----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:33:34]------------------------- 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 5.410372840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.329264890000000 Atomic positions (fractional): *1 Na 0.03146439896667 0.75000000000000 0.00562778716870 22.990 2 Na 0.53146439896667 0.75000000000000 0.49437221283130 22.990 3 Na 0.46853560103333 0.25000000000000 0.50562778716870 22.990 4 Na 0.96853560103333 0.25000000000000 0.99437221283130 22.990 *5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *9 H 0.79451386603375 0.54290578459641 0.20409895442907 1.008 10 H 0.29451386603375 0.95709421540359 0.29590104557093 1.008 11 H 0.20548613396625 0.45709421540359 0.79590104557093 1.008 *12 H 0.97361887898137 0.75000000000000 0.58217976459356 1.008 13 H 0.47361887898137 0.75000000000000 0.91782023540644 1.008 14 H 0.29451386603375 0.54290578459641 0.29590104557093 1.008 15 H 0.70548613396625 0.04290578459641 0.70409895442907 1.008 16 H 0.70548613396625 0.45709421540359 0.70409895442907 1.008 17 H 0.02638112101863 0.25000000000000 0.41782023540644 1.008 18 H 0.20548613396625 0.04290578459641 0.79590104557093 1.008 19 H 0.52638112101863 0.25000000000000 0.08217976459356 1.008 20 H 0.79451386603375 0.95709421540359 0.20409895442907 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.410372840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.329264890000000 Atomic positions (fractional): *1 Na 0.03146439896667 0.75000000000000 0.00562778716870 22.990 > 1 2 Na 0.53146439896667 0.75000000000000 0.49437221283130 22.990 > 2 3 Na 0.46853560103333 0.25000000000000 0.50562778716870 22.990 > 3 4 Na 0.96853560103333 0.25000000000000 0.99437221283130 22.990 > 4 *5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 6 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 7 8 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 8 *9 H 0.79451386603375 0.54290578459641 0.20409895442907 1.008 > 9 10 H 0.29451386603375 0.95709421540359 0.29590104557093 1.008 > 10 11 H 0.20548613396625 0.45709421540359 0.79590104557093 1.008 > 11 *12 H 0.97361887898137 0.75000000000000 0.58217976459356 1.008 > 12 13 H 0.47361887898137 0.75000000000000 0.91782023540644 1.008 > 13 14 H 0.29451386603375 0.54290578459641 0.29590104557093 1.008 > 14 15 H 0.70548613396625 0.04290578459641 0.70409895442907 1.008 > 15 16 H 0.70548613396625 0.45709421540359 0.70409895442907 1.008 > 16 17 H 0.02638112101863 0.25000000000000 0.41782023540644 1.008 > 17 18 H 0.20548613396625 0.04290578459641 0.79590104557093 1.008 > 18 19 H 0.52638112101863 0.25000000000000 0.08217976459356 1.008 > 19 20 H 0.79451386603375 0.95709421540359 0.20409895442907 1.008 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.820745680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.658529780000000 Atomic positions (fractional): *1 Na 0.01573219948334 0.75000000000000 0.00281389358435 22.990 > 1 2 Na 0.51573219948334 0.75000000000000 0.00281389358435 22.990 > 1 3 Na 0.01573219948334 0.75000000000000 0.50281389358435 22.990 > 1 4 Na 0.51573219948334 0.75000000000000 0.50281389358435 22.990 > 1 5 Na 0.26573219948334 0.75000000000000 0.24718610641565 22.990 > 2 6 Na 0.76573219948334 0.75000000000000 0.24718610641565 22.990 > 2 7 Na 0.26573219948334 0.75000000000000 0.74718610641565 22.990 > 2 8 Na 0.76573219948334 0.75000000000000 0.74718610641565 22.990 > 2 9 Na 0.23426780051666 0.25000000000000 0.25281389358435 22.990 > 3 10 Na 0.73426780051666 0.25000000000000 0.25281389358435 22.990 > 3 11 Na 0.23426780051666 0.25000000000000 0.75281389358435 22.990 > 3 12 Na 0.73426780051666 0.25000000000000 0.75281389358435 22.990 > 3 13 Na 0.48426780051666 0.25000000000000 0.49718610641565 22.990 > 4 14 Na 0.98426780051666 0.25000000000000 0.49718610641565 22.990 > 4 15 Na 