 2.637 ( 1.308 3.293 3.032) 4.663 2.853 ( -3.424 3.079 1.025) 4.717 2.892 ( 0.161 -0.069 -1.385) 1.396 3.026 ( -1.356 2.339 -2.147) 3.452 3.150 ( 0.960 11.503 1.887) 11.696 3.185 ( 3.106 5.913 -0.717) 6.717 3.260 ( -0.918 9.301 -1.109) 9.412 3.336 ( 1.626 7.114 0.429) 7.310 3.438 ( 0.197 3.652 -1.630) 4.005 3.468 ( 1.119 8.292 -0.587) 8.388 3.640 ( 1.026 2.008 -2.793) 3.590 3.685 ( 1.637 0.231 -0.417) 1.705 3.972 ( -0.433 -4.255 -0.098) 4.278 4.168 ( -1.943 -6.333 -0.628) 6.654 4.349 ( -1.973 -8.654 1.870) 9.071 4.423 ( 1.661 -9.620 -2.408) 10.055 6.220 ( 0.107 -2.658 -0.686) 2.747 6.258 ( 0.241 -3.325 -1.020) 3.486 8.071 ( -1.771 -1.121 0.478) 2.150 8.118 ( 0.507 -1.284 0.319) 1.416 8.385 ( 1.827 -0.976 -0.041) 2.072 8.428 ( 1.075 -0.849 0.257) 1.394 8.575 ( -0.677 1.782 0.253) 1.923 8.661 ( -0.180 -2.046 0.558) 2.128 ======================= Grid point 139 (73/104) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.892 6.740 -0.436) 8.340 0.978 ( -3.377 5.711 2.956) 7.263 1.163 ( -2.190 8.132 -0.839) 8.464 1.207 ( 1.725 7.039 -4.471) 8.516 1.238 ( 0.490 1.553 3.455) 3.819 1.388 ( -1.050 5.596 -0.684) 5.734 1.445 ( -0.696 3.756 0.298) 3.831 1.533 ( 4.477 2.857 -4.650) 7.059 1.673 ( -2.124 -2.492 1.323) 3.532 1.698 ( 2.380 -0.684 1.083) 2.703 1.774 ( 5.253 3.382 -1.728) 6.482 1.948 ( -4.701 2.994 -3.365) 6.511 1.988 ( -0.654 -1.291 1.406) 2.017 2.120 ( -0.453 2.982 1.481) 3.360 2.185 ( -1.005 1.099 -0.181) 1.500 2.385 ( 0.243 1.788 0.021) 1.804 2.461 ( -3.704 -2.523 3.553) 5.719 2.624 ( 2.026 -1.722 3.730) 4.581 2.671 ( 0.064 -1.706 3.813) 4.177 2.817 ( -0.855 2.694 0.528) 2.876 2.886 ( 0.459 -0.660 -3.396) 3.490 2.987 ( -1.353 5.024 -0.268) 5.210 3.177 ( 0.851 10.476 1.009) 10.559 3.214 ( 0.336 6.075 -0.541) 6.108 3.262 ( 2.108 8.064 -2.088) 8.593 3.361 ( 1.447 7.197 -1.126) 7.427 3.420 ( -1.143 4.667 -0.957) 4.900 3.490 ( 1.483 7.143 -1.057) 7.372 3.640 ( 0.032 1.448 -0.794) 1.651 3.682 ( -0.611 2.388 -2.017) 3.186 3.976 ( 0.820 -4.311 0.226) 4.394 4.131 ( -1.461 -6.007 -0.444) 6.198 4.330 ( -1.455 -8.529 2.238) 8.937 4.439 ( 1.606 -9.984 -2.189) 10.347 6.216 ( -0.080 -2.578 -0.565) 2.640 6.255 ( 0.178 -3.333 -1.183) 3.541 8.047 ( -1.067 -0.181 0.785) 1.337 8.128 ( 0.407 -1.357 0.009) 1.416 8.404 ( 0.438 -0.797 -0.316) 0.963 8.437 ( -0.162 0.117 0.345) 0.399 8.569 ( -0.209 1.249 0.205) 1.283 8.666 ( 0.147 -3.206 0.617) 3.268 ======================= Grid point 140 (74/104) ======================= q-point: (-0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -5.041 10.550 1.170) 11.751 0.985 ( 0.970 4.965 5.344) 7.359 1.111 ( -2.802 8.445 -0.420) 8.908 1.143 ( -4.660 9.920 0.098) 10.960 1.271 ( 0.198 3.456 2.791) 4.447 1.378 ( 0.722 1.833 -3.745) 4.232 1.442 ( 0.556 3.675 -0.696) 3.781 1.573 ( 2.526 5.071 -2.829) 6.332 1.603 ( -5.264 -0.992 -1.482) 5.558 1.746 ( 2.122 -0.570 -1.260) 2.533 1.818 ( 0.574 -2.571 -2.864) 3.892 1.878 ( -0.062 1.549 1.251) 1.992 2.025 ( 2.679 -0.165 2.585) 3.726 2.135 ( -0.864 4.327 4.082) 6.011 2.198 ( 2.283 2.627 0.178) 3.485 2.359 ( -3.424 5.946 0.111) 6.862 2.424 ( -0.196 -4.321 1.245) 4.501 2.657 ( 0.327 0.363 0.839) 0.971 2.710 ( 0.594 -5.095 5.951) 7.857 2.789 ( -2.747 -1.803 -2.481) 4.117 2.866 ( -0.369 1.968 -0.447) 2.051 2.995 ( 1.862 6.760 -0.377) 7.022 3.178 ( -1.438 8.066 0.613) 8.216 3.206 ( -0.844 7.325 -1.040) 7.446 3.294 ( 2.870 6.415 -2.236) 7.375 3.372 ( -1.207 5.626 -0.319) 5.763 3.395 ( 0.924 6.006 -1.802) 6.339 3.499 ( 0.568 6.355 -1.715) 6.607 3.610 ( -2.838 1.041 0.114) 3.025 3.674 ( 0.896 5.468 -1.571) 5.760 3.997 ( 1.252 -4.696 -0.501) 4.886 4.118 ( -0.074 -6.071 1.138) 6.177 4.326 ( -0.359 -8.461 1.845) 8.667 4.447 ( 0.726 -10.463 -2.322) 10.742 6.212 ( 0.009 -2.486 -0.250) 2.499 6.250 ( -0.018 -3.338 -1.062) 3.502 8.044 ( -0.046 0.200 1.197) 1.215 8.134 ( 0.360 -1.832 -0.130) 1.871 8.396 ( -1.061 -1.564 -0.566) 1.973 8.427 ( -1.316 -0.372 0.483) 1.451 8.571 ( 0.353 2.064 0.384) 2.129 8.671 ( 0.088 -3.101 0.391) 3.126 ======================= Grid point 141 (75/104) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -3.719 12.352 5.024) 13.844 1.035 ( -1.477 4.380 5.463) 7.156 1.063 ( -4.114 6.566 4.299) 8.861 1.118 ( 3.472 10.296 1.374) 10.953 1.293 ( 0.472 1.951 3.107) 3.699 1.353 ( 0.214 1.898 -5.378) 5.707 1.456 ( 1.735 2.218 -2.052) 3.484 1.494 ( -4.182 -0.713 -4.183) 5.958 1.593 ( 1.181 5.452 -0.958) 5.660 1.730 ( -2.675 2.267 1.106) 3.677 1.824 ( 2.189 -1.258 -2.415) 3.494 1.932 ( 4.441 -0.549 -0.178) 4.478 2.073 ( -0.576 1.956 0.773) 2.181 2.122 ( -2.347 3.108 5.431) 6.683 2.265 ( 3.553 6.644 0.836) 7.581 2.300 ( -1.310 2.173 -0.853) 2.677 2.467 ( 3.548 -2.286 -0.271) 4.229 2.664 ( -0.029 -1.244 -0.866) 1.516 2.689 ( -3.854 -2.035 -0.683) 4.411 2.759 ( -0.209 -3.797 3.215) 4.979 2.863 ( -1.129 2.451 2.132) 3.439 3.026 ( 1.654 6.014 -0.635) 6.269 3.146 ( -3.282 3.506 0.328) 4.814 3.158 ( -2.753 9.385 0.396) 9.789 3.311 ( -2.873 5.253 0.010) 5.988 3.333 ( 0.651 7.259 -0.232) 7.292 3.433 ( 3.706 4.640 -2.806) 6.568 3.495 ( 0.258 6.248 -1.827) 6.515 3.563 ( -2.007 3.066 -0.370) 3.683 3.676 ( 0.159 5.673 -1.061) 5.774 4.006 ( 0.696 -4.499 -1.624) 4.834 4.142 ( 1.001 -6.957 2.501) 7.460 4.338 ( 0.648 -8.572 0.954) 8.649 4.439 ( 0.117 -10.282 -2.074) 10.490 6.212 ( 0.040 -2.492 -0.080) 2.494 6.243 ( -0.197 -3.287 -0.481) 3.328 8.054 ( 0.029 0.197 1.211) 1.227 8.144 ( 0.916 -2.837 -0.031) 2.981 8.363 ( -2.016 -2.609 -0.678) 3.366 8.393 ( -2.780 -1.851 0.562) 3.387 8.589 ( 1.217 2.928 0.530) 3.215 8.679 ( 0.604 -1.600 0.300) 1.737 ======================= Grid point 142 (76/104) ======================= q-point: (-0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.144 8.382 10.532) 13.461 0.961 ( -10.332 4.425 10.798) 15.586 1.068 ( 3.018 5.401 -4.498) 7.650 1.215 ( 2.774 3.135 3.676) 5.571 1.312 ( 0.287 1.379 -0.433) 1.473 1.350 ( 1.040 4.805 1.016) 5.020 1.412 ( 0.303 -2.369 -5.408) 5.912 1.487 ( 3.317 2.275 -4.305) 5.892 1.614 ( 1.008 6.557 2.372) 7.045 1.715 ( 0.166 2.789 1.714) 3.277 1.852 ( 2.536 3.649 -2.625) 5.161 1.996 ( 1.416 0.725 -1.490) 2.180 2.029 ( -2.602 2.999 2.771) 4.842 2.111 ( -1.373 1.277 -0.268) 1.894 2.232 ( -2.746 4.365 -0.908) 5.236 2.402 ( 6.442 3.885 1.911) 7.762 2.478 ( -1.700 -2.027 -2.573) 3.691 2.641 ( 1.565 -2.851 -2.217) 3.936 2.686 ( 1.493 1.589 -0.026) 2.180 2.761 ( -1.905 -2.878 3.259) 4.747 2.847 ( -2.250 0.851 3.535) 4.275 3.009 ( -4.369 1.141 -0.597) 4.554 3.087 ( -0.686 11.821 0.791) 11.867 3.157 ( 0.475 3.654 2.967) 4.730 3.256 ( -3.516 5.973 3.192) 7.631 3.351 ( 1.354 7.103 -0.439) 7.245 3.464 ( 1.782 2.754 -3.450) 4.760 3.482 ( -0.659 5.681 -2.023) 6.066 3.535 ( -0.460 5.882 -2.137) 6.275 3.667 ( -0.177 5.245 -1.643) 5.499 4.015 ( 1.063 -4.836 -0.110) 4.953 4.166 ( 0.121 -7.083 1.703) 7.285 4.356 ( 0.755 -8.820 0.119) 8.853 4.434 ( 0.628 -9.876 -1.285) 9.979 6.211 ( -0.069 -2.562 -0.117) 2.565 6.239 ( -0.010 -3.126 0.145) 3.130 8.057 ( -0.176 0.115 0.621) 0.655 8.165 ( 1.210 -3.865 0.349) 4.065 8.323 ( -1.721 -3.308 -0.559) 3.770 8.340 ( -3.144 -2.949 0.511) 4.340 8.614 ( 1.011 3.229 0.479) 3.418 8.696 ( 0.899 -0.187 0.450) 1.023 ======================= Grid point 143 (77/104) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.809 5.256 7.563) 9.245 0.971 ( -1.592 1.043 3.760) 4.214 1.162 ( -1.024 5.109 1.191) 5.345 1.225 ( 1.303 2.185 -1.518) 2.963 1.276 ( -0.199 -2.233 -1.233) 2.558 1.320 ( 2.960 -7.591 -0.110) 8.148 1.529 ( 1.816 3.357 -3.894) 5.452 1.545 ( 1.624 1.157 -5.529) 5.877 1.727 ( -0.153 0.378 1.209) 1.276 1.729 ( 0.827 0.916 2.473) 2.764 1.938 ( -1.969 3.110 -0.902) 3.790 1.991 ( -0.696 -1.924 -1.292) 2.420 2.114 ( 1.823 2.036 -1.047) 2.926 2.120 ( 0.018 1.461 -0.888) 1.710 2.258 ( -4.623 4.772 3.067) 7.318 2.341 ( -5.661 -2.970 2.290) 6.790 2.619 ( 5.762 3.726 -2.173) 7.197 2.658 ( 6.714 -0.493 -2.174) 7.075 2.722 ( -3.014 1.922 3.536) 5.028 2.779 ( -1.081 -0.065 0.695) 1.287 2.796 ( 1.559 0.407 4.099) 4.404 2.894 ( -2.814 -5.365 2.996) 6.759 3.268 ( 0.754 3.345 2.572) 4.286 3.274 ( 0.614 3.120 2.825) 4.253 3.354 ( -1.645 5.706 2.468) 6.431 3.417 ( -0.906 -0.238 0.883) 1.288 3.537 ( 0.947 4.180 -3.907) 5.799 3.566 ( -0.003 3.324 -3.321) 4.698 3.691 ( -0.135 7.411 -1.978) 7.672 3.748 ( 0.268 2.497 -3.966) 4.694 3.979 ( -0.587 2.928 0.937) 3.129 4.067 ( 1.170 -4.447 -0.120) 4.599 4.180 ( 0.769 -7.383 -0.613) 7.449 4.219 ( 0.332 -10.134 -0.977) 10.187 6.175 ( 0.210 -0.634 -0.166) 0.688 6.189 ( 0.331 -1.966 0.047) 1.994 8.071 ( -0.015 1.171 0.088) 1.175 8.109 ( -0.208 -2.656 0.361) 2.688 8.245 ( -0.454 -1.061 -0.001) 1.154 8.256 ( 0.002 -1.963 -0.059) 1.964 8.684 ( -0.010 1.954 0.636) 2.055 8.706 ( -0.176 -0.366 0.503) 0.646 ======================= Grid point 144 (78/104) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.462 4.675 5.884) 7.656 1.006 ( 1.198 -0.733 5.791) 5.959 1.164 ( 1.425 6.746 0.422) 6.907 1.245 ( 0.754 0.126 0.078) 0.769 1.308 ( 4.768 1.084 -2.369) 5.434 1.391 ( 4.688 -5.564 -0.534) 7.295 1.502 ( -1.250 1.488 -6.189) 6.487 1.509 ( -0.758 1.460 -5.019) 5.281 1.680 ( -4.966 1.390 0.908) 5.236 1.714 ( -3.987 -1.031 1.540) 4.397 1.903 ( -1.806 3.174 0.064) 3.653 1.964 ( -1.417 -2.764 -0.844) 3.219 2.123 ( 0.160 2.009 -1.404) 2.456 2.142 ( 1.271 0.434 -1.319) 1.883 2.232 ( -0.038 2.555 4.922) 5.546 2.282 ( -1.881 -2.314 4.410) 5.324 2.602 ( -3.924 6.373 -1.872) 7.715 2.678 ( -3.059 -1.048 -1.123) 3.423 2.728 ( -0.092 4.699 1.991) 5.104 2.837 ( 0.927 -3.521 3.736) 5.217 2.858 ( 5.309 -0.177 -0.062) 5.312 2.896 ( 3.611 -3.063 -0.193) 4.739 3.295 ( 0.579 4.655 1.830) 5.035 3.298 ( 0.497 4.435 1.022) 4.578 3.364 ( 1.104 4.733 2.190) 5.331 3.426 ( 1.329 -1.391 -0.159) 1.930 3.531 ( 0.249 4.223 -2.546) 4.938 3.542 ( -0.103 3.717 -2.094) 4.267 3.679 ( 0.180 6.712 -1.491) 6.878 3.732 ( 0.377 2.096 -2.755) 3.482 3.966 ( -1.334 2.870 0.849) 3.277 4.077 ( 0.098 -5.409 -0.515) 5.435 4.193 ( 1.001 -7.219 -0.647) 7.316 4.213 ( -0.276 -9.308 -1.014) 9.367 6.179 ( 0.384 -0.539 -0.326) 0.738 6.196 ( 0.448 -2.105 -0.295) 2.173 8.071 ( -0.024 0.590 0.149) 0.609 8.097 ( -1.135 -2.127 0.496) 2.461 8.264 ( 2.275 -0.619 0.105) 2.361 8.282 ( 2.609 -2.270 0.092) 3.460 8.675 ( -1.300 1.860 0.428) 2.309 8.694 ( -1.438 -0.156 0.449) 1.514 ======================= Grid point 145 (79/104) ======================= q-point: ( 0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.415 3.558 2.760) 4.720 1.065 ( 1.300 -0.752 6.731) 6.896 1.214 ( 2.377 4.806 0.636) 5.399 1.264 ( 0.751 0.294 1.476) 1.682 1.323 ( -3.187 6.526 -1.548) 7.426 1.448 ( 1.613 -3.085 -3.299) 4.796 1.467 ( 2.157 1.849 -3.349) 4.391 1.516 ( 6.030 0.408 -3.196) 6.837 1.594 ( -4.598 -1.058 0.917) 4.807 1.648 ( -2.307 -1.853 -0.957) 3.110 1.864 ( -1.874 3.942 -0.755) 4.429 1.937 ( -0.341 -3.565 -1.616) 3.929 2.101 ( -1.606 2.495 0.439) 3.000 2.140 ( -0.555 -1.184 -0.095) 1.311 2.308 ( 3.734 0.880 4.311) 5.771 2.331 ( 2.917 -1.708 4.371) 5.526 2.497 ( -6.193 5.514 -1.444) 8.417 2.581 ( -6.532 -2.728 -0.817) 7.126 2.727 ( -0.782 6.489 2.559) 7.019 2.844 ( -1.642 -4.750 2.789) 5.748 2.924 ( 3.004 2.503 -2.489) 4.635 2.985 ( 4.731 -2.985 -2.903) 6.302 3.310 ( 1.062 5.453 -0.363) 5.568 3.316 ( 0.925 5.139 1.254) 5.370 3.410 ( 2.428 4.333 1.214) 5.113 3.442 ( 0.466 1.994 -1.258) 2.404 3.509 ( -0.638 4.702 -0.811) 4.814 3.547 ( 0.955 0.307 -1.111) 1.497 3.682 ( 0.982 6.033 -0.721) 6.154 3.731 ( 0.711 1.616 -0.454) 1.823 3.947 ( -0.998 2.940 0.046) 3.105 4.068 ( -0.677 -5.856 -0.622) 5.928 4.194 ( -0.971 -7.168 -0.111) 7.235 4.208 ( 0.920 -8.590 -1.636) 8.792 6.183 ( 0.325 -0.579 -0.512) 0.839 6.200 ( 0.306 -2.142 -0.657) 2.262 8.072 ( -0.312 -0.139 0.335) 0.478 8.084 ( -0.499 -1.288 0.630) 1.519 8.316 ( 3.135 -0.309 0.031) 3.150 8.338 ( 3.198 -2.313 0.254) 3.955 8.647 ( -1.832 1.868 0.166) 2.622 8.666 ( -1.690 -0.196 0.313) 1.730 ======================= Grid point 146 (80/104) ======================= q-point: ( 0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.657 4.897 4.173) 6.961 1.113 ( -2.273 -3.357 4.214) 5.848 1.203 ( -0.489 5.738 0.389) 5.772 1.276 ( -0.147 -0.362 1.495) 1.545 1.307 ( 2.042 6.549 -1.081) 6.945 1.434 ( 1.567 -4.493 -3.257) 5.766 1.509 ( -0.053 3.363 1.460) 3.666 1.534 ( -1.022 2.265 -1.489) 2.897 1.614 ( 4.735 -0.824 -1.747) 5.114 1.644 ( 2.797 -1.764 -1.780) 3.755 1.844 ( 0.689 5.018 -1.910) 5.414 1.936 ( 1.039 -4.304 -2.688) 5.179 2.079 ( -1.300 3.270 1.171) 3.709 2.132 ( -0.631 -1.679 1.384) 2.265 2.320 ( -4.839 3.601 -1.880) 6.318 2.379 ( -1.574 -2.430 -0.703) 2.979 2.440 ( 0.934 1.985 5.025) 5.483 2.496 ( -2.093 -3.296 5.881) 7.059 2.731 ( 0.196 5.060 -0.043) 5.064 2.825 ( -1.145 -4.050 -0.387) 4.226 2.934 ( 0.267 3.942 -2.749) 4.813 3.011 ( 0.449 -3.116 -2.547) 4.049 3.331 ( 1.211 5.358 -0.216) 5.497 3.346 ( 1.768 4.713 0.204) 5.038 3.420 ( -1.097 6.565 -0.498) 6.675 3.462 ( 2.214 3.199 -0.642) 3.944 3.502 ( -0.028 3.456 -0.288) 3.468 3.551 ( 0.222 -1.359 -1.241) 1.854 3.705 ( 1.692 6.025 0.111) 6.259 3.753 ( 1.342 2.076 1.358) 2.820 3.931 ( -0.603 2.617 -0.743) 2.786 4.043 ( -1.484 -5.667 -1.031) 5.948 4.174 ( -1.155 -6.432 0.288) 6.542 4.215 ( 0.921 -9.265 -1.474) 9.427 6.183 ( 0.121 -0.633 -0.654) 0.918 6.200 ( 0.169 -2.115 -0.833) 2.279 8.063 ( -0.709 0.475 0.511) 0.995 8.087 ( 0.153 -1.632 0.564) 1.733 8.365 ( 2.143 -0.103 -0.087) 2.147 8.389 ( 2.045 -2.150 0.319) 2.984 8.619 ( -1.176 1.884 0.073) 2.222 8.642 ( -1.058 -0.532 0.164) 1.196 ======================= Grid point 147 (81/104) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -3.948 5.762 5.013) 8.598 1.054 ( -4.362 0.240 4.184) 6.048 1.238 ( 1.652 2.434 0.063) 2.942 1.289 ( 1.211 -0.477 -1.181) 1.758 1.332 ( 1.045 6.772 1.122) 6.944 1.445 ( -1.124 -1.178 -1.829) 2.449 1.502 ( -0.777 -0.728 3.828) 3.973 1.516 ( -0.063 0.381 -1.936) 1.974 1.657 ( 2.236 1.496 -3.178) 4.164 1.691 ( 2.549 -1.325 -2.224) 3.633 1.844 ( 0.454 3.666 -3.077) 4.808 1.911 ( -1.722 -3.146 -3.074) 4.724 2.077 ( -0.085 