----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.745452610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.716127140000000 Atomic positions (fractional): *1 O 0.28573065118137 0.46093302413062 0.71352171474373 15.999 2 O 0.78573065118137 0.03906697586938 0.78647828525627 15.999 3 O 0.21426934881863 0.53906697586938 0.21352171474373 15.999 4 O 0.71426934881863 0.96093302413062 0.28647828525627 15.999 5 O 0.71426934881863 0.53906697586938 0.28647828525627 15.999 6 O 0.21426934881863 0.96093302413062 0.21352171474373 15.999 7 O 0.78573065118137 0.46093302413062 0.78647828525627 15.999 8 O 0.28573065118137 0.03906697586938 0.71352171474373 15.999 *9 O 0.48215942969468 0.25000000000000 0.07379301423547 15.999 10 O 0.98215942969468 0.25000000000000 0.42620698576453 15.999 11 O 0.01784057030532 0.75000000000000 0.57379301423547 15.999 12 O 0.51784057030532 0.75000000000000 0.92620698576453 15.999 *13 Sr 0.53290256326770 0.25000000000000 0.50733895684913 87.620 14 Sr 0.03290256326770 0.25000000000000 0.99266104315087 87.620 15 Sr 0.96709743673230 0.75000000000000 0.00733895684913 87.620 16 Sr 0.46709743673230 0.75000000000000 0.49266104315087 87.620 *17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.745452610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.716127140000000 Atomic positions (fractional): *1 O 0.28573065118137 0.46093302413062 0.71352171474373 15.999 > 1 2 O 0.78573065118137 0.03906697586938 0.78647828525627 15.999 > 2 3 O 0.21426934881863 0.53906697586938 0.21352171474373 15.999 > 3 4 O 0.71426934881863 0.96093302413062 0.28647828525627 15.999 > 4 5 O 0.71426934881863 0.53906697586938 0.28647828525627 15.999 > 5 6 O 0.21426934881863 0.96093302413062 0.21352171474373 15.999 > 6 7 O 0.78573065118137 0.46093302413062 0.78647828525627 15.999 > 7 8 O 0.28573065118137 0.03906697586938 0.71352171474373 15.999 > 8 *9 O 0.48215942969468 0.25000000000000 0.07379301423547 15.999 > 9 10 O 0.98215942969468 0.25000000000000 0.42620698576453 15.999 > 10 11 O 0.01784057030532 0.75000000000000 0.57379301423547 15.999 > 11 12 O 0.51784057030532 0.75000000000000 0.92620698576453 15.999 > 12 *13 Sr 0.53290256326770 0.25000000000000 0.50733895684913 87.620 > 13 14 Sr 0.03290256326770 0.25000000000000 0.99266104315087 87.620 > 14 15 Sr 0.96709743673230 0.75000000000000 0.00733895684913 87.620 > 15 16 Sr 0.46709743673230 0.75000000000000 0.49266104315087 87.620 > 16 *17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 18 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 19 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.490905220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.432254280000000 Atomic positions (fractional): *1 O 0.14286532559068 0.46093302413062 0.35676085737186 15.999 > 1 2 O 0.64286532559068 0.46093302413062 0.35676085737186 15.999 > 1 3 O 0.14286532559068 0.46093302413062 0.85676085737186 15.999 > 1 4 O 0.64286532559068 0.46093302413062 0.85676085737186 15.999 > 1 5 O 0.39286532559068 0.03906697586938 0.39323914262814 15.999 > 2 6 O 0.89286532559068 0.03906697586938 0.39323914262814 15.999 > 2 7 O 0.39286532559068 0.03906697586938 0.89323914262814 15.999 > 2 8 O 0.89286532559068 0.03906697586938 0.89323914262814 15.999 > 2 9 O 0.10713467440932 0.53906697586938 0.10676085737186 15.999 > 3 10 O 0.60713467440932 0.53906697586938 0.10676085737186 15.999 > 3 11 O 0.10713467440932 0.53906697586938 0.60676085737186 15.999 > 3 12 O 0.60713467440932 0.53906697586938 0.60676085737186 15.999 > 3 13 O 0.35713467440932 0.96093302413062 0.14323914262814 15.999 > 4 14 O 0.85713467440932 0.96093302413062 0.14323914262814 15.999 > 4 15 O 0.35713467440932 0.96093302413062 0.64323914262814 15.999 > 4 16 O 0.85713467440932 0.96093302413062 0.64323914262814 15.999 > 4 17 O 0.35713467440932 0.53906697586938 0.14323914262814 15.999 > 5 18 O 0.85713467440932 0.53906697586938 0.14323914262814 15.999 > 5 19 O 0.35713467440932 0.53906697586938 0.64323914262814 15.999 > 5 20 O 0.85713467440932 0.53906697586938 0.64323914262814 15.999 > 5 21 O 0.10713467440932 0.96093302413062 0.10676085737186 15.999 > 6 22 O 0.60713467440932 0.96093302413062 0.10676085737186 15.999 > 6 23 O 0.10713467440932 0.96093302413062 0.60676085737186 15.999 > 6 24 O 0.60713467440932 0.96093302413062 0.60676085737186 15.999 > 6 25 O 0.39286532559068 0.46093302413062 0.39323914262814 15.999 > 7 26 O 0.89286532559068 0.46093302413062 0.39323914262814 15.999 > 7 27 O 0.39286532559068 0.46093302413062 0.89323914262814 15.999 > 7 28 O 0.89286532559068 0.46093302413062 0.89323914262814 15.999 > 7 29 O 0.14286532559068 0.03906697586938 0.35676085737186 15.999 > 8 30 O 0.64286532559068 0.03906697586938 0.35676085737186 15.999 > 8 31 O 0.14286532559068 0.03906697586938 0.85676085737186 15.999 > 8 32 O 0.64286532559068 0.03906697586938 0.85676085737186 15.999 > 8 *33 O 0.24107971484734 0.25000000000000 0.03689650711773 15.999 > 9 34 O 0.74107971484734 0.25000000000000 0.03689650711773 15.999 > 9 35 O 0.24107971484734 0.25000000000000 0.53689650711773 15.999 > 9 36 O 0.74107971484734 0.25000000000000 0.53689650711773 15.999 > 9 37 O 0.49107971484734 0.25000000000000 0.21310349288227 15.999 > 10 38 O 0.99107971484734 0.25000000000000 0.21310349288227 15.999 > 10 39 O 0.49107971484734 0.25000000000000 0.71310349288227 15.999 > 10 40 O 0.99107971484734 0.25000000000000 0.71310349288227 15.999 > 10 41 O 0.00892028515266 0.75000000000000 0.28689650711773 15.999 > 11 42 O 0.50892028515266 0.75000000000000 0.28689650711773 15.999 > 11 43 O 0.00892028515266 0.75000000000000 0.78689650711773 15.999 > 11 44 O 0.50892028515266 0.75000000000000 0.78689650711773 15.999 > 11 45 O 0.25892028515266 0.75000000000000 0.46310349288227 15.999 > 12 46 O 0.75892028515266 0.75000000000000 0.46310349288227 15.999 > 12 47 O 0.25892028515266 0.75000000000000 0.96310349288227 15.999 > 12 48 O 0.75892028515266 0.75000000000000 0.96310349288227 15.999 > 12 *49 Sr 0.26645128163385 0.25000000000000 0.25366947842456 87.620 > 13 50 Sr 0.76645128163385 0.25000000000000 0.25366947842456 87.620 > 13 51 Sr 0.26645128163385 0.25000000000000 0.75366947842456 87.620 > 13 52 Sr 0.76645128163385 0.25000000000000 0.75366947842456 87.620 > 13 53 Sr 0.01645128163385 0.25000000000000 0.49633052157544 87.620 > 14 54 Sr 0.51645128163385 0.25000000000000 0.49633052157544 87.620 > 14 55 Sr 0.01645128163385 0.25000000000000 0.99633052157544 87.620 > 14 56 Sr 0.51645128163385 0.25000000000000 0.99633052157544 87.620 > 14 57 Sr 0.48354871836615 0.75000000000000 0.00366947842456 87.620 > 15 58 Sr 0.98354871836615 0.75000000000000 0.00366947842456 87.620 > 15 59 Sr 0.48354871836615 0.75000000000000 0.50366947842456 87.620 > 15 60 Sr 0.98354871836615 0.75000000000000 0.50366947842456 87.620 > 15 61 Sr 0.23354871836615 0.75000000000000 0.24633052157544 87.620 > 16 62 Sr 0.73354871836615 0.75000000000000 0.24633052157544 87.620 > 16 63 Sr 0.23354871836615 0.75000000000000 0.74633052157544 87.620 > 16 64 Sr 0.73354871836615 0.75000000000000 0.74633052157544 87.620 > 16 *65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 17 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 17 67 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 17 68 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 17 69 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 18 70 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 18 71 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 18 72 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 18 73 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 19 74 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 19 75 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 19 76 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 19 77 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 20 78 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 20 79 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 20 80 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5228895 0.0000000 0.0000000 0.0000000 4.4726317 0.0000000 0.0000000 0.0000000 4.4927774 -------------------------- Born effective charges -------------------------- 1 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 2 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 3 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 4 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 5 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 6 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 7 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 8 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 9 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 10 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 11 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 12 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 13 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 14 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 15 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 16 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 17 Sn 4.2498130 -0.0222456 0.2507489 -0.0961071 4.2377548 0.3505440 -0.2565688 -0.4434693 4.2309139 18 Sn 4.2498130 0.0222456 -0.2507489 0.0961071 4.2377548 0.3505440 0.2565688 -0.4434693 4.2309139 19 Sn 4.2498130 -0.0222456 -0.2507489 -0.0961071 4.2377548 -0.3505440 0.2565688 0.4434693 4.2309139 20 Sn 4.2498130 0.0222456 0.2507489 0.0961071 4.2377548 -0.3505440 -0.2565688 0.4434693 4.2309139 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.754 Solver_block: 300 / 320 - Time: 0.787 Solver_block: 320 / 320 - Time: 0.213 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.529 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 19:15:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:15:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.745452610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.716127140000000 Atomic positions (fractional): 1 O 0.28573065118137 0.46093302413062 0.71352171474373 15.999 2 O 0.78573065118137 0.03906697586938 0.78647828525627 15.999 3 O 0.21426934881863 0.53906697586938 0.21352171474373 15.999 4 O 0.71426934881863 0.96093302413062 0.28647828525627 15.999 5 O 0.71426934881863 0.53906697586938 0.28647828525627 15.999 6 O 0.21426934881863 0.96093302413062 0.21352171474373 15.999 7 O 0.78573065118137 0.46093302413062 0.78647828525627 15.999 8 O 0.28573065118137 0.03906697586938 0.71352171474373 15.999 9 O 0.48215942969468 0.25000000000000 0.07379301423547 15.999 10 O 0.98215942969468 0.25000000000000 0.42620698576453 15.999 11 O 0.01784057030532 0.75000000000000 0.57379301423547 15.999 12 O 0.51784057030532 0.75000000000000 0.92620698576453 15.999 13 Sr 0.53290256326770 0.25000000000000 0.50733895684913 87.620 14 Sr 0.03290256326770 0.25000000000000 0.99266104315087 87.620 15 Sr 0.96709743673230 0.75000000000000 0.00733895684913 87.620 16 Sr 0.46709743673230 0.75000000000000 0.49266104315087 87.620 17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.490905220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.432254280000000 Atomic positions (fractional): 1 O 0.14286532559068 0.46093302413062 0.35676085737186 15.999 > 1 2 O 0.64286532559068 0.46093302413062 0.35676085737186 15.999 > 1 3 O 0.14286532559068 0.46093302413062 0.85676085737186 15.999 > 1 4 O 0.64286532559068 0.46093302413062 0.85676085737186 15.999 > 1 5 O 0.39286532559068 0.03906697586938 0.39323914262814 15.999 > 5 6 O 0.89286532559068 0.03906697586938 0.39323914262814 15.999 > 5 7 O 0.39286532559068 0.03906697586938 0.89323914262814 15.999 > 5 8 O 0.89286532559068 0.03906697586938 0.89323914262814 15.999 > 5 9 O 0.10713467440932 0.53906697586938 0.10676085737186 15.999 > 9 10 O 0.60713467440932 0.53906697586938 0.10676085737186 15.999 > 9 11 O 0.10713467440932 0.53906697586938 0.60676085737186 15.999 > 9 12 O 0.60713467440932 0.53906697586938 0.60676085737186 15.999 > 9 13 O 0.35713467440932 0.96093302413062 0.14323914262814 15.999 > 13 14 O 0.85713467440932 0.96093302413062 0.14323914262814 15.999 > 13 15 O 0.35713467440932 0.96093302413062 0.64323914262814 15.999 > 13 16 O 0.85713467440932 0.96093302413062 0.64323914262814 15.999 > 13 17 O 0.35713467440932 0.53906697586938 0.14323914262814 15.999 > 17 18 O 0.85713467440932 0.53906697586938 0.14323914262814 15.999 > 17 19 O 0.35713467440932 0.53906697586938 0.64323914262814 15.999 > 17 20 O 0.85713467440932 0.53906697586938 0.64323914262814 15.999 > 17 21 O 0.10713467440932 0.96093302413062 0.10676085737186 15.999 > 21 22 O 0.60713467440932 0.96093302413062 0.10676085737186 15.999 > 21 23 O 0.10713467440932 0.96093302413062 0.60676085737186 15.999 > 21 24 O 0.60713467440932 0.96093302413062 0.60676085737186 15.999 > 21 25 O 0.39286532559068 0.46093302413062 0.39323914262814 15.999 > 25 26 O 0.89286532559068 0.46093302413062 0.39323914262814 15.999 > 25 27 O 0.39286532559068 0.46093302413062 0.89323914262814 15.999 > 25 28 O 0.89286532559068 0.46093302413062 0.89323914262814 15.999 > 25 29 O 0.14286532559068 0.03906697586938 0.35676085737186 15.999 > 29 30 O 0.64286532559068 0.03906697586938 0.35676085737186 15.999 > 29 31 O 0.14286532559068 0.03906697586938 0.85676085737186 15.999 > 29 32 O 0.64286532559068 0.03906697586938 0.85676085737186 15.999 > 29 33 O 0.24107971484734 0.25000000000000 0.03689650711773 15.999 > 33 34 O 0.74107971484734 0.25000000000000 0.03689650711773 15.999 > 33 35 O 0.24107971484734 0.25000000000000 0.53689650711773 15.999 > 33 36 O 0.74107971484734 0.25000000000000 0.53689650711773 15.999 > 33 37 O 0.49107971484734 0.25000000000000 0.21310349288227 15.999 > 37 38 O 0.99107971484734 0.25000000000000 0.21310349288227 15.999 > 37 39 O 0.49107971484734 0.25000000000000 0.71310349288227 15.999 > 37 40 O 0.99107971484734 0.25000000000000 0.71310349288227 15.999 > 37 41 O 0.00892028515266 0.75000000000000 0.28689650711773 15.999 > 41 42 O 0.50892028515266 0.75000000000000 0.28689650711773 15.999 > 41 43 O 0.00892028515266 0.75000000000000 0.78689650711773 15.999 > 41 44 O 0.50892028515266 0.75000000000000 0.78689650711773 15.999 > 41 45 O 0.25892028515266 0.75000000000000 0.46310349288227 15.999 > 45 46 O 0.75892028515266 0.75000000000000 0.46310349288227 15.999 > 45 47 O 0.25892028515266 0.75000000000000 0.96310349288227 15.999 > 45 48 O 0.75892028515266 0.75000000000000 0.96310349288227 15.999 > 45 49 Sr 0.26645128163385 0.25000000000000 0.25366947842456 87.620 > 49 50 Sr 0.76645128163385 0.25000000000000 0.25366947842456 87.620 > 49 51 Sr 0.26645128163385 0.25000000000000 0.75366947842456 87.620 > 49 52 Sr 0.76645128163385 0.25000000000000 0.75366947842456 87.620 > 49 53 Sr 0.01645128163385 0.25000000000000 0.49633052157544 87.620 > 53 54 Sr 0.51645128163385 0.25000000000000 0.49633052157544 87.620 > 53 55 Sr 0.01645128163385 0.25000000000000 0.99633052157544 87.620 > 53 56 Sr 0.51645128163385 0.25000000000000 0.99633052157544 87.620 > 53 57 Sr 0.48354871836615 0.75000000000000 0.00366947842456 87.620 > 57 58 Sr 0.98354871836615 0.75000000000000 0.00366947842456 87.620 > 57 59 Sr 0.48354871836615 0.75000000000000 0.50366947842456 87.620 > 57 60 Sr 0.98354871836615 0.75000000000000 0.50366947842456 87.620 > 57 61 Sr 0.23354871836615 0.75000000000000 0.24633052157544 87.620 > 61 62 Sr 0.73354871836615 0.75000000000000 0.24633052157544 87.620 > 61 63 Sr 0.23354871836615 0.75000000000000 0.74633052157544 87.620 > 61 64 Sr 0.73354871836615 0.75000000000000 0.74633052157544 87.620 > 61 65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 65 67 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 65 68 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 65 69 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 69 70 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 69 71 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 69 72 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 69 73 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 73 75 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 73 76 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 73 77 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 77 78 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 77 79 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 77 80 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5228895 0.0000000 0.0000000 0.0000000 4.4726317 0.0000000 0.0000000 0.0000000 4.4927774 -------------------------- Born effective charges -------------------------- 1 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 2 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 3 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 4 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 5 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 6 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 7 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 8 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 9 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 10 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 11 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 12 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 13 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 14 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 15 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 16 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 17 Sn 4.2498130 -0.0222456 0.2507489 -0.0961071 4.2377548 0.3505440 -0.2565688 -0.4434693 4.2309139 18 Sn 4.2498130 0.0222456 -0.2507489 0.0961071 4.2377548 0.3505440 0.2565688 -0.4434693 4.2309139 19 Sn 4.2498130 -0.0222456 -0.2507489 -0.0961071 4.2377548 -0.3505440 0.2565688 0.4434693 4.2309139 20 Sn 4.2498130 0.0222456 0.2507489 0.0961071 4.2377548 -0.3505440 -0.2565688 0.4434693 4.2309139 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (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 19:16:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:16:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.745452610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.716127140000000 Atomic positions (fractional): 1 O 0.28573065118137 0.46093302413062 0.71352171474373 15.999 2 O 0.78573065118137 0.03906697586938 0.78647828525627 15.999 3 O 0.21426934881863 0.53906697586938 0.21352171474373 15.999 4 O 0.71426934881863 0.96093302413062 0.28647828525627 15.999 5 O 0.71426934881863 0.53906697586938 0.28647828525627 15.999 6 O 0.21426934881863 0.96093302413062 0.21352171474373 15.999 7 O 0.78573065118137 0.46093302413062 0.78647828525627 15.999 8 O 0.28573065118137 0.03906697586938 0.71352171474373 15.999 9 O 0.48215942969468 0.25000000000000 0.07379301423547 15.999 10 O 0.98215942969468 0.25000000000000 0.42620698576453 15.999 11 O 0.01784057030532 0.75000000000000 0.57379301423547 15.999 12 O 0.51784057030532 0.75000000000000 0.92620698576453 15.999 13 Sr 0.53290256326770 0.25000000000000 0.50733895684913 87.620 14 Sr 0.03290256326770 0.25000000000000 0.99266104315087 87.620 15 Sr 0.96709743673230 0.75000000000000 0.00733895684913 87.620 16 Sr 0.46709743673230 0.75000000000000 0.49266104315087 87.620 17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.490905220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.089812240000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.432254280000000 Atomic positions (fractional): 1 O 0.14286532559068 0.46093302413062 0.35676085737186 15.999 > 1 2 O 0.64286532559068 0.46093302413062 0.35676085737186 15.999 > 1 3 O 0.14286532559068 0.46093302413062 0.85676085737186 15.999 > 1 4 O 0.64286532559068 0.46093302413062 0.85676085737186 15.999 > 1 5 O 0.39286532559068 0.03906697586938 0.39323914262814 15.999 > 5 6 O 0.89286532559068 0.03906697586938 0.39323914262814 15.999 > 5 7 O 0.39286532559068 0.03906697586938 0.89323914262814 15.999 > 5 8 O 0.89286532559068 0.03906697586938 0.89323914262814 15.999 > 5 9 O 0.10713467440932 0.53906697586938 0.10676085737186 15.999 > 9 10 O 0.60713467440932 0.53906697586938 0.10676085737186 15.999 > 9 11 O 0.10713467440932 0.53906697586938 0.60676085737186 15.999 > 9 12 O 0.60713467440932 0.53906697586938 0.60676085737186 15.999 > 9 13 O 0.35713467440932 0.96093302413062 0.14323914262814 15.999 > 13 14 O 0.85713467440932 0.96093302413062 0.14323914262814 15.999 > 13 15 O 0.35713467440932 0.96093302413062 0.64323914262814 15.999 > 13 16 O 0.85713467440932 0.96093302413062 0.64323914262814 15.999 > 13 17 O 0.35713467440932 0.53906697586938 0.14323914262814 15.999 > 17 18 O 0.85713467440932 0.53906697586938 0.14323914262814 15.999 > 17 19 O 0.35713467440932 0.53906697586938 0.64323914262814 15.999 > 17 20 O 0.85713467440932 0.53906697586938 0.64323914262814 15.999 > 17 21 O 0.10713467440932 0.96093302413062 0.10676085737186 15.999 > 21 22 O 0.60713467440932 0.96093302413062 0.10676085737186 15.999 > 21 23 O 0.10713467440932 0.96093302413062 0.60676085737186 15.999 > 21 24 O 0.60713467440932 0.96093302413062 0.60676085737186 15.999 > 21 25 O 0.39286532559068 0.46093302413062 0.39323914262814 15.999 > 25 26 O 0.89286532559068 0.46093302413062 0.39323914262814 15.999 > 25 27 O 0.39286532559068 0.46093302413062 0.89323914262814 15.999 > 25 28 O 0.89286532559068 0.46093302413062 0.89323914262814 15.999 > 25 29 O 0.14286532559068 0.03906697586938 0.35676085737186 15.999 > 29 30 O 0.64286532559068 0.03906697586938 0.35676085737186 15.999 > 29 31 O 0.14286532559068 0.03906697586938 0.85676085737186 15.999 > 29 32 O 0.64286532559068 0.03906697586938 0.85676085737186 15.999 > 29 33 O 0.24107971484734 0.25000000000000 0.03689650711773 15.999 > 33 34 O 0.74107971484734 0.25000000000000 0.03689650711773 15.999 > 33 35 O 0.24107971484734 0.25000000000000 0.53689650711773 15.999 > 33 36 O 0.74107971484734 0.25000000000000 0.53689650711773 15.999 > 33 37 O 0.49107971484734 0.25000000000000 0.21310349288227 15.999 > 37 38 O 0.99107971484734 0.25000000000000 0.21310349288227 15.999 > 37 39 O 0.49107971484734 0.25000000000000 0.71310349288227 15.999 > 37 40 O 0.99107971484734 0.25000000000000 0.71310349288227 15.999 > 37 41 O 0.00892028515266 0.75000000000000 0.28689650711773 15.999 > 41 42 O 0.50892028515266 0.75000000000000 0.28689650711773 15.999 > 41 43 O 0.00892028515266 0.75000000000000 0.78689650711773 15.999 > 41 44 O 0.50892028515266 0.75000000000000 0.78689650711773 15.999 > 41 45 O 0.25892028515266 0.75000000000000 0.46310349288227 15.999 > 45 46 O 0.75892028515266 0.75000000000000 0.46310349288227 15.999 > 45 47 O 0.25892028515266 0.75000000000000 0.96310349288227 15.999 > 45 48 O 0.75892028515266 0.75000000000000 0.96310349288227 15.999 > 45 49 Sr 0.26645128163385 0.25000000000000 0.25366947842456 87.620 > 49 50 Sr 0.76645128163385 0.25000000000000 0.25366947842456 87.620 > 49 51 Sr 0.26645128163385 0.25000000000000 0.75366947842456 87.620 > 49 52 Sr 0.76645128163385 0.25000000000000 0.75366947842456 87.620 > 49 53 Sr 0.01645128163385 0.25000000000000 0.49633052157544 87.620 > 53 54 Sr 0.51645128163385 0.25000000000000 0.49633052157544 87.620 > 53 55 Sr 0.01645128163385 0.25000000000000 0.99633052157544 87.620 > 53 56 Sr 0.51645128163385 0.25000000000000 0.99633052157544 87.620 > 53 57 Sr 0.48354871836615 0.75000000000000 0.00366947842456 87.620 > 57 58 Sr 0.98354871836615 0.75000000000000 0.00366947842456 87.620 > 57 59 Sr 0.48354871836615 0.75000000000000 0.50366947842456 87.620 > 57 60 Sr 0.98354871836615 0.75000000000000 0.50366947842456 87.620 > 57 61 Sr 0.23354871836615 0.75000000000000 0.24633052157544 87.620 > 61 62 Sr 0.73354871836615 0.75000000000000 0.24633052157544 87.620 > 61 63 Sr 0.23354871836615 0.75000000000000 0.74633052157544 87.620 > 61 64 Sr 0.73354871836615 0.75000000000000 0.74633052157544 87.620 > 61 65 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 65 67 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 65 68 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 65 69 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 69 70 Sn 0.50000000000000 0.50000000000000 0.25000000000000 118.710 > 69 71 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 69 72 Sn 0.50000000000000 0.50000000000000 0.75000000000000 118.710 > 69 73 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 73 74 Sn 0.50000000000000 0.00000000000000 0.25000000000000 118.710 > 73 75 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 73 76 Sn 0.50000000000000 0.00000000000000 0.75000000000000 118.710 > 73 77 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 77 78 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 77 79 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 77 80 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5228895 0.0000000 0.0000000 0.0000000 4.4726317 0.0000000 0.0000000 0.0000000 4.4927774 -------------------------- Born effective charges -------------------------- 1 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 2 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 3 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 4 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 5 O -2.4993525 0.0646963 -0.6452454 0.0613466 -1.8202178 -0.0005667 -0.6082481 0.0205061 -2.4312321 6 O -2.4993525 -0.0646963 0.6452454 -0.0613466 -1.8202178 -0.0005667 0.6082481 0.0205061 -2.4312321 7 O -2.4993525 0.0646963 0.6452454 0.0613466 -1.8202178 0.0005667 0.6082481 -0.0205061 -2.4312321 8 O -2.4993525 -0.0646963 -0.6452454 -0.0613466 -1.8202178 0.0005667 -0.6082481 -0.0205061 -2.4312321 9 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 10 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 11 O -1.7447639 0.0000000 0.0888495 0.0000000 -3.0664137 0.0000000 0.0418917 0.0000000 -1.9266827 12 O -1.7447639 0.0000000 -0.0888495 0.0000000 -3.0664137 0.0000000 -0.0418917 0.0000000 -1.9266827 13 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 14 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 15 Sr 2.4936560 0.0000000 0.1635283 0.0000000 2.4690945 0.0000000 0.1252109 0.0000000 2.5582330 16 Sr 2.4936560 0.0000000 -0.1635283 0.0000000 2.4690945 0.0000000 -0.1252109 0.0000000 2.5582330 17 Sn 4.2498130 -0.0222456 0.2507489 -0.0961071 4.2377548 0.3505440 -0.2565688 -0.4434693 4.2309139 18 Sn 4.2498130 0.0222456 -0.2507489 0.0961071 4.2377548 0.3505440 0.2565688 -0.4434693 4.2309139 19 Sn 4.2498130 -0.0222456 -0.2507489 -0.0961071 4.2377548 -0.3505440 0.2565688 0.4434693 4.2309139 20 Sn 4.2498130 0.0222456 0.2507489 0.0961071 4.2377548 -0.3505440 -0.2565688 0.4434693 4.2309139 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) 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 ... [ 9 6 9 ] 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: 0.65, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 0.000) 0.000 17.966 ( 0.000 0.000 0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 18.315 ( 0.000 0.000 0.000) 0.000 18.316 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 0.000 0.000) 0.000 19.914 ( 0.000 0.000 0.000) 0.000 20.816 ( 0.000 0.000 0.000) 0.000 21.351 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 34.612 0.000 0.000) 34.612 0.716 ( 36.573 0.000 0.000) 36.573 1.165 ( 57.755 0.000 0.000) 57.755 2.886 ( 5.250 0.000 0.000) 5.250 3.041 ( 0.502 0.000 0.000) 0.502 3.116 ( -7.065 0.000 0.000) 7.065 3.466 ( -3.275 0.000 0.000) 3.275 3.471 ( -11.967 0.000 0.000) 11.967 3.522 ( -0.964 0.000 0.000) 0.964 3.605 ( 3.329 0.000 0.000) 3.329 3.906 ( 0.232 0.000 0.000) 0.232 4.033 ( -0.535 0.000 0.000) 0.535 4.056 ( -1.709 0.000 0.000) 1.709 4.304 ( -7.537 0.000 0.000) 7.537 4.465 ( -1.292 0.000 0.000) 1.292 4.581 ( 11.929 0.000 0.000) 11.929 4.680 ( 8.323 0.000 0.000) 8.323 4.754 ( -11.505 0.000 0.000) 11.505 4.797 ( 11.571 0.000 0.000) 11.571 4.808 ( 16.972 0.000 0.000) 16.972 5.343 ( 0.022 0.000 0.000) 0.022 6.104 ( -4.467 0.000 0.000) 4.467 6.235 ( 0.115 0.000 0.000) 0.115 6.601 ( -5.519 0.000 0.000) 5.519 6.704 ( 0.822 0.000 0.000) 0.822 6.780 ( 5.995 0.000 0.000) 5.995 6.997 ( 9.226 0.000 0.000) 9.226 7.020 ( 9.144 0.000 0.000) 9.144 7.443 ( -1.617 0.000 0.000) 1.617 7.451 ( -10.173 0.000 0.000) 10.173 7.567 ( 1.560 0.000 0.000) 1.560 7.799 ( -3.685 0.000 0.000) 3.685 7.970 ( 4.925 0.000 0.000) 4.925 8.144 ( 2.981 0.000 0.000) 2.981 9.103 ( -0.095 0.000 0.000) 0.095 9.215 ( -15.662 0.000 0.000) 15.662 9.493 ( -2.793 0.000 0.000) 2.793 9.503 ( -2.353 0.000 0.000) 2.353 9.701 ( 5.111 0.000 0.000) 5.111 9.940 ( 3.968 0.000 0.000) 3.968 10.424 ( 3.654 0.000 0.000) 3.654 10.751 ( 8.341 0.000 0.000) 8.341 10.934 ( -4.708 0.000 0.000) 4.708 11.320 ( -0.590 0.000 0.000) 0.590 11.405 ( -4.168 0.000 0.000) 4.168 11.603 ( -1.995 0.000 0.000) 1.995 12.499 ( 2.394 0.000 0.000) 2.394 13.234 ( -4.013 0.000 0.000) 4.013 14.536 ( 17.303 0.000 0.000) 17.303 14.540 ( 6.607 0.000 0.000) 6.607 14.717 ( 19.624 0.000 0.000) 19.624 17.719 ( -22.545 0.000 0.000) 22.545 18.149 ( -0.218 0.000 0.000) 0.218 18.249 ( -6.649 0.000 0.000) 6.649 18.310 ( -0.477 0.000 0.000) 0.477 18.436 ( -7.124 0.000 0.000) 7.124 20.091 ( 15.995 0.000 0.000) 15.995 20.667 ( 0.878 0.000 0.000) 0.878 20.813 ( -0.313 0.000 0.000) 0.313 21.345 ( -0.618 0.000 0.000) 0.618 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 30.856 0.000 0.000) 30.856 1.405 ( 34.402 0.000 0.000) 34.402 2.142 ( 38.918 0.000 0.000) 38.918 2.985 ( -5.165 0.000 0.000) 5.165 3.000 ( 5.414 0.000 0.000) 5.414 3.092 ( 6.352 0.000 0.000) 6.352 3.207 ( -12.454 0.000 0.000) 12.454 3.391 ( -2.635 0.000 0.000) 2.635 3.473 ( -4.839 0.000 0.000) 4.839 3.695 ( 5.181 0.000 0.000) 5.181 3.791 ( -10.389 0.000 0.000) 10.389 4.075 ( -0.054 0.000 0.000) 0.054 4.101 ( 3.837 0.000 0.000) 3.837 4.123 ( -9.522 0.000 0.000) 9.522 4.470 ( -15.735 0.000 0.000) 15.735 4.493 ( 6.474 0.000 0.000) 6.474 4.756 ( 9.136 0.000 0.000) 9.136 4.909 ( 14.554 0.000 0.000) 14.554 5.076 ( 15.966 0.000 0.000) 15.966 5.251 ( 25.443 0.000 0.000) 25.443 5.363 ( 2.302 0.000 0.000) 2.302 6.035 ( -2.608 0.000 0.000) 2.608 6.242 ( 0.760 0.000 0.000) 0.760 6.427 ( -12.726 0.000 0.000) 12.726 6.707 ( -0.822 0.000 0.000) 0.822 6.877 ( 1.606 0.000 0.000) 1.606 7.119 ( 2.212 0.000 0.000) 2.212 7.219 ( -13.450 0.000 0.000) 13.450 7.267 ( 14.557 0.000 0.000) 14.557 7.433 ( 2.085 0.000 0.000) 2.085 7.616 ( 3.449 0.000 0.000) 3.449 7.731 ( -1.978 0.000 0.000) 1.978 8.042 ( 1.973 0.000 0.000) 1.973 8.238 ( 6.904 0.000 0.000) 6.904 8.889 ( -17.432 0.000 0.000) 17.432 9.106 ( 0.538 0.000 0.000) 0.538 9.396 ( -8.346 0.000 0.000) 8.346 9.419 ( -4.629 0.000 0.000) 4.629 9.856 ( 11.009 0.000 0.000) 11.009 9.990 ( 1.588 0.000 0.000) 1.588 10.544 ( 8.408 0.000 0.000) 8.408 10.783 ( -10.502 0.000 0.000) 10.502 10.962 ( 12.642 0.000 0.000) 12.642 11.283 ( -8.505 0.000 0.000) 8.505 11.318 ( -0.280 0.000 0.000) 0.280 11.555 ( -2.421 0.000 0.000) 2.421 12.560 ( 3.713 0.000 0.000) 3.713 13.127 ( -6.758 0.000 0.000) 6.758 14.731 ( 13.068 0.000 0.000) 13.068 15.009 ( 30.670 0.000 0.000) 30.670 15.237 ( 32.910 0.000 0.000) 32.910 17.185 ( -30.778 0.000 0.000) 30.778 18.014 ( -14.879 0.000 0.000) 14.879 18.179 ( 0.474 0.000 0.000) 0.474 18.225 ( -14.803 0.000 0.000) 14.803 18.297 ( -0.860 0.000 0.000) 0.860 20.441 ( 18.514 0.000 