0.48426780051666 0.25000000000000 0.99718610641565 22.990 > 4 16 Na 0.98426780051666 0.25000000000000 0.99718610641565 22.990 > 4 *17 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 5 18 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 5 19 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 5 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 5 21 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 6 22 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 6 23 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 6 24 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 6 25 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 7 26 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 7 27 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 7 28 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 7 29 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 8 30 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 8 31 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 8 32 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 8 *33 H 0.39725693301688 0.54290578459641 0.10204947721453 1.008 > 9 34 H 0.89725693301688 0.54290578459641 0.10204947721453 1.008 > 9 35 H 0.39725693301688 0.54290578459641 0.60204947721453 1.008 > 9 36 H 0.89725693301688 0.54290578459641 0.60204947721453 1.008 > 9 37 H 0.14725693301688 0.95709421540359 0.14795052278547 1.008 > 10 38 H 0.64725693301688 0.95709421540359 0.14795052278547 1.008 > 10 39 H 0.14725693301688 0.95709421540359 0.64795052278547 1.008 > 10 40 H 0.64725693301688 0.95709421540359 0.64795052278547 1.008 > 10 41 H 0.10274306698312 0.45709421540359 0.39795052278547 1.008 > 11 42 H 0.60274306698312 0.45709421540359 0.39795052278547 1.008 > 11 43 H 0.10274306698312 0.45709421540359 0.89795052278547 1.008 > 11 44 H 0.60274306698312 0.45709421540359 0.89795052278547 1.008 > 11 *45 H 0.48680943949068 0.75000000000000 0.29108988229678 1.008 > 12 46 H 0.98680943949068 0.75000000000000 0.29108988229678 1.008 > 12 47 H 0.48680943949068 0.75000000000000 0.79108988229678 1.008 > 12 48 H 0.98680943949068 0.75000000000000 0.79108988229678 1.008 > 12 49 H 0.23680943949068 0.75000000000000 0.45891011770322 1.008 > 13 50 H 0.73680943949068 0.75000000000000 0.45891011770322 1.008 > 13 51 H 0.23680943949068 0.75000000000000 0.95891011770322 1.008 > 13 52 H 0.73680943949068 0.75000000000000 0.95891011770322 1.008 > 13 53 H 0.14725693301688 0.54290578459641 0.14795052278547 1.008 > 14 54 H 0.64725693301688 0.54290578459641 0.14795052278547 1.008 > 14 55 H 0.14725693301688 0.54290578459641 0.64795052278547 1.008 > 14 56 H 0.64725693301688 0.54290578459641 0.64795052278547 1.008 > 14 57 H 0.35274306698312 0.04290578459641 0.35204947721453 1.008 > 15 58 H 0.85274306698312 0.04290578459641 0.35204947721453 1.008 > 15 59 H 0.35274306698312 0.04290578459641 0.85204947721453 1.008 > 15 60 H 0.85274306698312 0.04290578459641 0.85204947721453 1.008 > 15 61 H 0.35274306698312 0.45709421540359 0.35204947721453 1.008 > 16 62 H 0.85274306698312 0.45709421540359 0.35204947721453 1.008 > 16 63 H 0.35274306698312 0.45709421540359 0.85204947721453 1.008 > 16 64 H 0.85274306698312 0.45709421540359 0.85204947721453 1.008 > 16 65 H 0.01319056050932 0.25000000000000 0.20891011770322 1.008 > 17 66 H 0.51319056050932 0.25000000000000 0.20891011770322 1.008 > 17 67 H 0.01319056050932 0.25000000000000 0.70891011770322 1.008 > 17 68 H 0.51319056050932 0.25000000000000 0.70891011770322 1.008 > 17 69 H 0.10274306698312 0.04290578459641 0.39795052278547 1.008 > 18 70 H 0.60274306698312 0.04290578459641 0.39795052278547 1.008 > 18 71 H 0.10274306698312 0.04290578459641 0.89795052278547 1.008 > 18 72 H 0.60274306698312 0.04290578459641 0.89795052278547 1.008 > 18 73 H 0.26319056050932 0.25000000000000 0.04108988229678 1.008 > 19 74 