5.277 1.700) 5.545 2.146 ( 0.949 -1.284 2.063) 2.609 2.232 ( -2.029 3.899 -0.516) 4.425 2.324 ( -2.577 -4.837 0.535) 5.507 2.487 ( -0.067 2.481 5.308) 5.859 2.545 ( 1.522 -3.575 6.528) 7.597 2.722 ( -0.886 3.819 -2.133) 4.463 2.797 ( -1.190 -3.359 -3.138) 4.748 2.922 ( 0.504 3.876 -1.709) 4.266 2.997 ( 0.189 -2.761 -1.421) 3.111 3.340 ( -0.375 5.118 -0.435) 5.150 3.369 ( 0.678 3.112 -1.236) 3.417 3.407 ( 0.061 7.325 0.220) 7.329 3.482 ( 0.743 1.202 -1.801) 2.289 3.502 ( 0.333 4.824 0.040) 4.835 3.543 ( -0.158 -0.873 -0.870) 1.243 3.741 ( 1.731 7.552 0.667) 7.776 3.784 ( 1.079 4.380 0.683) 4.563 3.920 ( -0.120 0.400 -0.303) 0.516 4.006 ( -1.617 -5.851 -1.113) 6.172 4.159 ( -0.808 -5.921 0.803) 6.030 4.221 ( 0.643 -10.134 -1.375) 10.247 6.180 ( 0.010 -0.604 -0.620) 0.866 6.197 ( 0.082 -2.110 -0.857) 2.279 8.056 ( -0.365 1.171 0.563) 1.350 8.092 ( 0.001 -2.060 0.474) 2.114 8.385 ( 0.113 -0.062 -0.147) 0.195 8.409 ( -0.034 -2.036 0.356) 2.067 8.609 ( -0.024 1.826 0.071) 1.827 8.633 ( -0.077 -0.767 0.102) 0.777 ======================= Grid point 148 (82/104) ======================= q-point: (-0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.188 7.672 6.001) 10.249 1.041 ( -1.533 -0.233 7.788) 7.941 1.248 ( -0.120 4.433 -0.405) 4.453 1.287 ( -0.579 2.645 -3.030) 4.064 1.331 ( -2.760 3.498 -0.039) 4.455 1.392 ( -1.389 0.594 -0.151) 1.518 1.487 ( -1.190 -0.216 -1.555) 1.969 1.514 ( -2.542 -4.657 2.357) 5.806 1.658 ( 1.262 2.608 -5.009) 5.787 1.702 ( 1.533 -2.164 -4.677) 5.376 1.845 ( 1.957 2.349 -1.938) 3.620 1.877 ( 0.250 -0.869 -0.252) 0.939 2.091 ( 0.674 5.058 2.242) 5.574 2.168 ( -0.387 -1.458 1.931) 2.451 2.249 ( 2.364 2.772 1.857) 4.089 2.320 ( 1.519 -4.524 1.923) 5.145 2.504 ( -1.261 6.446 3.135) 7.278 2.613 ( 1.289 -4.595 6.202) 7.826 2.678 ( -1.869 1.752 -1.369) 2.905 2.730 ( -3.571 -3.236 -3.802) 6.138 2.929 ( 0.813 3.875 -1.320) 4.174 3.006 ( 1.250 -3.084 -1.473) 3.639 3.310 ( -2.610 4.566 0.124) 5.261 3.345 ( -2.453 1.657 -1.152) 3.176 3.427 ( 1.916 6.334 -0.277) 6.623 3.473 ( -0.742 2.824 -0.580) 2.977 3.514 ( 1.003 4.498 -0.460) 4.632 3.544 ( 1.049 0.617 -0.854) 1.487 3.747 ( -1.101 9.010 -0.927) 9.124 3.805 ( 0.958 5.471 -0.568) 5.583 3.923 ( 0.608 -1.346 -0.145) 1.484 3.989 ( 0.251 -6.080 0.599) 6.115 4.155 ( -0.133 -5.979 0.734) 6.026 4.220 ( 0.260 -10.496 -1.424) 10.595 6.177 ( 0.026 -0.656 -0.421) 0.780 6.192 ( -0.058 -2.025 -0.693) 2.142 8.058 ( 0.086 1.243 0.639) 1.400 8.093 ( -0.071 -2.072 0.321) 2.098 8.368 ( -1.870 -0.250 -0.159) 1.893 8.392 ( -2.124 -2.214 0.358) 3.089 8.618 ( 0.948 1.871 0.101) 2.100 8.641 ( 0.887 -0.648 0.184) 1.113 ======================= Grid point 149 (83/104) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -3.567 9.897 5.237) 11.752 1.060 ( -3.531 -1.962 8.854) 9.732 1.217 ( -2.855 7.605 -0.240) 8.127 1.251 ( -1.042 3.590 0.354) 3.755 1.291 ( -1.453 -1.887 0.449) 2.424 1.375 ( -1.908 -5.064 -1.139) 5.530 1.435 ( -0.313 2.782 -2.477) 3.737 1.496 ( 0.797 -1.381 -1.203) 1.998 1.660 ( 1.699 1.986 -3.032) 4.003 1.697 ( 1.433 -2.036 -4.957) 5.547 1.884 ( 3.307 3.273 -0.638) 4.696 1.922 ( 4.350 -0.781 -1.019) 4.536 2.120 ( 0.517 2.792 1.179) 3.074 2.159 ( -1.713 -0.352 2.328) 2.912 2.324 ( 3.995 2.639 2.936) 5.616 2.382 ( 2.511 -1.985 2.862) 4.294 2.472 ( -2.146 6.723 -0.953) 7.122 2.606 ( -4.512 -5.203 -1.297) 7.008 2.669 ( 0.960 0.528 2.548) 2.773 2.697 ( 0.779 -2.225 3.901) 4.558 2.916 ( -1.669 3.468 -1.216) 4.036 2.999 ( -1.511 -4.123 -1.260) 4.568 3.264 ( -2.506 3.756 1.459) 4.745 3.284 ( -3.573 1.815 1.137) 4.166 3.442 ( -2.946 5.420 1.165) 6.278 3.454 ( 0.782 4.427 -0.695) 4.549 3.531 ( 1.603 3.859 -1.985) 4.626 3.565 ( 1.919 1.674 -2.061) 3.276 3.716 ( -0.875 8.883 -1.323) 9.023 3.796 ( -0.656 3.141 -2.238) 3.913 3.945 ( 1.839 0.533 -0.446) 1.966 4.012 ( 1.184 -5.127 1.461) 5.461 4.162 ( 0.443 -6.622 0.242) 6.642 4.216 ( 0.364 -10.286 -1.412) 10.389 6.176 ( -0.004 -0.802 -0.222) 0.832 6.187 ( -0.122 -1.865 -0.294) 1.892 8.065 ( 0.197 0.972 0.585) 1.152 8.095 ( 0.153 -1.965 0.136) 1.976 8.323 ( -2.831 -0.626 -0.199) 2.906 8.343 ( -3.366 -2.315 0.295) 4.096 8.642 ( 1.464 1.963 0.280) 2.465 8.665 ( 1.498 -0.467 0.367) 1.611 ======================= Grid point 150 (84/104) ======================= q-point: (-0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -3.132 8.898 4.940) 10.648 1.014 ( -5.413 -0.801 5.161) 7.522 1.175 ( -1.218 5.031 -0.637) 5.216 1.239 ( -2.196 1.843 3.048) 4.185 1.277 ( -0.396 -4.148 1.626) 4.473 1.321 ( -1.993 -4.940 -1.778) 5.616 1.478 ( 5.061 5.019 -2.197) 7.459 1.525 ( 3.591 0.355 -4.191) 5.530 1.685 ( 2.145 1.174 0.486) 2.493 1.703 ( 1.949 -1.234 -2.208) 3.193 1.942 ( 2.902 3.473 -1.422) 4.744 1.986 ( 2.806 -1.161 -1.543) 3.406 2.112 ( -1.481 3.112 0.903) 3.563 2.140 ( -1.440 0.509 0.268) 1.551 2.334 ( -4.283 5.299 0.673) 6.847 2.420 ( -2.897 -2.967 0.846) 4.233 2.488 ( 6.640 3.735 0.161) 7.620 2.570 ( 2.872 -3.997 -0.602) 4.959 2.722 ( 1.054 0.632 4.464) 4.630 2.735 ( 0.780 -0.109 4.907) 4.970 2.852 ( -4.568 2.363 -0.846) 5.212 2.943 ( -3.739 -5.231 0.612) 6.458 3.248 ( -0.610 3.117 2.345) 3.948 3.255 ( -0.935 2.600 2.925) 4.023 3.389 ( -3.706 6.366 2.382) 7.742 3.442 ( -1.700 1.723 0.311) 2.440 3.541 ( 1.411 4.204 -3.739) 5.800 3.577 ( 1.132 2.408 -3.258) 4.206 3.703 ( 0.079 8.112 -1.654) 8.280 3.769 ( -0.115 2.354 -3.487) 4.209 3.972 ( 1.044 2.412 0.135) 2.632 4.042 ( 1.317 -4.410 0.701) 4.656 4.172 ( 0.599 -7.317 -0.291) 7.347 4.217 ( 0.594 -10.205 -1.201) 10.293 6.174 ( -0.013 -0.792 -0.132) 0.803 6.185 ( 0.061 -1.837 0.073) 1.840 8.070 ( 0.054 1.049 0.287) 1.088 8.102 ( 0.504 -2.284 0.183) 2.346 8.273 ( -2.275 -1.102 -0.255) 2.541 8.285 ( -2.944 -2.026 0.178) 3.578 8.669 ( 1.130 2.003 0.550) 2.364 8.693 ( 1.160 -0.454 0.492) 1.340 ======================= Grid point 175 (85/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 0.000 0.000) 0.000 1.046 ( -0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 -0.000) 0.000 1.099 ( -0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.492 ( -0.000 0.000 0.000) 0.000 1.499 ( -0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.681 ( -0.000 0.000 0.000) 0.000 1.936 ( -0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.005 ( -0.000 0.000 0.000) 0.000 2.156 ( -0.000 0.000 0.000) 0.000 2.330 ( -0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.561 ( -0.000 0.000 0.000) 0.000 2.678 ( -0.000 0.000 0.000) 0.000 2.682 ( -0.000 0.000 0.000) 0.000 2.812 ( -0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.984 ( -0.000 0.000 0.000) 0.000 3.013 ( -0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 -0.000) 0.000 3.213 ( -0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 -0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.580 ( -0.000 0.000 -0.000) 0.000 4.270 ( -0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 6.290 ( -0.000 0.000 0.000) 0.000 6.322 ( -0.000 0.000 0.000) 0.000 8.132 ( -0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.476 ( -0.000 0.000 0.000) 0.000 8.735 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 177 (86/104) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.001 0.000 -2.909) 2.909 0.834 ( -18.278 0.000 13.702) 22.843 1.055 ( 2.190 0.000 -3.865) 4.442 1.115 ( -2.093 0.000 -17.489) 17.614 1.152 ( -2.700 0.000 4.722) 5.440 1.198 ( -0.421 0.000 0.611) 0.742 1.370 ( -4.994 0.000 -1.613) 5.248 1.497 ( -0.248 0.000 -4.534) 4.541 1.542 ( 0.286 0.000 -3.530) 3.542 1.650 ( 9.386 0.000 -11.302) 14.691 1.685 ( 1.275 0.000 6.962) 7.078 1.946 ( 2.799 0.000 -1.277) 3.077 2.013 ( 1.168 0.000 -1.355) 1.789 2.080 ( 3.929 0.000 8.387) 9.262 2.146 ( 0.266 0.000 -1.736) 1.757 2.308 ( -2.583 0.000 -0.148) 2.588 2.535 ( 2.426 0.000 2.132) 3.230 2.574 ( 0.672 0.000 1.950) 2.063 2.639 ( -4.778 0.000 1.898) 5.141 2.680 ( 0.499 0.000 -0.937) 1.062 2.709 ( -2.553 0.000 -1.627) 3.027 2.931 ( 2.254 0.000 -0.541) 2.318 3.008 ( -0.174 0.000 -1.706) 1.715 3.022 ( -0.482 0.000 2.035) 2.091 3.053 ( 6.532 0.000 3.648) 7.482 3.204 ( -0.151 0.000 -2.168) 2.174 3.253 ( -0.311 0.000 0.231) 0.387 3.370 ( -2.304 0.000 5.789) 6.230 3.544 ( 1.503 0.000 -4.471) 4.717 3.602 ( 1.885 0.000 0.590) 1.975 4.183 ( -5.513 0.000 -1.600) 5.741 4.391 ( 1.507 0.000 0.760) 1.688 4.589 ( -0.436 0.000 -1.044) 1.131 4.620 ( -0.899 0.000 0.121) 0.907 6.290 ( 0.061 0.000 -0.113) 0.129 6.325 ( 0.374 0.000 -0.285) 0.471 8.120 ( -0.689 0.000 -1.036) 1.244 8.309 ( 0.615 0.000 0.116) 0.625 8.363 ( -4.119 0.000 1.138) 4.273 8.376 ( 0.284 0.000 0.006) 0.284 8.512 ( 2.698 0.000 1.849) 3.271 8.734 ( 0.284 0.000 -0.022) 0.285 ======================= Grid point 178 (87/104) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -5.660 0.000 -1.669) 5.901 0.724 ( 0.391 0.000 -4.997) 5.013 0.951 ( -2.037 0.000 -12.618) 12.781 1.067 ( 1.924 0.000 -5.127) 5.476 1.135 ( -3.520 0.000 8.584) 9.278 1.190 ( -0.213 0.000 -1.163) 1.183 1.267 ( -4.720 0.000 -2.140) 5.183 1.441 ( -2.775 0.000 -2.765) 3.918 1.475 ( -1.485 0.000 -4.762) 4.989 1.768 ( 2.717 0.000 7.214) 7.708 1.793 ( 5.295 0.000 -0.809) 5.356 1.980 ( 3.480 0.000 -4.664) 5.820 2.020 ( 0.762 0.000 -2.684) 2.790 2.139 ( -1.098 0.000 2.067) 2.341 2.169 ( 2.321 0.000 -1.856) 2.971 2.254 ( -1.533 0.000 -0.111) 1.537 2.532 ( -0.410 0.000 -1.935) 1.978 2.603 ( 0.571 0.000 3.180) 3.230 2.656 ( -0.128 0.000 3.444) 3.447 2.684 ( 0.894 0.000 -1.857) 2.061 2.716 ( 4.208 0.000 5.850) 7.206 2.952 ( 0.846 0.000 0.021) 0.846 2.989 ( -1.175 0.000 0.007) 1.175 3.029 ( 0.349 0.000 0.645) 0.733 3.185 ( -0.151 0.000 -2.821) 2.825 3.190 ( 5.758 0.000 1.926) 6.071 3.246 ( -0.527 0.000 -0.027) 0.528 3.315 ( -8.103 0.000 5.784) 9.955 3.548 ( 1.085 0.000 -2.340) 2.580 3.644 ( 3.107 0.000 -2.350) 3.896 4.107 ( -1.819 0.000 -0.482) 1.882 4.378 ( -3.018 0.000 -0.484) 3.056 4.572 ( 0.198 0.000 -2.760) 2.767 4.610 ( -1.007 0.000 2.506) 2.701 6.289 ( -0.018 0.000 -0.304) 0.305 6.329 ( 0.242 0.000 -0.493) 0.549 8.102 ( -0.265 0.000 -1.682) 1.703 8.269 ( -6.329 0.000 0.715) 6.369 8.325 ( 0.934 0.000 0.189) 0.953 8.382 ( 0.342 0.000 -0.015) 0.342 8.569 ( 2.434 0.000 0.552) 2.495 8.757 ( 1.499 0.000 1.789) 2.334 ======================= Grid point 179 (88/104) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 1.140 0.000 -15.178) 15.221 0.702 ( 0.463 0.000 -4.136) 4.162 0.936 ( 4.173 0.000 -3.686) 5.568 1.064 ( 0.926 0.000 -2.611) 2.770 1.124 ( -4.929 0.000 9.109) 10.357 1.171 ( 1.134 0.000 -5.922) 6.030 1.202 ( -1.115 0.000 -0.737) 1.336 1.379 ( -2.737 0.000 -0.417) 2.768 1.472 ( 3.442 0.000 0.068) 3.443 1.784 ( -6.305 0.000 3.619) 7.270 1.861 ( 2.759 0.000 6.147) 6.738 2.002 ( -0.484 0.000 -3.822) 3.853 2.016 ( 1.411 0.000 -3.796) 4.050 2.058 ( -3.687 0.000 -1.312) 3.913 2.218 ( 4.350 0.000 -4.751) 6.442 2.257 ( -0.878 0.000 3.809) 3.909 2.572 ( 6.099 0.000 -4.010) 7.299 2.628 ( 0.039 0.000 2.615) 2.615 2.661 ( -1.369 0.000 4.384) 4.593 2.689 ( 0.892 0.000 -1.762) 1.975 2.844 ( 4.859 0.000 3.889) 6.224 2.968 ( 1.251 0.000 -0.621) 1.396 2.970 ( -0.994 0.000 0.445) 1.089 3.040 ( 0.461 0.000 0.161) 0.488 3.167 ( -0.038 0.000 -1.936) 1.936 3.174 ( -9.865 0.000 4.621) 10.893 3.235 ( -0.459 0.000 -0.162) 0.487 3.272 ( 2.397 0.000 0.229) 2.408 3.550 ( 0.141 0.000 -0.325) 0.354 3.676 ( 2.237 0.000 -3.058) 3.789 4.101 ( 0.120 0.000 1.365) 1.370 4.303 ( -3.472 0.000 -1.844) 3.931 4.567 ( 1.166 0.000 -2.915) 3.140 4.610 ( -1.311 0.000 3.506) 3.743 6.287 ( 0.034 0.000 -0.309) 0.311 6.327 ( -0.085 0.000 -0.415) 0.424 8.088 ( -0.031 0.000 -2.115) 2.115 8.175 ( -4.135 0.000 0.959) 4.244 8.342 ( 0.741 0.000 0.164) 0.759 8.386 ( 0.165 0.000 -0.041) 0.170 8.604 ( 1.407 0.000 -0.234) 1.426 8.795 ( 1.166 0.000 1.752) 2.105 ======================= Grid point 180 (89/104) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.000 0.000 0.000) 0.000 0.693 ( -0.000 0.000 -0.000) 0.000 0.971 ( -0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 -0.000) 0.000 1.083 ( -0.000 0.000 0.000) 0.000 1.172 ( -0.000 0.000 0.000) 0.000 1.191 ( -0.000 0.000 -0.000) 0.000 1.350 ( -0.000 0.000 0.000) 0.000 1.559 ( -0.000 0.000 0.000) 0.000 1.683 ( -0.000 0.000 0.000) 0.000 1.923 ( -0.000 0.000 -0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 1.981 ( -0.000 0.000 0.000) 0.000 2.050 ( -0.000 0.000 -0.000) 0.000 2.252 ( 3.020 0.000 -5.620) 6.380 2.252 ( -3.020 0.000 5.619) 6.380 2.636 ( 0.000 0.000 -0.000) 0.000 2.636 ( -0.000 0.000 0.000) 0.000 2.657 ( -0.000 0.000 0.000) 0.000 2.692 ( -0.000 0.000 0.000) 0.000 2.908 ( -0.000 0.000 0.000) 0.000 2.962 ( -0.000 0.000 0.000) 0.000 2.984 ( -0.000 0.000 0.000) 0.000 3.045 ( -0.000 0.000 0.000) 0.000 3.076 ( -0.000 0.000 0.000) 0.000 3.161 ( -0.000 0.000 0.000) 0.000 3.230 ( -0.000 0.000 -0.000) 0.000 3.291 ( -0.000 0.000 0.000) 0.000 3.551 ( -0.000 0.000 0.000) 0.000 3.686 ( -0.000 0.000 -0.000) 0.000 4.108 ( -0.000 0.000 0.000) 0.000 4.262 ( -0.000 0.000 0.000) 0.000 4.571 ( -0.000 0.000 0.000) 0.000 4.608 ( -0.000 0.000 -0.000) 0.000 6.287 ( -0.000 0.000 -0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 8.079 ( -0.000 0.000 0.000) 0.000 8.142 ( -0.000 0.000 0.000) 0.000 8.350 ( -0.000 0.000 0.000) 0.000 8.388 ( -0.000 0.000 0.000) 0.000 8.616 ( -0.000 0.000 0.000) 0.000 8.812 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 185 (90/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.000 8.475 0.000) 8.475 0.979 ( 0.000 -2.311 -0.000) 2.311 1.102 ( 0.000 -0.113 0.000) 0.113 1.111 ( 0.000 -0.374 0.000) 0.374 1.204 ( -0.000 1.817 0.000) 1.817 1.247 ( -0.000 7.044 0.000) 7.044 1.447 ( 0.000 0.582 -0.000) 0.582 1.458 ( -0.000 -3.477 0.000) 3.477 1.578 ( -0.000 7.296 0.000) 7.296 1.647 ( -0.000 2.622 0.000) 2.622 1.790 ( -0.000 6.053 -0.000) 6.053 1.976 ( -0.000 1.632 -0.000) 1.632 1.986 ( 0.000 5.238 0.000) 5.238 2.043 ( -0.000 2.662 0.000) 2.662 2.128 ( -0.000 -1.786 0.000) 1.786 2.327 ( -0.000 1.689 0.000) 1.689 2.463 ( -0.000 -3.061 0.000) 3.061 2.655 ( -0.000 -1.279 0.000) 1.279 