0.000) 18.514 20.690 ( 1.450 0.000 0.000) 1.450 20.804 ( -0.571 0.000 0.000) 0.571 21.324 ( -1.667 0.000 0.000) 1.667 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 26.391 0.000 0.000) 26.391 2.035 ( 30.310 0.000 0.000) 30.310 2.567 ( 9.482 0.000 0.000) 9.482 2.950 ( 1.831 0.000 0.000) 1.831 3.047 ( -1.894 0.000 0.000) 1.894 3.047 ( -3.383 0.000 0.000) 3.383 3.095 ( -8.934 0.000 0.000) 8.934 3.315 ( -11.144 0.000 0.000) 11.144 3.507 ( 2.889 0.000 0.000) 2.889 3.563 ( -12.692 0.000 0.000) 12.692 3.814 ( 10.051 0.000 0.000) 10.051 3.989 ( -3.906 0.000 0.000) 3.906 4.015 ( -4.006 0.000 0.000) 4.006 4.121 ( -1.697 0.000 0.000) 1.697 4.321 ( 8.414 0.000 0.000) 8.414 4.714 ( 14.113 0.000 0.000) 14.113 4.939 ( 8.601 0.000 0.000) 8.601 5.206 ( 15.019 0.000 0.000) 15.019 5.373 ( 13.691 0.000 0.000) 13.691 5.432 ( 4.438 0.000 0.000) 4.438 5.744 ( 24.959 0.000 0.000) 24.959 5.982 ( -3.571 0.000 0.000) 3.571 6.103 ( -20.574 0.000 0.000) 20.574 6.274 ( 2.872 0.000 0.000) 2.872 6.680 ( -1.146 0.000 0.000) 1.146 6.793 ( -9.526 0.000 0.000) 9.526 6.936 ( -15.836 0.000 0.000) 15.836 7.049 ( -8.619 0.000 0.000) 8.619 7.549 ( 13.538 0.000 0.000) 13.538 7.553 ( 9.385 0.000 0.000) 9.385 7.688 ( 3.554 0.000 0.000) 3.554 7.757 ( 4.703 0.000 0.000) 4.703 8.033 ( -3.014 0.000 0.000) 3.014 8.414 ( 11.151 0.000 0.000) 11.151 8.554 ( -17.050 0.000 0.000) 17.050 9.127 ( 1.629 0.000 0.000) 1.629 9.192 ( -12.361 0.000 0.000) 12.361 9.324 ( -4.940 0.000 0.000) 4.940 10.033 ( 3.468 0.000 0.000) 3.468 10.122 ( 16.045 0.000 0.000) 16.045 10.553 ( -12.629 0.000 0.000) 12.629 10.731 ( 10.453 0.000 0.000) 10.453 11.076 ( -12.823 0.000 0.000) 12.823 11.207 ( 11.970 0.000 0.000) 11.970 11.270 ( -5.207 0.000 0.000) 5.207 11.528 ( -0.493 0.000 0.000) 0.493 12.638 ( 4.291 0.000 0.000) 4.291 12.985 ( -7.610 0.000 0.000) 7.610 15.043 ( 19.142 0.000 0.000) 19.142 15.679 ( 37.388 0.000 0.000) 37.388 15.938 ( 38.242 0.000 0.000) 38.242 16.576 ( -31.385 0.000 0.000) 31.385 17.637 ( -23.917 0.000 0.000) 23.917 17.859 ( -23.059 0.000 0.000) 23.059 18.198 ( 1.252 0.000 0.000) 1.252 18.277 ( -1.176 0.000 0.000) 1.176 20.720 ( 1.585 0.000 0.000) 1.585 20.771 ( 15.124 0.000 0.000) 15.124 20.791 ( -0.797 0.000 0.000) 0.797 21.275 ( -3.515 0.000 0.000) 3.515 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 21.703 0.000 0.000) 21.703 2.557 ( 23.010 0.000 0.000) 23.010 2.648 ( -4.597 0.000 0.000) 4.597 2.904 ( -12.754 0.000 0.000) 12.754 2.908 ( -3.834 0.000 0.000) 3.834 3.000 ( -3.660 0.000 0.000) 3.660 3.087 ( 7.327 0.000 0.000) 7.327 3.140 ( 1.201 0.000 0.000) 1.201 3.304 ( -13.655 0.000 0.000) 13.655 3.335 ( -13.380 0.000 0.000) 13.380 3.934 ( 2.098 0.000 0.000) 2.098 3.953 ( -0.659 0.000 0.000) 0.659 3.989 ( 1.734 0.000 0.000) 1.734 4.057 ( -4.271 0.000 0.000) 4.271 4.839 ( 35.381 0.000 0.000) 35.381 4.957 ( 9.417 0.000 0.000) 9.417 5.041 ( 0.964 0.000 0.000) 0.964 5.411 ( -7.066 0.000 0.000) 7.066 5.473 ( -3.261 0.000 0.000) 3.261 5.503 ( 1.665 0.000 0.000) 1.665 5.773 ( -1.737 0.000 0.000) 1.737 5.882 ( -6.715 0.000 0.000) 6.715 6.201 ( 22.021 0.000 0.000) 22.021 6.370 ( 7.192 0.000 0.000) 7.192 6.571 ( -11.779 0.000 0.000) 11.779 6.604 ( -18.395 0.000 0.000) 18.395 6.701 ( 4.187 0.000 0.000) 4.187 6.849 ( -10.375 0.000 0.000) 10.375 7.719 ( 3.653 0.000 0.000) 3.653 7.737 ( 1.140 0.000 0.000) 1.140 7.751 ( 10.265 0.000 0.000) 10.265 7.928 ( -7.646 0.000 0.000) 7.646 7.940 ( 13.809 0.000 0.000) 13.809 8.234 ( -16.024 0.000 0.000) 16.024 8.658 ( 13.789 0.000 0.000) 13.789 8.932 ( -14.152 0.000 0.000) 14.152 9.170 ( 2.811 0.000 0.000) 2.811 9.236 ( -4.050 0.000 0.000) 4.050 10.137 ( 7.430 0.000 0.000) 7.430 10.318 ( -11.115 0.000 0.000) 11.115 10.456 ( 17.896 0.000 0.000) 17.896 10.792 ( -16.383 0.000 0.000) 16.383 10.936 ( 10.527 0.000 0.000) 10.527 11.128 ( -8.990 0.000 0.000) 8.990 11.403 ( 7.880 0.000 0.000) 7.880 11.505 ( -2.773 0.000 0.000) 2.773 12.729 ( 5.217 0.000 0.000) 5.217 12.844 ( -6.726 0.000 0.000) 6.726 15.467 ( 24.518 0.000 0.000) 24.518 15.983 ( -28.383 0.000 0.000) 28.383 16.419 ( 36.884 0.000 0.000) 36.884 16.673 ( 36.858 0.000 0.000) 36.858 17.094 ( -31.994 0.000 0.000) 31.994 17.335 ( -31.011 0.000 0.000) 31.011 18.225 ( 1.419 0.000 0.000) 1.419 18.252 ( -1.376 0.000 0.000) 1.376 20.750 ( 1.383 0.000 0.000) 1.383 20.773 ( -1.067 0.000 0.000) 1.067 21.019 ( 10.506 0.000 0.000) 10.506 21.181 ( -6.447 0.000 0.000) 6.447 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 34.568 0.000) 34.568 0.748 ( 0.000 35.532 0.000) 35.532 1.316 ( 0.000 62.473 0.000) 62.473 2.769 ( 0.000 -7.011 0.000) 7.011 2.902 ( 0.000 -12.357 0.000) 12.357 3.259 ( 0.000 5.705 0.000) 5.705 3.394 ( 0.000 -0.071 0.000) 0.071 3.429 ( 0.000 -5.705 0.000) 5.705 3.492 ( 0.000 -5.325 0.000) 5.325 3.738 ( 0.000 4.542 0.000) 4.542 3.939 ( 0.000 2.643 0.000) 2.643 4.038 ( 0.000 -5.110 0.000) 5.110 4.152 ( 0.000 -6.296 0.000) 6.296 4.385 ( 0.000 0.511 0.000) 0.511 4.502 ( 0.000 -5.719 0.000) 5.719 4.586 ( 0.000 -1.691 0.000) 1.691 4.712 ( 0.000 19.602 0.000) 19.602 4.730 ( 0.000 5.327 0.000) 5.327 4.818 ( 0.000 5.549 0.000) 5.549 4.830 ( 0.000 16.731 0.000) 16.731 5.306 ( 0.000 -3.692 0.000) 3.692 5.899 ( 0.000 -14.531 0.000) 14.531 6.291 ( 0.000 5.197 0.000) 5.197 6.529 ( 0.000 -11.722 0.000) 11.722 6.660 ( 0.000 -3.361 0.000) 3.361 6.679 ( 0.000 2.042 0.000) 2.042 6.885 ( 0.000 0.399 0.000) 0.399 7.392 ( 0.000 -14.947 0.000) 14.947 7.405 ( 0.000 2.275 0.000) 2.275 7.589 ( 0.000 1.989 0.000) 1.989 7.752 ( 0.000 -4.426 0.000) 4.426 7.877 ( 0.000 -2.519 0.000) 2.519 7.939 ( 0.000 -1.644 0.000) 1.644 7.980 ( 0.000 -2.195 0.000) 2.195 8.225 ( 0.000 9.138 0.000) 9.138 9.106 ( 0.000 -1.003 0.000) 1.003 9.432 ( 0.000 -2.289 0.000) 2.289 9.439 ( 0.000 -1.444 0.000) 1.444 9.550 ( 0.000 2.828 0.000) 2.828 9.888 ( 0.000 0.334 0.000) 0.334 10.380 ( 0.000 -0.743 0.000) 0.743 10.645 ( 0.000 -2.079 0.000) 2.079 11.116 ( 0.000 3.443 0.000) 3.443 11.527 ( 0.000 7.578 0.000) 7.578 11.589 ( 0.000 -3.196 0.000) 3.196 12.412 ( 0.000 -5.934 0.000) 5.934 12.466 ( 0.000 2.803 0.000) 2.803 12.934 ( 0.000 -4.490 0.000) 4.490 14.376 ( 0.000 1.001 0.000) 1.001 14.510 ( 0.000 -0.973 0.000) 0.973 14.707 ( 0.000 21.780 0.000) 21.780 17.840 ( 0.000 -28.386 0.000) 28.386 17.960 ( 0.000 0.024 0.000) 0.024 17.965 ( 0.000 -0.049 0.000) 0.049 18.316 ( 0.000 0.708 0.000) 0.708 18.486 ( 0.000 -1.634 0.000) 1.634 19.982 ( 0.000 6.382 0.000) 6.382 20.754 ( 0.000 -5.072 0.000) 5.072 20.945 ( 0.000 10.641 0.000) 10.641 21.363 ( 0.000 0.938 0.000) 0.938 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 22.590 24.027 0.000) 32.979 1.003 ( 21.879 24.826 0.000) 33.091 1.759 ( 38.901 45.923 0.000) 60.185 2.807 ( 3.125 -7.898 0.000) 8.494 2.900 ( 0.028 -11.627 0.000) 11.627 3.175 ( -7.076 5.140 0.000) 8.746 3.356 ( -5.190 -3.905 0.000) 6.495 3.424 ( -0.978 -5.994 0.000) 6.073 3.503 ( 0.699 -3.092 0.000) 3.170 3.616 ( -5.102 4.086 0.000) 6.537 3.933 ( -3.950 -0.425 0.000) 3.973 3.996 ( -1.630 -5.769 0.000) 5.995 4.291 ( -2.410 -4.418 0.000) 5.033 4.335 ( -3.489 4.555 0.000) 5.737 4.436 ( -1.874 5.270 0.000) 5.594 4.639 ( 3.198 3.262 0.000) 4.569 4.752 ( 1.364 1.870 0.000) 2.314 4.758 ( 4.873 18.026 0.000) 18.673 4.784 ( 10.758 -0.932 0.000) 10.798 4.918 ( 9.988 12.221 0.000) 15.783 5.308 ( 0.679 -3.253 0.000) 3.323 5.927 ( 0.455 -14.504 0.000) 14.512 6.275 ( -1.182 3.391 0.000) 3.591 6.512 ( -2.827 -9.026 0.000) 9.458 6.667 ( 0.864 -2.872 0.000) 3.000 6.706 ( 3.965 -0.308 0.000) 3.977 6.958 ( 6.493 -3.368 0.000) 7.315 7.373 ( -3.766 -11.231 0.000) 11.845 7.412 ( 5.863 14.376 0.000) 15.526 7.498 ( -7.262 8.550 0.000) 11.217 7.530 ( -3.136 0.263 0.000) 3.147 7.793 ( -4.456 0.078 0.000) 4.457 7.912 ( 2.325 -5.044 0.000) 5.554 8.181 ( 3.314 3.525 0.000) 4.839 8.891 ( 30.475 -28.612 0.000) 41.801 9.152 ( 8.713 -5.599 0.000) 10.357 9.226 ( -13.977 0.887 0.000) 14.005 9.446 ( -3.940 -3.694 0.000) 5.401 9.549 ( -0.536 3.886 0.000) 3.923 9.959 ( 5.047 1.329 0.000) 5.219 10.394 ( 2.052 -2.263 0.000) 3.055 10.706 ( 5.780 -3.931 0.000) 6.990 11.031 ( -8.070 4.428 0.000) 9.205 11.504 ( -2.259 8.867 0.000) 9.150 11.561 ( -3.187 -3.269 0.000) 4.565 11.973 ( -24.051 29.048 0.000) 37.713 12.436 ( 2.345 -5.991 0.000) 6.434 13.073 ( 1.925 -11.457 0.000) 11.617 14.548 ( 17.448 1.165 0.000) 17.487 14.705 ( 19.455 -1.144 0.000) 19.488 14.765 ( 5.993 21.238 0.000) 22.067 17.728 ( -21.677 0.920 0.000) 21.696 17.848 ( 0.820 -28.149 0.000) 28.161 18.021 ( 2.591 -12.975 0.000) 13.231 18.245 ( -7.387 0.753 0.000) 7.425 18.418 ( -7.127 -1.637 0.000) 7.313 20.153 ( 15.502 5.835 0.000) 16.564 20.774 ( 1.541 1.734 0.000) 2.320 20.941 ( -0.331 10.627 0.000) 10.632 21.357 ( -0.593 0.958 0.000) 1.127 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 25.574 13.151 0.000) 28.757 1.478 ( 25.659 10.036 0.000) 27.552 2.508 ( 28.464 27.521 0.000) 39.593 2.836 ( -1.175 -9.752 0.000) 9.822 2.971 ( 12.314 -5.818 0.000) 13.619 3.073 ( -1.862 2.867 0.000) 3.418 3.176 ( -11.408 -3.752 0.000) 12.009 3.357 ( -6.919 -7.547 0.000) 10.238 3.473 ( -1.915 4.958 0.000) 5.315 3.640 ( 5.028 -4.989 0.000) 7.084 3.772 ( -10.372 -2.768 0.000) 10.735 3.952 ( -4.584 -9.093 0.000) 10.183 4.067 ( -15.357 -9.183 0.000) 17.894 4.331 ( 2.843 15.185 0.000) 15.449 4.475 ( 4.257 9.970 0.000) 10.841 4.658 ( 1.471 12.426 0.000) 12.512 4.802 ( 5.552 2.584 0.000) 6.124 4.953 ( 13.985 5.557 0.000) 15.048 5.169 ( 14.320 9.261 0.000) 17.053 5.170 ( 21.254 -7.259 0.000) 22.460 5.365 ( 7.186 -0.992 0.000) 7.254 5.919 ( -0.722 -10.718 0.000) 10.743 6.262 ( 0.041 1.601 0.000) 1.602 6.395 ( -9.401 -3.185 0.000) 9.926 6.678 ( -0.169 -2.417 0.000) 2.423 6.811 ( 4.905 -2.531 0.000) 5.519 7.073 ( 3.448 -4.968 0.000) 6.048 7.201 ( -12.680 -2.665 0.000) 12.957 7.384 ( -4.663 4.376 0.000) 6.395 7.540 ( 2.831 -6.336 0.000) 6.940 7.627 ( 13.670 17.051 0.000) 21.854 7.699 ( -3.986 -0.133 0.000) 3.988 7.931 ( -0.821 -9.422 0.000) 9.458 8.280 ( 7.321 4.021 0.000) 8.352 8.936 ( -15.259 3.808 0.000) 15.727 9.083 ( 2.490 -3.594 0.000) 4.372 9.333 ( -7.203 -4.153 0.000) 8.314 9.513 ( -3.379 6.940 0.000) 7.718 9.538 ( 21.561 -21.755 0.000) 30.629 10.024 ( 1.835 3.367 0.000) 3.835 10.483 ( 7.117 -5.644 0.000) 9.084 10.828 ( 5.313 -9.385 0.000) 10.784 10.835 ( -11.594 4.687 0.000) 12.505 11.454 ( -7.606 -1.083 0.000) 7.682 11.456 ( -1.966 13.022 0.000) 13.170 11.713 ( -5.486 21.004 0.000) 21.709 12.496 ( 3.682 -6.082 0.000) 7.110 13.026 ( -5.223 -9.012 0.000) 10.416 14.938 ( 11.870 19.627 0.000) 22.937 15.024 ( 30.767 1.423 0.000) 30.800 15.222 ( 32.705 -1.498 0.000) 32.740 17.217 ( -29.334 3.072 0.000) 29.494 17.871 ( 1.480 -27.538 0.000) 27.578 18.027 ( -15.317 0.966 0.000) 15.348 18.040 ( -0.292 -18.876 0.000) 18.878 18.207 ( -14.810 -1.649 0.000) 14.901 20.493 ( 17.932 4.817 0.000) 18.568 20.806 ( 1.746 6.875 0.000) 7.093 20.932 ( -0.613 10.573 0.000) 10.591 21.337 ( -1.583 1.050 0.000) 1.900 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 22.193 5.425 0.000) 22.846 1.954 ( 22.637 -1.982 0.000) 22.723 2.753 ( 5.871 8.349 0.000) 10.206 2.812 ( 0.703 -11.566 0.000) 11.588 2.962 ( -8.456 -5.404 0.000) 10.036 3.034 ( -6.734 -2.237 0.000) 7.096 3.183 ( -7.366 -7.325 0.000) 10.388 3.209 ( 0.520 10.709 0.000) 10.722 3.443 ( -10.070 -11.562 0.000) 15.332 3.556 ( -11.942 -0.644 0.000) 11.959 3.734 ( 3.656 -3.952 0.000) 5.384 3.867 ( -3.357 -7.709 0.000) 8.408 4.017 ( 19.682 2.734 0.000) 19.871 4.348 ( -1.478 22.502 0.000) 22.550 4.568 ( 7.389 14.628 0.000) 16.388 4.785 ( 10.854 6.025 0.000) 12.414 4.944 ( 7.669 0.302 0.000) 7.675 5.242 ( 14.606 3.181 0.000) 14.948 5.406 ( 6.921 -2.144 0.000) 7.245 5.427 ( 11.420 5.269 0.000) 12.576 5.715 ( 23.794 -3.796 0.000) 24.095 5.899 ( -1.510 -7.641 0.000) 7.789 6.121 ( -17.772 2.056 0.000) 17.891 6.305 ( 3.330 2.582 0.000) 4.214 6.666 ( -0.388 -1.390 0.000) 1.444 6.808 ( -6.233 1.223 0.000) 6.352 6.918 ( -16.178 -1.815 0.000) 16.279 7.035 ( -7.214 -1.660 0.000) 7.403 7.368 ( 3.608 -5.191 0.000) 6.322 7.592 ( 1.718 -8.784 0.000) 8.950 7.664 ( 1.172 -5.973 0.000) 6.087 7.878 ( -4.296 -12.037 0.000) 12.781 7.899 ( 13.347 18.838 0.000) 23.087 8.472 ( 12.345 5.408 0.000) 13.478 8.650 ( -14.175 7.083 0.000) 15.847 9.129 ( 2.725 -0.712 0.000) 2.817 9.178 ( -8.786 -1.951 0.000) 8.999 9.418 ( -6.160 8.860 0.000) 10.791 9.930 ( 19.556 -16.018 0.000) 25.279 10.065 ( 3.303 3.602 0.000) 4.888 10.596 ( -12.784 4.584 0.000) 13.581 10.641 ( 7.597 -9.131 0.000) 11.878 10.856 ( -2.347 -11.550 0.000) 11.786 11.291 ( -9.064 -1.753 0.000) 9.232 11.465 ( 3.340 15.660 0.000) 16.012 11.663 ( -1.215 13.853 0.000) 13.906 12.574 ( 4.275 -6.128 0.000) 7.472 12.904 ( -6.908 -7.589 0.000) 10.262 15.222 ( 17.441 17.028 0.000) 24.374 15.695 ( 37.401 1.513 0.000) 37.432 15.917 ( 37.886 -1.885 0.000) 37.933 16.642 ( -29.263 6.315 0.000) 29.937 17.647 ( -23.858 0.724 0.000) 23.869 17.841 ( -23.061 -1.668 0.000) 23.121 17.906 ( 1.954 -25.997 0.000) 26.071 18.021 ( -1.485 -21.269 0.000) 21.321 20.810 ( 14.321 3.731 0.000) 14.799 20.841 ( 1.964 8.800 0.000) 9.016 20.918 ( -0.867 10.445 0.000) 10.481 21.291 ( -3.321 1.299 0.000) 3.566 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 14.305 -4.117 0.000) 14.886 2.318 ( 13.263 -10.959 0.000) 17.204 2.762 ( -6.048 1.317 0.000) 6.190 2.798 ( -10.240 -4.687 0.000) 11.261 2.913 ( 6.940 -13.696 0.000) 15.353 2.935 ( 6.672 0.782 0.000) 6.717 3.084 ( -5.843 -1.035 0.000) 5.934 3.135 ( -12.105 -11.345 0.000) 16.591 3.215 ( -0.430 4.060 0.000) 4.083 3.333 ( -10.096 2.572 0.000) 10.419 3.782 ( 1.701 -5.083 0.000) 5.361 3.816 ( -2.095 -5.593 0.000) 5.973 4.302 ( 3.985 15.712 0.000) 16.210 4.323 ( -0.516 21.134 0.000) 21.140 4.960 ( 30.921 10.263 0.000) 32.580 4.984 ( 7.672 2.253 0.000) 7.996 5.045 ( 2.431 0.526 0.000) 2.487 5.464 ( 5.927 2.888 0.000) 6.593 5.504 ( -12.435 4.785 0.000) 13.324 5.506 ( 2.614 0.552 0.000) 2.672 5.783 ( -6.682 1.275 0.000) 6.802 5.835 ( -4.514 -4.132 0.000) 6.120 6.173 ( 22.196 -3.573 0.000) 22.482 6.414 ( 7.349 3.754 0.000) 8.253 6.582 ( -18.051 -2.185 0.000) 18.183 6.620 ( -11.173 4.090 0.000) 11.898 6.699 ( 4.617 -0.304 0.000) 4.627 6.850 ( -10.130 -0.040 0.000) 10.130 7.479 ( 6.502 -12.302 0.000) 13.914 7.581 ( -3.206 -12.946 0.000) 13.337 7.715 ( 3.406 -7.313 0.000) 8.067 7.788 ( -4.375 -9.549 0.000) 10.503 8.146 ( 12.401 14.559 0.000) 19.125 8.389 ( -12.932 10.520 0.000) 16.670 8.734 ( 13.954 6.633 0.000) 15.450 8.984 ( -11.520 3.452 0.000) 12.026 9.195 ( 4.146 1.683 0.000) 4.475 9.294 ( -6.116 5.804 0.000) 8.432 10.171 ( 7.693 3.876 0.000) 8.614 10.297 ( 17.911 -13.932 0.000) 22.691 10.358 ( -11.302 4.415 0.000) 12.133 10.601 ( -12.169 -14.932 0.000) 19.263 10.911 ( 9.114 -4.128 0.000) 10.005 11.105 ( -10.088 -3.447 0.000) 10.661 11.557 ( 4.996 12.928 0.000) 13.860 11.631 ( -2.552 11.760 0.000) 12.034 12.663 ( 5.086 -6.253 0.000) 8.060 12.774 ( -6.341 -6.707 0.000) 9.229 15.609 ( 22.456 13.615 0.000) 26.261 16.083 ( -25.792 9.508 0.000) 27.488 16.433 ( 36.706 1.330 0.000) 36.730 16.658 ( 36.434 -1.374 0.000) 36.460 17.106 ( -31.882 1.074 0.000) 31.901 17.317 ( -30.984 -1.657 0.000) 31.028 17.946 ( 2.149 -24.694 0.000) 24.787 17.986 ( -2.008 -23.079 0.000) 23.167 20.872 ( 1.515 9.732 0.000) 9.849 20.898 ( -1.167 10.195 0.000) 10.262 21.048 ( 9.994 2.619 0.000) 10.332 21.202 ( -6.098 1.803 0.000) 6.359 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 31.756 0.000) 31.756 1.449 ( 0.000 32.236 0.000) 32.236 2.501 ( 0.000 -18.944 0.000) 18.944 2.533 ( 0.000 40.250 0.000) 40.250 2.563 ( 0.000 -5.889 0.000) 5.889 3.383 ( 0.000 -1.103 0.000) 1.103 3.399 ( 0.000 2.918 0.000) 2.918 3.405 ( 0.000 7.393 0.000) 7.393 3.406 ( 0.000 -2.227 0.000) 2.227 3.835 ( 0.000 5.020 0.000) 5.020 3.904 ( 0.000 -6.879 0.000) 6.879 3.927 ( 0.000 -3.819 0.000) 3.819 4.000 ( 0.000 -8.921 0.000) 8.921 4.272 ( 0.000 -17.165 0.000) 17.165 4.404 ( 0.000 1.986 0.000) 1.986 4.536 ( 0.000 -3.069 0.000) 3.069 4.860 ( 0.000 6.576 0.000) 6.576 4.938 ( 0.000 5.276 0.000) 5.276 5.167 ( 0.000 24.104 0.000) 24.104 5.214 ( 0.000 -4.293 0.000) 4.293 5.387 ( 0.000 34.121 0.000) 34.121 5.521 ( 0.000 -19.323 0.000) 19.323 6.182 ( 0.000 -21.329 0.000) 21.329 6.431 ( 0.000 7.928 0.000) 7.928 6.534 ( 0.000 -10.450 0.000) 10.450 6.740 ( 0.000 3.697 0.000) 3.697 6.876 ( 0.000 -1.615 0.000) 1.615 6.981 ( 0.000 -22.779 0.000) 22.779 7.468 ( 0.000 3.656 0.000) 3.656 7.646 ( 0.000 3.362 0.000) 3.362 7.647 ( 0.000 -5.138 0.000) 5.138 7.806 ( 0.000 -4.022 0.000) 4.022 7.919 ( 0.000 -0.365 0.000) 0.365 7.942 ( 0.000 -1.431 0.000) 1.431 8.472 ( 0.000 14.294 0.000) 14.294 9.017 ( 0.000 -8.164 0.000) 8.164 9.385 ( 0.000 -1.715 0.000) 1.715 9.403 ( 0.000 -1.866 0.000) 1.866 9.636 ( 0.000 5.344 0.000) 5.344 9.864 ( 0.000 -3.276 0.000) 3.276 10.396 ( 0.000 2.774 0.000) 2.774 10.581 ( 0.000 -4.077 0.000) 4.077 11.219 ( 0.000 6.327 0.000) 6.327 11.496 ( 0.000 -5.733 0.000) 5.733 11.735 ( 0.000 11.952 0.000) 11.952 12.240 ( 0.000 -10.526 0.000) 10.526 12.548 ( 0.000 5.104 0.000) 5.104 12.813 ( 0.000 -6.787 0.000) 6.787 14.405 ( 0.000 1.724 0.000) 1.724 14.482 ( 0.000 -1.695 0.000) 1.695 15.328 ( 0.000 37.169 0.000) 37.169 17.088 ( 0.000 -42.209 0.000) 42.209 17.961 ( 0.000 0.050 0.000) 0.050 17.964 ( 0.000 -0.074 0.000) 0.074 18.343 ( 0.000 1.854 0.000) 1.854 18.442 ( 0.000 -2.512 0.000) 2.512 20.161 ( 0.000 10.449 0.000) 10.449 20.605 ( 0.000 -9.161 0.000) 9.161 21.171 ( 0.000 9.918 0.000) 9.918 21.373 ( 0.000 -0.451 0.000) 0.451 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 11.905 27.818 0.000) 30.258 1.577 ( 11.217 28.608 0.000) 30.728 2.540 ( 3.386 -18.032 0.000) 18.347 2.579 ( 2.214 -16.368 0.000) 16.517 2.772 ( 22.359 45.105 0.000) 50.343 3.293 ( -9.168 5.349 0.000) 10.614 3.306 ( -7.161 -1.268 0.000) 7.273 3.378 ( -3.713 1.837 0.000) 4.143 3.419 ( 1.007 -2.962 0.000) 3.129 3.717 ( -6.333 4.719 0.000) 7.898 3.830 ( -6.857 -6.412 0.000) 9.388 3.897 ( -3.390 -4.924 0.000) 5.978 4.065 ( -3.297 -9.368 0.000) 9.931 4.393 ( 14.701 -15.739 0.000) 21.537 4.438 ( 4.222 4.897 0.000) 6.466 4.611 ( 7.278 -3.043 0.000) 7.889 4.823 ( -2.150 4.213 0.000) 4.730 4.890 ( -2.119 8.108 0.000) 8.380 5.229 ( 2.319 -3.019 0.000) 3.807 5.255 ( 8.030 21.176 0.000) 22.648 5.345 ( -3.719 30.927 0.000) 31.150 5.573 ( 4.058 -17.436 0.000) 17.902 6.219 ( 3.167 -15.529 0.000) 15.849 6.355 ( -4.346 -0.679 0.000) 4.398 6.603 ( 3.686 -2.393 0.000) 4.394 6.737 ( 1.199 2.694 0.000) 2.948 6.880 ( 2.109 -3.832 0.000) 4.374 7.014 ( 2.732 -21.067 0.000) 21.244 7.533 ( 2.365 4.156 0.000) 4.782 7.580 ( -6.009 3.725 0.000) 7.070 7.655 ( 0.906 0.508 0.000) 1.039 7.790 ( -2.102 -6.176 0.000) 6.524 7.877 ( 2.362 8.173 0.000) 8.507 8.214 ( 14.768 -4.534 0.000) 15.449 8.581 ( 13.929 1.736 0.000) 14.037 9.035 ( 2.097 -8.699 0.000) 8.948 9.248 ( -10.682 1.329 0.000) 10.764 9.359 ( -5.461 -4.209 0.000) 6.894 9.663 ( 2.201 6.974 0.000) 7.313 9.949 ( 7.184 -3.476 0.000) 7.981 10.382 ( -1.323 2.184 0.000) 2.553 10.604 ( 1.931 -5.787 0.000) 6.100 11.150 ( -6.775 7.143 0.000) 9.845 11.460 ( -3.740 -6.315 0.000) 7.339 11.736 ( 0.231 12.913 0.000) 12.915 12.261 ( 2.151 -10.698 0.000) 10.913 12.376 ( -13.050 13.644 0.000) 18.880 12.840 ( 0.003 -10.965 0.000) 10.965 14.582 ( 17.861 1.990 0.000) 17.972 14.672 ( 19.008 -1.980 0.000) 19.111 15.372 ( 4.527 36.395 0.000) 36.675 17.103 ( 1.588 -41.712 0.000) 41.743 17.755 ( -19.230 1.612 0.000) 19.297 17.860 ( -8.753 -4.458 0.000) 9.823 18.274 ( -7.275 1.900 0.000) 7.518 18.373 ( -7.146 -2.527 0.000) 7.580 20.317 ( 14.151 9.558 0.000) 17.077 20.707 ( 8.504 -6.956 0.000) 10.987 21.168 ( -0.373 9.896 0.000) 9.903 21.368 ( -0.527 -0.418 0.000) 0.673 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 15.664 19.546 0.000) 25.048 1.819 ( 12.935 21.060 0.000) 24.715 2.586 ( 0.120 -14.779 0.000) 14.780 2.629 ( 3.457 -12.789 0.000) 13.248 3.106 ( -12.168 -2.074 0.000) 12.344 3.119 ( -6.945 1.708 0.000) 7.152 3.209 ( 8.667 7.116 0.000) 11.214 3.237 ( -11.024 -3.956 0.000) 11.712 3.492 ( 8.679 13.229 0.000) 15.822 3.657 ( 3.841 5.945 0.000) 7.078 3.689 ( -6.689 -3.367 0.000) 7.489 3.797 ( -6.304 -5.899 0.000) 8.634 3.924 ( -4.399 -0.741 0.000) 4.461 4.577 ( 9.589 8.630 0.000) 12.900 4.687 ( 10.673 1.849 0.000) 10.832 4.781 ( 8.733 -0.770 0.000) 8.767 4.855 ( 3.168 2.383 0.000) 3.965 4.963 ( 14.889 -10.356 0.000) 18.136 5.287 ( -0.613 23.069 0.000) 23.077 5.327 ( 7.999 -0.735 0.000) 8.033 5.424 ( 8.310 13.953 0.000) 16.240 5.650 ( 3.818 -13.356 0.000) 13.891 6.268 ( 1.173 -3.442 0.000) 3.636 6.311 ( -0.044 -2.699 0.000) 2.700 6.638 ( -0.068 -0.392 0.000) 0.398 6.802 ( 4.445 1.307 0.000) 4.633 6.954 ( 4.078 -5.723 0.000) 7.027 7.027 ( -3.631 -14.764 0.000) 15.204 7.460 ( -4.890 0.467 0.000) 4.912 7.462 ( -7.016 3.737 0.000) 7.950 7.614 ( -5.382 -3.563 0.000) 6.455 7.717 ( -5.188 -10.164 0.000) 11.412 8.087 ( 15.586 20.742 0.000) 25.945 8.395 ( 7.690 6.442 0.000) 10.032 8.927 ( 13.512 -9.801 0.000) 16.692 9.021 ( -12.001 4.289 0.000) 12.744 9.155 ( 14.235 -15.544 0.000) 21.077 9.229 ( -7.306 -5.626 0.000) 9.221 9.699 ( 0.924 10.837 0.000) 10.876 10.088 ( 6.191 -0.377 0.000) 6.203 10.363 ( 0.168 -2.729 0.000) 2.734 10.633 ( 0.595 -9.373 0.000) 9.392 10.976 ( -10.765 8.702 0.000) 13.842 11.351 ( -7.427 -7.366 0.000) 10.460 11.751 ( 1.512 15.017 0.000) 15.093 12.150 ( -9.418 19.107 0.000) 21.302 12.318 ( 3.517 -11.013 0.000) 11.561 12.791 ( -4.504 -13.126 0.000) 13.877 15.065 ( 31.081 2.476 0.000) 31.180 15.179 ( 32.193 -2.549 0.000) 32.294 15.503 ( 8.958 34.060 0.000) 35.218 17.148 ( 2.971 -40.210 0.000) 40.320 17.309 ( -25.048 5.817 0.000) 25.714 17.690 ( -8.207 -13.980 0.000) 16.211 18.059 ( -15.073 2.026 0.000) 15.208 18.162 ( -14.846 -2.571 0.000) 15.067 20.625 ( 16.095 7.503 0.000) 17.758 20.867 ( 7.259 -1.279 0.000) 7.370 21.157 ( -0.766 9.779 0.000) 9.809 21.351 ( -1.351 -0.259 0.000) 1.376 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 10.530 11.365 0.000) 15.494 2.089 ( 11.177 9.164 0.000) 14.454 2.547 ( -2.414 -12.883 0.000) 13.107 2.723 ( 5.722 -10.814 0.000) 12.234 2.878 ( -9.482 -2.092 0.000) 9.710 2.977 ( -11.362 -1.880 0.000) 11.517 3.066 ( -14.894 -16.675 0.000) 22.358 3.070 ( -1.847 -4.593 0.000) 4.951 3.487 ( -4.583 11.606 0.000) 12.478 3.549 ( -8.390 0.418 0.000) 8.400 3.703 ( -2.563 -7.272 0.000) 7.710 3.724 ( -1.030 -0.697 0.000) 1.244 4.302 ( 32.024 23.721 0.000) 39.852 4.745 ( 4.908 13.199 0.000) 14.082 4.826 ( 8.153 9.132 0.000) 12.242 4.910 ( 5.993 4.190 0.000) 7.312 4.946 ( 5.654 -0.188 0.000) 5.657 5.339 ( 17.342 -7.474 0.000) 18.884 5.368 ( 8.327 10.146 0.000) 13.125 5.554 ( 5.159 5.232 0.000) 7.348 5.556 ( 17.418 -8.782 0.000) 19.507 5.717 ( 2.863 -8.363 0.000) 8.840 6.204 ( -10.132 6.424 0.000) 11.997 6.361 ( 5.450 2.392 0.000) 5.952 6.626 ( 0.124 -2.112 0.000) 2.116 6.834 ( -15.282 -7.668 0.000) 17.098 6.841 ( -2.199 2.120 0.000) 3.055 6.975 ( -3.173 -3.762 0.000) 4.921 7.335 ( -4.452 1.514 0.000) 4.702 7.403 ( -2.383 -6.300 0.000) 6.736 7.524 ( -2.383 -6.646 0.000) 7.060 7.620 ( -3.816 -12.094 0.000) 12.682 8.321 ( 7.996 20.296 0.000) 21.814 8.614 ( 14.312 7.298 0.000) 16.065 8.799 ( -10.795 7.241 0.000) 12.999 9.079 ( 6.738 -3.046 0.000) 7.395 9.095 ( -6.331 -6.007 0.000) 8.727 9.545 ( 21.805 -20.224 0.000) 29.740 9.668 ( -4.953 14.682 0.000) 15.495 10.182 ( 4.720 5.859 0.000) 7.524 10.381 ( -0.881 -13.092 0.000) 13.122 10.642 ( 2.292 -10.059 0.000) 10.317 10.749 ( -12.290 9.952 0.000) 15.815 11.180 ( -10.052 -8.213 0.000) 12.981 11.798 ( 3.230 16.282 0.000) 16.600 12.015 ( -4.953 18.301 0.000) 18.959 12.392 ( 4.139 -11.253 0.000) 11.990 12.687 ( -5.890 -13.123 0.000) 14.385 15.717 ( 13.180 30.165 0.000) 32.918 15.739 ( 37.386 2.661 0.000) 37.481 15.866 ( 37.450 -2.990 0.000) 37.569 16.831 ( -23.628 11.952 0.000) 26.479 17.214 ( 3.649 -37.433 0.000) 37.610 17.547 ( -6.682 -22.533 0.000) 23.502 17.689 ( -23.002 1.978 0.000) 23.087 17.795 ( -23.098 -2.632 0.000) 23.247 20.906 ( 12.593 5.007 0.000) 13.552 20.982 ( 4.844 3.737 0.000) 6.118 21.137 ( -1.257 9.418 0.000) 9.501 21.312 ( -2.766 0.188 0.000) 2.772 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 4.392 0.301 0.000) 4.402 2.220 ( 2.504 -1.890 0.000) 3.138 2.551 ( 3.427 -16.321 0.000) 16.677 2.692 ( -9.481 -17.336 0.000) 19.759 2.798 ( -2.199 -2.282 0.000) 3.169 2.819 ( -4.100 3.279 0.000) 5.250 2.918 ( 4.988 -3.642 0.000) 6.177 3.026 ( -4.144 -4.449 0.000) 6.080 3.402 ( -3.110 9.249 0.000) 9.758 3.409 ( -4.458 4.854 0.000) 6.590 3.685 ( 0.257 -7.242 0.000) 7.246 3.702 ( -1.201 -4.474 0.000) 4.633 4.672 ( 6.708 18.417 0.000) 19.601 4.748 ( -2.528 17.622 0.000) 17.803 5.025 ( 3.914 0.940 0.000) 4.025 5.033 ( 2.667 -1.257 0.000) 2.949 5.228 ( 31.019 14.576 0.000) 34.272 5.522 ( 5.289 3.882 0.000) 6.561 5.537 ( 4.514 2.697 0.000) 5.258 5.628 ( 0.744 3.852 0.000) 3.923 5.732 ( -0.527 -5.507 0.000) 5.533 5.862 ( -22.385 8.445 0.000) 23.925 6.004 ( 24.775 -13.652 0.000) 28.288 6.435 ( -13.241 -7.405 0.000) 15.171 6.545 ( 0.908 2.389 0.000) 2.556 6.680 ( 5.802 -1.770 0.000) 6.066 6.711 ( -9.632 4.351 0.000) 10.569 6.838 ( -9.359 -1.381 0.000) 9.460 7.310 ( 0.974 -2.877 0.000) 3.037 7.348 ( -2.747 -6.377 0.000) 6.944 7.530 ( 2.097 -9.529 0.000) 9.757 7.572 ( -1.956 -11.028 0.000) 11.200 8.456 ( 7.013 14.919 0.000) 16.485 8.608 ( -8.884 10.678 0.000) 13.890 8.851 ( 8.964 1.252 0.000) 9.051 8.982 ( -5.628 -4.580 0.000) 7.257 9.259 ( 12.030 7.291 0.000) 14.067 9.502 ( -11.616 14.333 0.000) 18.449 9.941 ( 18.610 -19.476 0.000) 26.937 10.244 ( -11.569 -18.736 0.000) 22.020 10.315 ( 8.069 9.703 0.000) 12.620 10.514 ( -11.660 10.393 0.000) 15.619 10.768 ( 9.629 -9.325 0.000) 13.404 10.973 ( -11.004 -8.976 0.000) 14.200 11.868 ( 3.741 16.254 0.000) 16.679 11.937 ( -3.538 16.648 0.000) 17.020 12.477 ( 4.675 -11.593 0.000) 12.501 12.575 ( -5.474 -12.308 0.000) 13.471 16.010 ( 17.028 24.753 0.000) 30.044 16.355 ( -13.551 15.471 0.000) 20.566 16.471 ( 35.277 2.342 0.000) 35.354 16.632 ( 30.906 0.083 0.000) 30.906 17.118 ( -27.535 -3.140 0.000) 27.713 17.271 ( -30.868 -2.626 0.000) 30.979 17.341 ( 1.103 -28.435 0.000) 28.457 17.428 ( -5.648 -28.686 0.000) 29.237 21.058 ( 3.155 6.857 0.000) 7.548 21.106 ( -1.993 8.571 0.000) 8.799 21.109 ( 8.406 2.750 0.000) 8.845 21.238 ( -5.065 1.132 0.000) 5.190 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 -26.960 0.000) 26.960 2.020 ( 0.000 26.960 0.000) 26.960 2.063 ( 0.000 -27.098 0.000) 27.098 2.063 ( 0.000 27.098 0.000) 27.098 3.337 ( 0.000 -6.393 0.000) 6.393 3.337 ( 0.000 6.393 0.000) 6.393 3.480 ( 0.000 -1.955 0.000) 1.955 3.480 ( 0.000 1.955 0.000) 1.955 3.585 ( 0.000 -32.700 0.000) 32.700 3.585 ( 0.000 32.700 0.000) 32.700 3.836 ( 0.000 -2.216 0.000) 2.216 3.836 ( 0.000 2.216 0.000) 2.216 3.960 ( 0.000 -8.219 0.000) 8.219 3.960 ( 0.000 8.219 0.000) 8.219 4.465 ( 0.000 -3.565 0.000) 3.565 4.465 ( 0.000 3.565 0.000) 3.565 4.974 ( 0.000 -3.221 0.000) 3.221 4.974 ( 0.000 3.221 0.000) 3.221 5.223 ( 0.000 -7.822 0.000) 7.822 5.223 ( 0.000 7.822 0.000) 7.822 5.688 ( 0.000 -25.607 0.000) 25.607 5.688 ( 0.000 25.607 0.000) 25.607 6.099 ( 0.000 -31.666 0.000) 31.666 6.099 ( 0.000 31.666 0.000) 31.666 6.619 ( 0.000 -11.279 0.000) 11.279 6.619 ( 0.000 11.279 0.000) 11.279 6.819 ( 0.000 -3.641 0.000) 3.641 6.819 ( 0.000 3.641 0.000) 3.641 7.550 ( 0.000 -4.286 0.000) 4.286 7.550 ( 0.000 4.286 0.000) 4.286 7.722 ( 0.000 -3.998 0.000) 3.998 7.722 ( 0.000 3.998 0.000) 3.998 7.921 ( 0.000 -0.588 0.000) 0.588 7.921 ( 0.000 0.588 0.000) 0.588 8.778 ( 0.000 -14.300 0.000) 14.300 8.778 ( 0.000 14.300 0.000) 14.300 9.374 ( 0.000 -0.627 0.000) 0.627 9.374 ( 0.000 0.627 0.000) 0.627 9.759 ( 0.000 -6.168 0.000) 6.168 9.759 ( 0.000 6.168 0.000) 6.168 10.484 ( 0.000 -5.035 0.000) 5.035 10.484 ( 0.000 5.035 0.000) 5.035 11.361 ( 0.000 -7.066 0.000) 7.066 11.361 ( 0.000 7.066 0.000) 7.066 11.995 ( 0.000 -12.754 0.000) 12.754 11.995 ( 0.000 12.754 0.000) 12.754 12.671 ( 0.000 -6.659 0.000) 6.659 12.671 ( 0.000 6.659 0.000) 6.659 14.444 ( 0.000 -1.974 0.000) 1.974 14.444 ( 0.000 1.974 0.000) 1.974 16.181 ( 0.000 -44.189 0.000) 44.189 16.181 ( 0.000 44.189 0.000) 44.189 17.963 ( 0.000 -0.071 0.000) 0.071 17.963 ( 0.000 0.071 0.000) 0.071 18.389 ( 0.000 -2.498 0.000) 2.498 18.389 ( 0.000 2.498 0.000) 2.498 20.390 ( 0.000 -11.257 0.000) 11.257 20.390 ( 0.000 11.257 0.000) 11.257 21.324 ( 0.000 -4.718 0.000) 4.718 21.324 ( 0.000 4.718 0.000) 4.718 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 6.432 -25.063 0.000) 25.875 2.088 ( 6.432 25.063 0.000) 25.875 2.134 ( 6.283 -24.839 0.000) 25.621 2.134 ( 6.283 24.839 0.000) 25.621 3.289 ( -4.977 -1.871 0.000) 5.317 3.289 ( -4.977 1.871 0.000) 5.317 3.388 ( -9.167 -3.035 0.000) 9.656 3.388 ( -9.167 3.035 0.000) 9.656 3.683 ( 6.711 -20.685 0.000) 21.747 3.683 ( 6.711 20.685 0.000) 21.747 3.792 ( -4.154 -3.419 0.000) 5.380 3.792 ( -4.154 3.419 0.000) 5.380 3.983 ( 5.451 -8.745 0.000) 10.305 3.983 ( 5.451 8.745 0.000) 10.305 4.534 ( 6.912 -4.306 0.000) 8.143 4.534 ( 6.912 4.306 0.000) 8.143 4.919 ( -3.237 -4.242 0.000) 5.336 4.919 ( -3.237 4.242 0.000) 5.336 5.292 ( 5.512 -9.343 0.000) 10.848 5.292 ( 5.512 9.343 0.000) 10.848 5.667 ( -2.518 -14.029 0.000) 14.253 5.667 ( -2.518 14.029 0.000) 14.253 6.131 ( 3.786 -18.430 0.000) 18.815 6.131 ( 3.786 18.430 0.000) 18.815 6.666 ( 4.028 -9.682 0.000) 10.487 6.666 ( 4.028 9.682 0.000) 10.487 6.804 ( 0.375 -3.582 0.000) 3.602 6.804 ( 0.375 3.582 0.000) 3.602 7.613 ( 0.916 -3.396 0.000) 3.517 7.613 ( 0.916 3.396 0.000) 3.517 7.672 ( -5.067 -5.158 0.000) 7.230 7.672 ( -5.067 5.158 0.000) 7.230 8.051 ( 15.159 -8.615 0.000) 17.436 8.051 ( 15.159 8.615 0.000) 17.436 8.794 ( 1.878 -13.566 0.000) 13.696 8.794 ( 1.878 13.566 0.000) 13.696 9.287 ( -7.754 -2.662 0.000) 8.198 9.287 ( -7.754 2.662 0.000) 8.198 9.822 ( 5.451 -7.832 0.000) 9.542 9.822 ( 5.451 7.832 0.000) 9.542 10.477 ( -0.832 -6.105 0.000) 6.161 10.477 ( -0.832 6.105 0.000) 6.161 11.310 ( -5.136 -7.919 0.000) 9.439 11.310 ( -5.136 7.919 0.000) 9.439 12.011 ( 1.589 -13.213 0.000) 13.308 12.011 ( 1.589 13.213 0.000) 13.308 12.618 ( -5.062 -10.762 0.000) 11.894 12.618 ( -5.062 10.762 0.000) 11.894 14.627 ( 18.425 -2.289 0.000) 18.566 14.627 ( 18.425 2.289 0.000) 18.566 16.209 ( 2.898 -43.476 0.000) 43.572 16.209 ( 2.898 43.476 0.000) 43.572 17.795 ( -15.276 -2.359 0.000) 15.458 17.795 ( -15.276 2.359 0.000) 15.458 18.320 ( -7.195 -2.529 0.000) 7.626 18.320 ( -7.195 2.529 0.000) 7.626 20.525 ( 12.036 -10.058 0.000) 15.685 20.525 ( 12.036 10.058 0.000) 15.685 21.320 ( -0.443 -4.687 0.000) 4.708 21.320 ( -0.443 4.687 0.000) 4.708 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 6.726 -19.451 0.000) 20.581 2.229 ( 6.726 19.451 0.000) 20.581 2.268 ( 7.053 -21.002 0.000) 22.154 2.268 ( 7.053 21.002 0.000) 22.154 3.120 ( -12.338 -3.972 0.000) 12.961 3.120 ( -12.338 3.972 0.000) 12.961 3.166 ( -12.106 -3.133 0.000) 12.505 3.166 ( -12.106 3.133 0.000) 12.505 3.695 ( -5.556 -3.559 0.000) 6.598 3.695 ( -5.556 3.559 0.000) 6.598 3.720 ( -1.774 -3.179 0.000) 3.641 3.720 ( -1.774 3.179 0.000) 3.641 4.302 ( 25.752 -30.394 0.000) 39.837 4.302 ( 25.752 30.394 0.000) 39.837 4.714 ( 10.898 -5.003 0.000) 11.992 4.714 ( 10.898 5.003 0.000) 11.992 4.896 ( 1.094 -2.221 0.000) 2.476 4.896 ( 1.094 2.221 0.000) 2.476 5.417 ( 7.457 -8.916 0.000) 11.623 5.417 ( 7.457 8.916 0.000) 11.623 5.600 ( -3.513 -3.039 0.000) 4.645 5.600 ( -3.513 3.039 0.000) 4.645 6.241 ( 6.862 -3.973 0.000) 7.929 6.241 ( 6.862 3.973 0.000) 7.929 6.724 ( 0.460 -10.440 0.000) 10.450 6.724 ( 0.460 10.440 0.000) 10.450 6.855 ( 3.982 -3.727 0.000) 5.454 6.855 ( 3.982 3.727 0.000) 5.454 7.539 ( -6.897 -3.707 0.000) 7.830 7.539 ( -6.897 3.707 0.000) 7.830 7.540 ( -7.796 -6.644 0.000) 10.243 7.540 ( -7.796 6.644 0.000) 10.243 8.414 ( 17.948 -8.752 0.000) 19.968 8.414 ( 17.948 8.752 0.000) 19.968 8.878 ( 8.365 -8.797 0.000) 12.139 8.878 ( 8.365 8.797 0.000) 12.139 9.116 ( -9.168 -5.043 0.000) 10.463 9.116 ( -9.168 5.043 0.000) 10.463 9.937 ( 5.756 -11.412 0.000) 12.781 9.937 ( 5.756 11.412 0.000) 12.781 10.447 ( -2.138 -8.205 0.000) 8.479 10.447 ( -2.138 8.205 0.000) 8.479 11.172 ( -8.926 -9.652 0.000) 13.146 11.172 ( -8.926 9.652 0.000) 13.146 12.055 ( 2.957 -14.116 0.000) 14.422 12.055 ( 2.957 14.116 0.000) 14.422 12.499 ( -6.636 -15.276 0.000) 16.655 12.499 ( -6.636 15.276 0.000) 16.655 15.121 ( 31.591 -2.894 0.000) 31.723 15.121 ( 31.591 2.894 0.000) 31.723 16.292 ( 5.651 -41.305 0.000) 41.689 16.292 ( 5.651 41.305 0.000) 41.689 17.459 ( -17.910 -8.914 0.000) 20.006 17.459 ( -17.910 8.914 0.000) 20.006 18.107 ( -14.936 -2.616 0.000) 15.163 18.107 ( -14.936 2.616 0.000) 15.163 20.777 ( 12.669 -6.616 0.000) 14.293 20.777 ( 12.669 6.616 0.000) 14.293 21.306 ( -1.041 -4.519 0.000) 4.637 21.306 ( -1.041 4.519 0.000) 4.637 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 0.190 -11.140 0.000) 11.142 2.300 ( 0.190 11.140 0.000) 11.142 2.379 ( 2.909 -18.873 0.000) 19.096 2.379 ( 2.909 18.873 0.000) 19.096 2.880 ( -9.462 -3.042 0.000) 9.939 2.880 ( -9.462 3.042 0.000) 9.939 2.987 ( -5.453 -2.823 0.000) 6.140 2.987 ( -5.453 2.823 0.000) 6.140 3.589 ( -4.887 -3.661 0.000) 6.106 3.589 ( -4.887 3.661 0.000) 6.106 3.660 ( -4.043 -5.582 0.000) 6.892 3.660 ( -4.043 5.582 0.000) 6.892 4.816 ( 17.776 -17.301 0.000) 24.805 4.816 ( 17.776 17.301 0.000) 24.805 4.909 ( 7.822 -3.942 0.000) 8.759 4.909 ( 7.822 3.942 0.000) 8.759 5.012 ( 18.334 -12.101 0.000) 21.968 5.012 ( 18.334 12.101 0.000) 21.968 5.564 ( 7.003 -6.171 0.000) 9.334 5.564 ( 7.003 6.171 0.000) 9.334 5.566 ( 0.610 -5.356 0.000) 5.390 5.566 ( 0.610 5.356 0.000) 5.390 6.357 ( 2.952 -5.015 0.000) 5.819 6.357 ( 2.952 5.015 0.000) 5.819 6.640 ( -8.285 -6.373 0.000) 10.453 6.640 ( -8.285 6.373 0.000) 10.453 6.898 ( -1.145 -3.417 0.000) 3.604 6.898 ( -1.145 3.417 0.000) 3.604 7.405 ( -5.475 -4.783 0.000) 7.269 7.405 ( -5.475 4.783 0.000) 7.269 7.415 ( -4.291 -6.721 0.000) 7.973 7.415 ( -4.291 6.721 0.000) 7.973 8.641 ( 6.372 -8.166 0.000) 10.358 8.641 ( 6.372 8.166 0.000) 10.358 8.951 ( -7.693 -7.446 0.000) 10.706 8.951 ( -7.693 7.446 0.000) 10.706 9.160 ( 19.296 -14.062 0.000) 23.876 9.160 ( 19.296 14.062 0.000) 23.876 9.996 ( -1.483 -16.472 0.000) 16.538 9.996 ( -1.483 16.472 0.000) 16.538 10.429 ( 1.906 -10.257 0.000) 10.432 10.429 ( 1.906 10.257 0.000) 10.432 10.975 ( -11.119 -11.116 0.000) 15.723 10.975 ( -11.119 11.116 0.000) 15.723 12.121 ( 3.759 -14.763 0.000) 15.234 12.121 ( 3.759 14.763 0.000) 15.234 12.378 ( -5.686 -16.560 0.000) 17.509 12.378 ( -5.686 16.560 0.000) 17.509 15.800 ( 37.342 -3.208 0.000) 37.479 15.800 ( 37.342 3.208 0.000) 37.479 16.426 ( 8.118 -37.569 0.000) 38.436 16.426 ( 8.118 37.569 0.000) 38.436 17.133 ( -15.469 -17.404 0.000) 23.285 17.133 ( -15.469 17.404 0.000) 23.285 17.739 ( -23.164 -2.717 0.000) 23.323 17.739 ( -23.164 2.717 0.000) 23.323 20.990 ( 9.219 -2.508 0.000) 9.554 20.990 ( 9.219 2.508 0.000) 9.554 21.277 ( -1.984 -4.016 0.000) 4.480 21.277 ( -1.984 4.016 0.000) 4.480 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.116 -8.447 0.000) 8.448 2.283 ( 0.116 8.447 0.000) 8.448 2.340 ( -4.989 -13.030 0.000) 13.953 2.340 ( -4.989 13.030 0.000) 13.953 2.837 ( 3.603 -3.621 0.000) 5.108 2.837 ( 3.603 3.621 0.000) 5.108 2.918 ( -3.441 -5.585 0.000) 6.560 2.918 ( -3.441 5.585 0.000) 6.560 3.533 ( -0.265 -7.035 0.000) 7.040 3.533 ( -0.265 7.035 0.000) 7.040 3.577 ( -4.059 -7.506 0.000) 8.533 3.577 ( -4.059 7.506 0.000) 8.533 4.952 ( 3.417 -7.839 0.000) 8.551 4.952 ( 3.417 7.839 0.000) 8.551 4.986 ( 0.448 -5.699 0.000) 5.717 4.986 ( 0.448 5.699 0.000) 5.717 5.551 ( 23.356 -10.935 0.000) 25.789 5.551 ( 23.356 10.935 0.000) 25.789 5.615 ( 3.050 -3.936 0.000) 4.980 5.615 ( 3.050 3.936 0.000) 4.980 5.682 ( 10.047 -9.770 0.000) 14.014 5.682 ( 10.047 9.770 0.000) 14.014 6.149 ( -23.409 -16.999 0.000) 28.930 6.149 ( -23.409 16.999 0.000) 28.930 6.623 ( 6.864 -3.662 0.000) 7.780 6.623 ( 6.864 3.662 0.000) 7.780 6.790 ( -8.825 -3.184 0.000) 9.382 6.790 ( -8.825 3.184 0.000) 9.382 7.357 ( -0.065 -6.411 0.000) 6.412 7.357 ( -0.065 6.411 0.000) 6.412 7.370 ( -1.101 -7.236 0.000) 7.320 7.370 ( -1.101 7.236 0.000) 7.320 8.732 ( 4.153 -11.048 0.000) 11.803 8.732 ( 4.153 11.048 0.000) 11.803 8.823 ( -5.512 -9.802 0.000) 11.245 8.823 ( -5.512 9.802 0.000) 11.245 9.540 ( 18.658 -18.196 0.000) 26.062 9.540 ( 18.658 18.196 0.000) 26.062 9.851 ( -12.751 -18.702 0.000) 22.635 9.851 ( -12.751 18.702 0.000) 22.635 10.546 ( 9.299 -11.729 0.000) 14.968 10.546 ( 9.299 11.729 0.000) 14.968 10.753 ( -11.528 -11.866 0.000) 16.543 10.753 ( -11.528 11.866 0.000) 16.543 12.197 ( 4.073 -15.226 0.000) 15.761 12.197 ( 4.073 15.226 0.000) 15.761 12.280 ( -4.556 -15.964 0.000) 16.601 12.280 ( -4.556 15.964 0.000) 16.601 16.509 ( 33.005 -1.316 0.000) 33.031 16.509 ( 33.005 1.316 0.000) 33.031 16.601 ( 9.623 -31.697 0.000) 33.125 16.601 ( 9.623 31.697 0.000) 33.125 16.875 ( -9.280 -23.406 0.000) 25.178 16.875 ( -9.280 23.406 0.000) 25.178 17.217 ( -30.196 -2.298 0.000) 30.283 17.217 ( -30.196 2.298 0.000) 30.283 21.135 ( 5.912 -0.819 0.000) 5.969 21.135 ( 5.912 0.819 0.000) 5.969 21.225 ( -3.525 -2.889 0.000) 4.558 21.225 ( -3.525 2.889 0.000) 4.558 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 0.000 34.500) 34.500 0.681 ( 0.000 0.000 33.950) 33.950 1.192 ( 0.000 0.000 59.794) 59.794 2.901 ( 0.000 0.000 6.479) 6.479 3.024 ( 0.000 0.000 -1.480) 1.480 3.260 ( 0.000 0.000 2.247) 2.247 3.341 ( 0.000 0.000 -7.730) 7.730 3.420 ( 0.000 0.000 -7.729) 7.729 3.609 ( 0.000 0.000 -18.254) 18.254 3.625 ( 0.000 0.000 4.856) 4.856 3.663 ( 0.000 0.000 7.729) 7.729 4.059 ( 0.000 0.000 -3.119) 3.119 4.245 ( 0.000 0.000 0.580) 0.580 4.337 ( 0.000 0.000 -9.503) 9.503 4.338 ( 0.000 0.000 -3.052) 3.052 4.525 ( 0.000 0.000 19.653) 19.653 4.616 ( 0.000 0.000 6.921) 6.921 4.701 ( 0.000 0.000 2.902) 2.902 4.751 ( 0.000 0.000 -13.671) 13.671 4.824 ( 0.000 0.000 11.353) 11.353 5.270 ( 0.000 0.000 -7.147) 7.147 6.104 ( 0.000 0.000 3.461) 3.461 6.371 ( 0.000 0.000 12.920) 12.920 6.509 ( 0.000 0.000 -13.372) 13.372 6.702 ( 0.000 0.000 4.753) 4.753 6.708 ( 0.000 0.000 -0.575) 0.575 6.769 ( 0.000 0.000 -8.016) 8.016 7.362 ( 0.000 0.000 -9.399) 9.399 7.518 ( 0.000 0.000 8.441) 8.441 7.522 ( 0.000 0.000 -4.741) 4.741 7.695 ( 0.000 0.000 -11.274) 11.274 7.877 ( 0.000 0.000 10.157) 10.157 7.924 ( 0.000 0.000 1.321) 1.321 7.961 ( 0.000 0.000 0.321) 0.321 8.262 ( 0.000 0.000 13.259) 13.259 9.119 ( 0.000 0.000 1.423) 1.423 9.440 ( 0.000 0.000 -1.600) 1.600 9.482 ( 0.000 0.000 -5.875) 5.875 9.582 ( 0.000 0.000 6.385) 6.385 9.627 ( 0.000 0.000 -2.596) 2.596 10.347 ( 0.000 0.000 -3.134) 3.134 10.535 ( 0.000 0.000 -11.613) 11.613 11.068 ( 0.000 0.000 -2.701) 2.701 11.413 ( 0.000 0.000 -3.466) 3.466 11.703 ( 0.000 0.000 7.973) 7.973 12.539 ( 0.000 0.000 6.474) 6.474 12.989 ( 0.000 0.000 0.280) 0.280 13.173 ( 0.000 0.000 0.890) 0.890 14.512 ( 0.000 0.000 14.823) 14.823 14.534 ( 0.000 0.000 6.044) 6.044 14.676 ( 0.000 0.000 15.556) 15.556 17.890 ( 0.000 0.000 -7.196) 7.196 17.898 ( 0.000 0.000 -7.019) 7.019 17.989 ( 0.000 0.000 -25.921) 25.921 18.175 ( 0.000 0.000 -0.893) 0.893 18.310 ( 0.000 0.000 -0.497) 0.497 20.135 ( 0.000 0.000 18.854) 18.854 20.814 ( 0.000 0.000 -0.225) 0.225 20.821 ( 0.000 0.000 -0.038) 0.038 21.347 ( 0.000 0.000 -0.376) 0.376 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 21.003 0.000 21.489) 30.048 0.974 ( 25.543 0.000 22.728) 34.191 1.691 ( 40.075 0.000 41.925) 57.997 2.947 ( 4.321 0.000 5.650) 7.113 3.017 ( -1.012 0.000 -2.706) 2.889 3.142 ( -7.618 0.000 2.137) 7.912 3.360 ( 0.371 0.000 -10.228) 10.235 3.441 ( 0.093 0.000 -6.467) 6.467 3.488 ( -9.835 0.000 -2.200) 10.077 3.614 ( -0.031 0.000 3.361) 3.361 3.798 ( 9.916 0.000 -3.667) 10.573 3.968 ( -9.077 0.000 -2.737) 9.481 4.148 ( -1.456 0.000 2.463) 2.861 4.262 ( -7.730 0.000 -3.121) 8.336 4.320 ( -1.754 0.000 -9.921) 10.075 4.474 ( -3.695 0.000 -6.163) 7.186 4.702 ( 9.400 0.000 10.307) 13.950 4.811 ( 10.615 0.000 4.203) 11.417 4.965 ( 6.750 0.000 -1.541) 6.924 4.966 ( 15.507 0.000 13.283) 20.419 5.249 ( -0.933 0.000 -5.723) 5.798 6.060 ( -3.248 0.000 -2.412) 4.045 6.353 ( -1.156 0.000 10.494) 10.557 6.523 ( -2.192 0.000 -8.010) 8.305 6.696 ( 0.470 0.000 0.927) 1.039 6.792 ( 6.733 0.000 1.459) 6.889 6.942 ( 11.787 0.000 -4.180) 12.506 7.274 ( -9.393 0.000 -12.755) 15.840 7.305 ( -5.881 0.000 18.708) 19.611 7.461 ( -3.053 0.000 -2.360) 3.859 7.628 ( 0.654 0.000 4.653) 4.699 7.700 ( -2.035 0.000 -9.386) 9.604 8.006 ( 6.152 0.000 2.625) 6.688 8.254 ( 2.200 0.000 10.553) 10.780 8.892 ( 37.144 0.000 -30.053) 47.779 9.122 ( 0.352 0.000 1.869) 1.901 9.200 ( -14.502 0.000 -3.657) 14.956 9.534 ( -3.225 0.000 3.530) 4.782 9.596 ( 3.318 0.000 -5.654) 6.555 9.703 ( 6.243 0.000 0.946) 6.314 10.358 ( 1.656 0.000 -3.750) 4.099 10.589 ( 4.539 0.000 -13.120) 13.883 11.014 ( -4.598 0.000 -0.607) 4.637 11.375 ( -3.914 0.000 -3.208) 5.061 11.686 ( -1.790 0.000 8.760) 8.941 12.308 ( -34.444 0.000 40.999) 53.547 12.565 ( 1.990 0.000 6.736) 7.024 13.197 ( -2.854 0.000 -2.996) 4.138 14.453 ( 1.600 0.000 0.304) 1.628 14.812 ( 20.766 0.000 19.018) 28.159 14.869 ( 19.310 0.000 15.241) 24.600 17.497 ( -26.921 0.000 -21.224) 34.282 18.133 ( 2.794 0.000 -3.937) 4.828 18.194 ( 1.020 0.000 -3.074) 3.239 18.225 ( 13.481 0.000 -14.880) 20.078 18.306 ( -0.380 0.000 -0.410) 0.559 20.241 ( 10.297 0.000 13.695) 17.134 20.648 ( -9.173 0.000 -0.543) 9.189 20.806 ( -0.870 0.000 -0.753) 1.151 21.339 ( -0.858 0.000 -0.615) 1.055 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 26.586 0.000 6.426) 27.352 1.529 ( 30.098 0.000 12.124) 32.448 2.432 ( 28.976 0.000 25.380) 38.520 2.964 ( -4.021 0.000 -2.204) 4.585 3.036 ( 3.778 0.000 3.731) 5.310 3.093 ( 5.829 0.000 -0.734) 5.875 3.266 ( -11.079 0.000 4.405) 11.922 3.339 ( -2.473 0.000 -5.952) 6.445 3.395 ( -3.842 0.000 -6.388) 7.454 3.655 ( 3.945 0.000 -1.190) 4.121 3.763 ( -11.125 0.000 -2.808) 11.474 3.994 ( 6.507 0.000 -3.703) 7.486 4.090 ( -8.320 0.000 -2.083) 8.577 4.165 ( 0.616 0.000 1.943) 2.038 4.319 ( 5.320 0.000 -13.308) 14.332 4.381 ( -7.012 0.000 -7.272) 10.101 4.875 ( 9.610 0.000 10.054) 13.908 5.024 ( 9.957 0.000 7.839) 12.672 5.115 ( 11.321 0.000 -1.236) 11.389 5.283 ( 5.400 0.000 -2.894) 6.126 5.336 ( 20.321 0.000 8.358) 21.973 6.007 ( -2.292 0.000 -3.701) 4.353 6.346 ( 0.782 0.000 8.481) 8.517 6.378 ( -12.485 0.000 -5.459) 13.626 6.690 ( -1.181 0.000 1.082) 1.602 6.817 ( -9.066 0.000 -9.218) 12.929 7.104 ( -4.631 0.000 -5.967) 7.553 7.140 ( 7.025 0.000 -0.443) 7.039 7.327 ( 3.880 0.000 5.437) 6.680 7.459 ( 3.794 0.000 1.568) 4.105 7.620 ( 1.104 0.000 -0.712) 1.314 7.745 ( 5.501 0.000 1.868) 5.810 8.102 ( 3.046 0.000 4.814) 5.697 8.320 ( 5.080 0.000 8.802) 10.163 8.870 ( -16.610 0.000 -2.564) 16.807 9.137 ( 1.285 0.000 3.062) 3.320 9.290 ( 2.347 0.000 -10.790) 11.042 9.465 ( -3.975 0.000 4.368) 5.906 9.674 ( 7.420 0.000 -17.616) 19.115 9.869 ( 11.137 0.000 1.541) 11.243 10.434 ( 6.483 0.000 -5.583) 8.555 10.621 ( -3.835 0.000 -14.186) 14.695 10.969 ( 1.777 0.000 -0.892) 1.988 11.260 ( -8.063 0.000 -2.491) 8.439 11.638 ( -2.810 0.000 12.835) 13.139 11.905 ( -10.225 0.000 34.512) 35.995 12.621 ( 3.389 0.000 5.999) 6.890 13.105 ( -6.075 0.000 -2.025) 6.404 14.572 ( 10.406 0.000 -8.456) 13.409 15.316 ( 30.760 0.000 23.658) 38.805 15.382 ( 32.496 0.000 14.536) 35.599 16.928 ( -31.028 0.000 -22.883) 38.554 18.091 ( -9.121 0.000 4.603) 10.217 18.184 ( 0.300 0.000 0.470) 0.558 18.251 ( -8.611 0.000 1.088) 8.680 18.295 ( -0.735 0.000 -0.121) 0.745 20.492 ( 14.463 0.000 5.080) 15.329 20.563 ( -0.583 0.000 -10.310) 10.326 20.781 ( -1.593 0.000 -2.304) 2.801 21.312 ( -2.073 0.000 -1.259) 2.425 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 24.277 0.000 -0.469) 24.282 2.099 ( 28.138 0.000 6.464) 28.871 2.682 ( 3.106 0.000 7.931) 8.518 2.932 ( 0.807 0.000 -1.475) 1.682 3.050 ( -1.688 0.000 2.819) 3.286 3.078 ( -10.484 0.000 -1.576) 10.602 3.118 ( -5.147 0.000 3.902) 6.459 3.280 ( -7.027 0.000 -5.940) 9.201 3.428 ( 1.138 0.000 -1.646) 2.001 3.536 ( -12.157 0.000 -2.553) 12.422 3.802 ( 11.716 0.000 -0.537) 11.729 4.001 ( -2.506 0.000 -1.092) 2.733 4.001 ( -1.467 0.000 -0.688) 1.620 4.145 ( -2.626 0.000 1.212) 2.892 4.325 ( 9.517 0.000 -1.064) 9.576 4.577 ( 18.214 0.000 -12.137) 21.887 5.056 ( 7.768 0.000 10.653) 13.184 5.241 ( 11.696 0.000 3.493) 12.207 5.309 ( 8.740 0.000 -7.709) 11.654 5.462 ( 10.322 0.000 5.558) 11.723 5.694 ( 15.735 0.000 -0.882) 15.760 5.957 ( -3.221 0.000 -3.655) 4.872 6.060 ( -19.370 0.000 -4.364) 19.856 6.397 ( 3.883 0.000 6.364) 7.455 6.522 ( -16.496 0.000 -19.463) 25.513 6.665 ( -0.914 0.000 0.808) 1.220 7.007 ( -7.489 0.000 2.603) 7.928 7.081 ( -10.592 0.000 0.553) 10.606 7.491 ( 11.481 0.000 -2.892) 11.840 7.614 ( 10.897 0.000 6.014) 12.447 7.697 ( 4.738 0.000 3.178) 5.705 7.870 ( 7.080 0.000 5.578) 9.013 8.109 ( -2.385 0.000 6.538) 6.959 8.456 ( 8.159 0.000 5.237) 9.695 8.554 ( -14.888 0.000 -0.806) 14.909 9.172 ( -10.942 0.000 -1.271) 11.016 9.172 ( 2.392 0.000 4.574) 5.161 9.382 ( -4.423 0.000 5.697) 7.212 9.843 ( 8.829 0.000 -15.643) 17.963 10.132 ( 15.798 0.000 1.204) 15.844 10.455 ( -11.084 0.000 -9.397) 14.531 10.603 ( 10.069 0.000 -8.089) 12.915 11.024 ( 1.163 0.000 -8.436) 8.516 11.062 ( -12.308 0.000 -1.494) 12.399 11.609 ( 0.767 0.000 18.317) 18.333 11.799 ( -2.765 0.000 24.095) 24.253 12.689 ( 3.647 0.000 5.096) 6.266 12.978 ( -6.696 0.000 -0.565) 6.719 14.845 ( 17.653 0.000 -14.312) 22.726 15.970 ( 35.553 0.000 23.769) 42.767 16.074 ( 37.809 0.000 13.698) 40.214 16.326 ( -30.419 0.000 -21.880) 37.471 17.797 ( -20.659 0.000 12.644) 24.221 17.954 ( -21.231 0.000 8.771) 22.971 18.202 ( 1.209 0.000 0.372) 1.265 18.277 ( -1.101 0.000 0.060) 1.102 20.588 ( 2.465 0.000 -12.461) 12.703 20.745 ( -2.169 0.000 -4.638) 5.120 20.766 ( 13.318 0.000 -0.357) 13.322 21.255 ( -3.940 0.000 -2.093) 4.462 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 21.162 0.000 -3.635) 21.472 2.592 ( 22.166 0.000 3.523) 22.444 2.640 ( -11.554 0.000 -2.158) 11.754 2.888 ( -0.362 0.000 -3.318) 3.338 2.933 ( -12.777 0.000 2.796) 13.080 2.967 ( -3.087 0.000 -3.542) 4.699 3.102 ( 5.934 0.000 1.334) 6.082 3.178 ( 0.862 0.000 3.175) 3.290 3.293 ( -12.515 0.000 -0.963) 12.552 3.309 ( -9.274 0.000 1.857) 9.458 3.922 ( 2.520 0.000 -1.888) 3.148 3.961 ( -2.153 0.000 -1.091) 2.414 3.994 ( 2.346 0.000 0.118) 2.349 4.070 ( -4.605 0.000 0.672) 4.654 4.826 ( 33.396 0.000 -1.961) 33.454 4.924 ( 15.728 0.000 -4.130) 16.261 5.115 ( -3.013 0.000 6.713) 7.358 5.383 ( -10.951 0.000 -2.842) 11.314 5.442 ( 1.642 0.000 -5.161) 5.416 5.468 ( -2.603 0.000 -0.181) 2.610 5.812 ( 0.944 0.000 4.264) 4.367 5.887 ( -4.159 0.000 -0.076) 4.160 5.937 ( 10.568 0.000 -13.320) 17.004 6.173 ( -14.910 0.000 -22.932) 27.353 6.585 ( 11.443 0.000 9.410) 14.816 6.688 ( 4.358 0.000 -0.131) 4.360 6.817 ( -11.600 0.000 6.688) 13.390 6.849 ( -11.595 0.000 -0.634) 11.612 7.685 ( 7.253 0.000 -1.382) 7.383 7.751 ( 0.200 0.000 2.529) 2.537 7.831 ( 10.792 0.000 7.679) 13.245 8.012 ( -7.500 0.000 7.602) 10.679 8.026 ( 9.706 0.000 4.720) 10.793 8.256 ( -13.796 0.000 0.718) 13.815 8.677 ( 12.462 0.000 2.914) 12.798 8.930 ( -13.315 0.000 0.748) 13.336 9.228 ( 3.291 0.000 5.790) 6.660 9.299 ( -4.065 0.000 6.243) 7.450 10.020 ( 9.877 0.000 -10.510) 14.423 10.229 ( -11.617 0.000 -8.501) 14.395 10.460 ( 17.502 0.000 0.484) 17.508 10.788 ( -15.899 0.000 -0.446) 15.906 10.804 ( 10.073 0.000 -8.947) 13.473 10.970 ( -6.407 0.000 -9.872) 11.769 11.668 ( 4.469 0.000 18.887) 19.409 11.748 ( -3.268 0.000 19.662) 19.932 12.764 ( 4.204 0.000 3.547) 5.500 12.858 ( -5.595 0.000 1.451) 5.780 15.246 ( 23.566 0.000 -17.984) 29.644 15.748 ( -28.055 0.000 -20.317) 34.639 16.673 ( 35.279 0.000 21.581) 41.356 16.801 ( 36.388 0.000 12.763) 38.561 17.307 ( -29.608 0.000 17.899) 34.598 17.452 ( -30.299 0.000 11.488) 32.404 18.227 ( 1.368 0.000 0.279) 1.396 18.254 ( -1.317 0.000 0.174) 1.329 20.643 ( 2.982 0.000 -10.485) 10.901 20.698 ( -2.672 0.000 -7.502) 7.963 20.993 ( 10.042 0.000 -2.503) 10.350 21.154 ( -6.641 0.000 -2.727) 7.179 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 22.473 18.132) 28.876 1.002 ( 0.000 25.639 22.166) 33.893 1.805 ( 0.000 45.480 40.529) 60.918 2.823 ( 0.000 -8.989 4.134) 9.894 2.931 ( 0.000 -10.107 2.602) 10.436 3.238 ( 0.000 1.231 -1.000) 1.586 3.284 ( 0.000 -4.314 -11.477) 12.261 3.345 ( 0.000 -1.362 -4.960) 5.143 3.528 ( 0.000 -4.669 3.510) 5.841 3.743 ( 0.000 7.667 -14.675) 16.557 3.806 ( 0.000 6.225 6.613) 9.082 4.010 ( 0.000 -4.543 -2.505) 5.188 4.251 ( 0.000 -6.600 0.245) 6.604 4.413 ( 0.000 -3.808 2.631) 4.629 4.498 ( 0.000 14.706 -15.691) 21.505 4.515 ( 0.000 8.011 -1.976) 8.251 4.603 ( 0.000 -7.661 -5.627) 9.505 4.659 ( 0.000 -0.151 10.995) 10.996 4.841 ( 0.000 11.961 5.688) 13.245 4.939 ( 0.000 15.471 8.423) 17.616 5.229 ( 0.000 -2.471 -6.528) 6.980 5.973 ( 0.000 -12.284 5.971) 13.658 6.400 ( 0.000 2.672 9.071) 9.456 6.439 ( 0.000 -7.978 -9.270) 12.230 6.672 ( 0.000 -2.423 -5.245) 5.777 6.733 ( 0.000 3.021 6.567) 7.229 6.896 ( 0.000 2.846 0.272) 2.859 7.326 ( 0.000 -4.159 -3.656) 5.538 7.474 ( 0.000 -8.072 1.759) 8.262 7.545 ( 0.000 2.109 -4.664) 5.119 7.661 ( 0.000 -3.267 -10.099) 10.614 7.759 ( 0.000 -0.646 -2.273) 2.363 7.921 ( 0.000 -2.584 -0.599) 2.652 7.998 ( 0.000 0.110 4.025) 4.027 8.316 ( 0.000 5.900 10.341) 11.905 9.118 ( 0.000 -1.172 1.216) 1.689 9.425 ( 0.000 -1.316 -1.478) 1.979 9.439 ( 0.000 -2.481 -1.728) 3.023 9.613 ( 0.000 2.939 6.472) 7.108 9.766 ( 0.000 7.332 -7.783) 10.692 10.345 ( 0.000 -0.695 -3.055) 3.133 10.523 ( 0.000 -1.302 -10.989) 11.066 11.092 ( 0.000 2.452 -3.512) 4.283 11.431 ( 0.000 0.822 -6.052) 6.107 11.723 ( 0.000 2.814 9.914) 10.306 12.479 ( 0.000 -5.664 6.751) 8.812 12.826 ( 0.000 -15.457 19.045) 24.528 12.944 ( 0.000 -4.103 0.637) 4.153 14.523 ( 0.000 1.058 14.873) 14.911 14.662 ( 0.000 -0.672 15.007) 15.022 14.764 ( 0.000 21.038 6.084) 21.900 17.846 ( 0.000 -27.028 0.119) 27.028 17.890 ( 0.000 0.044 -7.218) 7.218 17.897 ( 0.000 -0.064 -7.039) 7.039 18.026 ( 0.000 0.740 -25.605) 25.616 18.292 ( 0.000 -1.935 -10.924) 11.094 20.192 ( 0.000 5.420 17.949) 18.749 20.836 ( 0.000 -1.845 4.111) 4.506 20.944 ( 0.000 10.748 -0.052) 10.748 21.366 ( 0.000 1.214 0.082) 1.217 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 19.446 18.204 13.334) 29.788 1.179 ( 16.499 20.402 16.444) 30.966 2.136 ( 30.169 36.523 32.858) 57.652 2.845 ( 1.356 -9.758 2.446) 10.151 2.933 ( 0.387 -9.373 3.400) 9.978 3.155 ( -6.499 1.891 -2.760) 7.310 3.288 ( -1.196 -4.134 -8.203) 9.263 3.336 ( -1.478 -2.541 -4.671) 5.519 3.529 ( 0.562 -3.977 2.010) 4.491 3.647 ( -7.358 5.812 -0.001) 9.377 3.874 ( 5.274 3.695 -4.009) 7.585 3.936 ( -6.449 -4.429 -3.977) 8.776 4.146 ( -9.038 -2.505 -4.728) 10.503 4.370 ( -5.101 0.444 -2.025) 5.506 4.415 ( -3.083 4.061 -6.566) 8.313 4.478 ( 0.329 10.310 -7.997) 13.052 4.760 ( 8.579 -1.981 1.310) 8.902 4.813 ( 12.774 1.797 8.386) 15.386 4.955 ( 4.838 13.128 5.732) 15.120 5.013 ( 13.026 3.841 11.521) 17.809 5.229 ( 1.190 -0.888 -5.862) 6.047 5.956 ( -1.347 -9.953 2.137) 10.269 6.364 ( -2.156 0.177 6.573) 6.920 6.445 ( -1.074 -6.617 -5.585) 8.725 6.671 ( -1.309 -3.295 -1.091) 3.710 6.774 ( 4.326 0.531 5.933) 7.362 7.023 ( 9.700 0.313 3.774) 10.413 7.292 ( -5.040 1.709 -11.720) 12.872 7.390 ( -4.304 -4.297 2.892) 6.734 7.441 ( -6.182 5.636 -3.585) 9.101 7.585 ( 3.793 -0.734 3.007) 4.896 7.711 ( -3.596 2.281 -6.867) 8.081 7.955 ( 3.998 -4.533 2.924) 6.715 8.265 ( 4.175 0.591 7.733) 8.808 8.662 ( 31.729 -13.491 -12.433) 36.651 9.132 ( 1.544 -0.897 0.677) 1.910 9.214 ( -13.318 1.212 -1.939) 13.513 9.471 ( -2.612 -4.365 0.896) 5.165 9.628 ( 1.303 3.504 5.817) 6.915 9.829 ( 4.863 6.818 -7.914) 11.522 10.356 ( 1.544 -1.106 -3.337) 3.840 10.564 ( 3.564 -2.384 -12.133) 12.868 11.030 ( -5.748 2.093 -1.949) 6.420 11.403 ( -2.874 1.304 -6.168) 6.928 11.709 ( -1.287 3.333 10.785) 11.362 12.382 ( -24.507 5.870 26.332) 36.447 12.504 ( 1.870 -5.750 6.949) 9.211 13.068 ( 0.906 -9.842 -0.506) 9.897 14.573 ( 5.422 8.442 3.519) 10.633 14.853 ( 19.070 -1.053 15.018) 24.297 14.929 ( 16.588 13.528 15.616) 26.496 17.518 ( -25.919 1.955 -20.172) 32.902 17.859 ( 0.717 -27.791 0.969) 27.817 17.978 ( 4.293 -13.684 -4.572) 15.053 18.166 ( 3.152 0.571 -7.774) 8.408 18.316 ( 0.591 -1.078 -8.218) 8.310 20.295 ( 9.985 5.110 12.915) 17.106 20.763 ( -4.858 4.762 -0.551) 6.825 20.936 ( -0.826 10.756 -0.533) 10.801 21.355 ( -1.033 1.211 -0.322) 1.624 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 22.469 14.269 6.769) 27.464 1.576 ( 23.426 7.021 9.439) 26.213 2.690 ( 13.861 15.160 14.443) 25.111 2.857 ( -0.792 -7.012 2.070) 7.354 3.001 ( 13.388 -2.818 2.977) 14.001 3.085 ( 1.934 2.411 1.182) 3.309 3.183 ( -9.438 -5.348 -0.819) 10.879 3.281 ( -4.875 -5.050 -6.235) 9.388 3.461 ( -6.854 5.578 -1.301) 8.932 3.615 ( 3.634 -3.973 -1.494) 5.588 3.754 ( -8.578 -1.561 -1.449) 8.839 3.934 ( -6.697 -8.683 -0.637) 10.984 4.018 ( -1.672 -3.776 -3.089) 5.157 4.284 ( 0.724 5.604 -5.110) 7.618 4.409 ( 2.521 7.363 -11.251) 13.681 4.510 ( 2.272 14.777 -4.421) 15.591 4.966 ( 13.242 -2.965 2.482) 13.795 4.974 ( 5.702 8.945 11.100) 15.354 5.130 ( 10.789 1.677 -3.131) 11.359 5.278 ( 10.520 2.507 4.638) 11.767 5.379 ( 16.885 1.260 6.648) 18.191 5.931 ( -1.200 -7.377 -0.284) 7.480 6.326 ( -4.671 -2.285 0.564) 5.230 6.376 ( -3.567 -0.121 2.021) 4.102 6.631 ( -2.017 -4.668 -1.147) 5.213 6.825 ( -3.986 0.637 -3.355) 5.249 7.009 ( -8.479 -3.269 -7.976) 12.091 7.262 ( 0.945 0.722 7.694) 7.785 7.380 ( -0.942 -0.767 0.059) 1.216 7.428 ( 6.651 0.249 -5.912) 8.902 7.655 ( -0.100 3.412 -2.174) 4.047 7.723 ( 9.603 3.539 4.230) 11.074 8.006 ( 0.791 -7.812 5.565) 9.623 8.350 ( 5.779 2.878 7.416) 9.832 8.926 ( -13.756 4.371 -1.715) 14.535 9.082 ( 7.363 -6.755 -1.666) 10.130 9.234 ( 6.185 -4.408 -8.059) 11.074 9.416 ( 0.593 -5.942 0.177) 5.974 9.643 ( 1.184 2.147 2.423) 3.447 9.928 ( 5.849 4.394 -4.658) 8.672 10.426 ( 5.878 -2.200 -4.278) 7.596 10.605 ( -1.338 -2.353 -14.393) 14.646 10.912 ( -5.272 -2.084 0.493) 5.690 11.319 ( -5.857 2.220 -6.542) 9.057 11.682 ( -1.113 5.352 13.621) 14.677 12.035 ( -11.243 11.174 25.568) 30.083 12.559 ( 3.371 -5.868 6.197) 9.176 13.018 ( -4.919 -7.902 -0.863) 9.348 14.736 ( 11.405 14.583 -8.187) 20.242 15.357 ( 31.326 -0.094 16.296) 35.311 15.381 ( 29.637 4.753 21.290) 36.799 16.972 ( -29.568 4.235 -21.787) 36.971 17.879 ( 1.311 -27.293 0.790) 27.336 18.011 ( -0.719 -20.831 -2.454) 20.987 18.102 ( -9.277 0.291 4.569) 10.345 18.238 ( -9.354 -1.362 1.634) 9.593 20.537 ( 13.936 4.290 4.450) 15.246 20.710 ( -0.496 9.470 -8.102) 12.473 20.913 ( -1.531 10.813 -1.933) 11.090 21.326 ( -2.092 1.145 -1.169) 2.656 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 19.888 7.135 1.684) 21.196 2.029 ( 22.114 -2.401 6.051) 23.052 2.754 ( 1.193 -2.417 -1.038) 2.889 2.834 ( -0.333 -5.495 1.853) 5.809 2.974 ( -9.898 -5.475 0.449) 11.321 3.065 ( -3.990 -2.451 1.999) 5.092 3.125 ( -7.101 -6.946 -4.598) 10.946 3.238 ( -3.459 8.956 2.135) 9.835 3.360 ( -5.240 -5.558 -4.549) 8.890 3.562 ( -13.195 -0.848 -0.511) 13.232 3.699 ( 4.244 -8.029 -1.711) 9.241 3.896 ( -2.950 -7.783 0.061) 8.323 4.073 ( 18.803 5.599 5.840) 20.470 4.326 ( 0.710 19.204 -2.347) 19.360 4.535 ( 7.441 14.261 -4.505) 16.705 4.630 ( 15.057 4.058 -12.405) 19.926 5.090 ( 5.296 2.390 11.697) 13.061 5.246 ( 14.204 0.776 1.728) 14.329 5.311 ( 8.813 1.358 -7.075) 11.383 5.489 ( 9.717 2.983 5.335) 11.479 5.711 ( 15.059 0.117 1.793) 15.166 5.903 ( -2.064 -5.074 -1.153) 5.598 6.091 ( -16.605 3.217 -3.167) 17.207 6.411 ( 4.980 0.877 7.168) 8.772 6.548 ( -15.923 1.438 -19.700) 25.371 6.617 ( -1.688 -3.197 -3.184) 4.818 6.901 ( -6.624 -5.681 -1.721) 8.895 7.149 ( -10.707 1.338 5.120) 11.944 7.429 ( 5.779 -3.931 4.770) 8.462 7.575 ( 6.198 -5.820 2.463) 8.852 7.700 ( 3.886 -3.051 2.462) 5.520 7.908 ( 4.375 1.073 3.929) 5.977 8.008 ( 3.655 0.622 6.634) 7.600 8.505 ( 10.168 4.406 4.297) 11.885 8.660 ( -12.984 7.797 0.341) 15.149 9.166 ( 1.137 -1.563 2.227) 2.949 9.171 ( -5.797 -0.749 0.751) 5.893 9.438 ( -3.393 5.195 2.532) 6.701 9.782 ( 12.152 -6.726 -12.455) 18.656 10.086 ( 11.130 -1.299 2.183) 11.416 10.464 ( -9.186 -0.319 -10.295) 13.801 10.596 ( 8.353 -1.511 -6.311) 10.577 10.820 ( -5.816 -9.625 -1.577) 11.356 11.180 ( -8.262 1.888 -7.138) 11.080 11.688 ( 2.081 7.992 16.079) 18.076 11.900 ( -4.181 9.354 20.216) 22.665 12.628 ( 3.671 -5.866 5.333) 8.737 12.906 ( -6.142 -6.786 0.226) 9.155 15.012 ( 17.022 15.550 -14.172) 27.063 15.999 ( 34.729 2.762 23.067) 41.783 16.048 ( 36.617 -2.118 13.546) 39.100 16.405 ( -27.841 7.487 -20.417) 35.327 17.799 ( -19.724 -1.510 11.214) 22.739 17.894 ( -17.835 -10.389 4.283) 21.080 17.916 ( 1.252 -24.134 1.350) 24.204 18.043 ( -4.629 -13.930 2.925) 14.968 20.730 ( 2.139 10.563 -10.402) 14.979 20.800 ( 12.385 3.409 -1.165) 12.898 20.879 ( -1.726 10.723 -3.780) 11.500 21.270 ( -3.813 1.259 -2.136) 4.549 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 15.284 -1.999 -0.505) 15.423 2.377 ( 10.730 -10.085 3.644) 15.170 2.711 ( -6.451 0.232 -3.303) 7.251 2.814 ( -10.088 -7.395 -2.781) 12.813 2.848 ( 5.316 -6.907 -2.298) 9.013 2.974 ( -2.424 -3.526 -1.004) 4.395 3.048 ( 0.547 -6.422 1.369) 6.589 3.162 ( -4.350 0.753 1.116) 4.554 3.238 ( -3.463 -1.185 2.994) 4.728 3.320 ( -9.649 1.290 -0.957) 9.782 3.764 ( 3.021 -7.539 -1.359) 8.234 3.827 ( -3.489 -6.044 -0.622) 7.006 4.293 ( 3.310 16.766 -1.289) 17.138 4.336 ( -0.979 19.536 0.921) 19.582 4.876 ( 21.390 2.820 -7.117) 22.718 5.002 ( 24.425 8.270 -0.891) 25.802 5.113 ( -4.431 -0.348 5.154) 6.806 5.448 ( 2.661 3.800 -0.524) 4.668 5.459 ( 4.267 1.825 -3.614) 5.882 5.509 ( -12.985 6.143 0.017) 14.365 5.785 ( -2.111 -1.520 -0.542) 2.657 5.840 ( -3.389 -3.411 -0.422) 4.826 5.988 ( 9.639 2.822 -7.775) 12.702 6.216 ( -14.492 3.029 -20.828) 25.554 6.567 ( 8.107 -1.303 4.135) 9.193 6.672 ( 6.502 -1.875 1.193) 6.872 6.741 ( -7.573 -3.779 -0.387) 8.472 6.908 ( -13.220 1.718 5.411) 14.387 7.557 ( 6.386 -8.561 6.473) 12.489 7.633 ( -0.561 -8.958 5.782) 10.677 7.776 ( 3.756 -6.435 5.207) 9.090 7.856 ( -4.706 -9.343 6.521) 12.327 8.192 ( 11.238 12.583 3.202) 17.172 8.415 ( -11.916 10.683 1.694) 16.093 8.738 ( 12.742 5.523 1.431) 13.961 8.977 ( -11.452 3.464 -0.107) 11.965 9.243 ( 4.415 0.825 4.875) 6.628 9.340 ( -5.518 3.973 4.740) 8.288 10.015 ( 11.785 -1.394 -12.010) 16.884 10.246 ( -12.025 1.143 -9.879) 15.605 10.351 ( 15.133 -7.670 2.960) 17.222 10.624 ( -11.712 -10.883 1.235) 16.035 10.807 ( 9.873 -1.612 -7.864) 12.724 11.004 ( -9.872 -0.239 -7.520) 12.412 11.755 ( 4.227 8.297 16.110) 18.608 11.832 ( -3.527 8.089 16.981) 19.137 12.702 ( 4.163 -5.870 3.896) 8.183 12.793 ( -5.330 -6.126 2.003) 8.364 15.391 ( 22.021 13.720 -17.380) 31.229 15.858 ( -26.018 10.472 -19.318) 34.056 16.690 ( 34.695 1.605 21.341) 40.765 16.773 ( 35.812 -2.758 11.675) 37.768 17.317 ( -29.149 0.878 17.523) 34.022 17.417 ( -29.683 -3.843 9.771) 31.485 17.951 ( 2.049 -24.096 0.620) 24.191 17.992 ( -2.116 -21.939 0.637) 22.050 20.779 ( 2.754 10.796 -9.157) 14.421 20.831 ( -2.504 10.794 -6.737) 12.968 21.020 ( 9.547 2.382 -2.740) 10.214 21.173 ( -6.348 1.648 -2.881) 7.163 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 28.851 3.715) 29.089 1.579 ( 0.000 28.410 12.359) 30.982 2.513 ( 0.000 -19.923 -0.082) 19.923 2.611 ( 0.000 -16.590 4.719) 17.248 2.789 ( 0.000 42.502 23.822) 48.723 3.281 ( 0.000 2.079 -7.908) 8.177 3.285 ( 0.000 1.342 -4.953) 5.132 3.326 ( 0.000 0.210 -5.293) 5.297 3.494 ( 0.000 3.206 2.210) 3.894 3.856 ( 0.000 2.060 -7.789) 8.057 3.897 ( 0.000 -5.154 -0.141) 5.156 3.922 ( 0.000 5.388 7.924) 9.582 4.105 ( 0.000 -6.501 2.064) 6.821 4.295 ( 0.000 -6.403 -0.210) 6.406 4.419 ( 0.000 -7.065 -16.791) 18.217 4.433 ( 0.000 -14.567 12.004) 18.876 4.761 ( 0.000 7.002 -7.061) 9.944 4.788 ( 0.000 9.171 -5.925) 10.918 5.193 ( 0.000 -0.096 -1.525) 1.528 5.194 ( 0.000 20.917 2.977) 21.128 5.405 ( 0.000 19.426 5.067) 20.076 5.701 ( 0.000 -3.554 11.424) 11.964 6.155 ( 0.000 -19.011 -3.244) 19.286 6.472 ( 0.000 4.119 1.614) 4.424 6.618 ( 0.000 -3.591 -3.347) 4.909 6.782 ( 0.000 -16.149 1.569) 16.225 6.819 ( 0.000 5.041 9.798) 11.019 7.090 ( 0.000 -12.130 6.987) 13.998 7.420 ( 0.000 1.753 -4.867) 5.173 7.562 ( 0.000 -3.745 -8.799) 9.563 7.616 ( 0.000 2.621 -3.642) 4.487 7.746 ( 0.000 -1.961 -4.689) 5.083 7.894 ( 0.000 0.023 -1.369) 1.369 7.964 ( 0.000 -2.472 3.107) 3.971 8.515 ( 0.000 12.780 5.114) 13.765 9.028 ( 0.000 -8.000 1.169) 8.085 9.390 ( 0.000 -1.958 -0.376) 1.994 9.393 ( 0.000 -1.582 -1.122) 1.940 9.699 ( 0.000 5.172 6.374) 8.208 9.856 ( 0.000 0.972 -1.513) 1.798 10.334 ( 0.000 0.728 -4.912) 4.965 10.475 ( 0.000 -3.418 -9.817) 10.394 11.173 ( 0.000 5.278 -5.179) 7.395 11.402 ( 0.000 -3.757 -7.665) 8.537 11.853 ( 0.000 9.567 10.096) 13.909 12.314 ( 0.000 -10.067 7.406) 12.498 12.682 ( 0.000 -0.792 11.025) 11.054 12.837 ( 0.000 -5.737 2.018) 6.082 14.553 ( 0.000 1.812 14.999) 15.108 14.634 ( 0.000 -1.757 15.262) 15.363 15.373 ( 0.000 36.546 4.603) 36.834 17.107 ( 0.000 -41.661 1.928) 41.705 17.892 ( 0.000 0.074 -7.187) 7.188 17.895 ( 0.000 -0.097 -7.082) 7.083 18.078 ( 0.000 3.382 -24.029) 24.266 18.234 ( 0.000 -3.529 -17.115) 17.475 20.346 ( 0.000 9.139 15.910) 18.348 20.732 ( 0.000 -7.533 9.809) 12.368 21.173 ( 0.000 10.023 0.186) 10.025 21.378 ( 0.000 -0.505 0.483) 0.699 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 11.071 25.131 3.055) 27.631 1.686 ( 9.932 26.251 10.388) 29.928 2.538 ( 1.812 -18.874 -0.612) 18.971 2.651 ( 3.445 -17.516 5.473) 18.671 2.945 ( 14.371 35.039 15.874) 41.064 3.192 ( -6.407 2.854 -5.546) 8.941 3.277 ( -4.229 -0.627 -5.579) 7.029 3.326 ( -0.905 1.072 -3.378) 3.658 3.469 ( -0.060 3.101 3.769) 4.881 3.760 ( -8.387 3.737 1.049) 9.241 3.825 ( -6.735 -3.299 0.208) 7.503 3.895 ( -2.167 -2.041 1.824) 3.492 4.073 ( -4.875 -3.718 -1.945) 6.432 4.278 ( 0.164 -2.761 -6.062) 6.663 4.440 ( 2.363 -4.436 -17.811) 18.507 4.569 ( 11.842 -9.065 10.211) 18.074 4.744 ( 1.698 4.579 -4.441) 6.602 4.875 ( 7.534 2.726 1.103) 8.087 5.217 ( 3.201 2.781 -0.164) 4.243 5.278 ( 7.603 17.623 2.937) 19.417 5.393 ( -1.205 21.417 5.858) 22.237 5.708 ( 0.758 -8.291 8.806) 12.118 6.198 ( 3.731 -12.994 -2.120) 13.684 6.410 ( -4.125 0.364 3.303) 5.297 6.588 ( -2.116 -3.634 -3.822) 5.682 6.781 ( 1.248 -5.419 2.198) 5.979 6.935 ( 7.965 -5.066 10.465) 14.094 7.126 ( 2.708 -11.526 8.005) 14.292 7.374 ( -6.113 3.571 -10.847) 12.953 7.502 ( -4.962 -1.184 -11.346) 12.440 7.639 ( 4.124 3.920 -0.248) 5.695 7.817 ( 4.415 0.604 -1.693) 4.767 7.870 ( 0.387 2.660 1.777) 3.223 8.197 ( 16.893 -7.733 -1.013) 18.606 8.583 ( 8.822 6.767 2.500) 11.396 9.042 ( 1.548 -8.164 1.033) 8.373 