H 0.76319056050932 0.25000000000000 0.04108988229678 1.008 > 19 75 H 0.26319056050932 0.25000000000000 0.54108988229678 1.008 > 19 76 H 0.76319056050932 0.25000000000000 0.54108988229678 1.008 > 19 77 H 0.39725693301688 0.95709421540359 0.10204947721453 1.008 > 20 78 H 0.89725693301688 0.95709421540359 0.10204947721453 1.008 > 20 79 H 0.39725693301688 0.95709421540359 0.60204947721453 1.008 > 20 80 H 0.89725693301688 0.95709421540359 0.60204947721453 1.008 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8060521 0.0000000 0.0000000 0.0000000 3.7994800 0.0000000 0.0000000 0.0000000 3.7872331 -------------------------- Born effective charges -------------------------- 1 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 2 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 3 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 4 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 5 Mg 1.7643636 0.0101892 -0.0901083 0.0303186 1.7561370 0.1122720 0.0797371 -0.1244930 1.7570985 6 Mg 1.7643636 -0.0101892 -0.0901083 -0.0303186 1.7561370 -0.1122720 0.0797371 0.1244930 1.7570985 7 Mg 1.7643636 -0.0101892 0.0901083 -0.0303186 1.7561370 0.1122720 -0.0797371 -0.1244930 1.7570985 8 Mg 1.7643636 0.0101892 0.0901083 0.0303186 1.7561370 -0.1122720 -0.0797371 0.1244930 1.7570985 9 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 10 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 11 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 12 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 13 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 14 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 15 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 16 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 17 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 18 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 19 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 20 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 ---------------------------------------------------------------------------- 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: 0.841 Solver_block: 200 / 320 - Time: 0.780 Solver_block: 300 / 320 - Time: 0.807 Solver_block: 320 / 320 - Time: 0.221 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.768 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:33:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:51]------------------------- 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 5.410372840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.329264890000000 Atomic positions (fractional): 1 Na 0.03146439896667 0.75000000000000 0.00562778716870 22.990 2 Na 0.53146439896667 0.75000000000000 0.49437221283130 22.990 3 Na 0.46853560103333 0.25000000000000 0.50562778716870 22.990 4 Na 0.96853560103333 0.25000000000000 0.99437221283130 22.990 5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 9 H 0.79451386603375 0.54290578459641 0.20409895442907 1.008 10 H 0.29451386603375 0.95709421540359 0.29590104557093 1.008 11 H 0.20548613396625 0.45709421540359 0.79590104557093 1.008 12 H 0.97361887898137 0.75000000000000 0.58217976459356 1.008 13 H 0.47361887898137 0.75000000000000 0.91782023540644 1.008 14 H 0.29451386603375 0.54290578459641 0.29590104557093 1.008 15 H 0.70548613396625 0.04290578459641 0.70409895442907 1.008 16 H 0.70548613396625 0.45709421540359 0.70409895442907 1.008 17 H 0.02638112101863 0.25000000000000 0.41782023540644 1.008 18 H 0.20548613396625 0.04290578459641 0.79590104557093 1.008 19 H 0.52638112101863 0.25000000000000 0.08217976459356 1.008 20 H 0.79451386603375 0.95709421540359 0.20409895442907 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.820745680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.658529780000000 Atomic positions (fractional): 1 Na 0.01573219948334 