2.700 ( -0.000 9.646 0.000) 9.646 2.784 ( -0.000 -2.602 -0.000) 2.602 2.804 ( 0.000 1.018 0.000) 1.018 2.835 ( -0.000 11.512 0.000) 11.512 2.946 ( -0.000 -2.561 0.000) 2.561 3.115 ( -0.000 6.684 0.000) 6.684 3.120 ( 0.000 7.996 0.000) 7.996 3.252 ( 0.000 0.496 0.000) 0.496 3.291 ( -0.000 6.718 0.000) 6.718 3.374 ( 0.000 1.104 0.000) 1.104 3.530 ( -0.000 -1.579 0.000) 1.579 3.581 ( -0.000 0.622 -0.000) 0.622 4.195 ( -0.000 -6.609 0.000) 6.609 4.300 ( 0.000 -4.322 0.000) 4.322 4.528 ( -0.000 -6.102 0.000) 6.102 4.577 ( 0.000 -5.224 0.000) 5.224 6.264 ( 0.000 -2.346 0.000) 2.346 6.300 ( -0.000 -2.065 0.000) 2.065 8.090 ( -0.000 -2.530 0.000) 2.530 8.268 ( -0.000 -3.311 0.000) 3.311 8.363 ( 0.000 -2.215 -0.000) 2.215 8.371 ( -0.000 -2.292 0.000) 2.292 8.530 ( 0.000 4.958 0.000) 4.958 8.722 ( -0.000 -0.902 0.000) 0.902 ======================= Grid point 187 (91/104) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -7.257 4.055 3.704) 9.100 0.947 ( -4.774 7.419 2.347) 9.129 1.025 ( -1.661 0.085 -9.749) 9.890 1.140 ( 1.556 4.861 -0.436) 5.122 1.228 ( 1.511 1.663 4.147) 4.717 1.248 ( -0.581 4.322 -3.796) 5.782 1.380 ( -4.905 0.876 -1.591) 5.231 1.454 ( 0.515 -2.316 -2.199) 3.235 1.566 ( -1.229 3.292 -3.494) 4.955 1.712 ( -0.301 3.028 4.512) 5.442 1.745 ( 5.239 5.888 -7.534) 10.903 1.966 ( 2.487 2.152 -3.111) 4.527 2.050 ( 2.003 2.033 -2.274) 3.649 2.096 ( 2.334 0.545 5.128) 5.660 2.122 ( 0.897 0.339 0.526) 1.093 2.307 ( -2.789 1.700 1.176) 3.472 2.487 ( 1.714 -3.169 3.049) 4.720 2.625 ( -4.689 -0.091 1.579) 4.949 2.662 ( -1.061 0.591 -0.198) 1.230 2.743 ( 0.145 8.729 0.407) 8.739 2.828 ( 0.114 11.871 -1.550) 11.972 2.888 ( 2.451 -2.494 -1.309) 3.734 2.985 ( 4.360 -2.074 0.804) 4.894 3.102 ( -1.658 6.339 1.227) 6.666 3.142 ( 2.115 7.348 1.323) 7.760 3.237 ( -0.824 0.764 -1.876) 2.187 3.298 ( -0.100 6.384 1.978) 6.684 3.378 ( -1.391 0.892 3.252) 3.648 3.535 ( 2.107 -0.751 -3.988) 4.572 3.599 ( 1.436 0.212 0.863) 1.689 4.133 ( -4.333 -4.588 -1.115) 6.408 4.328 ( 1.321 -5.630 -0.137) 5.784 4.525 ( 0.042 -5.825 -1.215) 5.951 4.567 ( -1.076 -5.211 0.468) 5.342 6.265 ( 0.119 -2.298 -0.089) 2.303 6.302 ( 0.290 -2.159 -0.352) 2.207 8.090 ( 0.244 -1.911 -0.716) 2.055 8.254 ( -1.747 -4.174 0.182) 4.528 8.358 ( -0.276 -1.086 1.076) 1.554 8.391 ( 1.338 -0.670 -0.392) 1.547 8.541 ( 0.653 3.235 1.177) 3.504 8.714 ( -0.420 -1.354 -0.029) 1.418 ======================= Grid point 188 (92/104) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.868 5.322 -6.753) 8.798 0.883 ( -2.579 9.043 0.158) 9.405 0.950 ( 1.162 5.640 -8.291) 10.095 1.173 ( -3.023 3.413 8.168) 9.354 1.189 ( 2.487 6.640 -10.984) 13.074 1.264 ( -2.427 5.604 1.486) 6.285 1.300 ( -1.607 2.491 1.931) 3.538 1.436 ( -1.105 0.083 -2.467) 2.705 1.508 ( -0.876 3.485 -4.046) 5.411 1.730 ( 1.563 -0.197 2.361) 2.839 1.815 ( 0.070 -1.256 3.658) 3.868 1.986 ( 2.513 1.359 -4.673) 5.478 2.067 ( 1.387 1.048 -2.693) 3.205 2.126 ( -1.225 -0.605 1.637) 2.132 2.169 ( 3.915 2.881 -2.890) 5.655 2.264 ( -1.406 1.567 0.765) 2.240 2.498 ( -0.870 -2.245 -0.466) 2.452 2.638 ( 3.241 -0.292 3.755) 4.969 2.652 ( -0.861 -0.671 4.049) 4.194 2.760 ( 0.572 8.108 2.177) 8.415 2.810 ( -0.491 8.863 -1.661) 9.031 2.921 ( 2.475 -0.749 -1.482) 2.980 3.045 ( 1.598 1.642 -1.163) 2.570 3.079 ( -1.299 5.353 1.404) 5.685 3.188 ( -0.601 2.594 -1.299) 2.963 3.221 ( 1.022 1.415 3.178) 3.625 3.307 ( -0.411 6.703 2.045) 7.020 3.347 ( -3.145 2.645 1.071) 4.247 3.553 ( 1.645 0.592 -2.034) 2.682 3.634 ( 2.586 -0.509 -1.719) 3.146 4.072 ( -1.588 -3.224 -0.209) 3.600 4.317 ( -2.184 -5.518 -1.025) 6.022 4.517 ( 0.452 -5.279 -2.602) 5.902 4.555 ( -1.049 -5.344 2.356) 5.934 6.265 ( 0.031 -2.186 -0.249) 2.201 6.304 ( 0.196 -2.311 -0.537) 2.380 8.089 ( 0.330 -0.921 -1.443) 1.743 8.207 ( -3.440 -3.818 0.532) 5.167 8.365 ( 0.344 1.293 0.732) 1.525 8.405 ( 0.531 1.296 -0.258) 1.424 8.562 ( 1.019 0.076 0.318) 1.070 8.721 ( 0.878 -2.798 1.165) 3.156 ======================= Grid point 189 (93/104) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 2.130 7.592 -11.232) 13.723 0.843 ( -0.935 10.380 -2.872) 10.810 0.974 ( 3.604 5.263 -3.001) 7.050 1.132 ( -1.829 3.028 0.224) 3.544 1.207 ( -1.716 7.885 1.772) 8.262 1.214 ( 1.279 4.201 -3.502) 5.617 1.308 ( -0.435 7.918 1.765) 8.124 1.401 ( -1.368 1.943 -0.613) 2.454 1.518 ( 3.967 4.865 0.045) 6.278 1.749 ( -3.180 -2.021 3.091) 4.874 1.829 ( 0.541 -3.225 4.447) 5.520 1.966 ( -2.250 -2.350 -4.572) 5.612 2.062 ( -3.928 3.364 0.247) 5.177 2.071 ( 0.351 -0.243 -0.982) 1.071 2.223 ( 3.351 0.514 -3.910) 5.175 2.272 ( 0.839 2.805 1.119) 3.134 2.525 ( 4.769 -3.265 -2.244) 6.200 2.646 ( -1.385 -0.711 3.469) 3.803 2.725 ( 2.103 4.370 1.854) 5.192 2.771 ( -1.033 8.268 0.236) 8.336 2.820 ( 2.153 -1.171 2.269) 3.339 2.952 ( 2.293 -0.796 -3.327) 4.119 3.035 ( -1.322 2.581 -0.407) 2.928 3.072 ( -1.333 5.373 1.593) 5.760 3.145 ( -2.593 2.765 1.775) 4.185 3.233 ( -2.030 2.692 1.392) 3.648 3.314 ( -0.150 6.792 2.035) 7.092 3.325 ( 1.266 4.564 -2.052) 5.161 3.565 ( 0.404 1.647 0.047) 1.696 3.662 ( 1.946 -1.163 -2.851) 3.643 4.065 ( -0.094 -3.313 1.199) 3.525 4.257 ( -2.688 -4.264 -1.746) 5.335 4.513 ( 0.979 -5.143 -2.525) 5.813 4.555 ( -0.962 -5.307 2.964) 6.155 6.264 ( 0.000 -2.150 -0.262) 2.166 6.302 ( -0.038 -2.310 -0.410) 2.346 8.080 ( -0.240 -0.707 -1.753) 1.905 8.155 ( -2.291 -1.428 0.884) 2.841 8.375 ( 0.379 2.253 0.327) 2.308 8.410 ( 0.142 1.838 -0.097) 1.846 8.580 ( 0.920 -1.722 -0.245) 1.968 8.750 ( 1.020 -3.939 1.248) 4.256 ======================= Grid point 190 (94/104) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 9.107 0.000) 9.107 0.824 ( -0.000 9.996 0.000) 9.996 0.998 ( -0.000 4.435 0.000) 4.435 1.116 ( -0.000 2.713 0.000) 2.713 1.190 ( -0.000 6.895 0.000) 6.895 1.222 ( -0.000 6.024 0.000) 6.024 1.307 ( -0.000 8.781 -0.000) 8.781 1.386 ( -0.000 3.064 0.000) 3.064 1.617 ( -0.000 5.631 0.000) 5.631 1.675 ( -0.000 0.066 0.000) 0.066 1.867 ( -0.000 -2.984 0.000) 2.984 1.901 ( -0.000 -5.987 -0.000) 5.987 2.029 ( -0.000 4.048 0.000) 4.048 2.071 ( -0.000 -1.082 -0.000) 1.082 2.239 ( 0.000 -1.157 -0.000) 1.157 2.285 ( -0.000 4.097 0.000) 4.097 2.587 ( 0.000 -5.169 0.000) 5.169 2.635 ( -0.000 0.613 0.000) 0.613 2.749 ( -0.000 4.426 0.000) 4.426 2.750 ( -0.000 8.842 -0.000) 8.842 2.863 ( -0.000 -4.074 0.000) 4.074 2.956 ( -0.000 -5.372 -0.000) 5.372 3.013 ( -0.000 4.912 0.000) 4.912 3.064 ( -0.000 8.005 0.000) 8.005 3.130 ( -0.000 3.785 0.000) 3.785 3.214 ( -0.000 3.718 0.000) 3.718 3.318 ( -0.000 7.232 0.000) 7.232 3.334 ( -0.000 3.995 0.000) 3.995 3.569 ( -0.000 2.082 0.000) 2.082 3.670 ( -0.000 -1.491 -0.000) 1.491 4.069 ( -0.000 -3.555 0.000) 3.555 4.225 ( -0.000 -3.589 0.000) 3.589 4.516 ( -0.000 -5.279 0.000) 5.279 4.555 ( -0.000 -5.102 -0.000) 5.102 6.263 ( -0.000 -2.181 -0.000) 2.181 6.300 ( -0.000 -2.247 0.000) 2.247 8.069 ( -0.000 -0.793 0.000) 0.793 8.139 ( -0.000 -0.276 0.000) 0.276 8.380 ( -0.000 2.339 0.000) 2.339 8.410 ( -0.000 1.907 -0.000) 