9.244 ( -10.275 1.754 -0.561) 10.439 9.373 ( -4.548 -4.694 0.832) 6.589 9.732 ( 2.727 6.257 6.449) 9.390 9.923 ( 5.513 1.352 -3.168) 6.501 10.326 ( -0.592 -0.255 -4.290) 4.338 10.490 ( 1.182 -4.759 -10.398) 11.496 11.113 ( -5.880 5.816 -4.318) 9.330 11.373 ( -3.095 -4.295 -7.333) 9.044 11.856 ( 0.376 10.376 10.386) 14.686 12.334 ( 2.040 -10.217 7.266) 12.703 12.519 ( -12.268 7.096 11.986) 18.561 12.862 ( -0.336 -9.650 1.958) 9.853 14.696 ( 14.114 3.964 11.338) 18.533 14.818 ( 18.376 -2.232 14.660) 23.613 15.439 ( 7.087 34.030 7.060) 35.470 17.122 ( 1.589 -41.076 1.926) 41.152 17.576 ( -23.082 3.378 -17.334) 29.063 17.772 ( -9.318 -7.044 -8.385) 14.379 18.190 ( 2.687 1.609 -8.146) 8.728 18.278 ( 0.986 -2.301 -8.858) 9.205 20.439 ( 8.940 8.410 11.086) 16.539 20.759 ( 2.628 -4.388 4.439) 6.772 21.165 ( -0.804 10.024 -0.244) 10.059 21.369 ( -0.948 -0.419 0.032) 1.037 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 14.387 16.580 2.082) 22.050 1.916 ( 12.989 21.456 7.739) 26.248 2.558 ( -0.001 -15.356 -2.077) 15.496 2.709 ( 1.448 -12.294 6.256) 13.870 3.062 ( -5.093 -0.817 -5.205) 7.328 3.109 ( -6.370 0.534 -1.366) 6.537 3.151 ( -6.325 -2.277 -2.471) 7.162 3.263 ( -4.183 -2.472 0.398) 4.875 3.540 ( 2.132 7.625 2.564) 8.322 3.610 ( -7.240 4.113 -3.494) 9.030 3.740 ( 1.243 1.230 3.082) 3.544 3.789 ( -8.797 -5.648 -0.302) 10.458 3.986 ( 5.032 8.684 8.679) 13.269 4.389 ( 11.139 3.928 -14.199) 18.469 4.504 ( 4.164 1.096 -18.313) 18.812 4.787 ( 7.340 9.107 2.400) 11.941 4.877 ( 12.628 -6.697 4.930) 15.120 5.065 ( 11.203 -6.373 3.225) 13.286 5.320 ( 4.328 14.809 3.980) 15.934 5.401 ( 7.306 6.817 7.620) 12.566 5.442 ( 7.497 10.498 2.694) 13.179 5.731 ( 1.682 -9.838 5.215) 11.261 6.262 ( 1.847 -2.777 -0.440) 3.364 6.361 ( -0.321 -1.606 4.436) 4.729 6.554 ( -1.659 -1.359 -4.956) 5.400 6.827 ( 1.922 -2.635 -1.250) 3.493 6.939 ( -10.762 -2.896 -4.653) 12.078 7.154 ( -1.727 -12.270 5.703) 13.641 7.299 ( 2.301 0.703 -1.244) 2.709 7.416 ( -1.873 -2.811 -4.568) 5.681 7.654 ( -2.695 0.821 2.626) 3.851 7.833 ( -2.822 -7.172 6.788) 10.270 8.050 ( 15.887 18.745 -3.353) 24.799 8.427 ( 8.248 3.469 3.090) 9.466 8.887 ( 17.846 -7.956 -3.744) 19.894 9.029 ( -10.871 4.340 0.634) 11.722 9.105 ( 5.483 -8.979 -1.207) 10.590 9.265 ( -4.906 -7.349 2.279) 9.125 9.771 ( 0.406 8.967 5.520) 10.538 10.029 ( 5.168 3.802 -5.207) 8.263 10.333 ( 1.719 -4.972 -2.131) 5.675 10.503 ( -0.097 -7.000 -11.492) 13.456 10.962 ( -9.343 6.438 -2.279) 11.573 11.280 ( -6.528 -5.474 -6.388) 10.649 11.873 ( 1.602 12.189 10.911) 16.438 12.297 ( -9.754 13.170 12.935) 20.879 12.387 ( 3.262 -10.504 6.852) 12.959 12.811 ( -4.389 -11.490 1.781) 12.428 15.049 ( 20.494 12.193 -0.424) 23.851 15.307 ( 31.029 -3.412 12.943) 33.793 15.669 ( 17.545 24.302 15.614) 33.797 17.099 ( -25.252 7.937 -18.675) 32.395 17.168 ( 3.081 -39.260 2.030) 39.433 17.599 ( -8.320 -17.368 -7.840) 20.793 18.124 ( -9.360 1.435 3.906) 10.243 18.201 ( -9.258 -2.032 2.216) 9.733 20.654 ( 12.263 6.519 2.943) 14.196 20.826 ( 4.068 1.244 -3.480) 5.496 21.142 ( -1.551 9.985 -1.457) 10.209 21.341 ( -1.983 -0.257 -1.027) 2.248 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 11.331 7.621 2.275) 13.844 2.151 ( 10.080 12.690 5.735) 17.191 2.533 ( -1.763 -12.579 -2.064) 12.868 2.725 ( 0.751 -9.453 0.314) 9.488 2.898 ( -10.347 -1.561 1.416) 10.560 2.978 ( -8.496 -4.225 -0.191) 9.490 3.010 ( -4.968 -4.581 -3.101) 7.435 3.135 ( -6.645 -13.241 3.811) 15.297 3.451 ( -6.801 7.823 -4.213) 11.190 3.509 ( -6.316 0.946 -1.958) 6.680 3.616 ( -3.748 -3.483 -5.683) 7.647 3.742 ( -2.104 -6.191 -1.107) 6.632 4.385 ( 24.507 21.753 6.984) 33.505 4.593 ( 7.672 6.718 -13.320) 16.775 4.689 ( 17.487 2.695 -11.754) 21.242 4.872 ( 2.992 14.659 0.401) 14.966 5.078 ( 5.698 -4.174 8.153) 10.787 5.298 ( 12.710 0.254 -0.005) 12.712 5.411 ( 7.294 9.666 1.183) 12.167 5.562 ( 5.351 2.273 1.742) 6.069 5.656 ( 15.258 -4.511 7.808) 17.723 5.767 ( 1.589 -6.697 3.735) 7.830 6.206 ( -9.870 8.194 0.125) 12.829 6.414 ( 5.796 -0.669 5.160) 7.788 6.516 ( -2.935 -1.491 -9.239) 9.808 6.624 ( -16.261 1.327 -15.109) 22.236 6.805 ( -5.259 -3.333 -6.854) 9.260 7.058 ( -7.252 -10.780 3.265) 13.396 7.370 ( 3.420 -1.324 7.042) 7.940 7.452 ( 3.531 -4.429 7.966) 9.774 7.603 ( -1.402 -3.442 5.814) 6.901 7.753 ( -4.745 -8.362 8.849) 13.067 8.319 ( 10.339 19.265 -0.886) 21.882 8.618 ( 12.182 5.622 1.275) 13.477 8.820 ( -10.117 7.528 1.778) 12.735 9.095 ( 0.840 -4.834 0.544) 4.937 9.114 ( 0.823 -4.319 2.763) 5.192 9.433 ( 17.876 -12.548 -7.178) 22.990 9.721 ( -4.930 8.697 1.248) 10.075 10.143 ( 7.289 4.881 -2.143) 9.031 10.333 ( -4.613 -10.696 -5.511) 12.887 10.535 ( 5.689 -6.152 -7.454) 11.215 10.764 ( -10.799 5.638 -0.146) 12.183 11.123 ( -9.492 -6.554 -5.253) 12.674 11.920 ( 3.120 13.410 11.067) 17.665 12.150 ( -5.652 13.977 12.237) 19.417 12.455 ( 3.672 -10.614 6.154) 12.807 12.713 ( -5.387 -11.608 2.471) 13.033 15.431 ( 18.639 22.661 -12.249) 31.796 15.964 ( 35.208 -5.028 9.867) 36.908 16.132 ( 29.504 10.450 22.907) 38.786 16.625 ( -23.013 13.706 -17.577) 32.037 17.240 ( 4.404 -35.574 2.688) 35.947 17.440 ( -8.762 -24.657 -7.589) 27.246 17.840 ( -19.593 1.582 11.948) 23.003 17.931 ( -17.953 -2.685 10.063) 20.755 20.884 ( 10.912 4.283 -2.146) 11.917 20.909 ( 4.405 5.434 -6.909) 9.832 21.105 ( -2.242 9.753 -3.205) 10.508 21.289 ( -3.421 0.071 -2.286) 4.115 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 5.103 -0.307 3.094) 5.976 2.267 ( 1.807 -0.330 4.357) 4.729 2.540 ( 2.813 -13.853 -1.259) 14.192 2.653 ( -7.867 -12.081 -3.947) 14.948 2.787 ( -0.071 1.994 0.845) 2.167 2.854 ( -5.372 -1.351 1.399) 5.713 2.957 ( 3.485 -4.170 3.393) 6.407 3.053 ( -4.541 -6.364 2.369) 8.169 3.351 ( -2.486 6.030 -4.573) 7.966 3.379 ( -5.009 5.559 -2.646) 7.937 3.624 ( 2.780 -7.115 -4.929) 9.092 3.689 ( -3.382 -7.245 -2.875) 8.496 4.632 ( 6.224 14.911 -3.911) 16.624 4.728 ( -2.319 15.919 -0.590) 16.098 4.904 ( 11.953 -0.207 -9.689) 15.388 5.084 ( -5.007 -3.024 1.939) 6.163 5.246 ( 29.863 14.420 -0.325) 33.164 5.510 ( 7.386 3.401 -0.548) 8.150 5.542 ( 4.149 5.676 0.307) 7.038 5.665 ( 3.977 2.801 3.638) 6.074 5.763 ( -2.987 -2.450 1.975) 4.339 5.815 ( -16.656 6.778 -4.451) 18.524 5.982 ( 7.727 -4.224 -0.654) 8.830 6.248 ( -16.269 -1.139 -15.947) 22.810 6.547 ( 5.243 -0.370 -2.707) 5.912 6.617 ( 8.656 -2.953 0.515) 9.161 6.678 ( -5.392 -1.744 -5.123) 7.639 6.866 ( -12.279 -6.339 5.236) 14.778 7.434 ( 3.122 -2.231 10.700) 11.368 7.480 ( -1.072 -3.615 10.955) 11.586 7.616 ( 2.425 -7.822 7.443) 11.067 7.673 ( -3.402 -8.446 8.289) 12.313 8.480 ( 7.585 14.427 1.874) 16.407 8.636 ( -8.667 10.544 2.285) 13.839 8.845 ( 9.543 1.998 -0.224) 9.753 8.990 ( -6.151 -3.637 0.793) 7.190 9.274 ( 10.771 4.562 1.824) 11.839 9.494 ( -10.299 11.603 -0.407) 15.520 9.850 ( 16.725 -14.863 -8.480) 23.928 10.145 ( -12.698 -13.495 -8.927) 20.568 10.326 ( 10.185 6.330 1.240) 12.055 10.540 ( -11.186 5.522 1.613) 12.578 10.711 ( 10.225 -7.493 -4.855) 13.574 10.922 ( -11.006 -7.294 -4.632) 13.993 11.988 ( 3.754 13.435 11.002) 17.766 12.062 ( -3.943 13.418 11.349) 18.011 12.529 ( 4.003 -10.717 5.063) 12.510 12.613 ( -4.769 -11.098 3.706) 12.635 15.787 ( 18.801 23.893 -15.697) 34.216 16.166 ( -19.896 18.952 -16.265) 31.931 16.665 ( 31.158 -8.236 4.469) 32.536 16.742 ( 31.234 2.689 20.199) 37.294 17.203 ( -17.731 -18.991 -3.296) 26.189 17.299 ( -9.536 -13.843 11.680) 20.469 17.428 ( -10.954 -12.469 10.959) 19.889 17.575 ( -15.603 -12.563 11.776) 23.237 20.987 ( 3.778 7.941 -6.905) 11.180 21.049 ( -1.258 8.396 -5.475) 10.102 21.076 ( 6.473 3.015 -3.461) 7.935 21.204 ( -5.495 0.817 -3.355) 6.490 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 -16.871 -0.898) 16.895 1.986 ( 0.000 16.871 -0.898) 16.895 2.184 ( 0.000 -15.948 8.739) 18.185 2.184 ( 0.000 15.948 8.739) 18.185 3.273 ( 0.000 -1.841 -6.752) 6.999 3.273 ( 0.000 1.841 -6.752) 6.999 3.365 ( 0.000 -1.983 -2.551) 3.232 3.365 ( 0.000 1.983 -2.551) 3.232 3.760 ( 0.000 -16.778 4.713) 17.428 3.760 ( 0.000 16.778 4.713) 17.428 3.912 ( 0.000 -13.161 11.315) 17.357 3.912 ( 0.000 13.161 11.315) 17.357 4.039 ( 0.000 -7.256 6.690) 9.870 4.039 ( 0.000 7.256 6.690) 9.870 4.307 ( 0.000 -2.834 -14.447) 14.723 4.307 ( 0.000 2.834 -14.447) 14.723 4.859 ( 0.000 -1.818 -7.471) 7.689 4.859 ( 0.000 1.818 -7.471) 7.689 5.279 ( 0.000 -8.563 6.225) 10.587 5.279 ( 0.000 8.563 6.225) 10.587 5.702 ( 0.000 -23.455 0.551) 23.461 5.702 ( 0.000 23.455 0.551) 23.461 6.212 ( 0.000 -32.411 7.643) 33.300 6.212 ( 0.000 32.411 7.643) 33.300 6.561 ( 0.000 -4.370 -5.834) 7.290 6.561 ( 0.000 4.370 -5.834) 7.290 6.930 ( 0.000 -5.725 11.310) 12.676 6.930 ( 0.000 5.725 11.310) 12.676 7.479 ( 0.000 -3.651 -7.473) 8.317 7.479 ( 0.000 3.651 -7.473) 8.317 7.687 ( 0.000 -3.479 -3.654) 5.045 7.687 ( 0.000 3.479 -3.654) 5.045 7.916 ( 0.000 -1.927 0.489) 1.988 7.916 ( 0.000 1.927 0.489) 1.988 8.798 ( 0.000 -13.527 2.273) 13.717 8.798 ( 0.000 13.527 2.273) 13.717 9.371 ( 0.000 -0.222 -0.576) 0.617 9.371 ( 0.000 0.222 -0.576) 0.617 9.808 ( 0.000 -4.788 4.593) 6.635 9.808 ( 0.000 4.788 4.593) 6.635 10.391 ( 0.000 -4.191 -8.432) 9.416 10.391 ( 0.000 4.191 -8.432) 9.416 11.295 ( 0.000 -6.086 -6.612) 8.986 11.295 ( 0.000 6.086 -6.612) 8.986 12.082 ( 0.000 -11.860 8.420) 14.545 12.082 ( 0.000 11.860 8.420) 14.545 12.728 ( 0.000 -4.360 5.056) 6.677 12.728 ( 0.000 4.360 5.056) 6.677 14.594 ( 0.000 -2.063 15.146) 15.286 14.594 ( 0.000 2.063 15.146) 15.286 16.213 ( 0.000 -43.540 3.211) 43.659 16.213 ( 0.000 43.540 3.211) 43.659 17.893 ( 0.000 -0.098 -7.136) 7.136 17.893 ( 0.000 0.098 -7.136) 7.136 18.155 ( 0.000 -3.949 -20.833) 21.204 18.155 ( 0.000 3.949 -20.833) 21.204 20.548 ( 0.000 -9.888 13.275) 16.553 20.548 ( 0.000 9.888 13.275) 16.553 21.327 ( 0.000 -4.820 0.385) 4.835 21.327 ( 0.000 4.820 0.385) 4.835 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 6.398 -18.089 -1.158) 19.222 2.056 ( 6.398 18.089 -1.158) 19.222 2.240 ( 5.373 -17.573 7.892) 19.999 2.240 ( 5.373 17.573 7.892) 19.999 3.231 ( -4.731 -2.183 -4.819) 7.098 3.231 ( -4.731 2.183 -4.819) 7.098 3.316 ( -5.491 -2.049 -4.472) 7.371 3.316 ( -5.491 2.049 -4.472) 7.371 3.728 ( -3.204 -7.975 0.552) 8.613 3.728 ( -3.204 7.975 0.552) 8.613 3.863 ( -5.570 -2.318 6.730) 9.038 3.863 ( -5.570 2.318 6.730) 9.038 4.115 ( 9.020 -14.748 11.949) 21.015 4.115 ( 9.020 14.748 11.949) 21.015 4.365 ( 6.444 -2.371 -14.287) 15.851 4.365 ( 6.444 2.371 -14.287) 15.851 4.855 ( 1.089 -4.429 -3.988) 6.058 4.855 ( 1.089 4.429 -3.988) 6.058 5.340 ( 5.475 -8.569 5.588) 11.603 5.340 ( 5.475 8.569 5.588) 11.603 5.688 ( -1.673 -14.810 0.966) 14.936 5.688 ( -1.673 14.810 0.966) 14.936 6.234 ( 2.048 -20.317 7.948) 21.912 6.234 ( 2.048 20.317 7.948) 21.912 6.565 ( 1.894 -3.763 -6.906) 8.089 6.565 ( 1.894 3.763 -6.906) 8.089 6.971 ( 3.063 -5.034 12.825) 14.114 6.971 ( 3.063 5.034 12.825) 14.114 7.449 ( -5.195 -3.398 -11.881) 13.404 7.449 ( -5.195 3.398 -11.881) 13.404 7.728 ( 2.432 -4.752 0.949) 5.422 7.728 ( 2.432 4.752 0.949) 5.422 8.026 ( 13.201 -8.199 -1.396) 15.603 8.026 ( 13.201 8.199 -1.396) 15.603 8.813 ( 1.773 -12.904 2.255) 13.219 8.813 ( 1.773 12.904 2.255) 13.219 9.292 ( -7.152 -3.050 0.279) 7.780 9.292 ( -7.152 3.050 0.279) 7.780 9.866 ( 5.048 -5.887 3.969) 8.712 9.866 ( 5.048 5.887 3.969) 8.712 10.382 ( -1.040 -5.027 -8.606) 10.021 10.382 ( -1.040 5.027 -8.606) 10.021 11.251 ( -4.486 -6.922 -6.000) 10.200 11.251 ( -4.486 6.922 -6.000) 10.200 12.097 ( 1.551 -12.262 8.377) 14.931 12.097 ( 1.551 12.262 8.377) 14.931 12.677 ( -4.873 -8.289 5.296) 10.977 12.677 ( -4.873 8.289 5.296) 10.977 14.764 ( 17.073 -2.901 13.815) 22.153 14.764 ( 17.073 2.901 13.815) 22.153 16.245 ( 3.357 -42.442 3.656) 42.731 16.245 ( 3.357 42.442 3.656) 42.731 17.657 ( -17.917 -4.555 -13.292) 22.769 17.657 ( -17.917 4.555 -13.292) 22.769 18.230 ( 1.865 -2.253 -8.610) 9.094 18.230 ( 1.865 2.253 -8.610) 9.094 20.619 ( 6.802 -8.441 8.394) 13.710 20.619 ( 6.802 8.441 8.394) 13.710 21.319 ( -0.838 -4.791 -0.022) 4.864 21.319 ( -0.838 4.791 -0.022) 4.864 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 6.507 -17.603 -1.843) 18.858 2.190 ( 6.507 17.603 -1.843) 18.858 2.368 ( 6.887 -19.074 7.407) 21.589 2.368 ( 6.887 19.074 7.407) 21.589 3.082 ( -9.479 -2.955 -3.854) 10.650 3.082 ( -9.479 2.955 -3.854) 10.650 3.151 ( -11.224 -4.293 -1.267) 12.083 3.151 ( -11.224 4.293 -1.267) 12.083 3.649 ( -5.159 -3.781 -3.834) 7.458 3.649 ( -5.159 3.781 -3.834) 7.458 3.727 ( -6.795 -2.335 0.846) 7.235 3.727 ( -6.795 2.335 0.846) 7.235 4.382 ( 16.538 -12.797 -2.785) 21.096 4.382 ( 16.538 12.797 -2.785) 21.096 4.558 ( 13.713 -13.610 -1.281) 19.362 4.558 ( 13.713 13.610 -1.281) 19.362 4.940 ( 7.720 -5.826 2.358) 9.955 4.940 ( 7.720 5.826 2.358) 9.955 5.464 ( 6.776 -6.345 4.518) 10.324 5.464 ( 6.776 6.345 4.518) 10.324 5.640 ( -2.585 -4.208 2.482) 5.527 5.640 ( -2.585 4.208 2.482) 5.527 6.292 ( 4.025 -5.039 4.784) 8.030 6.292 ( 4.025 5.039 4.784) 8.030 6.635 ( 3.448 -10.334 -4.910) 11.950 6.635 ( 3.448 10.334 -4.910) 11.950 6.968 ( -5.734 -4.913 1.992) 7.810 6.968 ( -5.734 4.913 1.992) 7.810 7.347 ( -2.074 -3.289 -3.926) 5.526 7.347 ( -2.074 3.289 -3.926) 5.526 7.711 ( -3.707 -4.498 6.171) 8.489 7.711 ( -3.707 4.498 6.171) 8.489 8.373 ( 18.656 -10.539 -3.857) 21.771 8.373 ( 18.656 10.539 -3.857) 21.771 8.887 ( 6.922 -8.696 1.486) 11.213 8.887 ( 6.922 8.696 1.486) 11.213 9.134 ( -8.450 -5.497 1.621) 10.210 9.134 ( -8.450 5.497 1.621) 10.210 9.970 ( 4.764 -8.842 2.550) 10.362 9.970 ( 4.764 8.842 2.550) 10.362 10.352 ( -1.689 -6.435 -8.336) 10.665 10.352 ( -1.689 6.435 -8.336) 10.665 11.127 ( -8.075 -8.567 -4.571) 12.629 11.127 ( -8.075 8.567 -4.571) 12.629 12.141 ( 2.842 -13.021 8.214) 15.656 12.141 ( 2.842 13.021 8.214) 15.656 12.562 ( -6.441 -12.529 5.772) 15.224 12.562 ( -6.441 12.529 5.772) 15.224 15.218 ( 28.524 -5.532 9.545) 30.583 15.218 ( 28.524 5.532 9.545) 30.583 16.345 ( 7.176 -38.616 5.525) 39.664 16.345 ( 7.176 38.616 5.525) 39.664 17.302 ( -17.968 -11.863 -13.847) 25.599 17.302 ( -17.968 11.863 -13.847) 25.599 18.159 ( -9.268 -1.964 3.053) 9.953 18.159 ( -9.268 1.964 3.053) 9.953 20.780 ( 9.035 -4.959 0.401) 10.314 20.780 ( 9.035 4.959 0.401) 10.314 21.294 ( -1.732 -4.658 -1.124) 5.095 21.294 ( -1.732 4.658 -1.124) 5.095 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.657 -11.712 -1.190) 12.068 2.284 ( 2.657 11.712 -1.190) 12.068 2.448 ( 0.099 -15.407 6.216) 16.614 2.448 ( 0.099 15.407 6.216) 16.614 2.923 ( -8.350 -3.746 3.539) 9.812 2.923 ( -8.350 3.746 3.539) 9.812 2.955 ( -3.923 -2.580 -3.236) 5.702 2.955 ( -3.923 2.580 -3.236) 5.702 3.531 ( -5.747 -3.618 -5.583) 8.792 3.531 ( -5.747 3.618 -5.583) 8.792 3.625 ( -4.602 -6.012 -2.965) 8.131 3.625 ( -4.602 6.012 -2.965) 8.131 4.655 ( 11.387 -0.807 -16.825) 20.332 4.655 ( 11.387 0.807 -16.825) 20.332 4.885 ( 15.448 -15.711 6.735) 23.040 4.885 ( 15.448 15.711 6.735) 23.040 5.135 ( 13.510 -12.493 5.598) 19.233 5.135 ( 13.510 12.493 5.598) 19.233 5.561 ( 3.630 -2.602 0.131) 4.468 5.561 ( 3.630 2.602 0.131) 4.468 5.657 ( 4.809 -4.121 6.542) 9.106 5.657 ( 4.809 4.121 6.542) 9.106 6.371 ( 1.992 -4.901 1.864) 5.609 6.371 ( 1.992 4.901 1.864) 5.609 6.572 ( -11.137 -6.475 -6.700) 14.521 6.572 ( -11.137 6.475 -6.700) 14.521 6.824 ( -5.042 -7.134 -7.542) 11.541 6.824 ( -5.042 7.134 -7.542) 11.541 7.383 ( 3.960 -2.395 8.093) 9.323 7.383 ( 3.960 2.395 8.093) 9.323 7.616 ( -5.234 -4.406 9.672) 11.847 7.616 ( -5.234 4.406 9.672) 11.847 8.634 ( 8.142 -7.731 -0.993) 11.272 8.634 ( 8.142 7.731 -0.993) 11.272 8.969 ( -6.850 -6.860 1.641) 9.833 8.969 ( -6.850 6.860 1.641) 9.833 9.139 ( 17.034 -10.301 -1.248) 19.945 9.139 ( 17.034 10.301 -1.248) 19.945 9.991 ( -4.230 -14.678 -1.584) 15.358 9.991 ( -4.230 14.678 -1.584) 15.358 10.365 ( 4.502 -9.023 -4.870) 11.198 10.365 ( 4.502 9.023 -4.870) 11.198 10.946 ( -10.504 -9.867 -3.091) 14.740 10.946 ( -10.504 9.867 -3.091) 14.740 12.203 ( 3.516 -13.476 7.847) 15.986 12.203 ( 3.516 13.476 7.847) 15.986 12.444 ( -5.493 -14.050 6.230) 16.322 12.444 ( -5.493 14.050 6.230) 16.322 15.805 ( 30.239 -11.817 0.695) 32.473 15.805 ( 30.239 11.817 0.695) 32.473 16.534 ( 12.686 -29.010 10.427) 33.335 16.534 ( 12.686 29.010 10.427) 33.335 16.978 ( -15.152 -19.529 -12.531) 27.713 16.978 ( -15.152 19.529 -12.531) 27.713 17.880 ( -19.194 -2.270 11.093) 22.284 17.880 ( -19.194 2.270 11.093) 22.284 20.948 ( 8.024 -1.252 -4.050) 9.075 20.948 ( 8.024 1.252 -4.050) 9.075 21.251 ( -2.808 -4.265 -2.632) 5.744 21.251 ( -2.808 4.265 -2.632) 5.744 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.444 -7.526 2.019) 7.924 2.307 ( 1.444 7.526 2.019) 7.924 2.379 ( -5.466 -10.701 3.658) 12.561 2.379 ( -5.466 10.701 3.658) 12.561 2.863 ( 2.101 -4.414 2.483) 5.483 2.863 ( 2.101 4.414 2.483) 5.483 2.922 ( -2.179 -5.965 0.012) 6.350 2.922 ( -2.179 5.965 0.012) 6.350 3.473 ( 0.423 -6.598 -5.765) 8.772 3.473 ( 0.423 6.598 -5.765) 8.772 3.533 ( -4.711 -7.698 -4.393) 10.037 3.533 ( -4.711 7.698 -4.393) 10.037 4.846 ( 8.573 -5.728 -8.922) 13.635 4.846 ( 8.573 5.728 -8.922) 13.635 4.973 ( -3.568 -7.979 -0.584) 8.760 4.973 ( -3.568 7.979 -0.584) 8.760 5.511 ( 19.782 -7.324 -3.102) 21.321 5.511 ( 19.782 7.324 -3.102) 21.321 5.651 ( 3.102 -2.687 1.062) 4.239 5.651 ( 3.102 2.687 1.062) 4.239 5.762 ( 7.953 -7.814 6.209) 12.761 5.762 ( 7.953 7.814 6.209) 12.761 6.111 ( -22.773 -12.197 -5.507) 26.414 6.111 ( -22.773 12.197 -5.507) 26.414 6.562 ( 7.193 -2.023 -2.268) 7.809 6.562 ( 7.193 2.023 -2.268) 7.809 6.716 ( -7.392 -5.681 -3.229) 9.866 6.716 ( -7.392 5.681 -3.229) 9.866 7.460 ( 3.711 -3.028 10.532) 11.570 7.460 ( 3.711 3.028 10.532) 11.570 7.529 ( -3.735 -3.727 10.846) 12.062 7.529 ( -3.735 3.727 10.846) 12.062 8.747 ( 4.795 -10.318 1.265) 11.448 8.747 ( 4.795 10.318 1.265) 11.448 8.845 ( -5.657 -9.324 2.033) 11.094 8.845 ( -5.657 9.324 2.033) 11.094 9.498 ( 18.241 -15.583 -3.773) 24.286 9.498 ( 18.241 15.583 -3.773) 24.286 9.810 ( -13.444 -16.593 -4.157) 21.757 9.810 ( -13.444 16.593 -4.157) 21.757 10.517 ( 10.190 -10.418 -2.270) 14.749 10.517 ( 10.190 10.418 -2.270) 14.749 10.731 ( -11.436 -10.476 -2.170) 15.660 10.731 ( -11.436 10.476 -2.170) 15.660 12.274 ( 3.768 -13.646 7.300) 15.928 12.274 ( 3.768 13.646 7.300) 15.928 12.351 ( -4.292 -13.938 6.724) 16.060 12.351 ( -4.292 13.938 6.724) 16.060 16.308 ( 20.719 -23.059 -10.514) 32.734 16.308 ( 20.719 23.059 -10.514) 32.734 16.631 ( -12.660 -20.163 -10.526) 26.031 16.631 ( -12.660 20.163 -10.526) 26.031 16.946 ( 21.357 -7.296 16.166) 27.761 16.946 ( 21.357 7.296 16.166) 27.761 17.437 ( -25.823 -3.720 16.637) 30.943 17.437 ( -25.823 3.720 16.637) 30.943 21.084 ( 6.076 -1.601 -5.007) 8.034 21.084 ( 6.076 1.601 -5.007) 8.034 21.183 ( -4.238 -3.348 -4.143) 6.807 21.183 ( -4.238 3.348 -4.143) 6.807 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 0.000 29.474) 29.474 1.332 ( 0.000 0.000 32.427) 32.427 2.253 ( 0.000 0.000 44.401) 44.401 3.006 ( 0.000 0.000 2.976) 2.976 3.044 ( 0.000 0.000 7.295) 7.295 3.063 ( 0.000 0.000 -16.704) 16.704 3.282 ( 0.000 0.000 -14.589) 14.589 3.314 ( 0.000 0.000 2.956) 2.956 3.333 ( 0.000 0.000 -3.002) 3.002 3.717 ( 0.000 0.000 1.997) 1.997 3.774 ( 0.000 0.000 -0.045) 0.045 4.006 ( 0.000 0.000 -1.384) 1.384 4.159 ( 0.000 0.000 -8.633) 8.633 4.278 ( 0.000 0.000 -2.820) 2.820 4.316 ( 0.000 0.000 8.825) 8.825 4.468 ( 0.000 0.000 -10.789) 10.789 4.775 ( 0.000 0.000 7.498) 7.498 4.813 ( 0.000 0.000 9.979) 9.979 4.845 ( 0.000 0.000 12.172) 12.172 5.107 ( 0.000 0.000 -8.460) 8.460 5.137 ( 0.000 0.000 21.228) 21.228 6.114 ( 0.000 0.000 -3.382) 3.382 6.205 ( 0.000 0.000 -16.689) 16.689 6.582 ( 0.000 0.000 -11.578) 11.578 6.677 ( 0.000 0.000 16.970) 16.970 6.692 ( 0.000 0.000 -1.100) 1.100 6.842 ( 0.000 0.000 8.169) 8.169 7.130 ( 0.000 0.000 -13.918) 13.918 7.372 ( 0.000 0.000 -20.234) 20.234 7.386 ( 0.000 0.000 -8.937) 8.937 7.614 ( 0.000 0.000 2.524) 2.524 7.922 ( 0.000 0.000 -1.990) 1.990 8.002 ( 0.000 0.000 4.125) 4.125 8.194 ( 0.000 0.000 20.006) 20.006 8.571 ( 0.000 0.000 17.499) 17.499 9.159 ( 0.000 0.000 2.630) 2.630 9.305 ( 0.000 0.000 -12.334) 12.334 9.391 ( 0.000 0.000 -3.459) 3.459 9.558 ( 0.000 0.000 -4.299) 4.299 9.773 ( 0.000 0.000 13.234) 13.234 10.272 ( 0.000 0.000 -14.759) 14.759 10.294 ( 0.000 0.000 -1.488) 1.488 10.952 ( 0.000 0.000 -8.826) 8.826 11.305 ( 0.000 0.000 -7.729) 7.729 11.914 ( 0.000 0.000 13.195) 13.195 12.710 ( 0.000 0.000 10.356) 10.356 12.975 ( 0.000 0.000 -2.121) 2.121 13.193 ( 0.000 0.000 0.999) 0.999 14.714 ( 0.000 0.000 12.563) 12.563 14.922 ( 0.000 0.000 26.631) 26.631 15.095 ( 0.000 0.000 26.575) 26.575 17.368 ( 0.000 0.000 -35.042) 35.042 17.677 ( 0.000 0.000 -14.836) 14.836 17.692 ( 0.000 0.000 -14.182) 14.182 18.185 ( 0.000 0.000 0.986) 0.986 18.296 ( 0.000 0.000 -0.831) 0.831 20.523 ( 0.000 0.000 19.383) 19.383 20.809 ( 0.000 0.000 -0.274) 0.274 20.820 ( 0.000 0.000 -0.141) 0.141 21.334 ( 0.000 0.000 -1.107) 1.107 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.018 0.000 26.978) 28.145 1.480 ( 14.415 0.000 27.701) 31.228 2.520 ( 24.591 0.000 35.802) 43.434 2.966 ( -4.248 0.000 0.670) 4.301 3.054 ( -1.871 0.000 -13.928) 14.053 3.073 ( 2.762 0.000 6.463) 7.028 3.223 ( -5.061 0.000 1.209) 5.203 3.313 ( 2.034 0.000 -12.187) 12.355 3.344 ( -0.237 0.000 -2.977) 2.986 3.702 ( -1.392 0.000 3.109) 3.406 3.776 ( -0.851 0.000 -4.875) 4.949 4.000 ( -1.703 0.000 5.255) 5.524 4.150 ( -1.404 0.000 -6.283) 6.438 4.181 ( -7.707 0.000 4.365) 8.858 4.196 ( -7.576 0.000 -4.024) 8.578 4.353 ( -7.556 0.000 -6.011) 9.656 4.862 ( 3.809 0.000 -1.647) 4.150 4.920 ( 7.066 0.000 11.064) 13.128 4.935 ( 12.666 0.000 6.411) 14.196 5.182 ( 6.801 0.000 -0.785) 6.846 5.282 ( 12.779 0.000 18.574) 22.545 5.968 ( -5.957 0.000 -7.569) 9.632 6.353 ( 1.072 0.000 -9.449) 9.510 6.541 ( -5.196 0.000 6.263) 8.137 6.629 ( 6.169 0.000 -9.525) 11.348 6.833 ( -3.340 0.000 -1.399) 3.621 6.935 ( 8.921 0.000 2.884) 9.375 7.013 ( -2.948 0.000 -8.811) 9.291 7.344 ( -2.398 0.000 -14.686) 14.881 7.384 ( 1.894 0.000 -4.461) 4.846 7.642 ( 2.149 0.000 3.577) 4.173 7.768 ( -7.589 0.000 11.016) 13.377 8.032 ( 8.637 0.000 -0.529) 8.653 8.493 ( 7.248 0.000 12.576) 14.515 8.692 ( 18.804 0.000 5.557) 19.608 9.084 ( -14.616 0.000 -9.262) 17.304 9.173 ( 1.543 0.000 3.359) 3.697 9.492 ( 2.693 0.000 -5.294) 5.940 9.563 ( 0.287 0.000 -1.504) 1.531 9.811 ( 4.121 0.000 11.146) 11.883 10.269 ( 0.677 0.000 -9.214) 9.239 10.333 ( 2.810 0.000 -8.029) 8.506 10.924 ( -2.422 0.000 -7.868) 8.232 11.275 ( -3.160 0.000 -7.243) 7.902 11.909 ( -0.378 0.000 13.615) 13.621 12.719 ( -1.173 0.000 10.317) 10.384 12.783 ( -14.237 0.000 10.980) 17.979 13.143 ( -3.821 0.000 -1.983) 4.305 14.545 ( -7.706 0.000 9.083) 11.912 15.269 ( 25.882 0.000 27.487) 37.755 15.281 ( 18.644 0.000 26.244) 32.192 16.973 ( -28.004 0.000 -30.904) 41.705 17.922 ( 18.326 0.000 -17.044) 25.027 17.940 ( 14.185 0.000 -14.428) 20.233 18.188 ( 0.339 0.000 0.839) 0.905 18.294 ( -0.179 0.000 -0.728) 0.749 20.547 ( 2.585 0.000 16.287) 16.491 20.654 ( -14.162 0.000 0.915) 14.191 20.785 ( -2.418 0.000 -1.259) 2.726 21.319 ( -1.509 0.000 -1.517) 2.139 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 14.442 0.000 16.939) 22.260 1.841 ( 21.580 0.000 18.951) 28.720 2.851 ( -6.220 0.000 2.792) 6.818 2.930 ( -0.915 0.000 -3.758) 3.868 3.088 ( 15.893 0.000 10.875) 19.257 3.131 ( 2.471 0.000 5.252) 5.804 3.200 ( 2.655 0.000 -5.096) 5.746 3.292 ( -5.032 0.000 -3.365) 6.053 3.305 ( -0.462 0.000 0.217) 0.510 3.676 ( -9.704 0.000 -6.416) 11.633 3.691 ( 1.266 0.000 3.043) 3.296 3.987 ( 2.595 0.000 3.265) 4.171 4.045 ( -7.293 0.000 -3.374) 8.035 4.100 ( 1.178 0.000 -5.992) 6.107 4.162 ( 0.508 0.000 -2.358) 2.412 4.216 ( -5.900 0.000 -8.825) 10.615 4.963 ( 7.153 0.000 -6.900) 9.938 5.109 ( 12.018 0.000 13.209) 17.858 5.167 ( 10.724 0.000 6.373) 12.475 5.379 ( 13.490 0.000 9.392) 16.437 5.555 ( 14.012 0.000 13.296) 19.316 5.889 ( -3.042 0.000 -7.231) 7.845 6.219 ( -12.688 0.000 -11.228) 16.942 6.438 ( -14.155 0.000 -11.667) 18.343 6.533 ( -10.254 0.000 -5.329) 11.555 6.728 ( 2.418 0.000 0.550) 2.480 7.070 ( 0.623 0.000 -0.627) 0.884 7.097 ( 3.691 0.000 -6.739) 7.684 7.327 ( 2.869 0.000 -2.103) 3.557 7.517 ( 11.773 0.000 5.675) 13.069 7.682 ( 4.164 0.000 6.355) 7.598 7.786 ( 5.911 0.000 2.365) 6.367 8.179 ( 5.644 0.000 2.373) 6.123 8.556 ( 2.783 0.000 14.149) 14.420 8.765 ( -15.277 0.000 -8.274) 17.374 9.102 ( 15.665 0.000 -5.032) 16.454 9.220 ( 3.259 0.000 5.298) 6.220 9.479 ( -2.194 0.000 -4.832) 5.307 9.559 ( -0.935 0.000 4.002) 4.110 9.942 ( 9.611 0.000 7.081) 11.938 10.301 ( 0.932 0.000 -13.473) 13.506 10.373 ( 2.130 0.000 -5.117) 5.543 10.884 ( -1.306 0.000 -7.178) 7.296 11.181 ( -6.672 0.000 -5.806) 8.845 11.909 ( 0.561 0.000 14.816) 14.826 12.459 ( -13.249 0.000 20.707) 24.583 12.774 ( 2.414 0.000 9.010) 9.328 13.059 ( -4.789 0.000 -2.406) 5.359 14.485 ( 1.574 0.000 -0.092) 1.576 15.777 ( 31.421 0.000 25.255) 40.313 15.839 ( 32.374 0.000 29.407) 43.736 16.403 ( -30.072 0.000 -29.484) 42.115 18.104 ( 2.006 0.000 -4.199) 4.654 18.195 ( 6.711 0.000 -8.020) 10.457 18.196 ( 0.515 0.000 0.790) 0.943 18.292 ( -0.148 0.000 -0.367) 0.395 20.398 ( -9.939 0.000 -5.187) 11.211 20.628 ( 5.781 0.000 8.521) 10.297 20.719 ( -4.398 0.000 -4.030) 5.966 21.274 ( -3.164 0.000 -2.609) 4.101 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 16.742 0.000 5.730) 17.696 2.276 ( 22.590 0.000 11.351) 25.282 2.733 ( -5.811 0.000 -2.075) 6.171 2.849 ( -4.893 0.000 -8.223) 9.568 3.043 ( -11.828 0.000 -4.353) 12.604 3.139 ( -1.719 0.000 4.965) 5.254 3.164 ( -6.911 0.000 0.708) 6.947 3.201 ( 2.777 0.000 2.343) 3.633 3.475 ( -10.335 0.000 -3.412) 10.883 3.525 ( 2.881 0.000 10.664) 11.046 3.783 ( 6.247 0.000 -2.205) 6.625 3.937 ( -3.809 0.000 -5.249) 6.485 3.964 ( -2.173 0.000 -3.283) 3.937 4.135 ( -2.853 0.000 -2.642) 3.888 4.235 ( 14.052 0.000 -8.860) 16.612 4.333 ( 18.842 0.000 -9.781) 21.230 5.138 ( 10.510 0.000 -5.234) 11.741 5.326 ( 7.352 0.000 16.406) 17.978 5.385 ( 10.846 0.000 8.467) 13.760 5.589 ( 2.112 0.000 4.928) 5.362 5.763 ( 5.313 0.000 4.313) 6.843 5.835 ( -2.239 0.000 -7.713) 8.031 5.948 ( -9.936 0.000 -4.919) 11.087 6.025 ( -18.814 0.000 -23.156) 29.836 6.538 ( 4.874 0.000 3.296) 5.884 6.737 ( -0.702 0.000 5.195) 5.242 7.013 ( -5.654 0.000 -1.993) 5.995 7.021 ( -8.959 0.000 -6.220) 10.907 7.482 ( 10.824 0.000 1.819) 10.976 7.776 ( 13.567 0.000 10.156) 16.947 7.787 ( 4.868 0.000 4.559) 6.670 7.917 ( 6.983 0.000 0.238) 6.988 8.233 ( -0.199 0.000 5.267) 5.271 8.456 ( -14.604 0.000 -7.980) 16.642 8.652 ( 5.916 0.000 12.249) 13.603 9.184 ( -6.597 0.000 3.060) 7.272 9.295 ( 4.326 0.000 7.651) 8.790 9.524 ( -2.644 0.000 7.928) 8.357 9.563 ( 11.074 0.000 -11.405) 15.896 10.178 ( 14.400 0.000 3.963) 14.936 10.220 ( -8.202 0.000 -13.850) 16.096 10.483 ( 8.185 0.000 -4.306) 9.249 10.863 ( -1.735 0.000 -8.554) 8.728 11.014 ( -10.578 0.000 -3.609) 11.177 11.941 ( 2.979 0.000 16.084) 16.358 12.262 ( -7.746 0.000 20.518) 21.931 12.820 ( 2.201 0.000 7.694) 8.002 12.968 ( -4.244 0.000 -0.210) 4.249 14.605 ( 10.711 0.000 -9.328) 14.203 15.831 ( -28.609 0.000 -26.819) 39.214 16.446 ( 36.421 0.000 23.654) 43.428 16.492 ( 34.307 0.000 28.241) 44.436 18.009 ( -11.602 0.000 7.331) 13.723 18.135 ( -12.698 0.000 7.750) 14.877 18.213 ( 1.111 0.000 0.757) 1.344 18.281 ( -0.947 0.000 0.397) 1.027 20.308 ( 0.338 0.000 -14.232) 14.236 20.619 ( -5.813 0.000 -8.045) 9.925 20.766 ( 8.164 0.000 0.602) 8.186 21.195 ( -5.035 0.000 -3.966) 6.409 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 17.373 0.000 -2.180) 17.509 2.556 ( -14.170 0.000 -6.380) 15.540 2.685 ( 19.005 0.000 5.669) 19.833 2.786 ( 0.388 0.000 -5.157) 5.172 2.858 ( -6.578 0.000 -5.628) 8.657 2.987 ( -11.997 0.000 1.560) 12.098 3.142 ( 3.311 0.000 3.419) 4.760 3.277 ( -9.730 0.000 -0.256) 9.734 3.294 ( 6.793 0.000 8.148) 10.609 3.443 ( -7.665 0.000 10.091) 12.672 3.834 ( 1.276 0.000 -7.416) 7.525 3.870 ( -2.810 0.000 -7.610) 8.112 3.971 ( 2.987 0.000 -2.955) 4.202 4.055 ( -4.915 0.000 -2.602) 5.561 4.715 ( 29.308 0.000 -10.724) 31.208 4.754 ( 23.779 0.000 -12.698) 26.957 5.203 ( -19.903 0.000 -3.441) 20.198 5.250 ( -21.773 0.000 -12.511) 25.111 5.362 ( 7.386 0.000 -1.177) 7.480 5.510 ( -3.913 0.000 4.869) 6.247 5.787 ( 3.851 0.000 -5.794) 6.957 5.873 ( -3.282 0.000 2.329) 4.024 5.876 ( 6.520 0.000 0.185) 6.522 5.943 ( 1.425 0.000 8.363) 8.484 6.685 ( 9.509 0.000 1.340) 9.603 6.733 ( 1.370 0.000 4.706) 4.901 6.831 ( -8.832 0.000 -0.476) 8.845 6.870 ( -8.894 0.000 -0.661) 8.918 7.690 ( 9.849 0.000 1.230) 9.926 7.819 ( -2.436 0.000 3.495) 4.261 8.012 ( 10.528 0.000 9.959) 14.492 8.046 ( 6.584 0.000 -2.230) 6.951 8.173 ( -5.889 0.000 7.949) 9.893 8.204 ( -10.672 0.000 -6.334) 12.410 8.803 ( 9.393 0.000 9.778) 13.558 9.001 ( -10.602 0.000 6.737) 12.561 9.380 ( 4.361 0.000 9.350) 10.317 9.460 ( -3.798 0.000 9.596) 10.321 9.796 ( 12.164 0.000 -11.387) 16.662 10.025 ( -11.361 0.000 -11.697) 16.306 10.478 ( 15.952 0.000 1.457) 16.018 10.652 ( 8.546 0.000 -6.692) 10.854 10.774 ( -14.169 0.000 -1.065) 14.209 10.793 ( -5.639 0.000 -8.488) 10.190 12.023 ( 5.227 0.000 16.727) 17.525 12.133 ( -6.055 0.000 18.067) 19.055 12.858 ( 1.917 0.000 5.821) 6.129 12.901 ( -2.715 0.000 3.012) 4.055 14.891 ( 18.601 0.000 -17.039) 25.226 15.312 ( -24.670 0.000 -22.797) 33.591 17.133 ( 31.184 0.000 24.195) 39.470 17.141 ( 34.475 0.000 21.264) 40.505 17.667 ( -23.253 0.000 17.286) 28.974 17.742 ( -26.730 0.000 17.043) 31.701 18.236 ( 1.223 0.000 0.603) 1.364 18.259 ( -1.211 0.000 0.482) 1.303 20.376 ( 5.647 0.000 -15.874) 16.848 20.498 ( -6.553 0.000 -12.528) 14.138 20.929 ( 8.376 0.000 -3.808) 9.200 21.079 ( -6.972 0.000 -4.800) 8.465 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 4.795 26.075) 26.512 1.479 ( 0.000 15.843 24.984) 29.583 2.596 ( 0.000 25.527 30.736) 39.954 2.820 ( 0.000 -15.221 -6.575) 16.580 3.022 ( 0.000 0.259 12.245) 12.247 3.146 ( 0.000 2.189 -0.776) 2.323 3.202 ( 0.000 -2.086 -9.272) 9.504 3.226 ( 0.000 -4.301 -0.524) 4.333 3.441 ( 0.000 5.951 -14.049) 15.258 3.582 ( 0.000 -7.153 -0.828) 7.200 3.883 ( 0.000 3.283 -1.623) 3.662 3.984 ( 0.000 -1.938 -3.942) 4.393 4.194 ( 0.000 -4.838 -4.561) 6.648 4.227 ( 0.000 -4.861 0.411) 4.879 4.342 ( 0.000 11.107 -4.621) 12.030 4.599 ( 0.000 10.207 3.150) 10.682 4.647 ( 0.000 -6.273 10.355) 12.107 4.901 ( 0.000 6.630 10.230) 12.191 5.075 ( 0.000 11.216 15.748) 19.334 5.091 ( 0.000 0.276 -6.526) 6.532 5.110 ( 0.000 4.560 12.535) 13.338 6.048 ( 0.000 -6.516 -0.023) 6.516 6.195 ( 0.000 -1.655 -14.717) 14.810 6.493 ( 0.000 -6.478 -11.540) 13.234 6.573 ( 0.000 -6.940 9.082) 11.430 6.879 ( 0.000 10.964 -1.580) 11.077 6.948 ( 0.000 7.128 12.328) 14.240 7.126 ( 0.000 -0.229 -14.929) 14.931 7.347 ( 0.000 -1.994 -17.790) 17.901 7.423 ( 0.000 3.109 -9.788) 10.270 7.496 ( 0.000 -11.284 0.151) 11.285 7.828 ( 0.000 -6.155 2.607) 6.684 7.953 ( 0.000 -3.335 4.252) 5.404 8.180 ( 0.000 -2.264 15.894) 16.054 8.583 ( 0.000 1.770 15.968) 16.065 9.153 ( 0.000 -1.430 2.434) 2.823 9.330 ( 0.000 1.614 -9.724) 9.857 9.380 ( 0.000 -1.063 -3.262) 3.431 9.628 ( 0.000 5.913 -6.494) 8.783 9.801 ( 0.000 2.638 12.621) 12.894 10.271 ( 0.000 -0.314 -14.070) 14.074 10.294 ( 0.000 -0.246 -1.388) 1.409 10.963 ( 0.000 1.341 -9.277) 9.374 11.295 ( 0.000 -1.384 -8.316) 8.431 11.951 ( 0.000 3.797 13.257) 13.790 12.656 ( 0.000 -5.171 10.690) 11.874 