0.75000000000000 0.00281389358435 22.990 > 1 2 Na 0.51573219948334 0.75000000000000 0.00281389358435 22.990 > 1 3 Na 0.01573219948334 0.75000000000000 0.50281389358435 22.990 > 1 4 Na 0.51573219948334 0.75000000000000 0.50281389358435 22.990 > 1 5 Na 0.26573219948334 0.75000000000000 0.24718610641565 22.990 > 5 6 Na 0.76573219948334 0.75000000000000 0.24718610641565 22.990 > 5 7 Na 0.26573219948334 0.75000000000000 0.74718610641565 22.990 > 5 8 Na 0.76573219948334 0.75000000000000 0.74718610641565 22.990 > 5 9 Na 0.23426780051666 0.25000000000000 0.25281389358435 22.990 > 9 10 Na 0.73426780051666 0.25000000000000 0.25281389358435 22.990 > 9 11 Na 0.23426780051666 0.25000000000000 0.75281389358435 22.990 > 9 12 Na 0.73426780051666 0.25000000000000 0.75281389358435 22.990 > 9 13 Na 0.48426780051666 0.25000000000000 0.49718610641565 22.990 > 13 14 Na 0.98426780051666 0.25000000000000 0.49718610641565 22.990 > 13 15 Na 0.48426780051666 0.25000000000000 0.99718610641565 22.990 > 13 16 Na 0.98426780051666 0.25000000000000 0.99718610641565 22.990 > 13 17 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 17 19 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 17 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 17 21 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 21 22 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 21 23 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 21 24 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 21 25 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 25 28 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 29 30 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 29 31 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 29 32 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 29 33 H 0.39725693301688 0.54290578459641 0.10204947721453 1.008 > 33 34 H 0.89725693301688 0.54290578459641 0.10204947721453 1.008 > 33 35 H 0.39725693301688 0.54290578459641 0.60204947721453 1.008 > 33 36 H 0.89725693301688 0.54290578459641 0.60204947721453 1.008 > 33 37 H 0.14725693301688 0.95709421540359 0.14795052278547 1.008 > 37 38 H 0.64725693301688 0.95709421540359 0.14795052278547 1.008 > 37 39 H 0.14725693301688 0.95709421540359 0.64795052278547 1.008 > 37 40 H 0.64725693301688 0.95709421540359 0.64795052278547 1.008 > 37 41 H 0.10274306698312 0.45709421540359 0.39795052278547 1.008 > 41 42 H 0.60274306698312 0.45709421540359 0.39795052278547 1.008 > 41 43 H 0.10274306698312 0.45709421540359 0.89795052278547 1.008 > 41 44 H 0.60274306698312 0.45709421540359 0.89795052278547 1.008 > 41 45 H 0.48680943949068 0.75000000000000 0.29108988229678 1.008 > 45 46 H 0.98680943949068 0.75000000000000 0.29108988229678 1.008 > 45 47 H 0.48680943949068 0.75000000000000 0.79108988229678 1.008 > 45 48 H 0.98680943949068 0.75000000000000 0.79108988229678 1.008 > 45 49 H 0.23680943949068 0.75000000000000 0.45891011770322 1.008 > 49 50 H 0.73680943949068 0.75000000000000 0.45891011770322 1.008 > 49 51 H 0.23680943949068 0.75000000000000 0.95891011770322 1.008 > 49 52 H 0.73680943949068 0.75000000000000 0.95891011770322 1.008 > 49 53 H 0.14725693301688 0.54290578459641 0.14795052278547 1.008 > 53 54 H 0.64725693301688 0.54290578459641 0.14795052278547 1.008 > 53 55 H 0.14725693301688 0.54290578459641 0.64795052278547 1.008 > 53 56 H 0.64725693301688 0.54290578459641 0.64795052278547 1.008 > 53 57 H 0.35274306698312 0.04290578459641 0.35204947721453 1.008 > 57 58 H 0.85274306698312 0.04290578459641 0.35204947721453 1.008 > 57 59 H 0.35274306698312 0.04290578459641 0.85204947721453 1.008 > 57 60 H 0.85274306698312 0.04290578459641 0.85204947721453 1.008 > 57 61 H 0.35274306698312 0.45709421540359 0.35204947721453 1.008 > 61 62 H 0.85274306698312 0.45709421540359 0.35204947721453 1.008 > 61 63 H 0.35274306698312 