1.907 8.588 ( -0.000 -2.180 -0.000) 2.180 8.764 ( -0.000 -4.255 0.000) 4.255 ======================= Grid point 195 (95/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 1.104 -0.000) 1.104 1.020 ( -0.000 6.093 0.000) 6.093 1.088 ( 0.000 -0.197 0.000) 0.197 1.105 ( -0.000 0.868 -0.000) 0.868 1.288 ( -0.000 2.932 0.000) 2.932 1.379 ( 0.000 4.616 0.000) 4.616 1.408 ( -0.000 0.700 -0.000) 0.700 1.437 ( -0.000 -1.400 0.000) 1.400 1.712 ( -0.000 2.607 0.000) 2.607 1.715 ( 0.000 4.865 -0.000) 4.865 1.870 ( -0.000 2.454 0.000) 2.454 1.996 ( -0.000 -0.147 0.000) 0.147 2.077 ( 0.000 1.064 0.000) 1.064 2.091 ( -0.000 2.010 0.000) 2.010 2.181 ( -0.000 8.151 0.000) 8.151 2.390 ( 0.000 -0.498 0.000) 0.498 2.456 ( -0.000 6.628 0.000) 6.628 2.628 ( -0.000 -0.670 0.000) 0.670 2.739 ( -0.000 -0.830 0.000) 0.830 2.758 ( 0.000 -0.245 0.000) 0.245 2.889 ( 0.000 -2.584 0.000) 2.584 2.967 ( -0.000 6.394 0.000) 6.394 3.107 ( 0.000 12.901 0.000) 12.901 3.177 ( -0.000 3.249 0.000) 3.249 3.291 ( -0.000 8.245 0.000) 8.245 3.362 ( 0.000 7.409 0.000) 7.409 3.398 ( -0.000 2.295 0.000) 2.295 3.436 ( -0.000 4.450 0.000) 4.450 3.517 ( -0.000 3.304 0.000) 3.304 3.628 ( -0.000 3.986 -0.000) 3.986 4.050 ( -0.000 -6.428 0.000) 6.428 4.186 ( -0.000 -6.514 0.000) 6.514 4.366 ( -0.000 -9.495 -0.000) 9.495 4.423 ( -0.000 -9.667 0.000) 9.667 6.209 ( -0.000 -2.642 0.000) 2.642 6.245 ( 0.000 -3.045 0.000) 3.045 8.061 ( -0.000 -0.295 0.000) 0.295 8.186 ( 0.000 -4.241 0.000) 4.241 8.297 ( 0.000 -3.555 -0.000) 3.555 8.312 ( -0.000 -3.215 0.000) 3.215 8.630 ( 0.000 4.165 0.000) 4.165 8.712 ( -0.000 -0.052 0.000) 0.052 ======================= Grid point 197 (96/104) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -3.559 5.223 -1.491) 6.493 1.004 ( -0.978 3.911 -2.737) 4.872 1.134 ( 8.310 3.143 -2.875) 9.338 1.233 ( 4.419 0.461 7.452) 8.676 1.273 ( -2.125 5.932 -0.181) 6.304 1.309 ( -3.906 2.908 -3.090) 5.768 1.397 ( -2.892 0.324 -1.781) 3.412 1.431 ( 1.287 0.353 -0.265) 1.360 1.651 ( -3.156 3.378 -1.242) 4.787 1.754 ( 0.434 -0.526 0.528) 0.863 1.836 ( -3.119 4.029 -0.784) 5.155 1.990 ( -0.419 -1.134 -1.265) 1.749 2.066 ( 0.740 1.917 -0.817) 2.211 2.125 ( 2.416 1.907 -0.597) 3.135 2.214 ( 3.193 6.703 0.774) 7.465 2.380 ( -2.508 2.609 2.599) 4.456 2.446 ( -1.239 1.228 2.123) 2.748 2.629 ( 0.193 -0.299 -2.184) 2.212 2.665 ( -2.927 2.696 1.444) 4.233 2.820 ( 1.893 -1.693 -2.572) 3.615 2.915 ( 3.465 -2.008 -2.194) 4.566 2.982 ( 0.837 4.582 2.603) 5.336 3.103 ( 0.565 12.541 -1.115) 12.604 3.173 ( -0.780 4.116 1.116) 4.335 3.300 ( 0.852 7.742 0.065) 7.789 3.343 ( -1.784 8.606 0.406) 8.799 3.397 ( -0.108 1.189 0.525) 1.304 3.454 ( 0.793 6.190 1.090) 6.335 3.530 ( 2.104 2.388 -1.601) 3.563 3.641 ( 0.892 4.000 1.075) 4.237 4.024 ( -2.176 -5.251 -0.350) 5.695 4.191 ( 0.542 -7.273 -1.043) 7.367 4.368 ( 0.419 -9.342 -0.921) 9.397 4.414 ( -1.055 -9.585 0.498) 9.656 6.211 ( 0.183 -2.640 -0.049) 2.646 6.245 ( 0.135 -3.110 -0.419) 3.141 8.067 ( 0.666 -0.324 -0.318) 0.806 8.167 ( -1.718 -3.956 0.109) 4.314 8.311 ( 1.494 -2.931 0.646) 3.353 8.345 ( 2.891 -3.205 -0.024) 4.317 8.620 ( -1.084 3.720 -0.011) 3.874 8.699 ( -1.278 -0.114 0.108) 1.287 ======================= Grid point 198 (97/104) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.413 8.267 -7.632) 11.340 1.029 ( 2.794 8.662 1.380) 9.205 1.163 ( -4.356 9.150 -2.249) 10.381 1.241 ( -3.840 2.789 3.803) 6.082 1.265 ( 6.565 -0.327 -7.334) 9.849 1.322 ( -0.864 2.865 -0.032) 2.993 1.371 ( 2.444 3.524 3.797) 5.728 1.450 ( 1.345 0.519 -0.696) 1.601 1.599 ( -0.953 3.873 -1.802) 4.376 1.743 ( -2.108 -5.153 2.383) 6.056 1.782 ( -2.482 4.319 0.882) 5.059 1.964 ( -0.201 -3.058 -3.592) 4.722 2.070 ( -0.995 1.604 0.913) 2.097 2.162 ( 1.068 1.312 1.162) 2.052 2.291 ( 2.130 8.416 -2.964) 9.173 2.315 ( -1.055 2.931 -0.493) 3.154 2.452 ( -0.688 -2.342 1.605) 2.921 2.619 ( 0.078 -1.550 2.071) 2.588 2.659 ( 0.401 2.382 2.591) 3.543 2.822 ( 0.787 -0.798 -3.021) 3.222 2.931 ( -0.032 -1.082 -3.585) 3.745 3.004 ( -0.465 4.160 1.427) 4.423 3.135 ( 2.833 8.655 0.446) 9.117 3.170 ( 0.048 7.231 0.716) 7.266 3.293 ( -2.120 7.632 0.694) 7.951 3.338 ( 0.517 8.376 1.532) 8.531 3.398 ( 0.361 2.312 -0.785) 2.468 3.467 ( -0.046 7.388 1.128) 7.474 3.567 ( 2.859 1.446 -1.592) 3.578 3.664 ( 0.845 4.064 0.573) 4.190 3.990 ( -1.248 -4.342 0.189) 4.522 4.180 ( -0.978 -7.342 -1.540) 7.566 4.368 ( 0.590 -9.102 -2.051) 9.348 4.401 ( -0.972 -9.554 1.771) 9.765 6.213 ( 0.091 -2.604 -0.150) 2.610 6.245 ( 0.110 -3.208 -0.567) 3.260 8.075 ( 0.396 -0.444 -0.887) 1.068 8.138 ( -1.487 -2.839 0.532) 3.249 8.350 ( 2.201 -2.156 0.536) 3.127 8.397 ( 2.575 -2.116 0.092) 3.334 8.595 ( -1.369 2.768 -0.119) 3.090 8.678 ( -0.944 -1.001 0.322) 1.413 ======================= Grid point 199 (98/104) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 2.899 11.395 -6.042) 13.219 1.032 ( -2.243 8.425 -1.188) 8.799 1.136 ( 1.832 8.055 -1.901) 8.477 1.184 ( -2.212 2.070 0.223) 3.038 1.295 ( -1.279 3.269 1.494) 3.815 1.349 ( 5.208 3.826 -4.556) 7.907 1.417 ( -0.214 4.613 2.065) 5.059 1.482 ( 0.980 4.239 3.351) 5.491 1.616 ( 4.342 2.280 -1.948) 5.277 1.722 ( -1.718 -3.784 2.291) 4.745 1.760 ( -1.371 0.551 2.799) 3.165 1.938 ( -0.416 -1.014 -4.872) 4.994 2.034 ( -2.896 -0.139 0.850) 3.021 2.163 ( -2.521 4.566 0.940) 5.300 2.222 ( -1.966 0.379 -0.927) 2.206 2.369 ( 1.550 4.432 -0.769) 4.757 2.462 ( 3.386 -1.864 -1.792) 4.260 2.645 ( 0.227 0.448 2.328) 2.382 2.712 ( 2.589 -3.141 4.564) 6.116 2.814 ( 0.654 -0.725 -3.818) 3.941 2.874 ( -3.800 -0.925 -1.377) 4.147 2.994 ( -0.687 4.641 -0.582) 4.728 3.181 ( 1.145 9.244 1.345) 9.411 3.185 ( 1.292 7.612 0.099) 7.722 3.258 ( -2.039 8.153 1.011) 8.464 3.346 ( -0.614 7.658 1.001) 7.748 3.407 ( 1.369 3.518 -1.577) 4.092 3.473 ( 0.068 7.398 0.966) 7.461 3.608 ( 2.326 1.717 -0.282) 2.905 3.670 ( -0.200 4.017 -0.842) 4.109 3.981 ( -0.325 -4.490 0.904) 4.592 4.144 ( -1.498 -6.423 -1.499) 6.764 4.365 ( 0.511 -9.154 -1.705) 9.326 4.402 ( -0.315 -9.495 1.810) 9.671 6.212 ( -0.049 -2.580 -0.181) 2.587 6.243 ( 0.043 -3.187 -0.367) 3.208 8.065 ( -0.623 -0.583 -0.859) 1.211 8.127 ( -0.215 -1.380 0.500) 1.483 8.387 ( 1.409 -1.282 0.300) 1.929 8.431 ( 1.129 -0.459 0.023) 1.219 8.576 ( -0.611 1.721 -0.116) 1.830 8.672 ( -0.074 -2.754 0.355) 2.778 ======================= Grid point 200 (99/104) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 11.936 0.000) 11.936 1.003 ( -0.000 7.454 -0.000) 7.454 1.145 ( -0.000 7.828 0.000) 7.828 1.170 ( -0.000 2.147 0.000) 2.147 1.286 ( -0.000 4.158 0.000) 4.158 1.391 ( -0.000 7.644 0.000) 7.644 1.411 ( -0.000 2.012 -0.000) 2.012 1.502 ( 0.000 6.444 -0.000) 6.444 1.682 ( -0.000 -1.616 -0.000) 1.616 1.705 ( -0.000 1.081 0.000) 1.081 1.764 ( -0.000 -4.967 0.000) 4.967 1.897 ( -0.000 5.165 -0.000) 5.165 2.009 ( -0.000 -2.256 0.000) 2.256 2.126 ( -0.000 5.249 0.000) 5.249 2.211 ( -0.000 -1.573 -0.000) 1.573 2.377 ( -0.000 2.227 0.000) 2.227 2.504 ( -0.000 -1.259 0.000) 1.259 2.653 ( -0.000 1.053 0.000) 1.053 2.773 ( -0.000 -4.137 0.000) 4.137 2.785 ( -0.000 -5.387 -0.000) 5.387 2.831 ( -0.000 3.526 0.000) 3.526 2.983 ( -0.000 4.580 0.000) 4.580 3.192 ( -0.000 11.282 0.000) 11.282 3.203 ( -0.000 5.782 0.000) 5.782 3.241 ( -0.000 8.593 0.000) 8.593 3.341 ( -0.000 7.821 0.000) 7.821 3.416 ( -0.000 3.629 0.000) 3.629 3.478 ( -0.000 7.263 0.000) 7.263 3.643 ( -0.000 0.021 -0.000) 0.021 3.650 ( -0.000 5.986 0.000) 5.986 3.982 ( -0.000 -4.441 0.000) 4.441 4.124 ( -0.000 -6.080 0.000) 6.080 4.365 ( -0.000 -9.293 0.000) 9.293 4.406 ( -0.000 -9.371 -0.000) 9.371 6.211 ( -0.000 -2.586 -0.000) 2.586 6.242 ( -0.000 -3.135 0.000) 3.135 8.055 ( -0.000 -0.384 0.000) 0.384 8.128 ( -0.000 -0.975 0.000) 0.975 8.401 ( -0.000 -0.849 0.000) 0.849 8.440 ( -0.000 0.286 0.000) 0.286 8.571 ( -0.000 1.200 0.000) 1.200 8.674 ( -0.000 -3.598 0.000) 3.598 ======================= Grid point 205 (100/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 2.099 -0.000) 2.099 1.045 ( 0.000 -1.483 0.000) 1.483 1.159 ( 0.000 4.106 0.000) 4.106 1.184 ( -0.000 7.343 0.000) 7.343 1.249 ( -0.000 -4.115 0.000) 4.115 1.331 ( 0.000 -6.308 0.000) 6.308 1.477 ( -0.000 2.410 0.000) 2.410 1.481 ( 0.000 2.624 -0.000) 2.624 1.742 ( -0.000 1.116 -0.000) 1.116 1.761 ( 0.000 0.011 0.000) 0.011 1.926 ( -0.000 2.974 0.000) 2.974 1.976 ( 0.000 -1.744 0.000) 1.744 2.098 ( 0.000 1.093 0.000) 1.093 2.112 ( -0.000 -0.018 0.000) 0.018 2.316 ( 0.000 4.196 -0.000) 4.196 2.365 ( 0.000 -1.377 0.000) 1.377 2.591 ( -0.000 4.039 0.000) 4.039 2.625 ( 0.000 -0.196 0.000) 0.196 2.768 ( 0.000 1.513 -0.000) 1.513 2.773 ( -0.000 3.514 0.000) 3.514 2.843 ( 0.000 -0.872 0.000) 0.872 2.930 ( 0.000 -5.977 -0.000) 5.977 3.297 ( 0.000 4.589 0.000) 4.589 3.302 ( -0.000 4.018 -0.000) 4.018 3.405 ( 0.000 1.569 -0.000) 1.569 3.414 ( -0.000 1.803 0.000) 1.803 3.482 ( -0.000 4.936 0.000) 4.936 3.527 ( -0.000 3.649 0.000) 3.649 3.668 ( 0.000 6.962 0.000) 6.962 3.703 ( -0.000 2.311 0.000) 2.311 3.995 ( 0.000 2.136 0.000) 2.136 4.062 ( 0.000 -4.575 0.000) 4.575 4.174 ( 0.000 -7.581 0.000) 7.581 4.210 ( -0.000 -9.908 0.000) 9.908 6.173 ( -0.000 -0.557 -0.000) 0.557 6.190 ( 0.000 -2.066 0.000) 2.066 8.072 ( -0.000 1.243 0.000) 1.243 8.112 ( 0.000 -2.802 0.000) 2.802 8.245 ( -0.000 -1.150 0.000) 1.150 8.255 ( -0.000 -1.972 0.000) 1.972 8.691 ( 0.000 1.898 0.000) 1.898 8.711 ( -0.000 -0.284 -0.000) 0.284 ======================= Grid point 207 (101/104) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.761 4.828 -2.962) 5.716 1.069 ( 3.287 -1.152 -0.337) 3.500 1.188 ( 2.371 4.988 1.823) 5.816 1.256 ( 6.086 1.817 -1.909) 6.632 1.274 ( 1.781 -1.587 2.654) 3.569 1.347 ( 2.626 -3.941 -4.192) 6.324 1.432 ( -4.067 3.533 0.358) 5.399 1.462 ( -1.945 1.121 0.615) 2.328 1.684 ( -4.457 1.025 -0.194) 4.577 1.719 ( -3.979 -1.913 -1.083) 4.546 1.914 ( -2.348 3.160 1.127) 4.095 1.961 ( -2.113 -1.613 0.659) 2.739 2.108 ( 0.892 1.976 0.239) 2.181 2.138 ( 1.515 -0.651 0.455) 1.711 2.325 ( 0.983 3.459 2.954) 4.654 2.370 ( -0.215 -1.522 4.381) 4.643 2.537 ( -3.459 4.876 -3.683) 7.022 2.606 ( -0.738 -1.949 -4.440) 4.905 2.780 ( -0.696 6.967 1.454) 7.151 2.806 ( 1.219 0.738 -3.424) 3.708 2.856 ( 4.149 -2.601 -1.814) 5.222 2.934 ( 0.431 -6.111 1.934) 6.424 3.288 ( 0.088 4.719 -1.535) 4.963 3.303 ( 0.611 3.457 -1.400) 3.779 3.419 ( 1.382 2.278 0.167) 2.669 3.427 ( 0.177 2.310 2.343) 3.295 3.491 ( 1.028 5.447 -0.539) 5.569 3.529 ( -0.216 3.319 1.050) 3.488 3.673 ( 0.196 7.015 0.939) 7.080 3.716 ( 0.969 1.894 1.317) 2.502 3.978 ( -1.675 2.222 0.075) 2.784 4.058 ( -0.098 -4.945 -1.099) 5.067 4.176 ( 0.438 -7.662 -0.763) 7.712 4.205 ( -0.545 -9.503 0.049) 9.519 6.174 ( 0.147 -0.626 -0.138) 0.657 6.190 ( 0.082 -2.027 -0.330) 2.055 8.073 ( 0.084 0.824 -0.016) 0.828 8.103 ( -0.803 -2.288 0.100) 2.427 8.267 ( 2.250 -0.802 0.275) 2.405 8.284 ( 2.812 -2.265 0.147) 3.614 8.678 ( -1.335 1.912 -0.210) 2.341 8.699 ( -1.339 -0.292 0.004) 1.371 ======================= Grid point 208 (102/104) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 3.898 8.546 -2.556) 9.735 1.160 ( 5.603 -2.942 2.563) 6.828 1.240 ( 2.221 3.928 -0.768) 4.578 1.273 ( -2.998 2.395 -0.883) 3.937 1.277 ( -4.059 2.024 -3.163) 5.529 1.366 ( 1.976 -1.522 -1.657) 2.995 1.427 ( 4.812 2.543 0.431) 5.459 1.473 ( 3.918 0.670 -1.298) 4.181 1.620 ( -2.937 -1.306 2.283) 3.943 1.643 ( -3.256 -2.549 0.012) 4.136 1.866 ( -3.050 3.260 0.870) 4.548 1.914 ( -2.293 -1.903 -0.434) 3.011 2.117 ( -0.641 2.564 1.025) 2.835 2.159 ( 0.337 -1.355 1.397) 1.975 2.363 ( -1.228 1.855 0.268) 2.241 2.402 ( -0.402 -2.094 2.312) 3.145 2.463 ( -0.003 7.158 -1.374) 7.289 2.571 ( -0.243 -3.489 0.600) 3.549 2.732 ( -2.081 3.968 -2.648) 5.205 2.801 ( -0.104 -2.232 -5.209) 5.668 2.903 ( 1.656 1.218 -0.334) 2.083 2.973 ( 1.543 -4.093 1.411) 4.596 3.293 ( 1.613 4.817 -1.342) 5.254 3.316 ( 1.790 2.944 -1.428) 3.730 3.435 ( -0.621 4.646 1.105) 4.816 3.445 ( 0.765 2.351 1.153) 2.728 3.504 ( 0.313 6.023 0.253) 6.037 3.532 ( 0.100 1.510 0.524) 1.602 3.689 ( 0.915 7.434 1.251) 7.594 3.750 ( 1.423 1.897 2.083) 3.156 3.945 ( -1.680 2.077 -0.227) 2.681 4.043 ( -0.654 -5.595 -1.645) 5.868 4.177 ( 0.268 -7.797 -1.251) 7.901 4.197 ( -0.343 -8.861 0.449) 8.879 6.176 ( 0.096 -0.737 -0.215) 0.774 6.189 ( 0.077 -1.946 -0.437) 1.996 8.073 ( -0.140 0.356 -0.200) 0.432 8.093 ( -0.279 -1.621 0.306) 1.673 8.318 ( 2.945 -0.313 0.210) 2.969 8.343 ( 3.269 -2.463 0.213) 4.098 8.647 ( -1.747 1.932 -0.179) 2.610 8.670 ( -1.689 -0.420 -0.039) 1.741 ======================= Grid point 209 (103/104) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.571 10.343 -2.655) 10.984 1.165 ( -4.571 3.260 -1.019) 5.706 1.207 ( -2.339 0.537 1.358) 2.758 1.251 ( 0.866 -1.488 -1.208) 2.103 1.296 ( 5.248 2.749 0.490) 5.945 1.385 ( 1.438 -1.627 0.023) 2.172 1.519 ( 2.794 4.294 -3.207) 6.044 1.537 ( 3.447 2.920 2.819) 5.325 1.608 ( -0.270 -2.106 0.947) 2.325 1.615 ( 0.281 -4.893 0.268) 4.909 1.827 ( -1.643 3.633 0.164) 3.990 1.889 ( -0.170 -2.782 -1.588) 3.208 2.099 ( -1.373 4.382 0.773) 4.657 2.169 ( -0.244 -2.260 1.578) 2.767 2.288 ( -4.348 3.895 -1.668) 6.072 2.357 ( -2.332 -3.155 -1.553) 4.219 2.523 ( 3.042 5.314 2.455) 6.597 2.618 ( 1.689 -3.743 6.094) 7.349 2.691 ( -0.449 1.773 -3.019) 3.530 2.750 ( -1.140 -3.790 -6.254) 7.401 2.912 ( -0.356 3.613 0.258) 3.640 2.988 ( -0.251 -3.183 0.191) 3.199 3.320 ( 1.726 4.537 -0.728) 4.909 3.340 ( 1.304 2.864 -0.540) 3.193 3.424 ( -0.811 6.672 0.299) 6.728 3.458 ( 0.109 2.401 0.600) 2.477 3.504 ( -0.375 4.827 0.396) 4.857 3.535 ( 0.049 0.104 -0.147) 0.187 3.722 ( 1.733 8.163 1.394) 8.461 3.783 ( 0.670 4.134 1.525) 4.457 3.922 ( -0.558 0.556 -0.136) 0.800 4.014 ( -1.309 -5.939 -1.717) 6.319 4.173 ( 0.116 -7.649 -0.760) 7.688 4.199 ( 0.149 -8.950 0.367) 8.959 6.175 ( -0.019 -0.742 -0.181) 0.764 6.188 ( 0.051 -1.917 -0.273) 1.937 8.066 ( -0.356 0.790 -0.179) 0.884 8.095 ( 0.120 -1.775 0.184) 1.788 8.365 ( 1.973 0.042 0.089) 1.975 8.394 ( 2.065 -2.355 