12.939 ( 0.000 -3.116 -1.598) 3.502 13.056 ( 0.000 -10.276 6.520) 12.170 14.923 ( 0.000 19.124 11.835) 22.489 14.934 ( 0.000 1.116 26.631) 26.655 15.088 ( 0.000 -0.111 26.299) 26.300 17.412 ( 0.000 4.125 -33.608) 33.860 17.677 ( 0.000 0.092 -14.784) 14.784 17.691 ( 0.000 -0.109 -14.223) 14.223 17.881 ( 0.000 -27.345 1.606) 27.392 18.147 ( 0.000 -11.475 -4.924) 12.487 20.557 ( 0.000 3.553 17.662) 18.016 20.882 ( 0.000 3.368 1.143) 3.557 20.947 ( 0.000 11.237 0.650) 11.256 21.360 ( 0.000 2.050 -0.777) 2.192 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 12.528 5.073 22.959) 26.642 1.566 ( 8.724 13.901 21.685) 27.195 2.779 ( 15.622 15.943 17.691) 28.481 2.830 ( 1.042 -12.412 -3.985) 13.078 3.013 ( -0.400 1.245 10.442) 10.523 3.084 ( -6.052 -1.168 1.824) 6.427 3.185 ( -0.872 -4.272 -6.774) 8.056 3.234 ( 0.234 1.886 -1.896) 2.685 3.460 ( 0.944 6.111 -12.508) 13.953 3.578 ( 0.423 -7.178 -0.922) 7.250 3.841 ( -4.563 1.449 -2.744) 5.518 3.963 ( -1.418 -2.799 1.910) 3.673 4.123 ( -8.673 -3.601 5.329) 10.797 4.171 ( -2.655 -2.510 -9.027) 9.738 4.354 ( -3.833 11.624 -3.112) 12.630 4.401 ( -4.036 5.002 0.904) 6.491 4.833 ( 8.870 -0.892 6.851) 11.243 4.936 ( 4.465 4.053 1.504) 6.215 5.109 ( 2.834 11.900 8.948) 15.156 5.168 ( 8.870 3.707 2.793) 10.011 5.286 ( 15.231 0.047 16.428) 22.403 5.941 ( -5.266 -3.123 -4.604) 7.660 6.291 ( 1.630 -5.406 -7.901) 9.711 6.513 ( -2.490 -3.515 3.724) 5.694 6.570 ( 5.929 -5.442 -6.127) 10.115 6.877 ( -9.651 0.007 -5.065) 10.899 7.001 ( -2.569 5.590 -6.892) 9.238 7.091 ( 8.842 7.974 -2.664) 12.201 7.309 ( 0.248 -3.126 -6.070) 6.832 7.378 ( -0.862 -1.734 -6.427) 6.712 7.590 ( 5.953 -4.438 -0.645) 7.453 7.741 ( -4.811 0.642 9.274) 10.468 7.987 ( 6.022 -4.394 0.119) 7.456 8.427 ( 12.396 -6.696 9.573) 17.033 8.655 ( 10.646 -0.895 10.194) 14.766 9.131 ( -12.613 3.810 -6.949) 14.896 9.171 ( 1.697 -1.327 2.699) 3.453 9.455 ( 0.832 -3.131 -2.720) 4.230 9.642 ( 0.902 6.243 -5.447) 8.334 9.841 ( 4.073 2.714 10.524) 11.606 10.275 ( 0.894 0.070 -9.810) 9.850 10.321 ( 2.119 -1.257 -6.475) 6.928 10.928 ( -3.348 0.825 -8.143) 8.843 11.268 ( -2.781 -1.152 -8.096) 8.637 11.951 ( 0.045 4.189 13.646) 14.275 12.672 ( 1.405 -4.978 10.371) 11.589 12.753 ( -14.373 -1.848 10.791) 18.067 13.057 ( -1.701 -7.176 -0.309) 7.382 14.704 ( -6.900 13.899 10.081) 18.505 15.261 ( 18.596 -1.455 26.058) 32.046 15.338 ( 24.620 7.233 25.694) 36.313 17.019 ( -27.103 4.369 -29.413) 40.234 17.821 ( 9.755 -10.062 -12.285) 18.637 17.884 ( 1.082 -26.085 1.356) 26.142 17.950 ( 13.721 -0.366 -14.294) 19.817 18.168 ( 2.410 -7.582 -6.125) 10.041 20.579 ( 2.344 3.345 14.543) 15.105 20.764 ( -10.343 7.072 0.601) 12.544 20.926 ( -2.210 11.320 -0.220) 11.536 21.341 ( -1.863 1.746 -1.245) 2.841 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 13.883 12.289 15.346) 24.068 1.822 ( 17.840 1.054 15.122) 23.410 2.772 ( -4.430 -10.340 -4.083) 11.967 2.907 ( -5.781 -1.857 -5.743) 8.357 3.019 ( 0.955 -5.412 0.880) 5.566 3.124 ( -6.366 -5.410 -5.928) 10.244 3.180 ( 8.036 -1.060 5.495) 9.792 3.253 ( 6.632 5.669 7.191) 11.307 3.409 ( -6.735 5.912 -3.601) 9.658 3.603 ( 1.330 -4.441 -1.231) 4.797 3.721 ( -5.749 1.259 -1.186) 6.003 3.938 ( -6.729 -5.066 0.714) 8.453 4.030 ( 8.401 1.764 6.290) 10.642 4.159 ( 0.951 1.218 -11.759) 11.860 4.191 ( -5.899 0.517 -2.410) 6.393 4.432 ( 1.155 20.205 -3.712) 20.575 5.006 ( 9.019 4.365 -1.684) 10.160 5.084 ( 11.524 -1.922 4.923) 12.678 5.211 ( 7.580 6.137 11.395) 14.998 5.402 ( 13.496 3.384 8.666) 16.392 5.589 ( 14.547 1.050 12.223) 19.030 5.877 ( -1.687 -1.684 -3.876) 4.551 6.215 ( -8.781 0.094 -9.124) 12.663 6.466 ( -5.980 0.834 -2.426) 6.506 6.529 ( -17.608 0.629 -15.107) 23.209 6.657 ( 1.407 -6.736 1.149) 6.977 6.919 ( -4.703 -7.164 -7.368) 11.302 7.299 ( 4.833 -2.226 -2.354) 5.818 7.321 ( 1.512 10.671 -4.357) 11.625 7.490 ( 12.911 -1.686 9.971) 16.400 7.683 ( 3.742 -0.961 4.015) 5.572 7.780 ( 8.338 2.660 2.727) 9.166 8.087 ( 3.191 -7.554 2.036) 8.450 8.550 ( 4.302 -0.685 12.351) 13.096 8.844 ( -8.861 5.265 -6.314) 12.087 9.014 ( 13.282 -5.290 -1.306) 14.357 9.220 ( 3.081 -1.389 3.705) 5.015 9.427 ( -2.208 -4.409 -0.337) 4.942 9.632 ( -2.184 5.604 -1.978) 6.332 9.959 ( 8.176 1.707 7.239) 11.052 10.304 ( 0.202 -0.571 -14.746) 14.758 10.361 ( 3.207 -1.241 -3.124) 4.646 10.852 ( -4.139 -1.632 -6.106) 7.555 11.186 ( -5.725 -0.463 -7.430) 9.391 11.960 ( 1.089 5.066 14.611) 15.503 12.482 ( -11.928 2.296 18.025) 21.736 12.716 ( 2.450 -5.453 9.206) 10.977 12.996 ( -4.116 -5.701 -1.227) 7.138 14.660 ( 2.177 16.178 0.417) 16.329 15.747 ( 30.528 -2.827 24.616) 39.318 15.886 ( 31.297 4.673 28.531) 42.607 16.475 ( -28.368 6.805 -27.808) 40.303 17.899 ( 0.955 -26.243 1.045) 26.282 17.943 ( 2.068 -23.468 -4.811) 24.045 18.117 ( 2.641 0.015 -4.057) 4.841 18.220 ( 0.765 -1.692 -3.874) 4.296 20.570 ( -7.821 12.273 -4.944) 15.370 20.652 ( 5.195 2.857 6.589) 8.864 20.865 ( -3.870 11.551 -2.461) 12.428 21.291 ( -3.351 1.323 -2.499) 4.385 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 13.952 9.811 6.292) 18.179 2.185 ( 17.938 -5.527 9.790) 21.169 2.701 ( -1.958 -7.931 -4.277) 9.221 2.801 ( -5.566 -3.914 -6.167) 9.183 2.937 ( -10.716 -5.148 -4.155) 12.593 3.049 ( 1.321 -5.093 1.038) 5.363 3.133 ( -6.922 -6.108 1.968) 9.439 3.232 ( -6.222 3.828 -2.801) 7.824 3.376 ( -1.226 -3.439 4.159) 5.534 3.542 ( -9.983 -0.560 -0.365) 10.005 3.669 ( 0.732 -10.415 -2.185) 10.667 3.849 ( -4.618 -6.670 -3.868) 8.987 4.189 ( 3.785 10.495 -0.476) 11.167 4.244 ( 15.588 5.806 -4.232) 17.164 4.382 ( 21.809 7.779 -7.525) 24.346 4.418 ( -1.543 19.886 -5.976) 20.822 5.198 ( 10.944 5.545 -3.414) 12.735 5.312 ( 4.569 0.898 7.843) 9.122 5.376 ( 11.113 -2.397 12.452) 16.861 5.613 ( 6.610 1.511 5.662) 8.834 5.790 ( 4.839 0.473 1.577) 5.111 5.846 ( -5.787 3.072 -1.657) 6.758 6.006 ( -8.440 4.915 -3.628) 10.419 6.074 ( -17.010 4.028 -22.811) 28.739 6.508 ( 2.599 -2.385 1.017) 3.671 6.677 ( 2.149 -5.174 7.222) 9.141 6.811 ( -6.562 -9.806 -7.242) 13.844 7.187 ( -8.871 4.332 -0.585) 9.889 7.497 ( 9.658 1.536 2.188) 10.021 7.720 ( 8.626 -3.535 10.271) 13.871 7.773 ( 5.342 -2.630 4.246) 7.313 7.963 ( 8.430 3.862 1.800) 9.446 8.106 ( 0.143 -5.706 2.891) 6.398 8.610 ( -7.865 9.185 -1.876) 12.237 8.672 ( 3.773 2.918 8.102) 9.402 9.170 ( -3.590 -1.648 1.973) 4.416 9.272 ( 4.754 -2.349 6.544) 8.423 9.491 ( 8.213 -4.075 -1.695) 9.324 9.579 ( -0.756 2.174 -2.973) 3.760 10.152 ( 10.695 -1.401 3.508) 11.342 10.226 ( -6.702 -0.402 -12.190) 13.917 10.483 ( 8.499 -0.552 -4.472) 9.620 10.765 ( -5.374 -5.860 -4.604) 9.189 11.047 ( -8.526 0.539 -6.652) 10.828 11.999 ( 3.067 5.631 15.413) 16.694 12.299 ( -7.375 3.639 18.323) 20.084 12.763 ( 2.286 -5.358 7.935) 9.844 12.914 ( -3.989 -5.095 0.673) 6.506 14.783 ( 10.422 16.788 -8.534) 21.524 15.929 ( -26.338 9.328 -24.787) 37.351 16.405 ( 34.936 -3.928 21.943) 41.442 16.520 ( 33.521 2.642 27.765) 43.606 17.895 ( -4.627 -23.000 0.219) 23.462 17.937 ( -0.772 -25.541 0.901) 25.568 18.043 ( -9.944 -2.655 7.754) 12.886 18.139 ( -8.144 -1.941 5.249) 9.882 20.495 ( 0.004 14.111 -11.948) 18.490 20.741 ( -0.771 7.995 -6.101) 10.087 20.814 ( 3.211 6.177 -1.096) 7.048 21.210 ( -5.052 1.150 -4.024) 6.561 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 13.266 3.384 0.103) 13.692 2.437 ( 3.735 -8.864 1.903) 9.805 2.637 ( -3.978 -1.737 -4.353) 6.147 2.714 ( -5.166 -10.906 -4.611) 12.918 2.810 ( 3.223 -1.281 -1.292) 3.701 2.963 ( -9.071 -4.138 0.769) 10.000 3.103 ( 4.349 -4.630 2.284) 6.751 3.186 ( -0.661 -1.508 1.870) 2.491 3.307 ( -4.971 -0.012 0.434) 4.990 3.335 ( -7.453 -6.514 5.576) 11.361 3.700 ( 2.387 -9.297 -5.810) 11.220 3.762 ( -3.982 -7.250 -5.940) 10.184 4.251 ( 3.712 15.954 -2.968) 16.646 4.331 ( -4.063 20.796 -2.040) 21.287 4.684 ( 23.725 -0.771 -12.319) 26.744 4.880 ( 27.603 9.826 -10.918) 31.267 5.128 ( -19.530 -2.808 -6.649) 20.821 5.399 ( -4.029 8.097 -6.135) 10.929 5.428 ( -12.030 6.879 -6.632) 15.363 5.532 ( -0.446 2.548 7.856) 8.271 5.739 ( 5.477 -2.456 -1.810) 6.269 5.833 ( -1.367 -2.035 3.578) 4.337 5.962 ( 2.428 5.191 -1.755) 5.994 6.005 ( 0.717 4.115 7.182) 8.309 6.562 ( 3.263 -6.892 -1.076) 7.701 6.663 ( -6.932 -8.358 -3.507) 11.411 6.794 ( 8.654 1.193 5.777) 10.474 6.991 ( -10.756 4.271 2.819) 11.912 7.670 ( 7.809 -1.806 4.410) 9.148 7.774 ( -2.064 -3.792 6.766) 8.026 7.892 ( 5.621 -6.531 5.783) 10.378 7.982 ( -3.852 -8.562 4.785) 10.537 8.221 ( 9.797 10.691 0.201) 14.502 8.415 ( -10.106 11.887 -1.710) 15.695 8.827 ( 9.590 2.245 7.763) 12.541 9.019 ( -9.686 1.397 4.945) 10.964 9.372 ( 5.030 -1.305 7.829) 9.397 9.466 ( -4.620 0.367 7.507) 8.822 9.776 ( 13.510 -2.297 -11.607) 17.959 10.024 ( -11.826 -0.551 -12.115) 16.939 10.402 ( 12.711 -5.114 2.523) 13.931 10.622 ( -9.400 -7.569 -1.831) 12.206 10.667 ( 9.942 -0.106 -5.849) 11.535 10.864 ( -10.099 0.911 -6.494) 12.041 12.076 ( 4.764 5.239 15.746) 17.265 12.177 ( -5.596 4.354 16.673) 18.118 12.804 ( 2.054 -5.138 6.151) 8.274 12.849 ( -2.737 -4.956 3.574) 6.696 15.055 ( 17.433 15.570 -15.816) 28.221 15.448 ( -22.935 12.925 -21.255) 33.836 17.072 ( 32.529 -6.961 18.689) 38.156 17.149 ( 30.534 0.712 23.679) 38.646 17.626 ( -22.214 -10.226 12.196) 27.327 17.691 ( -23.516 -2.121 17.085) 29.144 17.973 ( 1.739 -21.547 1.706) 21.684 18.021 ( -3.494 -16.179 2.770) 16.782 20.548 ( 4.670 13.546 -13.591) 19.749 20.652 ( -5.675 12.461 -11.094) 17.623 20.950 ( 7.934 1.801 -4.151) 9.134 21.095 ( -6.814 1.273 -5.020) 8.558 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 17.807 10.926) 20.892 1.877 ( 0.000 20.692 16.947) 26.747 2.466 ( 0.000 -18.246 -4.251) 18.735 2.715 ( 0.000 -13.095 5.058) 14.038 3.104 ( 0.000 -2.593 -11.224) 11.520 3.135 ( 0.000 1.282 -2.608) 2.906 3.274 ( 0.000 5.543 0.460) 5.562 3.329 ( 0.000 10.533 12.358) 16.238 3.552 ( 0.000 11.279 7.312) 13.442 3.568 ( 0.000 6.423 -18.774) 19.843 3.859 ( 0.000 -3.765 -14.479) 14.961 3.957 ( 0.000 2.654 1.259) 2.938 4.033 ( 0.000 -9.522 -4.528) 10.544 4.229 ( 0.000 4.530 12.742) 13.523 4.452 ( 0.000 -4.596 11.781) 12.645 4.627 ( 0.000 6.222 -2.533) 6.717 4.764 ( 0.000 3.454 0.145) 3.457 4.806 ( 0.000 -15.200 20.403) 25.443 5.188 ( 0.000 9.841 1.978) 10.038 5.278 ( 0.000 17.634 5.694) 18.530 5.540 ( 0.000 19.117 7.066) 20.381 5.884 ( 0.000 -3.227 6.881) 7.600 6.059 ( 0.000 -13.132 -6.350) 14.587 6.381 ( 0.000 -2.941 -15.118) 15.401 6.456 ( 0.000 -3.618 -1.668) 3.984 6.861 ( 0.000 -16.105 0.429) 16.111 7.084 ( 0.000 5.656 11.423) 12.746 7.161 ( 0.000 3.052 -2.407) 3.886 7.279 ( 0.000 -5.521 -7.914) 9.650 7.296 ( 0.000 -2.696 -15.370) 15.604 7.506 ( 0.000 4.598 -7.601) 8.883 7.709 ( 0.000 -5.523 0.091) 5.524 7.924 ( 0.000 1.174 5.601) 5.723 8.103 ( 0.000 -4.886 12.628) 13.540 8.675 ( 0.000 7.530 10.884) 13.235 9.067 ( 0.000 -7.224 2.907) 7.787 9.344 ( 0.000 -0.210 -4.792) 4.796 9.354 ( 0.000 -1.199 -3.035) 3.263 9.771 ( 0.000 7.227 -7.464) 10.390 9.868 ( 0.000 3.126 9.833) 10.318 10.250 ( 0.000 -1.667 -11.766) 11.884 10.271 ( 0.000 -2.050 -0.551) 2.122 11.019 ( 0.000 4.186 -10.030) 10.868 11.235 ( 0.000 -4.392 -9.299) 10.284 12.078 ( 0.000 8.482 12.478) 15.088 12.501 ( 0.000 -9.554 10.908) 14.500 12.869 ( 0.000 -3.121 0.780) 3.217 12.881 ( 0.000 -5.560 8.186) 9.896 14.965 ( 0.000 1.888 26.614) 26.681 15.048 ( 0.000 -1.620 26.302) 26.352 15.508 ( 0.000 34.402 9.365) 35.654 17.161 ( 0.000 -40.024 3.616) 40.187 17.533 ( 0.000 7.159 -29.844) 30.690 17.680 ( 0.000 0.160 -14.647) 14.648 17.688 ( 0.000 -0.176 -14.347) 14.348 17.911 ( 0.000 -10.869 -14.761) 18.331 20.664 ( 0.000 6.443 14.966) 16.294 20.893 ( 0.000 -2.362 6.078) 6.521 21.183 ( 0.000 10.254 1.085) 10.311 21.388 ( 0.000 -0.025 0.383) 0.384 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 9.098 15.404 9.368) 20.195 1.945 ( 6.547 20.303 15.200) 26.194 2.484 ( 1.244 -17.799 -4.925) 18.510 2.749 ( 3.405 -13.598 3.726) 14.504 3.065 ( -4.496 1.156 -5.175) 6.953 3.127 ( -1.552 0.133 -8.072) 8.221 3.231 ( -4.596 1.407 2.801) 5.563 3.299 ( -2.135 3.517 2.563) 4.847 3.525 ( -0.801 4.553 -7.570) 8.870 3.616 ( -0.114 6.525 -7.010) 9.578 3.830 ( -3.384 -1.105 -7.456) 8.262 3.947 ( 2.499 4.358 2.839) 5.770 4.035 ( -1.013 -2.142 4.133) 4.764 4.161 ( -3.681 2.587 4.526) 6.382 4.358 ( -9.896 -2.793 10.365) 14.600 4.639 ( 6.112 10.188 -1.982) 12.045 4.828 ( 7.546 -4.003 7.931) 11.656 4.920 ( 7.181 -6.626 5.081) 11.013 5.284 ( 9.439 8.774 7.748) 15.038 5.373 ( 8.564 12.003 7.155) 16.389 5.522 ( -1.685 18.874 5.645) 19.772 5.819 ( -3.716 -7.475 2.080) 8.603 6.156 ( 6.866 -5.474 -1.833) 8.970 6.428 ( 2.666 -4.213 -8.983) 10.273 6.450 ( 0.990 -3.853 -0.240) 3.986 6.798 ( -5.904 -10.792 -4.797) 13.203 7.050 ( -14.665 -0.344 -12.368) 19.187 7.165 ( 2.213 -4.634 -2.701) 5.802 7.270 ( 4.646 2.008 -1.676) 5.332 7.326 ( 7.481 -0.367 5.330) 9.193 7.582 ( 6.005 3.570 -5.609) 8.960 7.787 ( 6.494 -0.920 -0.049) 6.559 7.915 ( 0.578 2.103 3.590) 4.200 8.253 ( 12.847 -9.166 8.540) 17.944 8.709 ( 4.074 6.168 9.767) 12.249 9.082 ( 1.585 -7.350 3.124) 8.142 9.212 ( -8.723 3.619 -3.301) 10.004 9.371 ( -1.924 -4.508 -1.328) 5.078 9.789 ( 1.070 7.545 -7.681) 10.819 9.908 ( 3.874 3.091 7.980) 9.393 10.253 ( 0.360 -2.205 -11.215) 11.435 10.278 ( 0.705 -2.822 -1.029) 3.085 10.980 ( -3.936 4.381 -8.931) 10.698 11.211 ( -2.602 -4.497 -9.106) 10.484 12.087 ( 0.902 8.877 12.679) 15.504 12.517 ( 1.544 -9.617 10.536) 14.349 12.738 ( -9.059 0.683 8.743) 12.608 12.902 ( -1.209 -6.970 2.087) 7.376 14.990 ( 2.852 10.726 17.778) 20.958 15.216 ( 16.748 -2.912 25.481) 30.631 15.659 ( 15.082 25.791 15.962) 33.874 17.145 ( -23.677 7.136 -24.572) 34.861 17.178 ( 1.118 -38.627 3.052) 38.764 17.569 ( -7.846 -12.600 -12.014) 19.096 17.968 ( 13.852 1.354 -14.596) 20.168 18.061 ( 9.903 -3.490 -13.015) 16.722 20.678 ( 1.542 5.805 11.981) 13.402 20.845 ( -4.321 0.337 3.932) 5.852 21.163 ( -2.056 10.292 0.252) 10.498 21.366 ( -2.124 0.031 -0.392) 2.160 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 12.895 9.248 6.568) 17.174 2.106 ( 9.450 19.088 11.130) 24.032 2.488 ( -0.983 -15.032 -5.385) 15.998 2.828 ( 2.404 -11.504 4.327) 12.524 2.920 ( -7.256 2.084 -6.898) 10.226 3.051 ( -5.422 -1.190 -5.910) 8.108 3.131 ( -7.850 -5.455 0.240) 9.563 3.258 ( -1.740 -5.445 -0.208) 5.720 3.475 ( -5.356 0.509 -9.933) 11.296 3.537 ( -5.247 -0.626 -5.315) 7.495 3.733 ( -8.249 -0.771 -3.952) 9.179 3.858 ( -8.700 -3.826 6.102) 11.294 4.143 ( 6.644 1.933 -8.207) 10.735 4.174 ( 2.335 -0.049 -4.563) 5.126 4.308 ( 13.763 20.481 16.404) 29.631 4.788 ( 7.344 11.603 -0.003) 13.732 5.039 ( 11.717 -2.932 4.245) 12.802 5.100 ( 13.554 1.445 6.398) 15.058 5.426 ( -0.426 11.341 5.539) 12.629 5.517 ( 4.700 7.101 3.276) 9.124 5.579 ( 12.086 -0.294 9.817) 15.573 5.789 ( 0.923 -6.897 1.886) 7.210 6.257 ( 2.309 5.192 -1.622) 5.909 6.447 ( 1.144 -1.507 1.295) 2.293 6.483 ( -2.442 -5.232 -0.364) 5.785 6.608 ( -13.116 3.558 -17.806) 22.399 6.757 ( -11.917 -8.129 -12.792) 19.280 7.142 ( -0.838 -13.861 -2.035) 14.035 7.415 ( 7.584 1.935 6.842) 10.396 7.517 ( 9.633 0.255 10.201) 14.033 7.670 ( 2.322 2.299 -0.333) 3.284 7.920 ( 0.558 -7.431 1.751) 7.654 7.992 ( 13.407 15.410 -0.903) 20.446 8.503 ( 11.058 -5.164 5.119) 13.234 8.862 ( 11.193 -0.113 2.530) 11.476 9.038 ( -7.489 5.445 0.155) 9.260 9.134 ( 3.453 -6.950 3.421) 8.481 9.303 ( -4.173 -6.898 1.350) 8.174 9.776 ( -2.928 8.380 -6.792) 11.177 10.008 ( 6.257 2.121 4.382) 7.928 10.247 ( -1.790 -4.238 -11.589) 12.469 10.316 ( 4.076 -3.322 -0.405) 5.274 10.875 ( -6.626 4.348 -6.338) 10.148 11.133 ( -5.454 -4.771 -8.362) 11.065 12.115 ( 2.045 9.686 13.029) 16.364 12.548 ( -3.249 -2.710 10.040) 10.895 12.568 ( -3.020 -1.776 11.855) 12.362 12.849 ( -3.803 -7.949 1.875) 9.009 15.083 ( 6.845 22.342 4.287) 23.757 15.657 ( 27.569 -6.171 22.188) 35.922 16.061 ( 25.521 13.719 23.793) 37.492 16.676 ( -23.744 12.592 -23.335) 35.593 17.227 ( 3.611 -36.186 4.165) 36.604 17.429 ( -6.696 -23.815 -9.252) 26.412 18.130 ( 2.252 0.977 -4.165) 4.835 18.187 ( 1.757 -1.604 -4.469) 5.063 20.731 ( 4.106 4.260 4.651) 7.526 20.765 ( -2.997 5.464 -2.130) 6.586 21.106 ( -3.745 10.399 -1.993) 11.231 21.310 ( -3.651 -0.068 -2.167) 4.246 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 11.126 2.495 4.970) 12.438 2.283 ( 7.896 15.242 7.019) 18.545 2.459 ( -0.964 -11.465 -5.019) 12.552 2.719 ( -7.285 -3.685 -1.565) 8.312 2.905 ( -8.841 -0.166 -1.204) 8.924 2.949 ( 1.701 -7.378 -2.410) 7.946 2.969 ( -4.904 -5.533 -0.586) 7.417 3.203 ( -4.316 -9.599 2.263) 10.765 3.344 ( -6.617 0.100 -5.529) 8.624 3.475 ( -1.114 -5.584 -6.132) 8.368 3.516 ( -11.677 0.614 -0.683) 11.713 3.710 ( -6.641 -6.503 -1.275) 9.382 4.294 ( 11.064 2.415 -15.302) 19.037 4.342 ( 13.043 1.448 -11.011) 17.131 4.683 ( 20.142 21.236 11.253) 31.358 4.867 ( 1.019 18.559 -0.371) 18.591 5.250 ( 5.662 -4.481 7.413) 10.348 5.375 ( 4.350 4.049 -0.539) 5.968 5.382 ( 8.727 5.720 4.355) 11.307 5.595 ( 3.613 -3.188 -0.683) 4.867 5.774 ( 5.351 -1.613 1.464) 5.777 5.866 ( 7.216 -4.835 8.942) 12.466 6.152 ( -22.747 7.394 -18.395) 30.174 6.200 ( -7.924 10.663 -5.982) 14.569 6.475 ( 0.047 -0.289 0.185) 0.346 6.573 ( 6.281 -4.196 8.267) 11.198 6.628 ( -2.885 -5.877 -8.480) 10.713 7.116 ( -3.567 -11.512 3.113) 12.447 7.540 ( 5.619 2.369 6.867) 9.184 7.663 ( 5.012 -2.387 11.505) 12.774 7.709 ( 2.518 -1.402 5.301) 6.034 7.888 ( -3.027 -6.860 4.565) 8.779 8.273 ( 13.373 16.459 -3.044) 21.424 8.686 ( 8.874 0.748 5.368) 10.398 8.838 ( -8.277 9.252 -1.009) 12.455 9.104 ( 1.353 -4.427 1.696) 4.930 9.200 ( 4.471 -4.365 5.827) 8.544 9.332 ( 12.196 -10.715 -3.152) 16.537 9.678 ( -6.882 7.809 -4.452) 11.321 10.104 ( -1.492 -6.941 -8.783) 11.293 10.210 ( 2.897 2.322 0.750) 3.788 10.437 ( 8.074 -4.231 -2.621) 9.485 10.729 ( -8.395 3.379 -3.309) 9.636 11.000 ( -8.284 -5.049 -7.052) 11.994 12.165 ( 3.112 10.073 13.099) 16.815 12.413 ( -6.142 7.260 13.036) 16.136 12.608 ( 2.520 -9.336 8.832) 13.096 12.772 ( -3.849 -8.343 3.345) 9.778 15.256 ( 11.001 27.634 -5.681) 30.280 16.160 ( 1.841 3.771 -3.519) 5.477 16.307 ( 6.683 2.178 -1.067) 7.109 16.605 ( 29.518 5.892 25.156) 39.229 17.295 ( -4.939 -30.060 -4.947) 30.862 17.331 ( 5.041 -29.554 4.736) 30.353 18.046 ( -10.833 0.978 7.688) 13.320 18.105 ( -10.080 -1.637 6.626) 12.173 20.750 ( 1.529 9.059 -8.179) 12.300 20.835 ( 6.333 2.776 -2.674) 7.414 21.022 ( -4.710 10.283 -4.896) 12.324 21.225 ( -5.078 -0.176 -4.201) 6.593 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 5.232 -1.099 3.600) 6.445 2.356 ( -0.258 1.430 3.466) 3.758 2.503 ( 4.371 -7.364 -1.759) 8.743 2.590 ( -5.603 -4.492 -1.738) 7.388 2.795 ( -0.892 1.080 -0.238) 1.421 2.856 ( -5.200 -2.154 -1.282) 5.773 3.017 ( 3.711 -4.470 2.174) 6.203 3.109 ( -5.246 -8.142 2.937) 10.121 3.264 ( -0.315 1.034 -3.338) 3.509 3.334 ( -6.810 2.904 -1.669) 7.589 3.500 ( 3.527 -9.279 -7.252) 12.294 3.593 ( -5.615 -8.551 -6.180) 11.952 4.513 ( 11.414 8.903 -9.154) 17.127 4.668 ( 16.427 0.557 -13.459) 21.244 4.727 ( -5.476 14.023 -1.591) 15.138 5.048 ( -13.938 -1.453 -7.932) 16.103 5.183 ( 19.624 14.293 -3.304) 24.501 5.528 ( 5.164 4.318 -1.562) 6.911 5.552 ( 2.853 2.988 -1.923) 4.557 5.628 ( -7.670 3.146 -3.861) 9.145 5.751 ( -6.549 6.656 1.118) 9.405 5.803 ( -2.654 -0.420 0.751) 2.790 5.998 ( 3.947 -5.036 3.515) 7.300 6.058 ( -4.334 0.369 -1.561) 4.622 6.496 ( 2.406 2.035 1.079) 3.331 6.563 ( -3.785 1.704 -1.465) 4.402 6.764 ( 11.567 -4.378 7.905) 14.679 6.981 ( -9.920 -6.270 5.749) 13.068 7.640 ( 4.580 -0.228 8.705) 9.839 7.701 ( -1.104 -2.214 10.807) 11.087 7.767 ( 3.133 -5.144 7.282) 9.450 7.825 ( -3.038 -6.491 6.393) 9.604 8.490 ( 9.600 14.614 -1.293) 17.533 8.664 ( -8.599 11.845 -0.178) 14.638 8.870 ( 8.665 0.339 3.228) 9.253 9.019 ( -6.636 -2.777 2.597) 7.648 9.337 ( 8.298 -0.542 4.445) 9.429 9.503 ( -7.557 4.603 1.471) 8.970 9.659 ( 15.100 -9.405 -9.983) 20.399 9.939 ( -12.486 -9.038 -11.481) 19.220 10.363 ( 9.739 2.678 2.576) 10.424 10.554 ( -9.635 2.344 -0.362) 9.922 10.617 ( 10.233 -4.878 -4.189) 12.086 10.818 ( -10.208 -5.121 -5.595) 12.717 12.233 ( 3.798 9.564 12.933) 16.528 12.312 ( -4.485 8.513 12.970) 16.150 12.656 ( 2.418 -8.989 7.365) 11.869 12.706 ( -2.918 -8.605 5.447) 10.594 15.507 ( 14.924 27.486 -12.417) 33.651 15.830 ( -18.347 23.681 -17.023) 34.455 16.770 ( 21.891 -24.137 5.442) 33.037 17.039 ( -0.223 -24.171 3.251) 24.390 17.271 ( 17.340 -5.479 16.232) 24.376 17.510 ( 12.120 -14.786 12.116) 22.634 17.730 ( -20.525 0.515 16.402) 26.279 17.829 ( -16.914 -4.387 13.422) 22.034 20.813 ( 4.550 10.559 -10.187) 15.361 20.906 ( -3.789 10.251 -8.894) 14.091 20.987 ( 5.628 1.490 -5.247) 7.838 21.114 ( -6.396 0.040 -5.707) 8.572 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -18.193 1.017) 18.222 1.987 ( 0.000 18.193 1.017) 18.222 2.375 ( 0.000 -17.102 10.475) 20.055 2.375 ( 0.000 17.102 10.475) 20.055 3.091 ( 0.000 -1.732 -11.108) 11.242 3.091 ( 0.000 1.732 -11.108) 11.242 3.375 ( 0.000 -2.995 0.798) 3.100 3.375 ( 0.000 2.995 0.798) 3.100 3.687 ( 0.000 -3.579 -16.515) 16.898 3.687 ( 0.000 3.579 -16.515) 16.898 3.854 ( 0.000 -5.935 -8.175) 10.102 3.854 ( 0.000 5.935 -8.175) 10.102 4.276 ( 0.000 -16.867 17.579) 24.362 4.276 ( 0.000 16.867 17.579) 24.362 4.394 ( 0.000 -16.119 22.067) 27.327 4.394 ( 0.000 16.119 22.067) 27.327 4.750 ( 0.000 -3.776 -4.335) 5.749 4.750 ( 0.000 3.776 -4.335) 5.749 5.444 ( 0.000 -12.704 9.953) 16.139 5.444 ( 0.000 12.704 9.953) 16.139 5.700 ( 0.000 -19.346 -0.603) 19.356 5.700 ( 0.000 19.346 -0.603) 19.356 6.258 ( 0.000 -19.853 -4.878) 20.443 6.258 ( 0.000 19.853 -4.878) 20.443 6.459 ( 0.000 -8.872 -2.164) 9.132 6.459 ( 0.000 8.872 -2.164) 9.132 7.170 ( 0.000 -2.312 7.133) 7.498 7.170 ( 0.000 2.312 7.133) 7.498 7.251 ( 0.000 -1.217 -12.976) 13.033 7.251 ( 0.000 1.217 -12.976) 13.033 7.602 ( 0.000 -4.810 -4.686) 6.715 7.602 ( 0.000 4.810 -4.686) 6.715 7.995 ( 0.000 -5.041 9.180) 10.473 7.995 ( 0.000 5.041 9.180) 10.473 8.873 ( 0.000 -10.643 5.525) 11.992 8.873 ( 0.000 10.643 5.525) 11.992 9.339 ( 0.000 -0.131 -3.000) 3.002 9.339 ( 0.000 0.131 -3.000) 3.002 9.884 ( 0.000 -2.599 0.120) 2.602 9.884 ( 0.000 2.599 0.120) 2.602 10.232 ( 0.000 -0.779 -4.601) 4.667 10.232 ( 0.000 0.779 -4.601) 4.667 11.126 ( 0.000 -5.740 -10.064) 11.586 11.126 ( 0.000 5.740 -10.064) 11.586 12.284 ( 0.000 -10.903 11.319) 15.716 12.284 ( 0.000 10.903 11.319) 15.716 12.830 ( 0.000 -0.196 4.658) 4.662 12.830 ( 0.000 0.196 4.658) 4.662 15.008 ( 0.000 -2.108 26.545) 26.629 15.008 ( 0.000 2.108 26.545) 26.629 16.305 ( 0.000 -41.534 6.234) 41.999 16.305 ( 0.000 41.534 6.234) 41.999 17.684 ( 0.000 -0.042 -14.516) 14.516 17.684 ( 0.000 0.042 -14.516) 14.516 17.704 ( 0.000 -9.064 -23.490) 25.178 17.704 ( 0.000 9.064 -23.490) 25.178 20.800 ( 0.000 -6.141 11.161) 12.739 20.800 ( 0.000 6.141 11.161) 12.739 21.341 ( 0.000 -4.857 1.038) 4.966 21.341 ( 0.000 4.857 1.038) 4.966 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 5.366 -17.765 0.033) 18.558 2.046 ( 5.366 17.765 0.033) 18.558 2.411 ( 3.798 -17.535 9.310) 20.213 2.411 ( 3.798 17.535 9.310) 20.213 3.087 ( -0.911 -2.657 -9.498) 9.905 3.087 ( -0.911 2.657 -9.498) 9.905 3.288 ( -8.690 -4.226 0.631) 9.684 3.288 ( -8.690 4.226 0.631) 9.684 3.618 ( -5.215 -3.790 -14.893) 16.228 3.618 ( -5.215 3.790 -14.893) 16.228 3.865 ( -0.810 -5.619 -7.090) 9.083 3.865 ( -0.810 5.619 -7.090) 9.083 4.201 ( -6.057 -3.720 10.876) 12.992 4.201 ( -6.057 3.720 10.876) 12.992 4.515 ( 11.744 -21.413 20.832) 32.100 4.515 ( 11.744 21.413 20.832) 32.100 4.800 ( 6.199 -5.894 -1.322) 8.656 4.800 ( 6.199 5.894 -1.322) 8.656 5.494 ( 4.464 -9.964 9.479) 14.459 5.494 ( 4.464 9.964 9.479) 14.459 5.686 ( -1.566 -11.684 -1.170) 11.847 5.686 ( -1.566 11.684 -1.170) 11.847 6.319 ( 4.853 -13.635 -2.275) 14.651 6.319 ( 4.853 13.635 -2.275) 14.651 6.460 ( 1.520 -10.367 -1.585) 10.597 6.460 ( 1.520 10.367 -1.585) 10.597 7.075 ( -11.374 -3.127 -11.996) 16.824 7.075 ( -11.374 3.127 -11.996) 16.824 7.315 ( 7.670 -1.572 5.873) 9.787 7.315 ( 7.670 1.572 5.873) 9.787 7.687 ( 6.669 -5.888 -4.707) 10.065 7.687 ( 6.669 5.888 -4.707) 10.065 8.064 ( 7.848 -9.018 7.004) 13.856 8.064 ( 7.848 9.018 7.004) 13.856 8.889 ( 1.768 -10.264 5.577) 11.814 8.889 ( 1.768 10.264 5.577) 11.814 9.285 ( -5.072 -3.753 -1.374) 6.457 9.285 ( -5.072 3.753 -1.374) 6.457 9.916 ( 2.751 -3.426 -1.999) 4.826 9.916 ( 2.751 3.426 -1.999) 4.826 10.227 ( -0.350 -1.006 -3.619) 3.773 10.227 ( -0.350 1.006 -3.619) 3.773 11.095 ( -3.201 -6.203 -9.395) 11.704 11.095 ( -3.201 6.203 -9.395) 11.704 12.298 ( 1.417 -11.045 11.232) 15.816 12.298 ( 1.417 11.045 11.232) 15.816 12.787 ( -4.145 -4.055 5.202) 7.790 12.787 ( -4.145 4.055 5.202) 7.790 15.139 ( 12.952 -4.857 23.791) 27.520 15.139 ( 12.952 4.857 23.791) 27.520 16.352 ( 5.094 -38.975 7.503) 40.017 16.352 ( 5.094 38.975 7.503) 40.017 17.332 ( -18.466 -10.281 -18.786) 28.277 17.332 ( -18.466 10.281 -18.786) 28.277 18.004 ( 12.832 -2.176 -14.435) 19.436 18.004 ( 12.832 2.176 -14.435) 19.436 20.793 ( -0.443 -4.724 8.403) 9.650 20.793 ( -0.443 4.724 8.403) 9.650 21.320 ( -2.040 -4.813 0.209) 5.232 21.320 ( -2.040 4.813 0.209) 5.232 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 5.820 -14.512 -1.324) 15.692 2.160 ( 5.820 14.512 -1.324) 15.692 2.517 ( 6.500 -17.866 7.133) 20.305 2.517 ( 6.500 17.866 7.133) 20.305 3.005 ( -9.312 -5.332 -3.934) 11.429 3.005 ( -9.312 5.332 -3.934) 11.429 3.106 ( -7.091 -6.673 -2.829) 10.140 3.106 ( -7.091 6.673 -2.829) 10.140 3.510 ( -6.135 -2.579 -11.211) 13.037 3.510 ( -6.135 2.579 -11.211) 13.037 3.768 ( -9.047 -4.181 1.348) 10.058 3.768 ( -9.047 4.181 1.348) 10.058 4.160 ( 3.968 -0.810 -6.510) 7.667 4.160 ( 3.968 0.810 -6.510) 7.667 4.786 ( 14.626 -18.002 13.021) 26.600 4.786 ( 14.626 18.002 13.021) 26.600 5.012 ( 14.956 -4.614 7.056) 17.168 5.012 ( 14.956 4.614 7.056) 17.168 5.561 ( -0.869 -2.838 3.939) 4.932 5.561 ( -0.869 2.838 3.939) 4.932 5.663 ( 2.031 -4.034 0.423) 4.536 5.663 ( 2.031 4.034 0.423) 4.536 6.392 ( 3.506 -4.003 4.319) 6.853 6.392 ( 3.506 4.003 4.319) 6.853 6.522 ( -0.001 -9.366 -9.165) 13.104 6.522 ( -0.001 9.366 -9.165) 13.104 6.819 ( -10.873 -13.627 -9.273) 19.746 6.819 ( -10.873 13.627 -9.273) 19.746 7.472 ( 7.624 -3.187 10.249) 13.165 7.472 ( 7.624 3.187 10.249) 13.165 7.772 ( 1.408 -6.485 0.127) 6.637 7.772 ( 1.408 6.485 0.127) 6.637 8.310 ( 16.100 -13.273 -0.608) 20.875 8.310 ( 16.100 13.273 -0.608) 20.875 8.951 ( 4.945 -8.051 5.039) 10.708 8.951 ( 4.945 8.051 5.039) 10.708 9.168 ( -6.363 -6.144 1.498) 8.971 9.168 ( -6.363 6.144 1.498) 8.971 9.955 ( 0.072 -7.635 -7.024) 10.375 9.955 ( 0.072 7.635 -7.024) 10.375 10.234 ( 1.788 -3.548 -0.245) 3.981 10.234 ( 1.788 3.548 -0.245) 3.981 11.004 ( -6.144 -7.105 -7.661) 12.121 11.004 ( -6.144 7.105 -7.661) 12.121 12.337 ( 2.496 -11.260 10.939) 15.895 12.337 ( 2.496 11.260 10.939) 15.895 12.688 ( -5.534 -7.263 6.427) 11.166 12.688 ( -5.534 7.263 6.427) 11.166 15.466 ( 19.472 -13.454 15.137) 28.095 15.466 ( 19.472 13.454 15.137) 28.095 16.512 ( 11.652 -30.110 11.700) 34.341 16.512 ( 11.652 30.110 11.700) 34.341 16.996 ( -15.893 -18.041 -16.356) 29.079 16.996 ( -15.893 18.041 -16.356) 29.079 18.155 ( 2.060 -1.434 -4.339) 5.012 18.155 ( 2.060 1.434 -4.339) 5.012 20.799 ( 1.410 -1.547 1.633) 2.655 20.799 ( 1.410 1.547 1.633) 2.655 21.264 ( -3.705 -4.784 -1.893) 6.340 21.264 ( -3.705 4.784 -1.893) 6.340 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 4.626 -8.039 -0.969) 9.326 2.262 ( 4.626 8.039 -0.969) 9.326 2.584 ( -2.722 -11.786 6.616) 13.787 2.584 ( -2.722 11.786 6.616) 13.787 2.863 ( -0.841 -2.897 -4.992) 5.832 2.863 ( -0.841 2.897 -4.992) 5.832 2.986 ( -5.835 -6.916 1.625) 9.194 2.986 ( -5.835 6.916 1.625) 9.194 3.387 ( -5.693 -3.405 -8.413) 10.714 3.387 ( -5.693 3.405 -8.413) 10.714 3.587 ( -8.644 -5.220 -0.610) 10.116 3.587 ( -8.644 5.220 -0.610) 10.116 4.335 ( 13.069 -1.508 -14.479) 19.563 4.335 ( 13.069 1.508 -14.479) 19.563 5.041 ( 9.092 -9.485 7.722) 15.240 5.041 ( 9.092 9.485 7.722) 15.240 5.262 ( 6.879 -12.838 8.004) 16.619 5.262 ( 6.879 12.838 8.004) 16.619 5.520 ( 3.447 -4.856 -4.806) 7.653 5.520 ( 3.447 4.856 -4.806) 7.653 5.759 ( 5.468 -2.283 3.092) 6.684 5.759 ( 5.468 2.283 3.092) 6.684 6.292 ( -18.623 -5.611 -15.951) 25.155 6.292 ( -18.623 5.611 -15.951) 25.155 6.485 ( 6.057 -3.958 6.551) 9.761 6.485 ( 6.057 3.958 6.551) 9.761 6.781 ( 1.529 -17.619 2.741) 17.897 6.781 ( 1.529 17.619 2.741) 17.897 7.596 ( 5.123 -3.229 10.703) 12.297 7.596 ( 5.123 3.229 10.703) 12.297 7.761 ( -1.809 -5.085 5.279) 7.550 7.761 ( -1.809 5.085 5.279) 7.550 8.596 ( 11.783 -11.500 -2.548) 16.661 8.596 ( 11.783 11.500 -2.548) 16.661 9.002 ( -4.678 -6.197 1.583) 7.924 9.002 ( -4.678 6.197 1.583) 7.924 9.154 ( 10.441 -2.979 3.214) 11.323 9.154 ( 10.441 2.979 3.214) 11.323 9.889 ( -6.919 -11.747 -8.922) 16.293 9.889 ( -6.919 11.747 -8.922) 16.293 10.319 ( 6.866 -6.546 0.875) 9.527 10.319 ( 6.866 6.546 0.875) 9.527 10.860 ( -8.633 -7.705 -5.419) 12.777 10.860 ( -8.633 7.705 -5.419) 12.777 12.390 ( 2.922 -11.156 10.414) 15.539 12.390 ( 2.922 11.156 10.414) 15.539 12.588 ( -4.667 -9.053 7.695) 12.765 12.588 ( -4.667 9.053 7.695) 12.765 15.836 ( 17.690 -25.729 2.561) 31.329 15.836 ( 17.690 25.729 2.561) 31.329 16.655 ( -10.022 -17.051 -9.517) 21.949 16.655 ( -10.022 17.051 -9.517) 21.949 16.878 ( 16.581 -7.869 13.985) 23.074 16.878 ( 16.581 7.869 13.985) 23.074 18.072 ( -10.540 -1.503 7.191) 12.848 18.072 ( -10.540 1.503 7.191) 12.848 20.855 ( 4.335 -1.480 -4.806) 6.639 20.855 ( 4.335 1.480 -4.806) 6.639 21.180 ( -4.995 -4.737 -4.526) 8.239 21.180 ( -4.995 4.737 -4.526) 8.239 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 4.581 -3.884 1.714) 6.246 2.345 ( 4.581 3.884 1.714) 6.246 2.460 ( -7.256 -5.348 4.001) 9.862 2.460 ( -7.256 5.348 4.001) 9.862 2.905 ( 1.561 -7.769 -1.684) 8.101 2.905 ( 1.561 7.769 -1.684) 8.101 2.915 ( -1.067 -6.884 1.989) 7.245 2.915 ( -1.067 6.884 1.989) 7.245 3.339 ( 1.654 -5.636 -6.907) 9.067 3.339 ( 1.654 5.636 -6.907) 9.067 3.435 ( -7.090 -6.293 -4.602) 10.538 3.435 ( -7.090 6.293 -4.602) 10.538 4.634 ( 17.000 -3.397 -13.115) 21.738 4.634 ( 17.000 3.397 -13.115) 21.738 4.952 ( -14.404 -7.395 -3.951) 16.667 4.952 ( -14.404 7.395 -3.951) 16.667 5.461 ( 14.221 -9.410 -1.190) 17.094 5.461 ( 14.221 9.410 -1.190) 17.094 5.638 ( 1.198 -3.025 -1.347) 3.521 5.638 ( 1.198 3.025 -1.347) 3.521 5.837 ( 2.638 -5.731 1.113) 6.407 5.837 ( 2.638 5.731 1.113) 6.407 5.953 ( -13.263 -9.103 -7.233) 17.638 5.953 ( -13.263 9.103 -7.233) 17.638 6.623 ( 7.806 -8.206 7.700) 13.695 6.623 ( 7.806 8.206 7.700) 13.695 6.754 ( -4.704 -13.383 5.984) 15.396 6.754 ( -4.704 13.383 5.984) 15.396 7.673 ( 3.019 -2.671 9.835) 10.629 7.673 ( 3.019 2.671 9.835) 10.629 7.721 ( -2.167 -2.784 8.438) 9.146 7.721 ( -2.167 2.784 8.438) 9.146 8.766 ( 6.819 -10.380 0.331) 12.424 8.766 ( 6.819 10.380 0.331) 12.424 8.888 ( -6.122 -9.175 1.906) 11.193 8.888 ( -6.122 9.175 1.906) 11.193 9.426 ( 15.267 -9.297 -2.698) 18.077 9.426 ( 15.267 9.297 -2.698) 18.077 9.699 ( -12.349 -12.002 -6.688) 18.474 9.699 ( -12.349 12.002 -6.688) 18.474 10.483 ( 9.660 -7.357 -0.950) 12.179 10.483 ( 9.660 7.357 -0.950) 12.179 10.677 ( -10.070 -7.742 -3.125) 13.081 10.677 ( -10.070 7.742 -3.125) 13.081 12.448 ( 3.015 -10.645 9.678) 14.699 12.448 ( 3.015 10.645 9.678) 14.699 12.509 ( -3.498 -9.953 8.772) 13.720 12.509 ( -3.498 9.953 8.772) 13.720 16.142 ( 14.319 -32.129 -6.566) 35.783 16.142 ( 14.319 32.129 -6.566) 35.783 16.406 ( -13.379 -30.235 -11.027) 34.853 16.406 ( -13.379 30.235 -11.027) 34.853 17.315 ( 24.691 -5.514 20.184) 32.364 17.315 ( 24.691 5.514 20.184) 32.364 17.765 ( -20.542 -2.383 15.951) 26.117 17.765 ( -20.542 2.383 15.951) 26.117 20.957 ( 5.927 -3.428 -7.502) 10.157 20.957 ( 5.927 3.428 -7.502) 10.157 21.073 ( -5.889 -4.398 -6.829) 10.033 21.073 ( -5.889 4.398 -6.829) 10.033 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 0.000 23.044) 23.044 1.929 ( 0.000 0.000 28.663) 28.663 2.593 ( 0.000 0.000 -3.630) 3.630 2.792 ( 0.000 0.000 -9.266) 9.266 3.033 ( 0.000 0.000 -10.689) 10.689 3.179 ( 0.000 0.000 5.670) 5.670 3.244 ( 0.000 0.000 4.120) 4.120 3.295 ( 0.000 0.000 -0.750) 0.750 3.354 ( 0.000 0.000 -1.741) 1.741 3.663 ( 0.000 0.000 -9.091) 9.091 3.756 ( 0.000 0.000 15.109) 15.109 3.973 ( 0.000 0.000 -2.531) 2.531 4.006 ( 0.000 0.000 -6.727) 6.727 4.230 ( 0.000 0.000 -2.218) 2.218 4.510 ( 0.000 0.000 15.762) 15.762 4.594 ( 0.000 0.000 17.550) 17.550 4.918 ( 0.000 0.000 7.184) 7.184 4.991 ( 0.000 0.000 -1.902) 1.902 5.027 ( 0.000 0.000 6.654) 6.654 5.050 ( 0.000 0.000 13.356) 13.356 5.586 ( 0.000 0.000 23.625) 23.625 5.883 ( 0.000 0.000 -16.103) 16.103 5.991 ( 0.000 0.000 -7.773) 7.773 6.324 ( 0.000 0.000 -14.509) 14.509 6.659 ( 0.000 0.000 -3.413) 3.413 6.681 ( 0.000 0.000 -29.529) 29.529 6.845 ( 0.000 0.000 -13.749) 13.749 6.943 ( 0.000 0.000 5.534) 5.534 7.230 ( 0.000 0.000 9.770) 9.770 7.242 ( 0.000 0.000 -0.784) 0.784 7.638 ( 0.000 0.000 -0.174) 0.174 7.837 ( 0.000 0.000 -6.786) 6.786 8.124 ( 0.000 0.000 8.523) 8.523 8.583 ( 0.000 0.000 18.802) 18.802 8.918 ( 0.000 0.000 16.808) 16.808 9.017 ( 0.000 0.000 -15.361) 15.361 9.219 ( 0.000 0.000 3.445) 3.445 9.301 ( 0.000 0.000 -6.035) 6.035 9.468 ( 0.000 0.000 -4.833) 4.833 9.972 ( 0.000 0.000 -16.126) 16.126 10.085 ( 0.000 0.000 18.281) 18.281 10.306 ( 0.000 0.000 2.806) 2.806 10.754 ( 0.000 0.000 -10.770) 10.770 11.108 ( 0.000 0.000 -12.625) 12.625 12.194 ( 0.000 0.000 15.002) 15.002 12.876 ( 0.000 0.000 -2.273) 2.273 12.929 ( 0.000 0.000 5.681) 5.681 13.202 ( 0.000 0.000 -0.266) 0.266 15.025 ( 0.000 0.000 19.402) 19.402 15.512 ( 0.000 0.000 33.048) 33.048 15.671 ( 0.000 0.000 31.667) 31.667 16.681 ( 0.000 0.000 -34.825) 34.825 17.312 ( 0.000 0.000 -22.668) 22.668 17.347 ( 0.000 0.000 -21.276) 21.276 18.207 ( 0.000 0.000 1.259) 1.259 18.278 ( 0.000 0.000 -1.046) 1.046 20.805 ( 0.000 0.000 -0.101) 0.101 20.816 ( 0.000 0.000 -0.272) 0.272 20.856 ( 0.000 0.000 14.531) 14.531 21.299 ( 0.000 0.000 -2.588) 2.588 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 4.178 0.000 22.322) 22.710 2.012 ( 8.292 0.000 26.305) 27.581 2.667 ( 5.509 0.000 -9.338) 10.842 2.810 ( 1.738 0.000 -6.900) 7.115 3.071 ( 3.440 0.000 -10.387) 10.942 3.201 ( 2.003 0.000 4.438) 4.870 3.214 ( -3.618 0.000 5.473) 6.561 3.230 ( -5.365 0.000 -1.314) 5.524 3.350 ( 1.585 0.000 -3.739) 4.061 3.628 ( -3.555 0.000 -9.077) 9.749 3.746 ( -1.158 0.000 11.797) 11.854 3.974 ( -0.454 0.000 -4.213) 4.237 4.045 ( 3.302 0.000 -4.813) 5.837 4.155 ( -6.762 0.000 -0.611) 6.790 4.383 ( -10.415 0.000 12.854) 16.544 4.468 ( -11.125 0.000 20.305) 23.153 4.883 ( -1.753 0.000 3.236) 3.680 5.051 ( 9.659 0.000 4.691) 10.738 5.101 ( 7.739 0.000 6.513) 10.115 5.283 ( 16.263 0.000 11.440) 19.884 5.647 ( 6.161 0.000 17.956) 18.983 5.817 ( -1.701 0.000 -6.001) 6.238 6.123 ( -2.900 0.000 -14.873) 15.153 6.364 ( 12.761 0.000 -16.554) 20.902 6.512 ( -17.567 0.000 -13.711) 22.285 6.666 ( -9.196 0.000 -2.092) 9.431 6.732 ( 4.422 0.000 -24.661) 25.054 7.004 ( 2.391 0.000 -2.983) 3.823 7.280 ( 4.858 0.000 9.623) 10.780 7.382 ( 13.395 0.000 7.055) 15.140 7.675 ( 3.678 0.000 0.077) 3.679 7.974 ( 11.185 0.000 -5.532) 12.478 7.981 ( -9.605 0.000 10.564) 14.278 8.751 ( 10.202 0.000 12.914) 16.457 8.833 ( -13.556 0.000 -13.265) 18.967 8.935 ( 3.249 0.000 14.467) 14.828 9.248 ( 2.998 0.000 4.157) 5.125 9.392 ( 4.956 0.000 -5.082) 7.099 9.504 ( 3.512 0.000 -3.980) 5.308 9.984 ( 1.056 0.000 -16.311) 16.345 10.100 ( 1.737 0.000 17.588) 17.673 10.315 ( 1.051 0.000 2.458) 2.674 10.742 ( -1.121 0.000 -10.120) 10.182 11.088 ( -2.033 0.000 -12.023) 12.194 12.191 ( -0.135 0.000 14.863) 14.863 12.832 ( -4.968 0.000 -2.592) 5.604 12.927 ( 0.263 0.000 8.473) 8.477 13.136 ( -5.552 0.000 0.790) 5.608 14.802 ( -14.638 0.000 17.218) 22.599 15.851 ( 18.043 0.000 31.455) 36.262 15.855 ( 26.888 0.000 31.855) 41.686 16.350 ( -25.581 0.000 -31.936) 40.919 17.542 ( 18.031 0.000 -22.372) 28.734 17.586 ( 19.687 0.000 -21.849) 29.410 18.209 ( 0.193 0.000 1.208) 1.224 18.278 ( -0.018 0.000 -0.977) 0.977 20.677 ( -13.212 0.000 1.331) 13.278 20.759 ( -4.713 0.000 -1.430) 4.925 20.839 ( -1.615 0.000 13.248) 13.347 21.276 ( -2.367 0.000 -3.030) 3.845 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 4.592 0.000 17.502) 18.095 2.232 ( 13.831 0.000 20.524) 24.749 2.706 ( -2.285 0.000 -12.996) 13.195 2.822 ( -1.863 0.000 -1.049) 2.138 3.124 ( -6.304 0.000 -2.900) 6.939 3.134 ( 1.916 0.000 -9.127) 9.326 3.162 ( 0.050 0.000 -1.677) 1.678 3.236 ( 1.149 0.000 3.061) 3.269 3.467 ( 10.977 0.000 -6.914) 12.973 3.531 ( -6.151 0.000 -7.797) 9.932 3.732 ( 1.001 0.000 8.161) 8.222 3.943 ( -2.848 0.000 -3.726) 4.690 4.000 ( -8.979 0.000 -0.853) 9.019 4.078 ( -0.869 0.000 -4.701) 4.781 4.176 ( -10.191 0.000 10.581) 14.691 4.278 ( -5.472 0.000 17.724) 18.549 4.941 ( 7.034 0.000 3.379) 7.804 5.251 ( 11.486 0.000 1.310) 11.561 5.319 ( 13.920 0.000 4.767) 14.714 5.610 ( 13.784 0.000 13.053) 18.984 5.792 ( -2.729 0.000 -2.314) 3.578 5.794 ( 5.673 0.000 8.997) 10.637 5.943 ( -8.843 0.000 -14.039) 16.592 6.059 ( -23.020 0.000 -15.589) 27.802 6.573 ( -2.333 0.000 3.106) 3.884 6.654 ( 11.781 0.000 -8.415) 14.478 6.825 ( 4.693 0.000 -18.609) 19.191 7.002 ( -2.152 0.000 -6.412) 6.764 7.401 ( 7.214 0.000 8.377) 11.055 7.689 ( 16.552 0.000 11.093) 19.925 7.763 ( 4.800 0.000 1.087) 4.922 7.864 ( -1.378 0.000 6.033) 6.189 8.179 ( 8.852 0.000 -2.512) 9.201 8.530 ( -15.494 0.000 -14.158) 20.988 8.861 ( 2.015 0.000 15.506) 15.636 9.113 ( 12.224 0.000 4.877) 13.161 9.332 ( 5.559 0.000 5.955) 8.147 9.428 ( -1.237 0.000 -1.271) 1.774 9.586 ( 4.402 0.000 -1.036) 4.523 9.995 ( -0.623 0.000 -16.462) 16.473 10.162 ( 5.018 0.000 14.846) 15.671 10.352 ( 2.926 0.000 1.471) 3.275 10.719 ( -1.098 0.000 -9.071) 9.137 11.027 ( -4.377 0.000 -10.114) 11.020 12.196 ( 0.799 0.000 14.349) 14.371 12.698 ( -8.111 0.000 3.724) 8.925 12.941 ( 1.079 0.000 7.599) 7.675 13.037 ( -4.044 0.000 0.961) 4.156 14.576 ( -7.978 0.000 9.532) 12.430 15.822 ( -27.096 0.000 -29.426) 40.001 16.328 ( 29.952 0.000 30.444) 42.708 16.436 ( 31.295 0.000 31.267) 44.238 17.919 ( 13.090 0.000 -14.624) 19.627 17.930 ( 19.182 0.000 -18.835) 26.883 18.215 ( 0.479 0.000 1.107) 1.206 18.279 ( 0.243 0.000 -0.860) 0.894 20.369 ( -16.733 0.000 1.570) 16.806 20.630 ( -8.396 0.000 -4.971) 9.758 20.805 ( -1.483 0.000 9.245) 9.363 21.209 ( -4.549 0.000 -4.168) 6.170 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 6.032 0.000 7.827) 9.882 2.520 ( 15.265 0.000 13.201) 20.182 2.593 ( -8.643 0.000 -11.485) 14.374 2.770 ( -2.232 0.000 1.908) 2.936 2.962 ( -9.063 0.000 -2.125) 9.308 3.098 ( -5.366 0.000 -5.873) 7.955 3.243 ( 7.477 0.000 0.092) 7.477 3.245 ( -0.667 0.000 3.827) 3.885 3.414 ( -5.316 0.000 -2.718) 5.971 3.631 ( 2.954 0.000 -11.368) 11.746 3.817 ( -6.785 0.000 5.695) 8.859 3.855 ( 2.319 0.000 4.066) 4.681 3.878 ( -2.760 0.000 -4.237) 5.056 4.042 ( -2.516 0.000 -5.970) 6.479 4.045 ( 4.705 0.000 -4.605) 6.583 4.289 ( 6.426 0.000 5.072) 8.186 5.111 ( 7.686 0.000 -1.604) 7.852 5.378 ( -7.617 0.000 -10.658) 13.100 5.411 ( -22.267 0.000 -27.567) 35.437 5.647 ( 6.898 0.000 -2.926) 7.493 5.661 ( 10.226 0.000 16.968) 19.811 5.741 ( -3.057 0.000 8.014) 8.577 6.019 ( 9.843 0.000 10.302) 14.248 6.026 ( 6.034 0.000 9.370) 11.145 6.564 ( 1.936 0.000 0.571) 2.019 6.786 ( 3.115 0.000 -2.562) 4.033 6.881 ( 0.486 0.000 -6.325) 6.344 6.931 ( -5.075 0.000 -6.251) 8.052 7.550 ( 8.049 0.000 4.946) 9.448 7.843 ( 3.468 0.000 1.507) 3.782 7.912 ( 4.464 0.000 -0.557) 4.499 7.982 ( 13.173 0.000 10.339) 16.746 8.247 ( -13.376 0.000 -12.338) 18.197 8.296 ( 3.051 0.000 0.977) 3.204 8.914 ( 4.037 0.000 14.071) 14.638 9.279 ( -0.317 0.000 6.015) 6.023 9.415 ( 5.543 0.000 -4.323) 7.029 9.451 ( 6.350 0.000 7.888) 10.127 9.647 ( 1.413 0.000 3.872) 4.122 9.938 ( -5.411 0.000 -14.881) 15.834 10.306 ( 9.780 0.000 9.327) 13.514 10.433 ( 5.336 0.000 -0.817) 5.398 10.695 ( -1.765 0.000 -8.407) 8.591 10.915 ( -7.311 0.000 -6.763) 9.959 12.228 ( 2.670 0.000 13.258) 13.524 12.543 ( -7.586 0.000 7.774) 10.862 12.961 ( 0.841 0.000 6.259) 6.315 12.984 ( -1.544 0.000 2.151) 2.648 14.508 ( 1.127 0.000 -0.231) 1.150 15.321 ( -24.216 0.000 -24.917) 34.746 16.957 ( 33.788 0.000 27.980) 43.869 17.040 ( 30.260 0.000 27.425) 40.839 18.051 ( 0.180 0.000 -3.041) 3.046 18.180 ( 4.314 0.000 -4.546) 6.267 18.230 ( 1.031 0.000 0.931) 1.389 18.286 ( 0.182 0.000 -0.218) 0.284 20.107 ( -8.498 0.000 -5.242) 9.985 20.444 ( -10.578 0.000 -9.675) 14.335 20.799 ( 1.287 0.000 2.981) 3.247 21.104 ( -6.215 0.000 -5.379) 8.219 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 9.352 0.000 -2.364) 9.646 2.397 ( -10.971 0.000 -9.248) 14.349 2.756 ( 1.051 0.000 2.806) 2.996 2.791 ( 11.887 0.000 4.576) 12.737 2.817 ( -5.425 0.000 1.651) 5.671 2.970 ( -7.379 0.000 -2.732) 7.868 3.233 ( 1.153 0.000 5.051) 5.181 3.311 ( -5.757 0.000 4.188) 7.119 3.424 ( 10.676 0.000 2.998) 11.089 3.621 ( -7.247 0.000 -4.966) 8.785 3.691 ( -0.963 0.000 3.646) 3.771 3.749 ( -6.045 0.000 1.255) 6.174 3.879 ( 3.013 0.000 -6.024) 6.736 3.966 ( -4.995 0.000 -6.330) 8.063 4.418 ( 24.767 0.000 -18.228) 30.751 4.523 ( 17.151 0.000 -8.795) 19.274 4.901 ( -23.721 0.000 -22.038) 32.378 4.927 ( -23.967 0.000 -19.046) 30.613 5.416 ( 10.634 0.000 5.705) 12.068 5.609 ( -8.474 0.000 3.752) 9.268 5.903 ( 11.076 0.000 13.131) 17.179 5.925 ( 14.088 0.000 5.362) 15.074 6.053 ( -3.721 0.000 12.153) 12.710 6.104 ( -2.720 0.000 6.766) 7.292 6.659 ( 7.323 0.000 -3.388) 8.069 6.809 ( -7.416 0.000 -5.229) 9.074 6.822 ( 1.589 0.000 2.764) 3.188 6.860 ( -2.024 0.000 4.036) 4.515 7.711 ( 8.631 0.000 0.867) 8.674 7.855 ( -4.147 0.000 -0.123) 4.149 7.987 ( 2.885 0.000 -3.097) 4.233 8.049 ( -5.707 0.000 -8.019) 9.842 8.190 ( 8.239 0.000 7.839) 11.372 8.297 ( -2.815 0.000 4.544) 5.345 9.022 ( 6.873 0.000 11.910) 13.751 9.167 ( -7.731 0.000 9.544) 12.283 9.564 ( 5.030 0.000 8.789) 10.126 9.599 ( 10.552 0.000 -8.770) 13.720 9.637 ( -2.348 0.000 7.654) 8.006 9.794 ( -9.167 0.000 -11.907) 15.027 10.522 ( 11.945 0.000 3.219) 12.371 10.545 ( 5.735 0.000 -4.183) 7.098 10.641 ( -3.952 0.000 -6.976) 8.017 10.743 ( -10.414 0.000 -2.179) 10.639 12.300 ( 4.714 0.000 11.576) 12.499 12.408 ( -6.348 0.000 9.747) 11.632 12.970 ( 0.050 0.000 4.576) 4.576 12.971 ( -0.013 0.000 4.504) 4.504 14.621 ( 10.452 0.000 -10.054) 14.502 14.904 ( -18.471 0.000 -18.473) 26.123 17.572 ( 23.890 0.000 20.109) 31.227 17.585 ( 29.809 0.000 23.151) 37.744 17.931 ( -12.593 0.000 9.078) 15.525 18.053 ( -16.908 0.000 13.144) 21.416 18.251 ( 1.144 0.000 0.947) 1.485 18.274 ( -1.204 0.000 1.055) 1.600 20.075 ( 4.709 0.000 -13.561) 14.355 20.235 ( -10.446 0.000 -13.815) 17.319 20.860 ( 4.915 0.000 -2.815) 5.664 20.976 ( -6.660 0.000 -5.470) 8.618 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.000 -5.637 22.709) 23.398 1.931 ( 0.000 10.634 20.842) 23.398 2.643 ( 0.000 -12.415 -9.564) 15.672 2.738 ( 0.000 9.126 -4.559) 10.202 2.986 ( 0.000 -6.056 -8.371) 10.332 3.196 ( 0.000 -12.176 -2.967) 12.532 3.205 ( 0.000 4.721 0.086) 4.722 3.266 ( 0.000 -1.397 -1.678) 2.183 3.336 ( 0.000 3.807 -11.087) 11.722 3.500 ( 0.000 -5.882 6.563) 8.813 3.854 ( 0.000 -1.138 -0.771) 1.375 4.004 ( 0.000 7.747 15.275) 17.127 4.078 ( 0.000 -1.829 -7.033) 7.267 4.289 ( 0.000 10.315 -0.959) 10.359 4.500 ( 0.000 2.346 21.905) 22.031 4.723 ( 0.000 6.781 9.038) 11.299 4.850 ( 0.000 -4.567 9.631) 10.659 5.029 ( 0.000 5.932 1.890) 6.226 5.110 ( 0.000 7.176 11.355) 13.432 5.227 ( 0.000 15.401 5.268) 16.277 5.530 ( 0.000 -5.022 23.484) 24.015 5.900 ( 0.000 1.669 -15.105) 15.197 5.969 ( 0.000 -1.844 -6.506) 6.763 6.247 ( 0.000 -6.542 -13.366) 14.881 6.679 ( 0.000 -1.284 -21.030) 21.069 6.791 ( 0.000 2.817 -17.375) 17.602 6.826 ( 0.000 -9.652 1.321) 9.742 6.856 ( 0.000 7.797 -2.147) 8.088 7.216 ( 0.000 3.512 -9.576) 10.200 7.361 ( 0.000 4.936 13.150) 14.046 7.464 ( 0.000 -14.560 -3.836) 15.057 7.810 ( 0.000 -3.706 -3.295) 4.959 8.095 ( 0.000 -1.309 10.518) 10.599 8.544 ( 0.000 -3.816 19.292) 19.666 8.910 ( 0.000 -0.723 17.263) 17.278 9.070 ( 0.000 5.193 -16.395) 17.198 9.207 ( 0.000 -1.407 2.435) 2.812 9.296 ( 0.000 -0.867 -4.981) 5.056 9.513 ( 0.000 3.566 -5.357) 6.436 9.940 ( 0.000 -2.280 -12.137) 12.349 10.138 ( 0.000 4.012 13.721) 14.296 10.308 ( 0.000 0.302 2.926) 2.942 10.760 ( 0.000 0.921 -10.891) 10.930 11.097 ( 0.000 -1.369 -12.224) 12.301 12.223 ( 0.000 2.974 14.336) 14.641 12.863 ( 0.000 -5.781 9.001) 10.698 12.870 ( 0.000 -0.870 -4.733) 4.812 13.127 ( 0.000 -6.414 1.340) 6.552 15.210 ( 0.000 17.505 17.917) 25.049 15.523 ( 0.000 1.037 32.988) 33.004 15.662 ( 0.000 -0.711 31.707) 31.715 16.756 ( 0.000 7.131 -33.057) 33.817 17.314 ( 0.000 0.217 -22.581) 22.582 17.345 ( 0.000 -0.220 -21.357) 21.358 17.920 ( 0.000 -25.869 2.227) 25.964 18.073 ( 0.000 -17.419 -3.168) 17.705 20.818 ( 0.000 2.396 7.551) 7.922 20.893 ( 0.000 5.488 0.159) 5.490 20.999 ( 0.000 10.862 6.033) 12.425 21.333 ( 0.000 2.878 -2.174) 3.606 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 8.290 -5.689 20.710) 23.022 1.976 ( 4.061 9.990 19.591) 22.363 2.645 ( 0.137 -12.104 -10.021) 15.714 2.766 ( 1.739 5.074 -6.598) 8.503 3.009 ( 1.220 -7.491 -7.654) 10.779 3.114 ( -4.840 -7.475 -0.475) 8.918 3.243 ( -1.453 2.074 -6.323) 6.811 3.254 ( 1.584 1.855 3.060) 3.913 3.359 ( 1.972 3.375 -9.295) 10.083 3.459 ( -2.695 -9.762 0.667) 10.149 3.813 ( -4.097 -0.363 -0.364) 4.129 4.008 ( -3.982 -0.990 -0.263) 4.111 4.088 ( 5.058 5.742 9.008) 11.819 4.309 ( 1.897 15.133 -0.168) 15.252 4.413 ( -8.681 2.611 16.974) 19.243 4.526 ( -13.707 4.832 14.829) 20.763 4.930 ( -0.244 1.844 0.466) 1.918 5.008 ( 8.444 0.838 9.913) 13.049 5.246 ( 2.833 12.163 3.171) 12.885 5.316 ( 15.014 3.943 12.066) 19.661 5.633 ( 8.146 -1.801 17.321) 19.225 5.828 ( -0.957 0.828 -4.473) 4.648 6.098 ( -0.444 -1.505 -12.554) 12.652 6.305 ( 10.420 -4.957 -15.376) 19.224 6.555 ( -17.605 1.632 -16.921) 24.473 6.654 ( -5.194 -1.798 -8.335) 9.984 6.726 ( -3.087 -1.918 -12.880) 13.383 7.056 ( 11.397 4.249 0.048) 12.164 7.205 ( 1.372 -1.873 -5.519) 5.988 7.472 ( 10.354 3.098 12.169) 16.275 7.566 ( 7.787 -8.319 -2.194) 11.604 7.888 ( 4.134 -4.157 1.265) 5.997 8.006 ( -3.268 0.086 6.728) 7.480 8.682 ( 10.070 -6.361 15.580) 19.611 8.884 ( -8.256 2.764 -1.180) 8.786 8.954 ( -0.958 4.109 1.827) 4.598 9.237 ( 2.768 -1.603 3.705) 4.895 9.376 ( 4.185 -1.921 -4.936) 6.750 9.539 ( 2.467 2.802 -4.835) 6.109 9.954 ( 1.309 -2.274 -12.884) 13.148 10.151 ( 1.352 3.805 13.432) 14.026 10.317 ( 0.935 0.214 2.706) 2.871 10.743 ( -1.638 0.608 -10.116) 10.265 11.077 ( -2.025 -1.388 -11.730) 11.985 12.225 ( 0.232 3.315 14.176) 14.560 12.822 ( -4.857 -1.301 -2.708) 5.711 12.869 ( 0.640 -4.910 9.268) 10.508 13.074 ( -4.548 -5.385 1.647) 7.238 14.966 ( -14.342 15.102 16.785) 26.749 15.829 ( 17.727 -1.836 31.367) 36.076 15.898 ( 26.423 4.077 30.898) 40.859 16.428 ( -24.738 7.397 -30.286) 39.798 17.495 ( 13.803 -4.961 -20.882) 25.519 17.595 ( 19.755 0.810 -21.691) 29.350 17.923 ( 0.403 -25.595 2.160) 25.689 18.079 ( 0.788 -15.783 -3.529) 16.192 20.781 ( -10.271 7.504 1.279) 12.784 20.793 ( -2.977 3.135 5.235) 6.789 20.963 ( -3.554 10.416 5.699) 12.394 21.304 ( -2.833 2.400 -2.653) 4.563 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 4.608 9.577 15.194) 18.542 2.131 ( 13.201 -6.814 15.565) 21.516 2.637 ( -1.418 -11.434 -8.436) 14.280 2.760 ( -2.631 -0.041 -6.539) 7.049 2.981 ( -3.970 -8.520 -5.307) 10.794 3.048 ( -1.863 -6.812 -0.634) 7.090 3.198 ( -2.238 3.091 -7.003) 7.975 3.269 ( -2.076 0.223 3.419) 4.006 3.398 ( 1.747 -5.689 -3.480) 6.894 3.455 ( 2.394 -5.747 -13.316) 14.699 3.726 ( -3.880 -2.666 0.495) 4.734 3.885 ( -7.119 -2.629 -6.111) 9.743 4.190 ( -11.091 2.066 6.992) 13.273 4.225 ( 1.435 14.181 14.623) 20.420 4.273 ( -1.315 4.073 16.329) 16.880 4.376 ( -0.297 21.146 -1.280) 21.187 4.990 ( 7.017 3.851 1.209) 8.095 5.238 ( 13.597 0.676 7.405) 15.497 5.349 ( 7.712 2.551 0.395) 8.132 5.597 ( 10.168 -1.046 10.405) 14.586 5.713 ( -0.180 -1.936 -1.378) 2.384 5.915 ( 3.918 4.431 2.020) 6.250 5.990 ( -1.605 3.614 -5.863) 7.072 6.119 ( -22.492 6.269 -13.813) 27.129 6.477 ( 2.472 -5.999 -5.546) 8.535 6.656 ( 2.548 -7.796 -11.679) 14.271 6.706 ( 2.604 -2.028 -1.764) 3.742 7.166 ( 0.654 9.324 -10.282) 13.895 7.339 ( 10.684 -3.859 5.325) 12.545 7.682 ( 9.451 -4.170 3.258) 10.831 7.746 ( 9.763 -0.262 6.302) 11.624 7.884 ( 2.260 4.943 8.715) 10.271 8.077 ( 4.494 -7.841 -2.806) 9.463 8.669 ( -10.723 10.565 -11.332) 18.842 8.818 ( 4.027 -4.470 14.272) 15.489 9.076 ( 10.674 -2.067 6.913) 12.884 9.311 ( 4.747 -2.300 5.141) 7.366 9.404 ( -1.184 -2.936 -1.596) 3.546 9.594 ( 2.689 0.552 -2.232) 3.539 9.974 ( 0.107 -2.033 -15.005) 15.142 10.198 ( 3.897 2.908 12.816) 13.707 10.350 ( 2.658 -0.101 1.637) 3.123 10.703 ( -2.354 -0.640 -8.441) 8.786 11.017 ( -4.221 -1.352 -10.203) 11.124 12.237 ( 1.190 4.015 13.650) 14.278 12.697 ( -7.392 0.045 3.623) 8.232 12.887 ( 1.143 -5.033 7.791) 9.346 12.990 ( -3.568 -4.183 1.329) 5.656 14.754 ( -7.116 16.717 9.286) 20.404 15.923 ( -25.316 9.541 -27.224) 38.381 16.288 ( 28.338 -3.865 29.251) 40.910 16.467 ( 30.605 2.996 30.508) 43.317 17.765 ( 10.819 -18.568 -13.878) 25.582 17.926 ( 8.389 -10.139 -8.739) 15.797 17.943 ( 6.521 -13.954 -4.030) 15.921 18.118 ( 3.655 -8.228 -5.286) 10.440 20.531 ( -13.497 12.363 0.647) 18.315 20.721 ( -4.988 5.964 -1.376) 7.896 20.878 ( -4.394 7.739 5.429) 10.424 21.228 ( -4.919 1.631 -3.950) 6.516 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 5.122 9.038 6.581) 12.298 2.385 ( 10.794 -8.814 9.155) 16.673 2.590 ( -2.633 -4.999 -5.848) 8.132 2.700 ( -2.238 -6.506 -2.859) 7.450 2.869 ( -6.341 -4.238 -1.020) 7.694 3.063 ( 2.518 -6.022 -1.059) 6.613 3.125 ( -5.590 -1.294 -3.417) 6.679 3.206 ( -2.116 -5.686 1.176) 6.180 3.395 ( -2.518 -1.916 -2.008) 3.748 3.498 ( 1.213 -8.988 -7.553) 11.803 3.633 ( -7.778 -8.486 -1.091) 11.562 3.765 ( -6.150 -4.302 -5.907) 9.551 4.059 ( 1.199 1.883 -0.910) 2.411 4.203 ( 4.486 3.751 1.988) 6.177 4.340 ( -2.447 25.781 -3.166) 26.089 4.441 ( 10.190 19.113 7.446) 22.904 5.147 ( 4.228 2.937 -5.461) 7.505 5.357 ( -9.746 0.777 -8.560) 12.995 5.422 ( -6.849 -2.034 -15.430) 17.004 5.614 ( 2.401 2.064 -6.594) 7.315 5.680 ( 5.198 -1.894 9.171) 10.711 5.870 ( 0.223 10.102 8.889) 13.458 5.985 ( 5.857 0.302 7.284) 9.351 6.135 ( 7.138 4.717 12.189) 14.892 6.488 ( 0.863 -4.056 -2.829) 5.020 6.649 ( -1.900 -11.126 -8.862) 14.351 6.803 ( 4.928 -0.880 4.715) 6.877 7.132 ( -4.020 8.479 -5.163) 10.710 7.542 ( 9.981 -0.093 3.264) 10.501 7.825 ( 4.954 -2.281 0.679) 5.496 7.868 ( 5.110 -1.998 3.196) 6.349 8.038 ( 6.642 1.744 5.833) 9.010 8.107 ( 1.564 -3.320 -1.439) 3.942 8.503 ( -6.456 12.336 -6.523) 15.376 8.895 ( 4.800 -1.956 12.673) 13.692 9.252 ( 1.504 -2.425 5.917) 6.569 9.376 ( 5.220 -2.822 -1.503) 6.121 9.423 ( 5.324 -3.642 4.114) 7.651 9.626 ( 0.468 -1.964 2.471) 3.191 9.933 ( -4.759 -1.167 -14.675) 15.471 10.309 ( 7.318 0.304 9.677) 12.136 10.428 ( 5.674 -0.291 -1.057) 5.779 10.651 ( -3.188 -2.695 -6.539) 7.758 10.912 ( -6.749 -1.021 -7.655) 10.257 12.274 ( 2.679 4.383 12.648) 13.651 12.557 ( -6.821 1.465 7.512) 10.252 12.909 ( 0.919 -4.965 6.388) 8.143 12.941 ( -1.528 -3.889 2.405) 4.821 14.698 ( 1.393 17.948 0.059) 18.002 15.455 ( -22.471 12.829 -23.129) 34.706 16.881 ( 31.380 -7.985 25.740) 41.364 17.059 ( 29.691 1.501 26.967) 40.137 17.860 ( 0.140 -27.350 -3.896) 27.626 17.961 ( 1.564 -22.991 1.736) 23.109 18.101 ( 2.366 -1.902 -2.685) 4.053 18.181 ( 0.499 -1.371 -1.561) 2.136 20.323 ( -6.700 16.351 -4.848) 18.324 20.592 ( -8.222 11.604 -8.468) 16.552 20.829 ( -0.102 2.956 2.373) 3.792 21.117 ( -6.415 1.099 -5.362) 8.433 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 7.026 6.007 -1.772) 9.413 2.404 ( -6.598 -0.314 -5.650) 8.692 2.615 ( 3.469 -6.994 3.682) 8.632 2.679 ( -2.412 -10.874 1.020) 11.185 2.834 ( 4.971 -0.806 3.474) 6.118 2.969 ( -7.468 -1.912 -0.476) 7.724 3.154 ( 4.401 -6.363 3.547) 8.511 3.231 ( 2.511 -8.124 2.279) 8.803 3.308 ( -3.348 -2.020 -0.806) 3.992 3.422 ( -9.091 -11.878 1.383) 15.021 3.561 ( 2.218 -7.297 -6.972) 10.334 3.637 ( -5.586 -6.128 -5.278) 9.829 4.161 ( 5.815 8.922 -6.101) 12.273 4.256 ( -3.981 19.540 -5.052) 20.571 4.438 ( 17.068 1.023 -11.388) 20.544 4.679 ( 12.275 14.354 -8.449) 20.691 4.870 ( -19.241 1.487 -16.748) 25.552 5.062 ( -19.497 10.052 -18.411) 28.638 5.469 ( 9.899 4.723 4.518) 11.862 5.624 ( -4.785 1.598 1.396) 5.235 5.863 ( 9.669 -1.819 10.599) 14.461 5.973 ( 1.475 -3.073 8.553) 9.207 6.057 ( 6.216 5.386 9.675) 12.698 6.185 ( -2.800 3.797 9.997) 11.054 6.532 ( 3.212 -5.936 -2.430) 7.174 6.596 ( -3.265 -9.150 -3.617) 10.366 6.903 ( 5.847 2.937 5.157) 8.331 7.026 ( -6.399 6.740 0.923) 9.340 7.722 ( 8.539 0.925 1.221) 8.676 7.851 ( -3.378 -0.314 1.046) 3.550 7.950 ( 3.200 -3.022 0.119) 4.403 8.001 ( -3.018 -3.937 -2.811) 5.702 8.259 ( 8.314 6.524 4.370) 11.436 8.393 ( -5.774 8.692 0.108) 10.435 9.011 ( 7.032 -1.070 10.365) 12.571 9.155 ( -7.379 -1.307 8.221) 11.124 9.521 ( 4.572 -3.957 6.491) 8.871 9.555 ( 5.768 -3.357 -5.058) 8.374 9.628 ( 3.082 -2.016 2.364) 4.376 9.795 ( -9.108 -0.686 -10.961) 14.267 10.454 ( 6.998 -3.571 2.681) 8.302 10.558 ( 1.393 -2.446 -2.964) 4.088 10.588 ( 2.674 -1.323 -3.255) 4.415 10.757 ( -9.055 -0.178 -4.653) 10.182 12.341 ( 4.228 3.956 11.172) 12.583 12.437 ( -5.599 2.839 9.496) 11.384 12.920 ( 0.348 -4.648 5.192) 6.977 12.926 ( -0.327 -4.203 4.146) 5.912 14.807 ( 9.790 17.668 -9.094) 22.152 15.069 ( -17.050 15.774 -16.984) 28.775 17.439 ( 24.417 -15.655 17.525) 33.888 17.578 ( 21.845 -3.221 19.206) 29.265 17.795 ( -6.676 -21.397 5.350) 23.044 17.966 ( -8.231 -8.082 9.483) 14.933 18.032 ( -1.981 -11.042 5.145) 12.342 18.109 ( -6.123 -4.654 5.501) 9.456 20.296 ( 3.544 16.948 -11.096) 20.565 20.423 ( -8.548 14.922 -11.794) 20.852 20.875 ( 4.550 1.175 -3.101) 5.630 20.988 ( -6.663 0.883 -5.638) 8.773 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.000 4.816 10.325) 11.393 2.176 ( 0.000 6.723 10.105) 12.137 2.383 ( 0.000 -6.482 -1.717) 6.706 2.780 ( 0.000 -7.574 1.239) 7.675 2.863 ( 0.000 -4.081 -11.804) 12.490 2.994 ( 0.000 -5.249 -9.718) 11.045 3.249 ( 0.000 -0.247 -4.805) 4.812 3.297 ( 0.000 -3.086 -12.877) 13.241 3.340 ( 0.000 7.200 -1.424) 7.339 3.467 ( 0.000 -0.838 -2.801) 2.924 3.783 ( 0.000 -3.580 -1.017) 3.721 3.935 ( 0.000 -9.417 -6.009) 11.170 4.295 ( 0.000 17.541 21.556) 27.791 4.531 ( 0.000 10.063 -2.147) 10.290 4.625 ( 0.000 10.088 28.394) 30.133 4.740 ( 0.000 -6.107 12.597) 13.999 4.769 ( 0.000 -1.313 1.917) 2.324 5.224 ( 0.000 -4.711 18.422) 19.015 5.283 ( 0.000 16.513 7.237) 18.029 5.437 ( 0.000 6.361 12.220) 13.777 5.639 ( 0.000 16.291 3.314) 16.625 5.918 ( 0.000 -3.004 -7.817) 8.374 5.944 ( 0.000 2.535 -0.912) 2.694 6.097 ( 0.000 -4.972 -13.350) 14.246 6.487 ( 0.000 -13.767 5.966) 15.004 6.716 ( 0.000 -7.617 -15.689) 17.440 6.756 ( 0.000 1.798 -29.329) 29.384 7.049 ( 0.000 -5.628 -5.099) 7.594 7.168 ( 0.000 -0.709 -5.182) 5.230 7.334 ( 0.000 7.121 -9.389) 11.784 7.398 ( 0.000 -1.363 9.817) 9.911 7.681 ( 0.000 -8.241 -2.977) 8.762 8.134 ( 0.000 5.450 15.769) 16.684 8.438 ( 0.000 -6.299 19.734) 20.715 8.916 ( 0.000 2.138 13.400) 13.569 9.141 ( 0.000 -5.351 4.526) 7.008 9.186 ( 0.000 4.686 -11.747) 12.647 9.267 ( 0.000 -1.383 -6.096) 6.251 9.601 ( 0.000 5.416 -8.685) 10.235 9.872 ( 0.000 -4.825 -12.307) 13.219 10.225 ( 0.000 4.084 11.844) 12.529 10.315 ( 0.000 -0.029 4.586) 4.586 10.810 ( 0.000 4.163 -10.872) 11.642 11.038 ( 0.000 -4.433 -11.122) 11.973 12.322 ( 0.000 6.641 12.232) 13.918 12.695 ( 0.000 -9.617 7.508) 12.200 12.863 ( 0.000 0.215 -0.619) 0.656 12.986 ( 0.000 -6.278 2.712) 6.839 15.552 ( 0.000 1.705 32.759) 32.803 15.609 ( 0.000 3.232 29.051) 29.231 15.749 ( 0.000 26.176 16.894) 31.155 16.965 ( 0.000 12.785 -27.965) 30.749 17.246 ( 0.000 -37.220 5.031) 37.558 17.320 ( 0.000 0.350 -22.360) 22.363 17.338 ( 0.000 -0.365 -21.570) 21.573 17.669 ( 0.000 -20.064 -10.415) 22.607 20.889 ( 0.000 3.998 7.836) 8.797 20.973 ( 0.000 1.634 2.404) 2.907 21.224 ( 0.000 9.665 3.251) 10.197 21.387 ( 0.000 1.498 -0.570) 1.603 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 6.359 3.381 8.936) 11.477 2.221 ( 4.031 6.888 9.063) 12.076 2.378 ( -0.408 -6.553 -2.634) 7.074 2.777 ( 0.112 -6.763 -1.254) 6.879 2.892 ( 1.813 -4.088 -9.468) 10.471 2.981 ( -2.150 -1.038 -8.243) 8.582 3.242 ( -1.728 -2.335 -7.134) 7.703 3.267 ( -2.828 -4.034 0.748) 4.983 3.332 ( -0.237 0.215 -11.084) 11.089 3.401 ( -5.317 0.745 -2.680) 6.000 3.744 ( -4.048 -3.676 -2.077) 5.849 3.901 ( -3.186 -6.774 -6.324) 9.799 4.355 ( 4.424 12.723 18.032) 22.508 4.492 ( -11.546 4.340 19.781) 23.312 4.555 ( -1.454 8.812 7.520) 11.675 4.663 ( 0.685 9.087 10.196) 13.675 4.896 ( 7.998 -2.089 4.834) 9.576 5.114 ( 0.923 3.312 11.123) 11.642 5.448 ( 8.790 8.648 6.518) 13.948 5.544 ( 0.343 8.904 2.375) 9.221 5.609 ( 3.503 5.074 10.524) 12.198 5.824 ( -0.877 -2.596 0.853) 2.870 6.099 ( 5.759 3.164 -5.414) 8.514 6.202 ( 9.845 -3.157 -12.353) 16.108 6.523 ( 1.605 -8.141 2.506) 8.667 6.555 ( -9.221 -5.624 -12.718) 16.686 6.661 ( -12.441 0.184 -24.549) 27.523 7.054 ( 2.432 -11.715 -3.722) 12.530 7.247 ( 8.261 7.612 -4.839) 12.232 7.428 ( 7.651 1.727 -6.101) 9.937 7.516 ( 10.142 -1.701 6.444) 12.136 7.760 ( 7.067 -8.445 -3.143) 11.451 8.095 ( -2.398 9.017 15.032) 17.692 8.522 ( 7.131 -8.902 17.357) 20.769 8.922 ( 0.371 2.773 10.272) 10.646 9.097 ( -5.121 7.266 -7.827) 11.844 9.162 ( 1.928 -5.720 4.897) 7.773 9.312 ( 1.624 -3.867 -4.889) 6.442 9.613 ( 1.000 4.878 -8.748) 10.065 9.882 ( 0.841 -5.217 -13.052) 14.082 10.233 ( 0.865 3.868 11.517) 12.180 10.321 ( 0.700 -0.130 4.436) 4.493 10.790 ( -2.071 4.163 -10.044) 11.068 11.018 ( -2.063 -4.435 -10.795) 11.851 12.331 ( 0.934 6.945 12.077) 13.963 12.700 ( 0.402 -9.047 6.597) 11.204 12.829 ( -3.375 0.283 1.893) 3.879 12.951 ( -3.123 -5.690 2.508) 6.958 15.352 ( -9.959 19.369 19.048) 28.934 15.771 ( 14.259 -3.950 30.603) 33.992 16.064 ( 23.311 13.971 25.116) 37.005 16.644 ( -22.037 13.239 -25.591) 36.275 17.264 ( 1.912 -35.373 4.794) 35.747 17.300 ( -2.831 -14.760 -15.904) 21.882 17.621 ( 19.637 1.712 -21.057) 28.843 17.794 ( 11.128 -9.524 -13.704) 20.059 20.865 ( -2.340 3.672 6.675) 7.970 20.906 ( -6.439 3.487 2.399) 7.706 21.185 ( -3.909 9.676 2.292) 10.684 21.350 ( -3.606 1.285 -1.309) 4.046 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 10.526 -0.139 6.597) 12.423 2.306 ( 4.335 6.444 5.166) 9.327 2.371 ( -0.205 -4.595 -2.421) 5.198 2.783 ( -0.693 -1.633 -3.891) 4.276 2.887 ( -5.885 1.060 -5.252) 7.959 2.906 ( -0.268 -4.500 -4.596) 6.438 3.130 ( -8.052 -11.575 -1.792) 14.214 3.243 ( -1.357 0.095 -1.787) 2.246 3.293 ( -4.186 -8.270 -9.578) 13.328 3.353 ( 1.019 -1.534 -4.725) 5.071 3.654 ( -4.816 -1.137 -3.153) 5.868 3.820 ( -5.470 -4.098 -7.746) 10.330 4.224 ( -11.984 1.752 12.563) 17.450 4.278 ( -9.882 -0.207 14.604) 17.635 4.665 ( 12.759 22.123 16.821) 30.581 4.785 ( 7.508 14.641 -1.140) 16.494 5.064 ( 10.191 3.742 1.938) 11.028 5.299 ( 14.691 2.767 10.389) 18.204 5.421 ( -6.732 4.668 -7.858) 11.352 5.569 ( -0.907 -1.840 1.859) 2.768 5.691 ( 2.150 -0.331 -0.195) 2.184 5.912 ( 7.339 -6.826 10.636) 14.614 6.073 ( -7.355 5.396 -13.930) 16.651 6.330 ( -12.944 13.217 -9.536) 20.813 6.388 ( 7.982 -1.678 -6.089) 10.179 6.479 ( -0.170 -6.084 -9.033) 10.892 6.624 ( 5.801 -5.894 8.961) 12.194 7.126 ( 3.911 -12.661 -1.376) 13.323 7.417 ( 8.625 8.599 -4.452) 12.968 7.618 ( 10.993 0.458 -3.337) 11.497 7.706 ( 7.988 -3.352 4.911) 9.958 7.897 ( 5.218 -8.720 -3.029) 10.604 8.102 ( 4.714 14.330 12.097) 19.337 8.670 ( 7.689 -9.812 12.125) 17.390 8.884 ( -4.925 9.261 -4.379) 11.367 9.082 ( 4.681 3.164 6.396) 8.534 9.218 ( 3.648 -7.084 4.603) 9.202 9.308 ( -1.702 -5.555 -0.710) 5.853 9.625 ( -0.103 3.282 -7.133) 7.853 9.892 ( -0.288 -6.250 -14.484) 15.778 10.263 ( 2.424 3.162 10.734) 11.450 10.347 ( 2.211 -0.449 3.249) 3.955 10.733 ( -3.787 3.821 -7.914) 9.570 10.958 ( -4.179 -4.444 -9.709) 11.467 12.358 ( 1.886 7.528 11.611) 13.966 12.691 ( -2.653 -2.841 3.649) 5.332 12.765 ( -1.530 -4.040 8.064) 9.149 12.887 ( -3.114 -5.301 2.290) 6.560 15.220 ( -3.583 26.932 9.836) 28.895 16.114 ( 13.122 -6.185 17.144) 22.458 16.240 ( -11.927 13.100 -14.175) 22.689 16.566 ( 27.200 7.054 27.117) 39.050 17.237 ( -3.020 -28.280 -10.247) 30.231 17.336 ( 5.438 -30.014 6.708) 31.231 17.951 ( 13.339 1.156 -14.045) 19.405 18.024 ( 10.882 -2.612 -11.827) 16.283 20.754 ( -8.274 7.767 0.886) 11.383 20.813 ( -2.602 3.067 2.973) 5.001 21.080 ( -6.724 9.627 -0.150) 11.744 21.257 ( -5.814 0.573 -3.193) 6.658 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 9.819 -3.194 5.104) 11.518 2.370 ( 1.698 -9.783 -3.167) 10.422 2.387 ( 2.766 13.364 3.041) 13.982 2.685 ( -6.601 2.822 -1.100) 7.263 2.834 ( -2.074 0.364 -4.799) 5.241 2.932 ( 3.368 -7.181 -0.423) 7.943 2.964 ( -7.361 -11.440 -0.358) 13.608 3.191 ( -3.256 2.632 -2.590) 4.923 3.239 ( -1.701 -13.292 -6.339) 14.824 3.362 ( -1.154 -5.192 -2.773) 5.998 3.521 ( -9.084 -0.331 -0.074) 9.090 3.671 ( -9.641 -4.980 -4.514) 11.753 4.110 ( 2.260 2.894 -0.927) 3.787 4.210 ( 4.081 -1.244 0.546) 4.302 4.821 ( -6.144 19.380 -5.920) 21.175 4.916 ( 11.622 23.042 10.077) 27.705 5.211 ( -7.791 2.539 -11.775) 14.346 5.349 ( 1.566 -4.169 -8.635) 9.716 5.385 ( -0.038 0.561 -2.433) 2.497 5.629 ( 13.313 -0.490 8.511) 15.809 5.708 ( -0.444 4.343 -6.502) 7.832 5.946 ( -4.003 -0.172 1.981) 4.470 6.044 ( 3.048 -8.761 6.282) 11.203 6.122 ( -6.060 1.004 -2.606) 6.673 6.521 ( 4.333 5.943 4.041) 8.392 6.541 ( 5.430 5.845 -0.572) 7.998 6.751 ( 7.285 -3.499 9.380) 12.382 7.159 ( -1.399 -7.734 0.396) 7.869 7.587 ( 8.931 4.972 -0.416) 10.230 7.792 ( 5.824 0.350 1.726) 6.084 7.826 ( 5.306 -3.216 3.929) 7.344 7.930 ( -0.873 -6.176 -0.053) 6.238 8.270 ( 10.522 13.617 4.515) 17.791 8.766 ( -6.689 12.629 -5.803) 15.424 8.816 ( 7.331 -6.593 7.973) 12.680 9.189 ( -0.924 -4.415 6.007) 7.512 9.280 ( 7.499 -6.366 -2.411) 10.127 9.327 ( 5.159 -4.132 6.627) 9.360 9.602 ( -2.385 0.989 -2.962) 3.929 9.852 ( -4.234 -6.902 -14.047) 16.214 10.328 ( 4.211 1.823 8.360) 9.536 10.418 ( 5.405 -1.067 0.615) 5.543 10.646 ( -5.147 2.751 -5.017) 7.697 10.856 ( -6.357 -4.348 -7.708) 10.896 12.402 ( 2.618 7.745 10.820) 13.561 12.608 ( -4.670 3.457 6.316) 8.582 12.771 ( 1.081 -7.884 7.294) 10.795 12.838 ( -1.951 -5.815 3.374) 7.000 15.212 ( 2.671 30.797 1.217) 30.936 15.834 ( -17.562 23.491 -18.209) 34.523 16.563 ( 19.415 -24.347 15.092) 34.605 17.036 ( 12.429 -14.947 11.140) 22.405 17.237 ( 10.995 -17.560 7.473) 22.024 17.497 ( 11.636 -18.052 11.328) 24.282 18.101 ( 1.438 0.803 -2.508) 3.000 18.153 ( 1.273 -1.447 -2.251) 2.963 20.629 ( -3.693 11.688 -3.599) 12.775 20.779 ( -0.912 4.246 -3.516) 5.588 20.941 ( -6.791 8.028 -2.459) 10.799 21.132 ( -7.027 -0.252 -5.274) 8.789 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 