0.45709421540359 0.85204947721453 1.008 > 61 64 H 0.85274306698312 0.45709421540359 0.85204947721453 1.008 > 61 65 H 0.01319056050932 0.25000000000000 0.20891011770322 1.008 > 65 66 H 0.51319056050932 0.25000000000000 0.20891011770322 1.008 > 65 67 H 0.01319056050932 0.25000000000000 0.70891011770322 1.008 > 65 68 H 0.51319056050932 0.25000000000000 0.70891011770322 1.008 > 65 69 H 0.10274306698312 0.04290578459641 0.39795052278547 1.008 > 69 70 H 0.60274306698312 0.04290578459641 0.39795052278547 1.008 > 69 71 H 0.10274306698312 0.04290578459641 0.89795052278547 1.008 > 69 72 H 0.60274306698312 0.04290578459641 0.89795052278547 1.008 > 69 73 H 0.26319056050932 0.25000000000000 0.04108988229678 1.008 > 73 74 H 0.76319056050932 0.25000000000000 0.04108988229678 1.008 > 73 75 H 0.26319056050932 0.25000000000000 0.54108988229678 1.008 > 73 76 H 0.76319056050932 0.25000000000000 0.54108988229678 1.008 > 73 77 H 0.39725693301688 0.95709421540359 0.10204947721453 1.008 > 77 78 H 0.89725693301688 0.95709421540359 0.10204947721453 1.008 > 77 79 H 0.39725693301688 0.95709421540359 0.60204947721453 1.008 > 77 80 H 0.89725693301688 0.95709421540359 0.60204947721453 1.008 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8060521 0.0000000 0.0000000 0.0000000 3.7994800 0.0000000 0.0000000 0.0000000 3.7872331 -------------------------- Born effective charges -------------------------- 1 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 2 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 3 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 4 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 5 Mg 1.7643636 0.0101892 -0.0901083 0.0303186 1.7561370 0.1122720 0.0797371 -0.1244930 1.7570985 6 Mg 1.7643636 -0.0101892 -0.0901083 -0.0303186 1.7561370 -0.1122720 0.0797371 0.1244930 1.7570985 7 Mg 1.7643636 -0.0101892 0.0901083 -0.0303186 1.7561370 0.1122720 -0.0797371 -0.1244930 1.7570985 8 Mg 1.7643636 0.0101892 0.0901083 0.0303186 1.7561370 -0.1122720 -0.0797371 0.1244930 1.7570985 9 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 10 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 11 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 12 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 13 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 14 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 15 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 16 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 17 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 18 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 19 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 20 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 45, 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: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:34:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:03]------------------------- 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 5.410372840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.329264890000000 Atomic positions (fractional): 1 Na 0.03146439896667 0.75000000000000 0.00562778716870 22.990 2 Na 0.53146439896667 0.75000000000000 0.49437221283130 22.990 3 Na 0.46853560103333 0.25000000000000 0.50562778716870 22.990 4 Na 0.96853560103333 0.25000000000000 0.99437221283130 22.990 5 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 9 H 0.79451386603375 0.54290578459641 0.20409895442907 1.008 10 H 0.29451386603375 0.95709421540359 0.29590104557093 1.008 11 H 0.20548613396625 0.45709421540359 0.79590104557093 1.008 12 H 0.97361887898137 0.75000000000000 0.58217976459356 1.008 13 H 0.47361887898137 0.75000000000000 0.91782023540644 1.008 14 H 0.29451386603375 0.54290578459641 0.29590104557093 1.008 15 H 0.70548613396625 0.04290578459641 0.70409895442907 1.008 16 H 0.70548613396625 