0.139) 3.136 8.620 ( -1.085 1.868 -0.038) 2.161 8.644 ( -1.045 -0.718 -0.047) 1.269 ======================= Grid point 210 (104/104) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 8.326 -0.000) 8.326 1.118 ( -0.000 3.052 -0.000) 3.052 1.203 ( -0.000 1.794 0.000) 1.794 1.248 ( -0.000 0.971 0.000) 0.971 1.351 ( -0.000 2.578 0.000) 2.578 1.415 ( -0.000 -2.074 0.000) 2.074 1.519 ( -0.000 5.175 0.000) 5.175 1.576 ( 0.000 0.645 -0.000) 0.645 1.620 ( 0.000 -3.006 -0.000) 3.006 1.621 ( -0.000 -3.309 0.000) 3.309 1.811 ( -0.000 3.959 0.000) 3.959 1.880 ( -0.000 -3.215 0.000) 3.215 2.093 ( -0.000 5.628 0.000) 5.628 2.171 ( -0.000 -2.468 -0.000) 2.468 2.233 ( -0.000 5.115 0.000) 5.115 2.332 ( -0.000 -4.439 0.000) 4.439 2.562 ( -0.000 4.821 0.000) 4.821 2.664 ( -0.000 -3.671 0.000) 3.671 2.679 ( -0.000 -0.795 -0.000) 0.795 2.706 ( -0.000 -2.235 -0.000) 2.235 2.907 ( -0.000 4.031 0.000) 4.031 2.982 ( -0.000 -2.893 0.000) 2.893 3.335 ( -0.000 4.304 0.000) 4.304 3.350 ( -0.000 2.991 0.000) 2.991 3.417 ( -0.000 7.417 0.000) 7.417 3.460 ( -0.000 2.576 0.000) 2.576 3.501 ( -0.000 3.989 0.000) 3.989 3.535 ( -0.000 -0.558 -0.000) 0.558 3.750 ( 0.000 8.683 0.000) 8.683 3.788 ( -0.000 6.162 0.000) 6.162 3.922 ( -0.000 -0.575 0.000) 0.575 3.991 ( -0.000 -6.535 0.000) 6.535 4.172 ( -0.000 -7.544 0.000) 7.544 4.202 ( -0.000 -9.142 -0.000) 9.142 6.174 ( -0.000 -0.707 -0.000) 0.707 6.187 ( -0.000 -1.927 0.000) 1.927 8.062 ( -0.000 1.132 0.000) 1.132 8.097 ( -0.000 -1.978 0.000) 1.978 8.384 ( -0.000 0.181 0.000) 0.181 8.414 ( -0.000 -2.215 0.000) 2.215 8.610 ( -0.000 1.784 0.000) 1.784 8.634 ( -0.000 -0.901 -0.000) 0.901 =================== 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 3/14112 10.0 28.730 15.892 31.664 0.000 -4.459 0.000 3/14112 20.0 7.384 4.394 8.249 0.000 -1.037 0.000 3/14112 30.0 3.767 2.504 4.321 0.000 -0.527 0.000 3/14112 40.0 2.496 1.846 2.891 0.000 -0.346 0.000 3/14112 50.0 1.876 1.517 2.178 0.000 -0.257 0.000 3/14112 60.0 1.511 1.310 1.754 0.000 -0.205 0.000 3/14112 70.0 1.269 1.160 1.472 0.000 -0.171 0.000 3/14112 80.0 1.098 1.044 1.271 0.000 -0.147 0.000 3/14112 90.0 0.968 0.950 1.120 0.000 -0.129 0.000 3/14112 100.0 0.867 0.872 1.001 0.000 -0.115 0.000 3/14112 110.0 0.786 0.806 0.906 0.000 -0.104 0.000 3/14112 120.0 0.720 0.750 0.828 0.000 -0.095 0.000 3/14112 130.0 0.664 0.701 0.763 0.000 -0.088 0.000 3/14112 140.0 0.616 0.658 0.707 0.000 -0.081 0.000 3/14112 150.0 0.575 0.619 0.659 0.000 -0.076 0.000 3/14112 160.0 0.539 0.586 0.617 0.000 -0.071 0.000 3/14112 170.0 0.508 0.555 0.580 0.000 -0.067 0.000 3/14112 180.0 0.480 0.528 0.548 0.000 -0.063 0.000 3/14112 190.0 0.455 0.503 0.519 0.000 -0.060 0.000 3/14112 200.0 0.433 0.481 0.493 0.000 -0.057 0.000 3/14112 210.0 0.412 0.460 0.469 0.000 -0.054 0.000 3/14112 220.0 0.394 0.441 0.448 0.000 -0.051 0.000 3/14112 230.0 0.377 0.424 0.428 0.000 -0.049 0.000 3/14112 240.0 0.362 0.408 0.410 0.000 -0.047 0.000 3/14112 250.0 0.348 0.393 0.394 0.000 -0.045 0.000 3/14112 260.0 0.335 0.379 0.379 0.000 -0.044 0.000 3/14112 270.0 0.322 0.366 0.365 0.000 -0.042 0.000 3/14112 280.0 0.311 0.354 0.352 0.000 -0.040 0.000 3/14112 290.0 0.301 0.343 0.340 0.000 -0.039 0.000 3/14112 300.0 0.291 0.333 0.328 0.000 -0.038 0.000 3/14112 310.0 0.282 0.323 0.318 0.000 -0.037 0.000 3/14112 320.0 0.273 0.313 0.308 0.000 -0.035 0.000 3/14112 330.0 0.265 0.305 0.299 0.000 -0.034 0.000 3/14112 340.0 0.258 0.296 0.290 0.000 -0.033 0.000 3/14112 350.0 0.250 0.288 0.282 0.000 -0.032 0.000 3/14112 360.0 0.244 0.281 0.274 0.000 -0.032 0.000 3/14112 370.0 0.237 0.274 0.266 0.000 -0.031 0.000 3/14112 380.0 0.231 0.267 0.259 0.000 -0.030 0.000 3/14112 390.0 0.225 0.261 0.253 0.000 -0.029 0.000 3/14112 400.0 0.220 0.255 0.247 0.000 -0.028 0.000 3/14112 410.0 0.215 0.249 0.241 0.000 -0.028 0.000 3/14112 420.0 0.210 0.243 0.235 0.000 -0.027 0.000 3/14112 430.0 0.205 0.238 0.229 0.000 -0.027 0.000 3/14112 440.0 0.200 0.233 0.224 0.000 -0.026 0.000 3/14112 450.0 0.196 0.228 0.219 0.000 -0.025 0.000 3/14112 460.0 0.192 0.224 0.215 0.000 -0.025 0.000 3/14112 470.0 0.188 0.219 0.210 0.000 -0.024 0.000 3/14112 480.0 0.184 0.215 0.206 0.000 -0.024 0.000 3/14112 490.0 0.181 0.211 0.201 0.000 -0.023 0.000 3/14112 500.0 0.177 0.207 0.197 0.000 -0.023 0.000 3/14112 510.0 0.174 0.203 0.194 0.000 -0.022 0.000 3/14112 520.0 0.170 0.199 0.190 0.000 -0.022 0.000 3/14112 530.0 0.167 0.196 0.186 0.000 -0.022 0.000 3/14112 540.0 0.164 0.192 0.183 0.000 -0.021 0.000 3/14112 550.0 0.161 0.189 0.180 0.000 -0.021 0.000 3/14112 560.0 0.159 0.186 0.176 0.000 -0.020 0.000 3/14112 570.0 0.156 0.183 0.173 0.000 -0.020 0.000 3/14112 580.0 0.153 0.180 0.170 0.000 -0.020 0.000 3/14112 590.0 0.151 0.177 0.167 0.000 -0.019 0.000 3/14112 600.0 0.148 0.174 0.165 0.000 -0.019 0.000 3/14112 610.0 0.146 0.172 0.162 0.000 -0.019 0.000 3/14112 620.0 0.144 0.169 0.159 0.000 -0.019 0.000 3/14112 630.0 0.141 0.167 0.157 0.000 -0.018 0.000 3/14112 640.0 0.139 0.164 0.154 0.000 -0.018 0.000 3/14112 650.0 0.137 0.162 0.152 0.000 -0.018 0.000 3/14112 660.0 0.135 0.159 0.150 0.000 -0.017 0.000 3/14112 670.0 0.133 0.157 0.148 0.000 -0.017 0.000 3/14112 680.0 0.131 0.155 0.145 0.000 -0.017 0.000 3/14112 690.0 0.129 0.153 0.143 0.000 -0.017 0.000 3/14112 700.0 0.128 0.151 0.141 0.000 -0.016 0.000 3/14112 710.0 0.126 0.149 0.139 0.000 -0.016 0.000 3/14112 720.0 0.124 0.147 0.137 0.000 -0.016 0.000 3/14112 730.0 0.123 0.145 0.136 0.000 -0.016 0.000 3/14112 740.0 0.121 0.143 0.134 0.000 -0.016 0.000 3/14112 750.0 0.119 0.141 0.132 0.000 -0.015 0.000 3/14112 760.0 0.118 0.140 0.130 0.000 -0.015 0.000 3/14112 770.0 0.116 0.138 0.129 0.000 -0.015 0.000 3/14112 780.0 0.115 0.136 0.127 0.000 -0.015 0.000 3/14112 790.0 0.114 0.135 0.125 0.000 -0.015 0.000 3/14112 800.0 0.112 0.133 0.124 0.000 -0.014 0.000 3/14112 810.0 0.111 0.131 0.122 0.000 -0.014 0.000 3/14112 820.0 0.109 0.130 0.121 0.000 -0.014 0.000 3/14112 830.0 0.108 0.128 0.119 0.000 -0.014 0.000 3/14112 840.0 0.107 0.127 0.118 0.000 -0.014 0.000 3/14112 850.0 0.106 0.126 0.117 0.000 -0.014 0.000 3/14112 860.0 0.105 0.124 0.115 0.000 -0.013 0.000 3/14112 870.0 0.103 0.123 0.114 0.000 -0.013 0.000 3/14112 880.0 0.102 0.121 0.113 0.000 -0.013 0.000 3/14112 890.0 0.101 0.120 0.111 0.000 -0.013 0.000 3/14112 900.0 0.100 0.119 0.110 0.000 -0.013 0.000 3/14112 910.0 0.099 0.118 0.109 0.000 -0.013 0.000 3/14112 920.0 0.098 0.116 0.108 0.000 -0.013 0.000 3/14112 930.0 0.097 0.115 0.107 0.000 -0.012 0.000 3/14112 940.0 0.096 0.114 0.105 0.000 -0.012 0.000 3/14112 950.0 0.095 0.113 0.104 0.000 -0.012 0.000 3/14112 960.0 0.094 0.112 0.103 0.000 -0.012 0.000 3/14112 970.0 0.093 0.111 0.102 0.000 -0.012 0.000 3/14112 980.0 0.092 0.110 0.101 0.000 -0.012 0.000 3/14112 990.0 0.091 0.109 0.100 0.000 -0.012 0.000 3/14112 1000.0 0.090 0.108 0.099 0.000 -0.012 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m876.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|