2.366 -1.412 1.746) 3.261 2.388 ( -0.534 2.940 1.381) 3.292 2.485 ( 6.567 -3.533 -0.718) 7.492 2.585 ( -4.118 1.102 0.329) 4.276 2.801 ( -0.302 0.332 1.452) 1.520 2.842 ( -4.344 -7.293 1.677) 8.653 3.035 ( 5.726 -6.593 -0.448) 8.744 3.141 ( -3.569 -4.459 0.993) 5.798 3.213 ( 0.279 -6.197 -4.777) 7.829 3.282 ( -5.464 -0.315 -3.203) 6.341 3.413 ( -0.229 -5.724 -0.589) 5.759 3.493 ( -7.607 -7.407 -3.249) 11.103 4.284 ( 13.815 4.456 -12.119) 18.909 4.412 ( 15.554 -1.157 -11.527) 19.394 4.587 ( -15.229 10.167 -13.315) 22.640 4.795 ( -21.713 -0.960 -17.154) 27.688 5.163 ( 9.368 21.178 1.261) 23.192 5.315 ( -4.993 12.820 -8.150) 15.991 5.582 ( 10.102 5.397 3.285) 11.915 5.689 ( -0.916 5.017 -0.144) 5.102 5.809 ( 3.271 -3.313 5.674) 7.339 5.861 ( -3.918 -6.670 5.542) 9.516 6.058 ( 1.907 -7.596 2.068) 8.100 6.099 ( -0.600 -10.799 3.856) 11.482 6.586 ( 2.681 9.995 6.766) 12.364 6.610 ( 0.831 10.628 5.250) 11.883 6.910 ( 8.892 -2.431 6.844) 11.481 7.071 ( -7.098 -3.278 3.161) 8.433 7.748 ( 7.212 1.784 2.816) 7.945 7.845 ( -1.589 -0.180 3.324) 3.688 7.888 ( 1.310 -2.485 4.642) 5.426 7.905 ( -0.262 -4.994 1.792) 5.312 8.463 ( 9.184 13.168 -0.105) 16.055 8.626 ( -7.783 13.214 -3.040) 15.634 8.959 ( 7.310 -5.131 5.346) 10.409 9.093 ( -6.461 -5.656 4.276) 9.593 9.426 ( 5.687 -3.923 3.415) 7.707 9.492 ( 6.797 -2.742 -4.637) 8.673 9.548 ( 0.635 -3.941 1.396) 4.229 9.722 ( -9.046 -6.513 -10.145) 15.072 10.423 ( 5.503 1.022 3.337) 6.517 10.531 ( -3.253 1.226 -1.344) 3.727 10.559 ( 5.452 -2.190 -2.042) 6.221 10.715 ( -8.075 -3.804 -4.943) 10.203 12.458 ( 3.167 7.142 9.726) 12.476 12.525 ( -3.853 5.687 8.344) 10.808 12.791 ( 0.967 -7.551 6.042) 9.719 12.810 ( -1.059 -6.721 4.848) 8.355 15.320 ( 8.405 31.225 -6.557) 32.995 15.532 ( -13.444 28.548 -13.120) 34.174 16.860 ( 11.191 -37.158 3.751) 38.987 17.019 ( -5.807 -39.140 -2.333) 39.637 17.651 ( 22.149 1.303 19.095) 29.272 17.778 ( 16.121 -5.737 14.549) 22.460 17.995 ( -12.148 0.827 9.938) 15.717 18.057 ( -10.751 -1.885 8.948) 14.114 20.626 ( 3.181 13.365 -8.128) 15.963 20.724 ( -5.618 12.382 -9.206) 16.421 20.892 ( 2.800 0.011 -4.034) 4.911 20.995 ( -6.786 -0.786 -6.180) 9.212 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 -12.405 -1.175) 12.461 1.999 ( 0.000 12.405 -1.175) 12.461 2.564 ( 0.000 -12.189 7.914) 14.533 2.564 ( 0.000 12.189 7.914) 14.533 2.870 ( 0.000 -5.076 -10.749) 11.887 2.870 ( 0.000 5.076 -10.749) 11.887 3.259 ( 0.000 -1.234 -9.760) 9.838 3.259 ( 0.000 1.234 -9.760) 9.838 3.455 ( 0.000 -2.484 -2.964) 3.868 3.455 ( 0.000 2.484 -2.964) 3.868 3.769 ( 0.000 -4.350 -4.334) 6.140 3.769 ( 0.000 4.350 -4.334) 6.140 4.576 ( 0.000 -8.976 9.832) 13.313 4.576 ( 0.000 8.976 9.832) 13.313 4.697 ( 0.000 -4.823 3.160) 5.766 4.697 ( 0.000 4.823 3.160) 5.766 4.940 ( 0.000 -17.836 30.533) 35.361 4.940 ( 0.000 17.836 30.533) 35.361 5.604 ( 0.000 -10.837 3.026) 11.252 5.604 ( 0.000 10.837 3.026) 11.252 5.710 ( 0.000 -12.232 4.043) 12.882 5.710 ( 0.000 12.232 4.043) 12.882 6.113 ( 0.000 -0.984 -6.582) 6.655 6.113 ( 0.000 0.984 -6.582) 6.655 6.430 ( 0.000 -15.747 -3.104) 16.050 6.430 ( 0.000 15.747 -3.104) 16.050 6.833 ( 0.000 -6.279 -23.413) 24.240 6.833 ( 0.000 6.279 -23.413) 24.240 7.314 ( 0.000 -6.343 2.685) 6.888 7.314 ( 0.000 6.343 2.685) 6.888 7.501 ( 0.000 -8.682 -5.504) 10.280 7.501 ( 0.000 8.682 -5.504) 10.280 8.286 ( 0.000 -8.154 19.270) 20.924 8.286 ( 0.000 8.154 19.270) 20.924 9.009 ( 0.000 -6.395 8.104) 10.323 9.009 ( 0.000 6.395 8.104) 10.323 9.243 ( 0.000 -1.348 -7.231) 7.356 9.243 ( 0.000 1.348 -7.231) 7.356 9.740 ( 0.000 -7.408 -12.238) 14.306 9.740 ( 0.000 7.408 -12.238) 14.306 10.293 ( 0.000 -2.255 8.473) 8.768 10.293 ( 0.000 2.255 8.473) 8.768 10.923 ( 0.000 -6.202 -10.555) 12.242 10.923 ( 0.000 6.202 -10.555) 12.242 12.492 ( 0.000 -9.547 9.485) 13.458 12.492 ( 0.000 9.547 9.485) 13.458 12.891 ( 0.000 -2.813 1.533) 3.203 12.891 ( 0.000 2.813 1.533) 3.203 15.589 ( 0.000 -1.790 32.324) 32.374 15.589 ( 0.000 1.790 32.324) 32.374 16.454 ( 0.000 -37.862 9.158) 38.953 16.454 ( 0.000 37.862 9.158) 38.953 17.276 ( 0.000 -16.185 -20.396) 26.038 17.276 ( 0.000 16.185 -20.396) 26.038 17.333 ( 0.000 -0.622 -21.347) 21.356 17.333 ( 0.000 0.622 -21.347) 21.356 20.961 ( 0.000 -2.446 5.483) 6.004 20.961 ( 0.000 2.446 5.483) 6.004 21.366 ( 0.000 -3.902 1.468) 4.169 21.366 ( 0.000 3.902 1.468) 4.169 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 3.571 -11.465 -2.100) 12.191 2.036 ( 3.571 11.465 -2.100) 12.191 2.578 ( 1.575 -11.965 6.857) 13.881 2.578 ( 1.575 11.965 6.857) 13.881 2.898 ( 2.096 -5.079 -9.281) 10.785 2.898 ( 2.096 5.079 -9.281) 10.785 3.237 ( -3.902 -2.333 -8.649) 9.771 3.237 ( -3.902 2.333 -8.649) 9.771 3.357 ( -7.172 -4.469 -2.857) 8.921 3.357 ( -7.172 4.469 -2.857) 8.921 3.765 ( -1.029 -5.475 -4.958) 7.457 3.765 ( -1.029 5.475 -4.958) 7.457 4.491 ( -9.652 -3.131 14.884) 18.014 4.491 ( -9.652 3.131 14.884) 18.014 4.746 ( 5.932 -4.660 2.899) 8.081 4.746 ( 5.932 4.660 2.899) 8.081 4.997 ( 7.595 -12.357 21.439) 25.885 4.997 ( 7.595 12.357 21.439) 25.885 5.619 ( -0.312 -3.225 -2.374) 4.017 5.619 ( -0.312 3.225 -2.374) 4.017 5.703 ( -0.011 -4.617 7.687) 8.967 5.703 ( -0.011 4.617 7.687) 8.967 6.210 ( 7.884 -0.344 -5.954) 9.885 6.210 ( 7.884 0.344 -5.954) 9.885 6.426 ( -0.928 -5.784 -5.523) 8.052 6.426 ( -0.928 5.784 -5.523) 8.052 6.764 ( -4.386 -10.861 -14.658) 18.763 6.764 ( -4.386 10.861 -14.658) 18.763 7.404 ( 8.159 -6.113 0.680) 10.217 7.404 ( 8.159 6.113 0.680) 10.217 7.578 ( 7.140 -8.201 -5.449) 12.163 7.578 ( 7.140 8.201 -5.449) 12.163 8.316 ( 3.172 -11.032 17.556) 20.976 8.316 ( 3.172 11.032 17.556) 20.976 9.021 ( 1.345 -6.595 7.374) 9.984 9.021 ( 1.345 6.595 7.374) 9.984 9.224 ( -1.871 -4.897 -5.070) 7.293 9.224 ( -1.871 4.897 -5.070) 7.293 9.745 ( 0.297 -7.362 -12.611) 14.605 9.745 ( 0.297 7.362 -12.611) 14.605 10.298 ( 0.583 -2.217 8.212) 8.526 10.298 ( 0.583 2.217 8.212) 8.526 10.903 ( -2.046 -6.212 -10.063) 12.001 10.903 ( -2.046 6.212 -10.063) 12.001 12.503 ( 1.153 -9.453 9.305) 13.314 12.503 ( 1.153 9.453 9.305) 13.314 12.860 ( -2.980 -2.931 2.179) 4.714 12.860 ( -2.980 2.931 2.179) 4.714 15.648 ( 5.466 -9.001 27.368) 29.324 15.648 ( 5.466 9.001 27.368) 29.324 16.542 ( 9.105 -31.518 12.166) 34.989 16.542 ( 9.105 31.518 12.166) 34.989 16.961 ( -16.106 -16.711 -18.934) 29.953 16.961 ( -16.106 16.711 -18.934) 29.953 17.672 ( 18.308 -3.506 -19.578) 27.033 17.672 ( 18.308 3.506 -19.578) 27.033 20.923 ( -3.629 -1.480 4.834) 6.223 20.923 ( -3.629 1.480 4.834) 6.223 21.328 ( -3.845 -3.910 0.517) 5.508 21.328 ( -3.845 3.910 0.517) 5.508 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 5.687 -7.932 -2.406) 10.053 2.127 ( 5.687 7.933 -2.406) 10.053 2.628 ( 3.527 -12.289 4.231) 13.467 2.628 ( 3.527 12.289 4.231) 13.467 2.904 ( -3.096 -5.457 -6.457) 9.003 2.904 ( -3.096 5.457 -6.457) 9.003 3.061 ( -9.967 -10.304 -3.606) 14.782 3.061 ( -9.967 10.304 -3.606) 14.782 3.294 ( -1.056 -2.934 -5.482) 6.307 3.294 ( -1.056 2.934 -5.482) 6.307 3.716 ( -4.437 -5.360 -5.400) 8.808 3.716 ( -4.437 5.360 -5.400) 8.808 4.260 ( -11.239 -1.473 13.664) 17.754 4.260 ( -11.239 1.473 13.664) 17.754 4.929 ( 12.361 -1.628 3.372) 12.916 4.929 ( 12.361 1.628 3.372) 12.916 5.230 ( 14.517 -10.415 11.262) 21.119 5.230 ( 14.517 10.415 11.262) 21.119 5.517 ( -10.581 -3.523 -7.904) 13.669 5.517 ( -10.581 3.523 -7.904) 13.669 5.732 ( 2.681 -6.079 5.839) 8.845 5.732 ( 2.681 6.079 5.839) 8.845 6.226 ( -7.822 -9.123 -15.773) 19.829 6.226 ( -7.822 9.123 -15.773) 19.829 6.485 ( 8.163 -5.196 4.019) 10.478 6.485 ( 8.163 5.196 4.019) 10.478 6.761 ( 4.228 -20.473 1.044) 20.931 6.761 ( 4.228 20.473 1.044) 20.931 7.577 ( 8.601 -6.457 -0.705) 10.778 7.577 ( 8.601 6.457 -0.705) 10.778 7.731 ( 7.479 -6.742 -3.111) 10.539 7.731 ( 7.479 6.742 -3.111) 10.539 8.416 ( 7.312 -14.662 11.432) 19.979 8.416 ( 7.312 14.662 11.432) 19.979 9.052 ( 0.954 -7.961 3.032) 8.572 9.052 ( 0.954 7.961 3.032) 8.572 9.188 ( -0.665 -6.061 1.786) 6.353 9.188 ( -0.665 6.061 1.786) 6.353 9.740 ( -1.134 -7.403 -12.498) 14.570 9.740 ( -1.134 7.403 -12.498) 14.570 10.320 ( 1.893 -2.177 7.121) 7.683 10.320 ( 1.893 2.177 7.121) 7.683 10.844 ( -4.120 -6.172 -8.628) 11.381 10.844 ( -4.120 6.172 -8.628) 11.381 12.535 ( 2.008 -9.158 8.828) 12.877 12.535 ( 2.008 9.158 8.828) 12.877 12.790 ( -3.937 -3.779 3.716) 6.603 12.790 ( -3.937 3.779 3.716) 6.603 15.773 ( 6.934 -23.918 15.768) 29.475 15.773 ( 6.934 23.918 15.768) 29.475 16.647 ( -11.134 -19.372 -12.597) 25.650 16.647 ( -11.134 19.372 -12.597) 25.650 16.843 ( 16.380 -12.603 15.358) 25.748 16.843 ( 16.380 12.603 15.358) 25.748 17.981 ( 12.639 -1.722 -13.375) 18.482 17.981 ( 12.639 1.722 -13.375) 18.482 20.840 ( -4.341 -0.933 2.341) 5.019 20.840 ( -4.341 0.933 2.341) 5.019 21.225 ( -6.519 -4.172 -1.951) 7.982 21.225 ( -6.519 4.172 -1.951) 7.982 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 6.587 -2.621 -0.452) 7.104 2.248 ( 6.587 2.621 -0.452) 7.104 2.661 ( -4.187 -12.584 1.046) 13.303 2.661 ( -4.187 12.584 1.046) 13.303 2.803 ( -0.378 -5.988 -0.955) 6.075 2.803 ( -0.378 5.988 -0.955) 6.075 2.960 ( -2.516 -10.636 -4.526) 11.829 2.960 ( -2.516 10.636 -4.526) 11.829 3.265 ( -2.116 -4.190 -2.275) 5.216 3.265 ( -2.116 4.190 -2.275) 5.216 3.571 ( -10.157 -4.220 -2.240) 11.224 3.571 ( -10.157 4.220 -2.240) 11.224 4.169 ( 3.242 -2.605 -0.607) 4.203 4.169 ( 3.242 2.605 -0.607) 4.203 5.131 ( -9.373 -10.533 -6.832) 15.667 5.131 ( -9.373 10.533 -6.832) 15.667 5.237 ( 3.551 -7.676 -5.468) 10.071 5.237 ( 3.551 7.676 -5.468) 10.071 5.541 ( 12.598 -12.467 8.246) 19.549 5.541 ( 12.598 12.467 8.246) 19.549 5.791 ( 2.823 -5.520 1.256) 6.326 5.791 ( 2.823 5.520 1.256) 6.326 6.038 ( -10.010 -5.611 -8.404) 14.224 6.038 ( -10.010 5.611 -8.404) 14.224 6.647 ( 8.148 -5.066 8.495) 12.815 6.647 ( 8.148 5.066 8.495) 12.815 6.864 ( 4.489 -17.988 5.070) 19.221 6.864 ( 4.489 17.988 5.070) 19.221 7.715 ( 5.727 -6.644 1.068) 8.836 7.715 ( 5.727 6.644 1.068) 8.836 7.836 ( 3.130 -3.248 2.193) 5.015 7.836 ( 3.130 3.248 2.193) 5.015 8.586 ( 9.536 -15.000 3.079) 18.039 8.586 ( 9.536 15.000 3.079) 18.039 9.013 ( -4.641 -10.923 -1.400) 11.950 9.013 ( -4.641 10.923 -1.400) 11.950 9.251 ( 6.785 -2.504 6.207) 9.530 9.251 ( 6.785 2.504 6.207) 9.530 9.691 ( -4.136 -7.202 -10.137) 13.105 9.691 ( -4.136 7.202 -10.137) 13.105 10.378 ( 4.191 -2.593 4.575) 6.724 10.378 ( 4.191 2.593 4.575) 6.724 10.745 ( -6.032 -5.913 -6.286) 10.529 10.745 ( -6.032 5.913 -6.286) 10.529 12.577 ( 2.279 -8.582 8.209) 12.092 12.577 ( 2.279 8.582 8.209) 12.092 12.719 ( -3.265 -5.104 5.365) 8.093 12.719 ( -3.265 5.104 5.365) 8.093 15.908 ( 7.083 -34.636 4.909) 35.692 15.908 ( 7.083 34.636 4.909) 35.692 16.418 ( -11.191 -30.992 -12.158) 35.122 16.418 ( -11.191 30.992 -12.158) 35.122 17.253 ( 23.490 -6.967 21.303) 32.467 17.253 ( 23.490 6.967 21.303) 32.467 18.124 ( 1.351 -1.316 -2.394) 3.048 18.124 ( 1.351 1.316 -2.394) 3.048 20.784 ( -0.851 -3.457 -2.193) 4.182 20.784 ( -0.851 3.457 -2.193) 4.182 21.085 ( -7.796 -4.719 -4.912) 10.353 21.085 ( -7.796 4.719 -4.912) 10.353 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 6.890 -2.721 1.804) 7.625 2.378 ( 6.890 2.721 1.804) 7.625 2.519 ( -7.792 -6.163 2.024) 10.139 2.519 ( -7.792 6.163 2.024) 10.139 2.869 ( 3.721 -6.420 -1.424) 7.556 2.869 ( 3.721 6.420 -1.424) 7.556 2.922 ( -1.888 -8.647 -1.386) 8.958 2.922 ( -1.888 8.647 -1.386) 8.958 3.252 ( 2.419 -3.906 -1.414) 4.807 3.252 ( 2.419 3.906 -1.414) 4.807 3.374 ( -9.211 -2.987 -1.834) 9.855 3.374 ( -9.211 2.987 -1.834) 9.855 4.364 ( 15.721 -3.253 -12.780) 20.520 4.364 ( 15.721 3.253 -12.780) 20.520 4.736 ( -21.729 -4.772 -17.346) 28.210 4.736 ( -21.729 4.772 -17.346) 28.210 5.479 ( 12.945 -2.154 2.819) 13.422 5.479 ( 12.945 2.154 2.819) 13.422 5.670 ( -3.423 -7.433 4.255) 9.223 5.670 ( -3.423 7.433 4.255) 9.223 5.827 ( 2.566 -5.273 -0.837) 5.924 5.827 ( 2.566 5.273 -0.837) 5.924 5.891 ( -4.014 -4.737 -0.683) 6.246 5.891 ( -4.014 4.737 -0.683) 6.246 6.795 ( 6.861 -8.170 8.598) 13.702 6.795 ( 6.861 8.170 8.598) 13.702 6.889 ( -2.159 -13.022 6.969) 14.927 6.889 ( -2.159 13.022 6.969) 14.927 7.806 ( 3.763 -3.862 3.860) 6.631 7.806 ( 3.763 3.862 3.860) 6.631 7.855 ( -1.008 -0.799 4.946) 5.110 7.855 ( -1.008 0.799 4.946) 5.110 8.759 ( 8.133 -13.744 -0.436) 15.976 8.759 ( 8.133 13.744 -0.436) 15.976 8.901 ( -6.603 -12.359 -0.886) 14.040 8.901 ( -6.603 12.359 -0.886) 14.040 9.413 ( 9.110 -2.799 1.156) 9.600 9.413 ( 9.110 2.799 1.156) 9.600 9.578 ( -7.477 -5.766 -5.204) 10.781 9.578 ( -7.477 5.766 -5.204) 10.781 10.482 ( 6.425 -3.918 0.799) 7.568 10.482 ( 6.425 3.918 0.799) 7.568 10.616 ( -7.083 -5.204 -3.067) 9.309 10.616 ( -7.083 5.204 -3.067) 9.309 12.620 ( 2.209 -7.656 7.519) 10.956 12.620 ( 2.209 7.656 7.519) 10.956 12.664 ( -2.441 -6.449 6.637) 9.571 12.664 ( -2.441 6.449 6.637) 9.571 16.052 ( 7.956 -37.997 -2.695) 38.914 16.052 ( 7.956 37.997 -2.695) 38.914 16.219 ( -9.415 -36.249 -8.079) 38.313 16.219 ( -9.415 36.249 -8.079) 38.313 17.695 ( 20.990 -2.905 18.157) 27.905 17.695 ( 20.990 2.905 18.157) 27.905 18.021 ( -11.731 -1.567 9.616) 15.250 18.021 ( -11.731 1.567 9.616) 15.250 20.818 ( 4.282 -4.895 -6.194) 8.982 20.818 ( 4.282 4.895 -6.194) 8.982 20.935 ( -7.342 -5.136 -6.918) 11.320 20.935 ( -7.342 5.136 -6.918) 11.320 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 0.000 15.191) 15.191 2.431 ( 0.000 0.000 -10.772) 10.772 2.432 ( 0.000 0.000 22.679) 22.679 2.759 ( 0.000 0.000 6.537) 6.537 2.797 ( 0.000 0.000 -14.798) 14.798 3.010 ( 0.000 0.000 -17.046) 17.046 3.301 ( 0.000 0.000 7.327) 7.327 3.303 ( 0.000 0.000 1.385) 1.385 3.332 ( 0.000 0.000 -1.126) 1.126 3.471 ( 0.000 0.000 -9.873) 9.873 3.918 ( 0.000 0.000 -1.968) 1.968 3.923 ( 0.000 0.000 -2.017) 2.017 4.083 ( 0.000 0.000 9.924) 9.924 4.185 ( 0.000 0.000 -2.774) 2.774 4.909 ( 0.000 0.000 12.388) 12.388 4.913 ( 0.000 0.000 13.549) 13.549 5.010 ( 0.000 0.000 0.570) 0.570 5.075 ( 0.000 0.000 -2.636) 2.636 5.198 ( 0.000 0.000 31.823) 31.823 5.312 ( 0.000 0.000 13.425) 13.425 5.585 ( 0.000 0.000 -14.445) 14.445 5.884 ( 0.000 0.000 -6.708) 6.708 5.989 ( 0.000 0.000 -32.972) 32.972 6.031 ( 0.000 0.000 21.928) 21.928 6.050 ( 0.000 0.000 -12.399) 12.399 6.428 ( 0.000 0.000 -18.419) 18.419 6.746 ( 0.000 0.000 2.182) 2.182 6.854 ( 0.000 0.000 -8.025) 8.025 7.420 ( 0.000 0.000 13.216) 13.216 7.453 ( 0.000 0.000 10.334) 10.334 7.597 ( 0.000 0.000 -4.433) 4.433 7.662 ( 0.000 0.000 -11.072) 11.072 8.340 ( 0.000 0.000 13.769) 13.769 8.650 ( 0.000 0.000 -17.251) 17.251 8.920 ( 0.000 0.000 13.721) 13.721 9.150 ( 0.000 0.000 -9.674) 9.674 9.287 ( 0.000 0.000 18.717) 18.717 9.291 ( 0.000 0.000 4.041) 4.041 9.375 ( 0.000 0.000 -4.575) 4.575 9.643 ( 0.000 0.000 -17.694) 17.694 10.399 ( 0.000 0.000 6.559) 6.559 10.458 ( 0.000 0.000 19.446) 19.446 10.555 ( 0.000 0.000 -9.369) 9.369 10.817 ( 0.000 0.000 -17.052) 17.052 12.479 ( 0.000 0.000 13.888) 13.888 12.720 ( 0.000 0.000 -10.672) 10.672 13.080 ( 0.000 0.000 6.594) 6.594 13.173 ( 0.000 0.000 -3.002) 3.002 15.466 ( 0.000 0.000 25.859) 25.859 16.009 ( 0.000 0.000 -24.510) 24.510 16.195 ( 0.000 0.000 26.908) 26.908 16.292 ( 0.000 0.000 31.502) 31.502 16.801 ( 0.000 0.000 -29.544) 29.544 16.870 ( 0.000 0.000 -27.502) 27.502 18.232 ( 0.000 0.000 1.283) 1.283 18.256 ( 0.000 0.000 -1.193) 1.193 20.805 ( 0.000 0.000 0.157) 0.157 20.810 ( 0.000 0.000 -0.306) 0.306 21.086 ( 0.000 0.000 9.311) 9.311 21.226 ( 0.000 0.000 -5.235) 5.235 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 3.002 0.000 15.065) 15.361 2.466 ( 2.575 0.000 -10.641) 10.948 2.482 ( 4.988 0.000 21.561) 22.130 2.788 ( 3.089 0.000 5.614) 6.408 2.835 ( 3.618 0.000 -14.631) 15.072 3.023 ( 1.421 0.000 -16.581) 16.642 3.242 ( -5.571 0.000 1.221) 5.704 3.270 ( -5.575 0.000 -1.309) 5.727 3.302 ( -0.015 0.000 6.132) 6.132 3.449 ( -2.260 0.000 -8.809) 9.095 3.924 ( 0.675 0.000 -0.302) 0.740 3.960 ( 2.470 0.000 -3.565) 4.337 3.992 ( -7.355 0.000 8.410) 11.172 4.107 ( -7.400 0.000 -4.154) 8.486 4.793 ( -8.932 0.000 18.710) 20.733 4.862 ( -5.707 0.000 18.447) 19.309 4.962 ( -1.820 0.000 0.202) 1.831 5.116 ( 3.729 0.000 -6.239) 7.268 5.188 ( 0.946 0.000 17.900) 17.925 5.568 ( 19.850 0.000 16.247) 25.651 5.691 ( -5.083 0.000 -20.790) 21.403 5.817 ( 4.504 0.000 -7.559) 8.799 5.954 ( -5.143 0.000 13.543) 14.487 6.063 ( 15.143 0.000 -8.558) 17.394 6.210 ( -18.181 0.000 -14.262) 23.107 6.241 ( 11.117 0.000 -21.459) 24.168 6.713 ( -2.268 0.000 5.452) 5.905 6.863 ( 0.008 0.000 -9.076) 9.076 7.496 ( 4.117 0.000 10.179) 10.980 7.597 ( 15.232 0.000 12.450) 19.673 7.638 ( 3.990 0.000 -4.331) 5.889 7.820 ( 13.474 0.000 -10.027) 16.796 8.205 ( -10.889 0.000 13.241) 17.143 8.503 ( -12.739 0.000 -16.920) 21.179 9.020 ( 7.749 0.000 11.822) 14.135 9.172 ( 1.133 0.000 0.824) 1.401 9.332 ( 4.114 0.000 4.466) 6.072 9.355 ( 5.682 0.000 8.767) 10.447 9.420 ( 4.437 0.000 -4.507) 6.325 9.656 ( 1.186 0.000 -17.258) 17.299 10.403 ( 0.471 0.000 6.311) 6.329 10.462 ( 0.447 0.000 18.872) 18.877 10.553 ( -0.171 0.000 -8.955) 8.956 10.810 ( -0.778 0.000 -16.447) 16.465 12.470 ( -0.807 0.000 13.414) 13.438 12.699 ( -2.065 0.000 -9.867) 10.080 13.069 ( -0.972 0.000 5.542) 5.626 13.136 ( -3.274 0.000 -1.447) 3.579 15.208 ( -19.389 0.000 24.281) 31.073 15.734 ( -22.606 0.000 -29.468) 37.140 16.470 ( 17.671 0.000 31.498) 36.117 16.500 ( 25.474 0.000 32.264) 41.108 17.052 ( 17.644 0.000 -27.870) 32.985 17.096 ( 23.130 0.000 -28.382) 36.614 18.233 ( 0.125 0.000 1.257) 1.264 18.257 ( 0.073 0.000 -1.160) 1.162 20.704 ( -10.503 0.000 1.397) 10.595 20.731 ( -7.496 0.000 -1.421) 7.630 21.055 ( -3.107 0.000 9.057) 9.575 21.195 ( -3.082 0.000 -5.495) 6.300 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.214 0.000 13.290) 13.345 2.478 ( -2.368 0.000 -10.875) 11.129 2.612 ( 8.018 0.000 18.063) 19.762 2.862 ( 2.991 0.000 6.244) 6.924 2.917 ( 4.094 0.000 -13.153) 13.776 3.058 ( -0.108 0.000 -10.344) 10.345 3.122 ( -3.676 0.000 1.812) 4.099 3.211 ( 2.588 0.000 -8.975) 9.341 3.298 ( -0.317 0.000 3.468) 3.482 3.391 ( -3.316 0.000 -6.250) 7.075 3.866 ( -4.678 0.000 4.516) 6.502 3.917 ( -1.901 0.000 1.265) 2.283 3.943 ( -8.504 0.000 -3.796) 9.313 3.981 ( -0.914 0.000 -4.717) 4.805 4.596 ( -11.842 0.000 25.286) 27.922 4.690 ( -10.990 0.000 23.536) 25.975 4.960 ( -0.225 0.000 -7.777) 7.780 5.142 ( -4.729 0.000 -20.641) 21.176 5.253 ( 5.283 0.000 4.213) 6.757 5.487 ( -8.342 0.000 -17.787) 19.646 5.890 ( -4.802 0.000 5.091) 6.998 5.924 ( 10.551 0.000 14.193) 17.685 5.966 ( 2.197 0.000 -1.182) 2.495 5.986 ( 12.247 0.000 9.390) 15.432 6.438 ( 18.064 0.000 -11.467) 21.396 6.460 ( 13.753 0.000 -16.035) 21.125 6.671 ( -2.269 0.000 7.421) 7.760 6.843 ( -2.082 0.000 -9.339) 9.569 7.592 ( 5.153 0.000 9.808) 11.079 7.734 ( 5.375 0.000 -4.276) 6.868 7.907 ( 15.321 0.000 10.606) 18.634 8.009 ( -7.946 0.000 9.240) 12.186 8.083 ( 12.275 0.000 -7.207) 14.235 8.241 ( -13.115 0.000 -14.360) 19.447 9.132 ( 2.760 0.000 10.498) 10.855 9.217 ( 4.651 0.000 2.639) 5.348 9.441 ( 2.289 0.000 5.362) 5.831 9.443 ( 7.077 0.000 5.354) 8.874 9.535 ( 6.982 0.000 -3.911) 8.003 9.676 ( 0.355 0.000 -15.849) 15.853 10.420 ( 1.339 0.000 5.311) 5.477 10.479 ( 1.451 0.000 16.810) 16.873 10.551 ( -0.053 0.000 -7.946) 7.946 10.787 ( -1.558 0.000 -14.418) 14.502 12.454 ( -0.689 0.000 11.891) 11.911 12.645 ( -3.381 0.000 -7.327) 8.069 13.051 ( -0.647 0.000 3.448) 3.508 13.072 ( -2.785 0.000 1.137) 3.008 14.851 ( -16.299 0.000 18.539) 24.685 15.283 ( -22.653 0.000 -25.478) 34.092 16.927 ( 28.068 0.000 30.449) 41.412 17.030 ( 27.777 0.000 29.182) 40.288 17.485 ( 25.170 0.000 -26.378) 36.459 17.546 ( 21.769 0.000 -23.368) 31.937 18.238 ( 0.363 0.000 1.183) 1.237 18.260 ( 0.289 0.000 -1.092) 1.129 20.433 ( -16.492 0.000 4.518) 17.100 20.530 ( -12.831 0.000 -5.215) 13.850 20.974 ( -4.976 0.000 7.971) 9.396 21.110 ( -5.521 0.000 -6.019) 8.167 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -3.085 0.000 8.028) 8.600 2.375 ( -7.357 0.000 -10.350) 12.698 2.765 ( 6.839 0.000 11.392) 13.287 2.868 ( -1.115 0.000 7.167) 7.254 2.955 ( -0.766 0.000 -8.427) 8.462 2.962 ( -5.392 0.000 -0.308) 5.400 3.221 ( 9.404 0.000 -0.244) 9.407 3.297 ( 0.318 0.000 2.465) 2.485 3.347 ( 8.012 0.000 -13.370) 15.587 3.358 ( 1.052 0.000 -3.385) 3.544 3.805 ( -4.470 0.000 0.655) 4.517 3.849 ( -4.680 0.000 1.674) 4.971 3.851 ( 4.019 0.000 -3.799) 5.530 3.926 ( -4.252 0.000 -5.555) 6.995 4.331 ( -15.209 0.000 23.961) 28.381 4.502 ( -6.957 0.000 16.304) 17.726 4.816 ( -15.496 0.000 -24.270) 28.795 4.900 ( -16.836 0.000 -24.039) 29.349 5.365 ( 7.883 0.000 6.610) 10.288 5.511 ( 7.948 0.000 -7.766) 11.112 5.957 ( 9.780 0.000 12.587) 15.940 6.014 ( 2.119 0.000 14.352) 14.508 6.113 ( 9.500 0.000 -2.219) 9.755 6.174 ( 4.034 0.000 1.132) 4.190 6.621 ( -2.654 0.000 6.351) 6.883 6.690 ( 12.323 0.000 -1.719) 12.442 6.771 ( 12.349 0.000 -6.706) 14.053 6.781 ( -4.255 0.000 -8.770) 9.748 7.675 ( 3.405 0.000 7.893) 8.597 7.821 ( 2.778 0.000 -5.217) 5.910 7.924 ( -1.009 0.000 2.827) 3.002 8.028 ( -8.070 0.000 -8.635) 11.819 8.159 ( 10.444 0.000 7.631) 12.935 8.270 ( 6.801 0.000 -3.595) 7.693 9.173 ( 2.607 0.000 11.498) 11.790 9.323 ( 5.647 0.000 -3.929) 6.879 9.436 ( -2.526 0.000 7.966) 8.357 9.587 ( 7.139 0.000 5.756) 9.170 9.654 ( -2.843 0.000 -13.810) 14.100 9.664 ( 5.626 0.000 -1.905) 5.940 10.455 ( 2.168 0.000 3.046) 3.739 10.523 ( 3.220 0.000 12.192) 12.610 10.548 ( -0.351 0.000 -6.400) 6.410 10.748 ( -2.582 0.000 -10.369) 10.686 12.449 ( 0.306 0.000 9.233) 9.238 12.576 ( -3.604 0.000 -3.318) 4.899 13.038 ( -0.771 0.000 2.346) 2.470 13.044 ( -0.159 0.000 1.995) 2.001 14.603 ( -8.903 0.000 10.005) 13.392 14.888 ( -17.623 0.000 -18.957) 25.883 17.496 ( 29.159 0.000 26.471) 39.382 17.532 ( 23.102 0.000 22.483) 32.236 17.889 ( 12.533 0.000 -13.677) 18.550 17.946 ( 20.345 0.000 -18.730) 27.654 18.249 ( 0.904 0.000 1.074) 1.404 18.271 ( 0.954 0.000 -1.117) 1.469 20.111 ( -15.384 0.000 4.887) 16.141 20.256 ( -14.791 0.000 -9.187) 17.412 20.880 ( -4.157 0.000 5.204) 6.660 20.992 ( -6.407 0.000 -5.968) 8.756 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.775 0.000 0.539) 0.944 2.236 ( -5.953 0.000 -6.378) 8.725 2.855 ( 2.861 0.000 2.478) 3.784 2.858 ( 0.361 0.000 5.613) 5.624 2.885 ( -2.545 0.000 3.177) 4.070 2.908 ( -3.026 0.000 -3.161) 4.376 3.337 ( 3.827 0.000 5.491) 6.693 3.388 ( 6.001 0.000 -3.072) 6.742 3.390 ( -0.034 0.000 1.581) 1.582 3.434 ( 0.838 0.000 -8.106) 8.149 3.782 ( -0.692 0.000 -2.096) 2.207 3.806 ( 6.053 0.000 10.126) 11.797 3.834 ( -4.816 0.000 -6.226) 7.872 4.017 ( -8.943 0.000 13.243) 15.979 4.079 ( 11.007 0.000 -10.383) 15.132 4.448 ( -20.705 0.000 -23.342) 31.202 4.457 ( 2.620 0.000 2.161) 3.397 4.604 ( -12.267 0.000 -12.737) 17.683 5.540 ( 8.410 0.000 6.080) 10.378 5.624 ( 1.106 0.000 -2.136) 2.405 6.061 ( 4.015 0.000 7.317) 8.346 6.156 ( 8.958 0.000 10.963) 14.158 6.159 ( -4.412 0.000 -1.596) 4.692 6.242 ( 1.552 0.000 4.266) 4.539 6.597 ( 1.527 0.000 -0.680) 1.671 6.682 ( -5.717 0.000 -7.198) 9.192 6.878 ( 6.164 0.000 3.172) 6.932 6.913 ( 2.572 0.000 0.361) 2.597 7.738 ( 3.413 0.000 2.334) 4.135 7.808 ( -3.433 0.000 -4.299) 5.501 7.936 ( 1.143 0.000 -1.079) 1.572 7.951 ( -0.873 0.000 -2.296) 2.457 8.307 ( 4.805 0.000 4.081) 6.304 8.344 ( 0.941 0.000 0.261) 0.977 9.246 ( 4.823 0.000 10.641) 11.683 9.346 ( -4.937 0.000 7.400) 8.895 9.449 ( 6.070 0.000 -5.876) 8.448 9.568 ( -5.723 0.000 -11.012) 12.411 9.699 ( 4.026 0.000 4.631) 6.136 9.730 ( 0.934 0.000 1.601) 1.854 10.498 ( 2.162 0.000 -0.385) 2.196 10.533 ( -1.313 0.000 -3.859) 4.076 10.601 ( 4.515 0.000 4.561) 6.418 10.685 ( -3.939 0.000 -3.805) 5.476 12.468 ( 1.646 0.000 5.577) 5.815 12.512 ( -2.883 0.000 1.238) 3.137 13.035 ( 0.272 0.000 2.213) 2.230 13.041 ( -0.240 0.000 1.761) 1.777 14.519 ( 0.389 0.000 -0.120) 0.408 14.619 ( -9.832 0.000 -10.265) 14.214 17.885 ( 12.627 0.000 11.473) 17.061 17.989 ( 19.892 0.000 16.949) 26.134 18.007 ( -0.150 0.000 -1.161) 1.171 18.181 ( 1.663 0.000 -1.503) 2.241 18.273 ( 1.414 0.000 1.239) 1.880 18.289 ( 0.241 0.000 -0.041) 0.244 19.910 ( -3.446 0.000 -2.145) 4.059 19.995 ( -10.791 0.000 -9.739) 14.536 20.835 ( -0.091 0.000 0.491) 0.499 20.881 ( -4.523 0.000 -3.977) 6.022 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 -12.995 12.091) 17.750 2.239 ( 0.000 2.541 7.781) 8.185 2.518 ( 0.000 -10.199 -0.448) 10.209 2.618 ( 0.000 8.098 -6.731) 10.530 2.913 ( 0.000 -3.123 0.663) 3.193 3.031 ( 0.000 -3.031 -11.922) 12.301 3.136 ( 0.000 -3.114 -2.878) 4.240 3.141 ( 0.000 -9.550 -3.305) 10.106 3.355 ( 0.000 0.835 6.795) 6.846 3.488 ( 0.000 -0.154 -5.733) 5.736 3.866 ( 0.000 -4.821 2.327) 5.353 3.947 ( 0.000 -2.765 -5.844) 6.464 4.258 ( 0.000 12.827 5.386) 13.912 4.288 ( 0.000 10.661 0.251) 10.664 4.899 ( 0.000 -0.161 8.973) 8.974 4.978 ( 0.000 -1.778 1.989) 2.668 5.024 ( 0.000 9.478 20.151) 22.269 5.215 ( 0.000 10.931 -3.010) 11.338 5.263 ( 0.000 6.518 28.587) 29.321 5.378 ( 0.000 7.345 11.607) 13.736 5.621 ( 0.000 3.888 -13.382) 13.935 5.862 ( 0.000 -1.689 -0.435) 1.744 5.991 ( 0.000 -3.230 9.449) 9.986 5.998 ( 0.000 -4.300 -11.138) 11.939 6.013 ( 0.000 1.959 -25.879) 25.953 6.412 ( 0.000 -2.317 -20.711) 20.840 6.858 ( 0.000 10.067 2.038) 10.271 6.925 ( 0.000 4.438 -2.395) 5.043 7.147 ( 0.000 -14.237 7.101) 15.910 7.336 ( 0.000 -17.533 -9.203) 19.802 7.589 ( 0.000 2.285 9.195) 9.475 7.725 ( 0.000 -1.125 -5.343) 5.460 8.363 ( 0.000 3.303 16.700) 17.023 8.717 ( 0.000 5.835 -18.930) 19.809 8.883 ( 0.000 -2.453 15.090) 15.288 9.125 ( 0.000 -1.539 -9.734) 9.855 9.241 ( 0.000 -3.359 14.834) 15.210 9.296 ( 0.000 -0.939 3.259) 3.392 9.429 ( 0.000 3.178 -1.604) 3.560 9.634 ( 0.000 -0.900 -16.680) 16.704 10.403 ( 0.000 0.662 6.614) 6.647 10.478 ( 0.000 1.540 18.139) 18.204 10.561 ( 0.000 0.998 -9.141) 9.195 10.819 ( 0.000 -0.083 -16.179) 16.179 12.493 ( 0.000 1.444 13.025) 13.105 12.718 ( 0.000 -0.244 -9.865) 9.868 13.026 ( 0.000 -4.798 6.580) 8.143 13.115 ( 0.000 -5.122 -2.582) 5.736 15.618 ( 0.000 14.451 23.961) 27.982 16.107 ( 0.000 8.133 -9.541) 12.537 16.218 ( 0.000 3.383 13.806) 14.214 16.285 ( 0.000 -0.611 31.616) 31.622 16.806 ( 0.000 0.421 -29.407) 29.410 16.866 ( 0.000 -0.403 -27.619) 27.621 17.966 ( 0.000 -23.793 2.503) 23.925 18.016 ( 0.000 -21.104 -2.703) 21.276 20.880 ( 0.000 5.595 1.029) 5.689 20.891 ( 0.000 6.151 -0.282) 6.157 21.151 ( 0.000 6.093 7.640) 9.772 21.269 ( 0.000 3.994 -4.524) 6.035 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 5.093 -13.231 10.771) 17.805 2.276 ( 2.991 2.541 8.250) 9.136 2.515 ( -0.216 -10.432 -0.543) 10.448 2.629 ( 0.634 5.100 -7.471) 9.068 2.933 ( 1.353 -7.410 0.233) 7.536 3.042 ( 1.391 -4.894 -11.267) 12.363 3.099 ( -2.462 -3.654 0.045) 4.406 3.154 ( -0.076 -0.119 -5.765) 5.767 3.341 ( -1.074 1.265 5.315) 5.568 3.442 ( -4.214 -1.265 -4.179) 6.068 3.830 ( -3.852 -5.744 2.432) 7.331 3.910 ( -4.575 -5.296 -5.495) 8.897 4.244 ( 0.516 15.669 3.905) 16.157 4.298 ( 0.506 15.208 -1.726) 15.314 4.814 ( -6.888 1.930 17.096) 18.532 4.927 ( -8.287 5.431 19.459) 21.836 4.967 ( -1.248 1.525 1.776) 2.652 5.187 ( -0.302 6.014 -2.789) 6.637 5.246 ( -0.640 6.070 13.066) 14.421 5.591 ( 16.056 2.142 14.902) 22.010 5.719 ( -3.550 2.936 -17.108) 17.717 5.820 ( -0.898 0.706 -5.128) 5.254 5.961 ( 2.731 0.754 7.251) 7.785 6.014 ( 12.520 -3.457 -5.049) 13.936 6.189 ( 4.181 -3.629 -21.734) 22.428 6.240 ( -9.473 1.249 -13.771) 16.761 6.791 ( -3.113 5.225 5.774) 8.386 6.937 ( 0.243 6.443 -8.956) 11.036 7.277 ( 10.566 -12.977 9.237) 19.115 7.455 ( 9.015 -13.295 -7.749) 17.834 7.694 ( 9.765 1.245 8.448) 12.972 7.823 ( 8.844 -2.812 -5.313) 10.693 8.253 ( -8.728 5.609 16.158) 19.202 8.590 ( -10.323 7.961 -17.700) 21.982 8.976 ( 7.159 -3.560 13.299) 15.517 9.152 ( 1.534 -1.513 -0.077) 2.156 9.294 ( 4.862 -2.923 5.891) 8.178 9.332 ( 3.471 -2.236 2.656) 4.909 9.463 ( 3.303 2.127 -1.426) 4.180 9.648 ( 1.268 -0.970 -16.124) 16.203 10.403 ( 0.111 0.476 6.625) 6.643 10.482 ( 0.371 1.354 16.992) 17.050 10.556 ( -0.421 0.880 -8.440) 8.496 10.811 ( -0.883 -0.203 -15.566) 15.592 12.487 ( -0.476 1.760 12.520) 12.652 12.700 ( -1.779 0.051 -9.036) 9.210 13.016 ( -0.846 -4.701 5.607) 7.366 13.083 ( -2.897 -4.739 -1.270) 5.698 15.353 ( -18.893 13.674 22.919) 32.699 15.848 ( -21.893 10.800 -27.653) 36.887 16.446 ( 16.552 -2.223 31.366) 35.535 16.524 ( 25.341 2.281 31.541) 40.525 17.023 ( 15.405 -2.945 -27.395) 31.567 17.110 ( 23.183 1.304 -27.990) 36.367 17.969 ( 0.308 -23.423 2.469) 23.555 18.019 ( 0.340 -20.439 -2.754) 20.626 20.803 ( -8.751 7.648 1.097) 11.674 20.820 ( -6.109 6.737 -0.509) 9.109 21.112 ( -3.916 5.366 7.585) 10.083 21.233 ( -3.660 3.409 -4.841) 6.960 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -0.408 3.156 9.175) 9.711 2.362 ( 6.699 -10.496 5.427) 13.582 2.525 ( 1.577 -9.414 -0.487) 9.557 2.631 ( 0.367 -4.441 -7.267) 8.525 2.943 ( -0.431 -11.370 2.207) 11.590 3.028 ( -2.497 -8.838 -2.423) 9.499 3.091 ( -0.122 4.866 -3.341) 5.904 3.152 ( 1.106 1.665 -9.677) 9.881 3.329 ( -0.344 1.407 1.674) 2.214 3.363 ( -2.501 -2.691 -2.161) 4.262 3.731 ( -5.713 -6.832 0.853) 8.947 3.781 ( -7.760 -6.499 -4.213) 10.964 4.248 ( -2.430 15.956 2.613) 16.351 4.302 ( -0.473 21.277 -2.938) 21.485 4.678 ( -10.266 8.737 23.707) 27.272 4.691 ( -9.878 0.374 23.085) 25.112 4.991 ( 1.169 3.145 -5.377) 6.338 5.139 ( -6.504 -0.371 -20.390) 21.405 5.304 ( 5.426 4.674 2.138) 7.474 5.486 ( -10.128 -0.462 -15.888) 18.847 5.805 ( 1.530 -3.551 10.661) 11.340 5.942 ( 11.171 -0.735 6.389) 12.890 6.007 ( 0.302 5.683 2.072) 6.057 6.136 ( 10.039 9.332 4.817) 14.528 6.306 ( 12.633 -9.609 -9.237) 18.365 6.369 ( 7.548 -5.119 -12.282) 15.298 6.776 ( 2.153 6.365 6.376) 9.263 6.951 ( 1.541 7.879 -10.944) 13.573 7.480 ( 9.790 -8.238 8.442) 15.329 7.629 ( 8.723 -8.398 -5.970) 13.500 7.881 ( 6.143 -3.548 5.832) 9.183 7.986 ( 5.726 -6.189 -4.928) 9.767 8.128 ( -1.216 10.216 13.986) 17.362 8.410 ( -6.358 12.380 -14.437) 20.053 9.085 ( 3.402 -4.470 11.564) 12.856 9.200 ( 4.168 -1.328 1.908) 4.772 9.391 ( 3.225 -3.503 3.192) 5.733 9.408 ( 5.083 -3.627 3.575) 7.195 9.545 ( 4.871 -0.294 -1.810) 5.205 9.672 ( 0.817 -1.018 -14.406) 14.465 10.413 ( 1.028 0.027 5.549) 5.643 10.492 ( 0.683 0.515 13.572) 13.599 10.547 ( -0.450 0.494 -5.864) 5.902 10.785 ( -1.792 -0.558 -13.634) 13.763 12.479 ( -0.234 2.498 10.995) 11.278 12.654 ( -2.856 0.858 -6.513) 7.164 13.001 ( -0.578 -4.583 3.642) 5.882 13.026 ( -2.545 -4.180 0.972) 4.990 15.016 ( -15.061 15.580 17.423) 27.805 15.420 ( -21.172 13.023 -23.787) 34.405 16.866 ( 25.372 -6.396 29.081) 39.119 17.048 ( 27.259 1.514 28.396) 39.391 17.392 ( 20.602 -10.211 -23.611) 32.958 17.560 ( 21.915 1.092 -23.084) 31.849 17.980 ( 1.023 -21.834 2.470) 21.998 18.036 ( 1.656 -17.129 -3.325) 17.527 20.577 ( -13.730 11.255 3.554) 18.106 20.655 ( -10.600 9.734 -4.193) 14.990 21.012 ( -5.968 3.625 7.054) 9.926 21.136 ( -6.116 2.271 -5.579) 8.584 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -2.426 5.795 5.851) 8.585 2.385 ( -4.314 0.030 -6.545) 7.839 2.618 ( 7.220 -10.597 5.632) 14.005 2.675 ( 3.408 -13.605 -0.600) 14.038 2.921 ( -1.071 -4.858 5.271) 7.248 3.011 ( -0.101 -0.875 -3.153) 3.274 3.080 ( 1.416 -4.717 -0.470) 4.947 3.163 ( 0.149 -7.168 -7.456) 10.344 3.325 ( -0.235 -3.361 -0.827) 3.469 3.373 ( 2.669 -1.343 -3.910) 4.921 3.609 ( -7.420 -7.211 0.019) 10.347 3.653 ( -4.706 -6.834 -4.270) 9.332 4.144 ( -6.108 7.439 6.284) 11.495 4.259 ( -4.216 19.980 -5.196) 21.071 4.413 ( -11.446 2.275 18.091) 21.528 4.627 ( -1.709 16.924 12.012) 20.824 4.838 ( -16.247 1.422 -21.874) 27.285 4.963 ( -9.934 7.089 -20.123) 23.535 5.397 ( 7.268 2.798 4.596) 9.043 5.504 ( 7.867 -0.073 -5.804) 9.776 5.908 ( 7.683 -3.777 11.264) 14.149 6.022 ( 4.980 -0.174 1.861) 5.320 6.174 ( 6.570 2.908 11.014) 13.151 6.313 ( 7.442 11.890 1.944) 14.161 6.425 ( 0.930 -11.040 -1.309) 11.156 6.486 ( 3.880 -9.479 -6.679) 12.228 6.875 ( 6.703 6.155 4.150) 10.002 6.998 ( 2.771 9.309 -7.768) 12.437 7.641 ( 6.710 -2.763 6.856) 9.984 7.777 ( 5.840 -3.497 -5.714) 8.887 7.911 ( 0.351 -1.001 2.761) 2.958 7.988 ( -3.443 -3.322 -5.186) 7.056 8.229 ( 7.711 6.588 8.488) 13.225 8.377 ( 1.384 9.303 -6.715) 11.556 9.136 ( 2.819 -3.793 11.207) 12.163 9.294 ( 4.631 -2.903 -4.840) 7.301 9.399 ( -1.242 -3.004 7.804) 8.454 9.517 ( 4.587 -4.622 1.357) 6.652 9.634 ( 3.484 -2.986 -1.570) 4.850 9.674 ( 0.005 -0.603 -9.287) 9.307 10.444 ( 1.993 -0.479 2.737) 3.419 10.513 ( 1.459 -1.101 4.264) 4.639 10.540 ( -0.016 -0.000 1.712) 1.712 10.740 ( -2.904 -1.068 -10.075) 10.540 12.482 ( 0.579 3.159 8.529) 9.114 12.595 ( -3.015 1.907 -2.683) 4.464 12.992 ( -0.617 -4.243 2.266) 4.850 12.996 ( -0.287 -4.299 2.036) 4.765 14.790 ( -7.965 17.698 9.365) 21.549 15.055 ( -16.164 15.811 -17.530) 28.610 17.359 ( 23.630 -14.807 22.208) 35.648 17.536 ( 21.992 -2.445 19.927) 29.778 17.724 ( 11.961 -20.588 -9.610) 25.677 17.921 ( 14.539 -0.729 -13.615) 19.932 18.018 ( 3.324 -16.284 2.558) 16.815 18.101 ( 5.088 -7.494 -5.302) 10.496 20.314 ( -12.117 15.723 3.505) 20.158 20.431 ( -11.982 13.718 -7.716) 19.781 20.901 ( -4.900 1.833 4.838) 7.126 21.007 ( -6.832 1.277 -5.800) 9.052 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.498 6.213 0.136) 6.234 2.287 ( -4.471 4.539 -4.932) 8.057 2.710 ( 2.241 -9.075 3.823) 10.099 2.725 ( 0.883 -11.101 2.054) 11.324 2.929 ( 1.557 0.745 5.527) 5.790 2.970 ( -2.786 2.763 1.103) 4.076 3.193 ( 7.179 -12.408 -2.809) 14.607 3.206 ( 4.098 -8.823 -3.966) 10.506 3.309 ( -0.255 -8.620 3.688) 9.379 3.408 ( -3.663 -15.497 -2.533) 16.125 3.479 ( -1.409 -0.477 0.622) 1.613 3.560 ( -5.681 -5.777 -4.443) 9.241 4.091 ( 1.183 2.164 0.486) 2.514 4.157 ( -4.987 10.224 -4.980) 12.418 4.308 ( 1.403 3.506 0.399) 3.797 4.468 ( -13.602 2.363 -13.535) 19.334 4.681 ( 1.606 22.215 -0.494) 22.279 4.777 ( -7.972 19.006 -10.046) 22.928 5.562 ( 7.561 2.235 4.412) 9.035 5.622 ( 2.238 0.406 -1.581) 2.770 6.029 ( 4.523 -3.460 6.148) 8.381 6.086 ( -0.246 -4.923 1.255) 5.086 6.274 ( 5.469 4.028 11.221) 13.117 6.370 ( -3.132 1.931 8.797) 9.536 6.452 ( 4.070 -1.034 -6.502) 7.740 6.510 ( -1.222 -5.638 -5.448) 7.934 6.985 ( 4.101 4.739 3.238) 7.054 7.027 ( -0.221 6.329 -0.945) 6.403 7.747 ( 4.507 1.044 2.197) 5.122 7.816 ( -1.986 0.787 -4.122) 4.642 7.934 ( 1.368 -0.173 -0.587) 1.498 7.946 ( -0.344 -0.556 -1.631) 1.757 8.350 ( 4.377 4.366 3.949) 7.336 8.395 ( -0.342 5.120 -0.703) 5.180 9.209 ( 4.596 -3.847 9.358) 11.113 9.300 ( -4.083 -4.733 4.279) 7.575 9.434 ( 5.142 -1.124 -3.282) 6.203 9.528 ( -3.468 -3.077 -7.640) 8.936 9.676 ( 2.097 -3.232 1.946) 4.316 9.695 ( 0.537 -3.452 0.608) 3.546 10.481 ( 1.762 -1.124 0.560) 2.163 10.511 ( -1.235 -1.301 -2.541) 3.110 10.587 ( 4.192 -1.266 3.656) 5.704 10.671 ( -4.143 -1.440 -4.435) 6.238 12.503 ( 1.552 3.310 5.302) 6.441 12.542 ( -2.451 2.834 1.480) 4.028 12.989 ( 0.178 -4.216 2.116) 4.721 12.993 ( -0.179 -4.365 1.817) 4.732 14.717 ( 0.477 18.692 -0.014) 18.698 14.809 ( -8.961 17.982 -9.381) 22.173 17.695 ( 9.870 -27.297 8.114) 30.140 17.770 ( 1.464 -29.250 0.192) 29.288 17.959 ( 13.575 -2.289 11.759) 18.105 18.087 ( 3.454 -4.384 2.468) 6.103 18.110 ( 3.516 -5.574 2.164) 6.937 18.171 ( 0.171 -1.095 -0.340) 1.159 20.162 ( -2.524 18.948 -1.887) 19.208 20.225 ( -8.179 17.675 -7.685) 20.937 20.846 ( -0.369 0.764 0.359) 0.921 20.890 ( -4.679 0.675 -4.012) 6.201 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 -6.594 6.067) 8.960 2.106 ( 0.000 -11.333 -9.383) 14.713 2.554 ( 0.000 9.088 12.913) 15.790 2.725 ( 0.000 -8.378 -1.949) 8.602 2.748 ( 0.000 -2.560 -4.537) 5.209 2.794 ( 0.000 -4.976 -9.850) 11.035 3.149 ( 0.000 3.048 -0.589) 3.104 3.192 ( 0.000 3.010 -2.525) 3.929 3.372 ( 0.000 1.668 4.245) 4.561 3.453 ( 0.000 -2.561 -1.916) 3.198 3.743 ( 0.000 -6.221 -0.614) 6.251 3.807 ( 0.000 -8.817 -6.267) 10.817 4.498 ( 0.000 8.998 2.078) 9.234 4.506 ( 0.000 8.366 -0.286) 8.371 4.892 ( 0.000 -0.518 8.246) 8.262 4.935 ( 0.000 -2.414 5.280) 5.805 5.263 ( 0.000 11.840 26.248) 28.794 5.400 ( 0.000 6.001 1.041) 6.090 5.460 ( 0.000 11.338 16.721) 20.203 5.642 ( 0.000 12.462 5.893) 13.785 5.775 ( 0.000 12.244 -6.520) 13.871 5.869 ( 0.000 -4.454 21.401) 21.860 5.887 ( 0.000 4.761 -3.262) 5.771 5.894 ( 0.000 -5.554 -6.195) 8.320 6.105 ( 0.000 6.880 -34.861) 35.534 6.328 ( 0.000 -5.478 -22.610) 23.264 6.689 ( 0.000 -20.911 12.183) 24.201 6.918 ( 0.000 -22.536 -9.998) 24.654 7.104 ( 0.000 12.419 0.089) 12.419 7.171 ( 0.000 10.052 -6.457) 11.947 7.535 ( 0.000 -6.555 4.901) 8.185 7.614 ( 0.000 -8.681 -3.647) 9.416 8.493 ( 0.000 8.584 19.772) 21.555 8.779 ( 0.000 -2.508 7.857) 8.247 8.915 ( 0.000 6.756 -8.805) 11.098 9.098 ( 0.000 -1.366 -10.810) 10.896 9.176 ( 0.000 -2.206 11.592) 11.800 9.237 ( 0.000 -4.018 3.775) 5.513 9.470 ( 0.000 1.078 -3.405) 3.572 9.592 ( 0.000 -3.503 -14.057) 14.487 10.434 ( 0.000 2.189 7.327) 7.647 10.497 ( 0.000 0.002 12.503) 12.503 10.619 ( 0.000 4.646 -6.804) 8.239 10.799 ( 0.000 -2.168 -13.406) 13.580 12.543 ( 0.000 3.472 10.192) 10.767 12.704 ( 0.000 -1.624 -5.739) 5.965 12.917 ( 0.000 -4.406 5.101) 6.740 12.992 ( 0.000 -6.063 -1.999) 6.384 16.035 ( 0.000 24.602 19.529) 31.410 16.198 ( 0.000 1.776 32.122) 32.171 16.273 ( 0.000 0.049 31.330) 31.331 16.463 ( 0.000 18.752 -22.786) 29.510 16.817 ( 0.000 0.682 -29.030) 29.038 16.855 ( 0.000 -0.586 -27.865) 27.871 17.356 ( 0.000 -33.160 6.333) 33.759 17.493 ( 0.000 -27.551 -7.884) 28.657 20.980 ( 0.000 3.678 2.215) 4.293 20.997 ( 0.000 3.390 0.235) 3.398 21.299 ( 0.000 6.821 3.928) 7.872 21.361 ( 0.000 3.801 -2.259) 4.421 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 4.522 -7.051 5.245) 9.883 2.133 ( 2.803 -11.540 -8.724) 14.735 2.546 ( -1.121 9.056 11.779) 14.900 2.723 ( 0.128 -7.996 -2.948) 8.523 2.753 ( -0.099 1.775 -5.354) 5.641 2.813 ( 1.347 -5.375 -7.883) 9.636 3.149 ( -1.092 0.774 -1.197) 1.796 3.172 ( -1.636 -1.264 -1.901) 2.808 3.366 ( -0.931 0.907 3.848) 4.061 3.402 ( -4.270 -1.206 0.260) 4.445 3.701 ( -4.177 -6.064 -0.840) 7.411 3.765 ( -4.143 -7.255 -6.648) 10.677 4.521 ( 2.395 9.569 2.962) 10.299 4.560 ( 4.788 8.462 -1.188) 9.795 4.861 ( -3.835 2.413 14.473) 15.165 4.946 ( 1.761 -0.906 6.438) 6.736 5.152 ( -10.532 12.060 16.607) 23.069 5.307 ( -4.170 4.720 5.315) 8.241 5.421 ( -6.550 8.889 1.924) 11.208 5.633 ( -1.737 0.562 3.711) 4.135 5.785 ( 0.297 1.481 8.214) 8.352 5.883 ( -2.900 4.798 -9.409) 10.953 5.939 ( 5.867 -1.355 -7.655) 9.739 6.035 ( 14.201 6.748 6.798) 17.129 6.125 ( 1.539 -0.857 -22.229) 22.298 6.278 ( -0.020 4.034 -13.783) 14.361 6.731 ( 3.965 -13.528 11.563) 18.233 6.939 ( 3.221 -13.707 -8.961) 16.689 7.190 ( 7.984 8.393 0.895) 11.619 7.280 ( 9.209 1.940 -7.305) 11.913 7.621 ( 7.804 -6.938 3.979) 11.175 7.691 ( 7.021 -9.147 -3.529) 12.059 8.440 ( -3.924 11.459 18.929) 22.472 8.769 ( -3.343 5.716 -9.149) 11.294 8.901 ( 1.508 -1.507 9.240) 9.483 9.118 ( 1.498 -2.203 -4.412) 5.154 9.235 ( 4.443 -2.995 4.399) 6.933 9.259 ( 2.584 -3.376 4.243) 6.006 9.482 ( 1.230 0.264 -3.460) 3.681 9.599 ( 0.674 -3.913 -13.795) 14.355 10.432 ( -0.088 2.172 7.158) 7.481 10.496 ( -0.124 -0.122 11.665) 11.667 10.612 ( -0.771 4.385 -6.227) 7.655 10.787 ( -1.234 -2.330 -12.923) 13.189 12.545 ( 0.315 3.889 9.747) 10.499 12.697 ( -0.621 -0.732 -5.414) 5.498 12.905 ( -1.072 -4.840 4.841) 6.929 12.967 ( -2.233 -5.761 -1.188) 6.292 15.734 ( -16.567 21.864 20.602) 34.307 16.159 ( -19.523 18.701 -22.997) 35.493 16.370 ( 10.700 -5.769 29.835) 32.217 16.605 ( 24.585 6.159 28.505) 38.143 16.906 ( 4.945 -9.644 -24.194) 26.510 17.150 ( 22.816 2.580 -26.353) 34.953 17.390 ( 3.847 -29.577 7.026) 30.642 17.557 ( 6.893 -20.847 -10.303) 24.254 20.938 ( -4.593 4.237 1.333) 6.389 20.940 ( -5.414 4.420 0.988) 7.059 21.248 ( -5.113 6.564 3.708) 9.109 21.312 ( -4.805 3.404 -2.671) 6.466 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 8.653 -7.653 3.307) 12.015 2.213 ( 5.391 -10.812 -5.644) 13.335 2.508 ( -2.584 9.464 8.663) 13.088 2.696 ( -3.827 5.127 -10.639) 12.415 2.759 ( 1.652 -4.528 1.699) 5.110 2.837 ( 1.387 -6.621 -5.173) 8.515 3.074 ( -5.476 -7.802 -0.040) 9.532 3.128 ( -3.927 -5.675 -4.946) 8.490 3.309 ( -2.661 0.048 5.832) 6.410 3.367 ( -0.826 0.908 0.815) 1.473 3.604 ( -5.124 -4.357 -1.236) 6.839 3.664 ( -5.956 -4.242 -7.097) 10.190 4.479 ( -9.543 6.938 12.653) 17.301 4.617 ( -5.208 3.141 9.503) 11.282 4.747 ( -5.690 9.757 5.805) 12.699 4.946 ( 3.197 10.296 11.554) 15.803 5.093 ( 2.985 6.864 -4.601) 8.786 5.145 ( -12.572 3.071 -15.834) 20.450 5.417 ( 6.492 4.518 -0.781) 7.948 5.463 ( -10.162 -0.611 -6.848) 12.269 5.766 ( 0.516 -0.128 9.540) 9.555 5.939 ( 4.465 0.738 -0.297) 4.535 6.036 ( 2.025 -7.726 -4.590) 9.212 6.101 ( 2.009 -6.676 -7.314) 10.105 6.337 ( 14.521 11.573 3.696) 18.933 6.421 ( 10.100 10.133 -2.510) 14.525 6.823 ( 5.359 -3.544 10.913) 12.664 7.027 ( 4.961 -5.151 -9.091) 11.566 7.381 ( 11.340 2.223 2.703) 11.868 7.497 ( 12.621 -1.530 -7.579) 14.801 7.775 ( 6.807 -6.439 2.759) 9.768 7.831 ( 6.234 -8.317 -3.247) 10.889 8.392 ( -0.347 14.434 16.009) 21.558 8.684 ( -4.183 13.084 -13.106) 18.986 8.951 ( 2.582 -8.364 13.454) 16.051 9.153 ( 1.883 -4.735 -5.178) 7.265 9.298 ( 2.828 -3.637 7.069) 8.438 9.344 ( 4.950 -2.524 3.732) 6.693 9.515 ( 1.991 -1.705 -3.557) 4.419 9.611 ( 0.312 -4.692 -12.788) 13.625 10.435 ( 0.461 1.891 5.928) 6.240 10.493 ( -0.095 -0.303 9.562) 9.567 10.590 ( -1.486 3.489 -4.493) 5.880 10.752 ( -2.359 -2.724 -11.426) 11.980 12.556 ( 0.767 4.816 8.504) 9.803 12.680 ( -1.166 1.438 -4.007) 4.414 12.885 ( -0.884 -5.876 4.117) 7.228 12.921 ( -2.214 -5.434 0.345) 5.878 15.463 ( -11.265 26.876 15.093) 32.818 15.801 ( -16.885 23.394 -19.461) 34.801 16.614 ( 12.867 -19.579 22.046) 32.170 16.957 ( 4.474 -24.041 -8.954) 26.041 17.135 ( 24.499 0.240 20.442) 31.908 17.501 ( 10.712 -17.891 8.541) 22.534 17.603 ( 20.309 0.389 -19.534) 28.181 17.760 ( 13.387 -8.157 -14.191) 21.145 20.789 ( -9.136 7.790 2.341) 12.233 20.828 ( -6.773 5.689 -1.190) 8.925 21.113 ( -8.405 5.464 3.314) 10.558 21.187 ( -7.731 2.126 -3.920) 8.925 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.362 -5.697 1.293) 9.399 2.333 ( 6.620 -6.699 -1.578) 9.550 2.464 ( -1.219 6.737 6.225) 9.253 2.611 ( -3.870 5.408 -7.459) 9.993 2.807 ( 3.155 -4.487 2.388) 5.983 2.880 ( 3.239 -7.106 -4.473) 9.000 2.977 ( -3.509 -9.630 2.392) 10.525 3.061 ( -1.765 -6.629 -6.462) 9.424 3.258 ( -3.528 -0.663 5.019) 6.171 3.334 ( -3.019 -1.336 -1.696) 3.712 3.508 ( -5.330 -2.585 -0.638) 5.958 3.549 ( -5.315 -3.838 -5.699) 8.686 4.247 ( -10.766 4.053 13.347) 17.620 4.393 ( -11.176 -2.423 16.219) 19.845 4.577 ( -14.158 10.489 -16.490) 24.133 4.815 ( -19.965 -1.674 -23.423) 30.822 5.086 ( 7.848 19.635 5.542) 21.859 5.173 ( 5.052 10.477 -4.169) 12.356 5.461 ( 8.213 4.113 4.250) 10.121 5.558 ( 6.399 6.496 -5.925) 10.874 5.837 ( 5.482 -2.744 9.021) 10.907 5.971 ( -0.057 -3.746 -3.605) 5.199 6.080 ( 1.780 -9.955 3.364) 10.658 6.140 ( 1.106 -14.834 -0.556) 14.886 6.574 ( 9.645 13.540 2.986) 16.890 6.594 ( 7.564 12.512 1.824) 14.734 6.933 ( 5.642 -0.368 9.384) 10.955 7.099 ( 1.869 -1.254 -6.650) 7.021 7.607 ( 11.233 1.054 3.925) 11.945 7.728 ( 10.019 -0.597 -6.885) 12.171 7.871 ( 3.447 -3.356 1.939) 5.187 7.908 ( 1.949 -3.878 -1.762) 4.684 8.428 ( 3.471 12.544 9.998) 16.412 8.618 ( -2.769 13.492 -9.081) 16.498 9.000 ( 2.817 -9.769 10.260) 14.444 9.173 ( -0.298 -9.545 -6.574) 11.594 9.352 ( 2.991 -0.618 7.811) 8.387 9.436 ( 4.300 -3.038 3.023) 6.071 9.549 ( 1.142 -4.076 -2.586) 4.961 9.608 ( -0.568 -5.082 -9.452) 10.746 10.452 ( 1.216 1.218 3.451) 3.856 10.499 ( 1.036 -0.449 5.504) 5.619 10.556 ( -1.899 1.969 -1.250) 3.008 10.697 ( -3.340 -3.067 -8.696) 9.807 12.574 ( 1.119 5.598 6.676) 8.785 12.654 ( -1.497 3.627 -1.249) 4.118 12.875 ( -0.173 -6.578 3.114) 7.280 12.890 ( -0.967 -5.696 1.389) 5.942 15.302 ( -5.330 31.108 8.004) 32.560 15.518 ( -12.256 28.468 -13.963) 33.994 16.817 ( 7.661 -35.546 10.777) 37.926 16.989 ( 0.001 -38.301 -7.168) 38.966 17.606 ( 22.392 1.676 20.708) 30.546 17.756 ( 15.257 -7.076 14.534) 22.228 17.945 ( 13.551 1.154 -13.293) 19.018 18.018 ( 11.439 -2.431 -11.112) 16.132 20.617 ( -7.611 11.856 2.137) 14.250 20.692 ( -6.917 9.473 -4.887) 12.707 20.948 ( -7.840 2.615 2.781) 8.720 21.028 ( -8.252 0.339 -5.079) 9.696 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 1.297 2.785 0.599) 3.130 2.392 ( -0.191 7.503 -0.833) 7.551 2.511 ( 4.585 -6.923 3.239) 8.912 2.567 ( -1.403 -2.173 -1.982) 3.259 2.876 ( 3.558 -4.265 5.672) 7.939 2.922 ( -0.734 -7.876 5.642) 9.716 2.990 ( 5.483 -7.366 -4.109) 10.060 3.065 ( 0.548 -7.794 -8.056) 11.223 3.185 ( -2.545 -0.153 2.848) 3.823 3.234 ( -6.245 0.049 -2.369) 6.679 3.424 ( -1.882 -4.259 1.192) 4.806 3.455 ( -4.345 -5.967 -1.670) 7.568 4.149 ( 1.511 3.384 0.098) 3.707 4.290 ( -3.038 -0.404 -5.177) 6.016 4.299 ( -7.816 2.779 -7.451) 11.150 4.460 ( -14.772 -2.289 -14.830) 21.057 5.201 ( 3.959 24.486 2.020) 24.886 5.236 ( 0.626 21.733 -1.875) 21.823 5.636 ( 7.425 4.967 2.114) 9.180 5.667 ( 4.045 4.607 -1.331) 6.274 5.901 ( 0.641 -8.219 3.411) 8.922 5.934 ( -3.237 -9.418 0.573) 9.975 6.116 ( 2.422 -12.169 3.457) 12.880 6.149 ( -0.435 -13.481 0.667) 13.505 6.701 ( 3.795 14.965 3.989) 15.946 6.709 ( 3.322 14.143 3.302) 14.899 7.025 ( 3.932 -0.774 4.912) 6.340 7.090 ( -2.477 -0.758 -1.385) 2.937 7.785 ( 6.537 2.622 2.113) 7.354 7.843 ( 1.171 1.739 -2.971) 3.636 7.920 ( 1.657 -1.712 0.627) 2.464 7.929 ( 0.572 -0.839 0.153) 1.027 8.501 ( 3.706 10.626 3.282) 11.723 8.565 ( -2.939 11.460 -3.161) 12.246 9.065 ( 3.791 -10.687 5.299) 12.516 9.136 ( -3.189 -11.351 -0.945) 11.828 9.420 ( 3.798 0.174 0.743) 3.874 9.477 ( -1.047 -1.282 -2.838) 3.286 9.565 ( 1.423 -6.151 0.916) 6.380 9.594 ( -1.024 -5.727 -2.165) 6.208 10.477 ( 1.426 0.906 1.850) 2.505 10.508 ( -1.597 1.284 -1.599) 2.599 10.553 ( 3.030 -1.914 2.452) 4.342 10.625 ( -3.959 -2.907 -4.338) 6.553 12.598 ( 1.307 5.740 4.444) 7.376 12.625 ( -1.460 5.080 1.805) 5.586 12.875 ( 0.153 -6.560 2.357) 6.972 12.879 ( -0.278 -6.264 1.909) 6.554 15.258 ( 0.807 33.022 0.314) 33.033 15.332 ( -6.790 32.039 -7.218) 33.537 16.921 ( 3.636 -42.700 2.747) 42.942 16.971 ( -1.735 -42.986 -2.491) 43.093 17.960 ( 13.282 1.053 11.891) 17.858 18.031 ( 11.337 -2.238 10.302) 15.481 18.088 ( 0.536 0.769 -0.871) 1.280 18.143 ( 0.484 -1.533 -0.673) 1.743 20.528 ( -1.060 14.868 -1.437) 14.975 20.573 ( -4.977 14.268 -5.651) 16.133 20.849 ( -1.590 -0.986 -0.082) 1.873 20.890 ( -5.359 -1.231 -4.133) 6.879 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -4.140 -3.692) 5.547 1.933 ( 0.000 4.140 -3.692) 5.547 2.615 ( 0.000 -1.874 -2.079) 2.799 2.615 ( 0.000 1.874 -2.079) 2.799 2.768 ( 0.000 -5.889 0.607) 5.920 2.768 ( 0.000 5.889 0.607) 5.920 3.199 ( 0.000 -1.515 1.337) 2.021 3.199 ( 0.000 1.515 1.337) 2.021 3.421 ( 0.000 -1.470 -0.938) 1.744 3.421 ( 0.000 1.470 -0.938) 1.744 3.673 ( 0.000 -1.659 -4.260) 4.572 3.673 ( 0.000 1.659 -4.260) 4.572 4.597 ( 0.000 -0.124 -0.929) 0.937 4.597 ( 0.000 0.124 -0.929) 0.937 4.893 ( 0.000 -1.124 8.484) 8.558 4.893 ( 0.000 1.124 8.484) 8.558 5.436 ( 0.000 -3.559 9.567) 10.207 5.436 ( 0.000 3.559 9.567) 10.207 5.672 ( 0.000 -8.719 16.468) 18.634 5.672 ( 0.000 8.719 16.468) 18.634 5.786 ( 0.000 -3.720 1.573) 4.039 5.786 ( 0.000 3.720 1.573) 4.039 6.072 ( 0.000 -5.237 -1.601) 5.476 6.072 ( 0.000 5.237 -1.601) 5.476 6.242 ( 0.000 -2.616 -16.952) 17.152 6.242 ( 0.000 2.616 -16.952) 17.152 6.452 ( 0.000 -17.419 -9.731) 19.953 6.452 ( 0.000 17.419 -9.731) 19.953 7.332 ( 0.000 -6.335 -0.003) 6.335 7.332 ( 0.000 6.335 -0.003) 6.335 7.417 ( 0.000 -6.840 -2.445) 7.264 7.417 ( 0.000 6.840 -2.445) 7.264 8.670 ( 0.000 -7.592 18.288) 19.801 8.670 ( 0.000 7.592 18.288) 19.801 9.042 ( 0.000 -4.543 -12.541) 13.338 9.042 ( 0.000 4.543 -12.541) 13.338 9.172 ( 0.000 -1.733 6.896) 7.111 9.172 ( 0.000 1.733 6.896) 7.111 9.510 ( 0.000 -3.407 -9.270) 9.876 9.510 ( 0.000 3.407 -9.270) 9.876 10.478 ( 0.000 -1.749 9.197) 9.362 10.478 ( 0.000 1.749 9.197) 9.362 10.725 ( 0.000 -4.868 -9.216) 10.423 10.725 ( 0.000 4.868 -9.216) 10.423 12.632 ( 0.000 -4.776 4.266) 6.403 12.632 ( 0.000 4.776 4.266) 6.403 12.897 ( 0.000 -2.454 -0.476) 2.499 12.897 ( 0.000 2.454 -0.476) 2.499 16.228 ( 0.000 -1.015 32.448) 32.464 16.228 ( 0.000 1.015 32.448) 32.464 16.658 ( 0.000 -30.670 11.167) 32.640 16.658 ( 0.000 30.670 11.167) 32.640 16.828 ( 0.000 -0.453 -27.298) 27.302 16.828 ( 0.000 0.453 -27.298) 27.302 16.948 ( 0.000 -22.671 -15.741) 27.600 16.948 ( 0.000 22.671 -15.741) 27.600 21.025 ( 0.000 -0.545 1.469) 1.567 21.025 ( 0.000 0.545 1.469) 1.567 21.389 ( 0.000 -1.480 0.712) 1.643 21.389 ( 0.000 1.480 0.712) 1.643 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 3.526 -3.620 -3.449) 6.119 1.965 ( 3.526 3.620 -3.449) 6.119 2.627 ( 1.355 -1.311 -1.438) 2.371 2.627 ( 1.355 1.311 -1.438) 2.371 2.800 ( 2.247 -5.746 -0.038) 6.170 2.800 ( 2.247 5.746 -0.038) 6.170 3.135 ( -6.898 -1.156 -1.893) 7.246 3.135 ( -6.898 1.156 -1.893) 7.246 3.386 ( -2.595 -1.827 3.425) 4.669 3.386 ( -2.595 1.827 3.425) 4.669 3.654 ( -2.051 -2.581 -5.366) 6.297 3.654 ( -2.051 2.581 -5.366) 6.297 4.631 ( 2.929 -1.252 1.191) 3.401 4.631 ( 2.929 1.252 1.191) 3.401 4.912 ( 1.003 -2.328 10.310) 10.617 4.912 ( 1.003 2.328 10.310) 10.617 5.332 ( -7.431 -3.626 7.278) 11.015 5.332 ( -7.431 3.626 7.278) 11.015 5.574 ( -8.258 -5.833 2.911) 10.521 5.574 ( -8.258 5.833 2.911) 10.521 5.830 ( 1.984 -3.768 5.294) 6.794 5.830 ( 1.984 3.768 5.294) 6.794 6.037 ( -4.226 -3.912 -14.459) 15.563 6.037 ( -4.226 3.912 -14.459) 15.563 6.330 ( 11.123 -13.004 1.128) 17.149 6.330 ( 11.123 13.004 1.128) 17.149 6.573 ( 10.097 -14.960 -6.193) 19.082 6.573 ( 10.097 14.960 -6.193) 19.082 7.374 ( 4.312 -3.580 -1.965) 5.939 7.374 ( 4.312 3.580 -1.965) 5.939 7.508 ( 8.414 -3.798 -1.636) 9.376 7.508 ( 8.414 3.798 -1.636) 9.376 8.674 ( 0.398 -10.119 17.254) 20.006 8.674 ( 0.398 10.119 17.254) 20.006 9.017 ( -2.004 -7.427 -10.620) 13.113 9.017 ( -2.004 7.427 -10.620) 13.113 9.214 ( 3.660 -1.302 6.136) 7.263 9.214 ( 3.660 1.302 6.136) 7.263 9.514 ( 0.339 -3.330 -9.385) 9.964 9.514 ( 0.339 3.330 -9.385) 9.964 10.476 ( -0.161 -1.736 8.947) 9.115 10.476 ( -0.161 1.736 8.947) 9.115 10.712 ( -1.289 -4.728 -9.003) 10.250 10.712 ( -1.289 4.728 -9.003) 10.250 12.640 ( 0.778 -4.663 4.109) 6.264 12.640 ( 0.778 4.663 4.109) 6.264 12.876 ( -1.952 -2.286 -0.127) 3.009 12.876 ( -1.952 2.286 -0.127) 3.009 16.157 ( -5.225 -16.206 24.146) 29.546 16.157 ( -5.225 16.206 24.146) 29.546 16.577 ( -12.765 -19.832 -19.263) 30.452 16.577 ( -12.765 19.832 -19.263) 30.452 16.851 ( 16.247 -18.545 17.798) 30.408 16.851 ( 16.247 18.545 17.798) 30.408 17.261 ( 20.044 -8.089 -21.807) 30.704 17.261 ( 20.044 8.089 -21.807) 30.704 20.983 ( -4.187 -0.178 1.442) 4.432 20.983 ( -4.187 0.178 1.442) 4.432 21.337 ( -5.281 -1.529 0.308) 5.506 21.337 ( -5.281 1.529 0.308) 5.506 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 7.588 -2.116 -2.201) 8.180 2.074 ( 7.588 2.116 -2.201) 8.180 2.666 ( 2.416 -2.796 -0.702) 3.761 2.666 ( 2.416 2.796 -0.702) 3.761 2.820 ( -0.494 -7.217 -0.145) 7.235 2.820 ( -0.494 7.217 -0.145) 7.235 2.952 ( -10.195 -7.715 -4.970) 13.717 2.952 ( -10.195 7.715 -4.970) 13.717 3.344 ( -1.941 -2.342 6.000) 6.727 3.344 ( -1.941 2.342 6.000) 6.727 3.595 ( -4.035 -2.456 -6.084) 7.702 3.595 ( -4.035 2.456 -6.084) 7.702 4.584 ( -11.056 -3.715 17.051) 20.658 4.584 ( -11.056 3.715 17.051) 20.658 4.936 ( 2.507 -6.533 -4.185) 8.153 4.936 ( 2.507 6.533 -4.185) 8.153 5.214 ( -8.156 -2.485 -9.692) 12.909 5.214 ( -8.156 2.485 -9.692) 12.909 5.473 ( 4.283 -2.870 3.918) 6.475 5.473 ( 4.283 2.870 3.918) 6.475 5.829 ( -0.460 -7.618 3.457) 8.378 5.829 ( -0.460 7.618 3.457) 8.378 5.995 ( -1.429 -4.130 -7.037) 8.284 5.995 ( -1.429 4.130 -7.037) 8.284 6.572 ( 11.998 -6.497 3.797) 14.163 6.572 ( 11.998 6.497 3.797) 14.163 6.786 ( 10.914 -11.301 0.694) 15.726 6.786 ( 10.914 11.301 0.694) 15.726 7.503 ( 8.835 -4.196 -3.856) 10.514 7.503 ( 8.835 4.196 -3.856) 10.514 7.688 ( 9.169 -2.673 -1.205) 9.626 7.688 ( 9.169 2.673 -1.205) 9.626 8.687 ( 1.096 -13.085 14.219) 19.354 8.687 ( 1.096 13.085 14.219) 19.354 8.976 ( -2.247 -10.974 -9.228) 14.513 8.976 ( -2.247 10.974 -9.228) 14.513 9.293 ( 4.298 -2.052 7.006) 8.471 9.293 ( 4.298 2.052 7.006) 8.471 9.521 ( 0.365 -2.814 -9.040) 9.475 9.521 ( 0.365 2.814 -9.040) 9.475 10.474 ( 0.003 -1.577 7.907) 8.062 10.474 ( 0.003 1.577 7.907) 8.062 10.676 ( -2.412 -4.385 -8.113) 9.532 10.676 ( -2.412 4.385 -8.113) 9.532 12.661 ( 1.419 -4.359 3.709) 5.897 12.661 ( 1.419 4.359 3.709) 5.897 12.831 ( -2.462 -2.095 0.727) 3.313 12.831 ( -2.462 2.095 0.727) 3.313 16.069 ( -3.510 -29.838 14.718) 33.455 16.069 ( -3.510 29.838 14.718) 33.455 16.361 ( -9.567 -29.139 -14.776) 34.043 16.361 ( -9.567 29.139 -14.776) 34.043 17.234 ( 22.028 -8.012 21.919) 32.091 17.234 ( 22.028 8.012 21.919) 32.091 17.652 ( 19.480 -3.443 -19.858) 28.030 17.652 ( 19.480 3.443 -19.858) 28.030 20.877 ( -6.231 -0.878 1.183) 6.403 20.877 ( -6.231 0.878 1.183) 6.403 21.196 ( -8.986 -1.839 -0.913) 9.217 21.196 ( -8.986 1.839 -0.913) 9.217 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 9.456 -0.480 0.037) 9.469 2.244 ( 9.456 0.480 0.037) 9.469 2.661 ( -5.376 -8.015 -0.513) 9.665 2.661 ( -5.376 8.015 -0.513) 9.665 2.791 ( 1.285 -2.563 -0.285) 2.881 2.791 ( 1.285 2.563 -0.285) 2.881 2.859 ( 0.436 -7.517 -3.893) 8.476 2.859 ( 0.436 7.517 -3.893) 8.476 3.298 ( -2.861 -2.597 3.647) 5.313 3.298 ( -2.861 2.597 3.647) 5.313 3.495 ( -6.459 -1.172 -4.311) 7.854 3.495 ( -6.459 1.172 -4.311) 7.854 4.327 ( -11.567 -3.697 15.557) 19.736 4.327 ( -11.567 3.697 15.557) 19.736 4.737 ( -19.156 -5.668 -23.123) 30.557 4.737 ( -19.156 5.668 -23.123) 30.557 5.283 ( 12.493 -1.394 2.403) 12.798 5.283 ( 12.493 1.394 2.403) 12.798 5.654 ( 10.303 -7.355 2.505) 12.905 5.654 ( 10.303 7.355 2.505) 12.905 5.838 ( 0.595 -7.822 3.152) 8.454 5.838 ( 0.595 7.822 3.152) 8.454 5.933 ( -4.727 -2.633 -3.441) 6.413 5.933 ( -4.727 2.633 -3.441) 6.413 6.772 ( 8.829 -2.617 3.535) 9.864 6.772 ( 8.829 2.617 3.535) 9.864 6.957 ( 5.906 -8.347 3.499) 10.807 6.957 ( 5.906 8.347 3.499) 10.807 7.689 ( 9.574 -4.865 -1.995) 10.923 7.689 ( 9.574 4.865 -1.995) 10.923 7.839 ( 6.020 -2.202 -0.802) 6.460 7.839 ( 6.020 2.202 -0.802) 6.460 8.719 ( 2.277 -14.037 9.042) 16.852 8.719 ( 2.277 14.037 9.042) 16.852 8.925 ( -3.152 -13.057 -7.208) 15.244 8.925 ( -3.152 13.057 -7.208) 15.244 9.376 ( 4.203 -2.592 6.176) 7.907 9.376 ( 4.203 2.592 6.176) 7.907 9.523 ( -0.335 -1.986 -6.914) 7.201 9.523 ( -0.335 1.986 -6.914) 7.201 10.481 ( 0.821 -1.305 5.548) 5.759 10.481 ( 0.821 1.305 5.548) 5.759 10.622 ( -3.122 -3.898 -6.019) 7.821 10.622 ( -3.122 3.898 -6.019) 7.821 12.692 ( 1.675 -3.912 3.245) 5.351 12.692 ( 1.675 3.912 3.245) 5.351 12.787 ( -1.978 -2.283 1.661) 3.448 12.787 ( -1.978 2.283 1.661) 3.448 16.026 ( -0.892 -36.455 7.128) 37.156 16.026 ( -0.892 36.455 7.128) 37.156 16.204 ( -6.798 -34.886 -9.651) 36.829 16.204 ( -6.798 34.886 -9.651) 36.829 17.658 ( 20.658 -3.345 19.403) 28.538 17.658 ( 20.658 3.345 19.403) 28.538 17.976 ( 12.884 -1.774 -12.554) 18.076 17.976 ( 12.884 1.774 -12.554) 18.076 20.768 ( -4.359 -2.264 0.081) 4.912 20.768 ( -4.359 2.264 0.081) 4.912 21.006 ( -10.093 -2.515 -2.548) 10.709 21.006 ( -10.093 2.515 -2.548) 10.709 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 7.599 -2.023 1.487) 8.003 2.414 ( 7.599 2.023 1.487) 8.003 2.540 ( -6.024 -4.316 0.279) 7.416 2.540 ( -6.024 4.316 0.279) 7.416 2.854 ( 3.635 -2.231 -0.234) 4.271 2.854 ( 3.635 2.231 -0.234) 4.271 2.888 ( 0.895 -4.483 -1.236) 4.736 2.888 ( 0.895 4.483 -1.236) 4.736 3.260 ( 0.565 -2.203 1.093) 2.524 3.260 ( 0.565 2.203 1.093) 2.524 3.351 ( -7.575 -0.498 -0.696) 7.623 3.351 ( -7.575 0.498 -0.696) 7.623 4.224 ( 1.791 -3.714 0.252) 4.131 4.224 ( 1.791 3.714 0.252) 4.131 4.391 ( -14.604 -4.152 -15.272) 21.535 4.391 ( -14.604 4.152 -15.272) 21.535 5.534 ( 12.397 -0.869 1.885) 12.570 5.534 ( 12.397 0.869 1.885) 12.570 5.738 ( -7.196 -4.700 1.676) 8.757 5.738 ( -7.196 4.700 1.676) 8.757 5.833 ( 3.738 -6.265 1.246) 7.401 5.833 ( 3.738 6.265 1.246) 7.401 5.881 ( -0.909 -6.371 -0.589) 6.462 5.881 ( -0.909 6.371 -0.589) 6.462 6.918 ( 6.226 -3.048 3.445) 7.741 6.918 ( 6.226 3.048 3.445) 7.741 6.998 ( -1.481 -5.345 3.444) 6.529 6.998 ( -1.481 5.345 3.444) 6.529 7.846 ( 5.994 -2.627 0.755) 6.588 7.846 ( 5.994 2.627 0.755) 6.588 7.904 ( 0.255 -1.286 0.561) 1.425 7.904 ( 0.255 1.286 0.561) 1.425 8.777 ( 3.651 -14.034 2.380) 14.695 8.777 ( 3.651 14.034 2.380) 14.695 8.854 ( -4.056 -13.837 -3.412) 14.817 8.854 ( -4.056 13.837 -3.412) 14.817 9.451 ( 3.409 -2.760 2.326) 4.964 9.451 ( 3.409 2.760 2.326) 4.964 9.503 ( -1.832 -2.178 -2.735) 3.948 9.503 ( -1.832 2.178 -2.735) 3.948 10.509 ( 2.118 -1.928 1.789) 3.377 10.509 ( 2.118 1.928 1.789) 3.377 10.560 ( -3.070 -3.092 -2.504) 5.026 10.560 ( -3.070 3.092 -2.504) 5.026 12.724 ( 1.581 -3.361 2.827) 4.667 12.724 ( 1.581 3.361 2.827) 4.667 12.754 ( -1.568 -2.777 2.360) 3.967 12.754 ( -1.568 2.777 2.360) 3.967 16.035 ( 1.829 -38.441 0.888) 38.495 16.035 ( 1.829 38.441 0.888) 38.495 16.096 ( -4.373 -37.752 -4.511) 38.271 16.096 ( -4.373 37.752 -4.511) 38.271 17.990 ( 12.602 -1.759 11.314) 17.027 17.990 ( 12.602 1.759 11.314) 17.027 18.112 ( 0.483 -1.427 -0.754) 1.684 18.112 ( 0.483 1.427 -0.754) 1.684 20.736 ( 1.543 -3.236 -2.039) 4.124 20.736 ( 1.543 3.236 -2.039) 4.124 20.828 ( -7.621 -3.209 -3.323) 8.911 20.828 ( -7.621 3.209 -3.323) 8.911 =================== 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 3/29160 10.0 1815.118 1388.799 2386.563 0.000 0.000 0.000 3/29160 20.0 421.411 366.549 390.431 0.000 0.000 0.000 3/29160 30.0 136.880 138.032 127.373 0.000 0.000 -0.000 3/29160 40.0 65.827 71.099 62.542 0.000 0.000 -0.000 3/29160 50.0 40.002 44.393 38.433 0.000 0.000 -0.000 3/29160 60.0 28.041 31.374 27.080 0.000 0.000 -0.000 3/29160 70.0 21.472 24.020 20.785 0.000 0.000 -0.000 3/29160 80.0 17.406 19.401 16.869 0.000 0.000 -0.000 3/29160 90.0 14.666 16.269 14.225 0.000 0.000 -0.000 3/29160 100.0 12.701 14.021 12.329 0.000 0.000 -0.000 3/29160 110.0 11.226 12.335 10.906 0.000 0.000 -0.000 3/29160 120.0 10.078 11.026 9.799 0.000 0.000 -0.000 3/29160 130.0 9.159 9.982 8.912 0.000 0.000 -0.000 3/29160 140.0 8.406 9.130 8.187 0.000 0.000 -0.000 3/29160 150.0 7.778 8.421 7.580 0.000 0.000 -0.000 3/29160 160.0 7.244 7.821 7.065 0.000 0.000 -0.000 3/29160 170.0 6.785 7.308 6.622 0.000 0.000 -0.000 3/29160 180.0 6.386 6.862 6.236 0.000 0.000 -0.000 3/29160 190.0 6.035 6.471 5.896 0.000 0.000 -0.000 3/29160 200.0 5.723 6.125 5.594 0.000 0.000 -0.000 3/29160 210.0 5.444 5.817 5.323 0.000 0.000 -0.000 3/29160 220.0 5.192 5.540 5.080 0.000 0.000 -0.000 3/29160 230.0 4.965 5.290 4.858 0.000 0.000 -0.000 3/29160 240.0 4.757 5.062 4.657 0.000 0.000 -0.000 3/29160 250.0 4.567 4.855 4.472 0.000 0.000 -0.000 3/29160 260.0 4.393 4.664 4.302 0.000 0.000 -0.000 3/29160 270.0 4.231 4.488 4.144 0.000 0.000 -0.000 3/29160 280.0 4.082 4.326 3.999 0.000 0.000 -0.000 3/29160 290.0 3.943 4.175 3.863 0.000 0.000 -0.000 3/29160 300.0 3.814 4.035 3.737 0.000 0.000 -0.000 3/29160 310.0 3.693 3.905 3.619 0.000 0.000 -0.000 3/29160 320.0 3.579 3.782 3.508 0.000 0.000 -0.000 3/29160 330.0 3.473 3.668 3.404 0.000 0.000 -0.000 3/29160 340.0 3.372 3.560 3.306 0.000 0.000 -0.000 3/29160 350.0 3.278 3.458 3.213 0.000 0.000 -0.000 3/29160 360.0 3.189 3.362 3.126 0.000 0.000 -0.000 3/29160 370.0 3.104 3.272 3.043 0.000 0.000 -0.000 3/29160 380.0 3.024 3.186 2.965 0.000 0.000 -0.000 3/29160 390.0 2.948 3.105 2.891 0.000 0.000 -0.000 3/29160 400.0 2.876 3.028 2.820 0.000 0.000 -0.000 3/29160 410.0 2.807 2.954 2.752 0.000 0.000 -0.000 3/29160 420.0 2.741 2.884 2.688 0.000 0.000 -0.000 3/29160 430.0 2.679 2.818 2.627 0.000 0.000 -0.000 3/29160 440.0 2.619 2.754 2.568 0.000 0.000 -0.000 3/29160 450.0 2.562 2.693 2.512 0.000 0.000 -0.000 3/29160 460.0 2.507 2.635 2.459 0.000 0.000 -0.000 3/29160 470.0 2.455 2.579 2.407 0.000 0.000 -0.000 3/29160 480.0 2.404 2.526 2.358 0.000 0.000 -0.000 3/29160 490.0 2.356 2.475 2.311 0.000 0.000 -0.000 3/29160 500.0 2.310 2.426 2.266 0.000 0.000 -0.000 3/29160 510.0 2.265 2.378 2.222 0.000 0.000 -0.000 3/29160 520.0 2.222 2.333 2.180 0.000 0.000 -0.000 3/29160 530.0 2.181 2.289 2.139 0.000 0.000 -0.000 3/29160 540.0 2.141 2.247 2.100 0.000 0.000 -0.000 3/29160 550.0 2.103 2.207 2.063 0.000 0.000 -0.000 3/29160 560.0 2.066 2.167 2.027 0.000 0.000 -0.000 3/29160 570.0 2.030 2.130 1.992 0.000 0.000 -0.000 3/29160 580.0 1.996 2.093 1.958 0.000 0.000 -0.000 3/29160 590.0 1.963 2.058 1.925 0.000 0.000 -0.000 3/29160 600.0 1.930 2.024 1.893 0.000 0.000 -0.000 3/29160 610.0 1.899 1.991 1.863 0.000 0.000 -0.000 3/29160 620.0 1.869 1.959 1.833 0.000 0.000 -0.000 3/29160 630.0 1.840 1.928 1.804 0.000 0.000 -0.000 3/29160 640.0 1.811 1.898 1.777 0.000 0.000 -0.000 3/29160 650.0 1.784 1.869 1.750 0.000 0.000 -0.000 3/29160 660.0 1.757 1.841 1.723 0.000 0.000 -0.000 3/29160 670.0 1.731 1.814 1.698 0.000 0.000 -0.000 3/29160 680.0 1.706 1.787 1.673 0.000 0.000 -0.000 3/29160 690.0 1.681 1.762 1.649 0.000 0.000 -0.000 3/29160 700.0 1.658 1.737 1.626 0.000 0.000 -0.000 3/29160 710.0 1.635 1.712 1.603 0.000 0.000 -0.000 3/29160 720.0 1.612 1.689 1.581 0.000 0.000 -0.000 3/29160 730.0 1.590 1.666 1.560 0.000 0.000 -0.000 3/29160 740.0 1.569 1.643 1.539 0.000 0.000 -0.000 3/29160 750.0 1.548 1.621 1.519 0.000 0.000 -0.000 3/29160 760.0 1.528 1.600 1.499 0.000 0.000 -0.000 3/29160 770.0 1.508 1.579 1.480 0.000 0.000 -0.000 3/29160 780.0 1.489 1.559 1.461 0.000 0.000 -0.000 3/29160 790.0 1.471 1.540 1.443 0.000 0.000 -0.000 3/29160 800.0 1.452 1.521 1.425 0.000 0.000 -0.000 3/29160 810.0 1.435 1.502 1.407 0.000 0.000 -0.000 3/29160 820.0 1.417 1.484 1.390 0.000 0.000 -0.000 3/29160 830.0 1.400 1.466 1.374 0.000 0.000 -0.000 3/29160 840.0 1.384 1.449 1.358 0.000 0.000 -0.000 3/29160 850.0 1.368 1.432 1.342 0.000 0.000 -0.000 3/29160 860.0 1.352 1.415 1.326 0.000 0.000 -0.000 3/29160 870.0 1.337 1.399 1.311 0.000 0.000 -0.000 3/29160 880.0 1.321 1.383 1.296 0.000 0.000 -0.000 3/29160 890.0 1.307 1.367 1.282 0.000 0.000 -0.000 3/29160 900.0 1.292 1.352 1.268 0.000 0.000 -0.000 3/29160 910.0 1.278 1.338 1.254 0.000 0.000 -0.000 3/29160 920.0 1.264 1.323 1.240 0.000 0.000 -0.000 3/29160 930.0 1.251 1.309 1.227 0.000 0.000 -0.000 3/29160 940.0 1.238 1.295 1.214 0.000 0.000 -0.000 3/29160 950.0 1.225 1.281 1.201 0.000 0.000 -0.000 3/29160 960.0 1.212 1.268 1.189 0.000 0.000 -0.000 3/29160 970.0 1.200 1.255 1.177 0.000 0.000 -0.000 3/29160 980.0 1.188 1.242 1.165 0.000 0.000 -0.000 3/29160 990.0 1.176 1.230 1.153 0.000 0.000 -0.000 3/29160 1000.0 1.164 1.218 1.142 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:19:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|