0.45709421540359 0.70409895442907 1.008 17 H 0.02638112101863 0.25000000000000 0.41782023540644 1.008 18 H 0.20548613396625 0.04290578459641 0.79590104557093 1.008 19 H 0.52638112101863 0.25000000000000 0.08217976459356 1.008 20 H 0.79451386603375 0.95709421540359 0.20409895442907 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.820745680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604954510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.658529780000000 Atomic positions (fractional): 1 Na 0.01573219948334 0.75000000000000 0.00281389358435 22.990 > 1 2 Na 0.51573219948334 0.75000000000000 0.00281389358435 22.990 > 1 3 Na 0.01573219948334 0.75000000000000 0.50281389358435 22.990 > 1 4 Na 0.51573219948334 0.75000000000000 0.50281389358435 22.990 > 1 5 Na 0.26573219948334 0.75000000000000 0.24718610641565 22.990 > 5 6 Na 0.76573219948334 0.75000000000000 0.24718610641565 22.990 > 5 7 Na 0.26573219948334 0.75000000000000 0.74718610641565 22.990 > 5 8 Na 0.76573219948334 0.75000000000000 0.74718610641565 22.990 > 5 9 Na 0.23426780051666 0.25000000000000 0.25281389358435 22.990 > 9 10 Na 0.73426780051666 0.25000000000000 0.25281389358435 22.990 > 9 11 Na 0.23426780051666 0.25000000000000 0.75281389358435 22.990 > 9 12 Na 0.73426780051666 0.25000000000000 0.75281389358435 22.990 > 9 13 Na 0.48426780051666 0.25000000000000 0.49718610641565 22.990 > 13 14 Na 0.98426780051666 0.25000000000000 0.49718610641565 22.990 > 13 15 Na 0.48426780051666 0.25000000000000 0.99718610641565 22.990 > 13 16 Na 0.98426780051666 0.25000000000000 0.99718610641565 22.990 > 13 17 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 17 19 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 17 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 17 21 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 21 22 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 21 23 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 21 24 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 21 25 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 25 28 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 29 30 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 29 31 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 29 32 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 29 33 H 0.39725693301688 0.54290578459641 0.10204947721453 1.008 > 33 34 H 0.89725693301688 0.54290578459641 0.10204947721453 1.008 > 33 35 H 0.39725693301688 0.54290578459641 0.60204947721453 1.008 > 33 36 H 0.89725693301688 0.54290578459641 0.60204947721453 1.008 > 33 37 H 0.14725693301688 0.95709421540359 0.14795052278547 1.008 > 37 38 H 0.64725693301688 0.95709421540359 0.14795052278547 1.008 > 37 39 H 0.14725693301688 0.95709421540359 0.64795052278547 1.008 > 37 40 H 0.64725693301688 0.95709421540359 0.64795052278547 1.008 > 37 41 H 0.10274306698312 0.45709421540359 0.39795052278547 1.008 > 41 42 H 0.60274306698312 0.45709421540359 0.39795052278547 1.008 > 41 43 H 0.10274306698312 0.45709421540359 0.89795052278547 1.008 > 41 44 H 0.60274306698312 0.45709421540359 0.89795052278547 1.008 > 41 45 H 0.48680943949068 0.75000000000000 0.29108988229678 1.008 > 45 46 H 0.98680943949068 0.75000000000000 0.29108988229678 1.008 > 45 47 H 0.48680943949068 0.75000000000000 0.79108988229678 1.008 > 45 48 H 0.98680943949068 0.75000000000000 0.79108988229678 1.008 > 45 49 H 0.23680943949068 0.75000000000000 0.45891011770322 1.008 > 49 50 H 0.73680943949068 0.75000000000000 0.45891011770322 1.008 > 49 51 H 0.23680943949068 0.75000000000000 0.95891011770322 1.008 > 49 52 H 0.73680943949068 0.75000000000000 0.95891011770322 1.008 > 49 53 H 0.14725693301688 0.54290578459641 0.14795052278547 1.008 > 53 54 H 0.64725693301688 0.54290578459641 0.14795052278547 1.008 > 53 55 H 0.14725693301688 0.54290578459641 0.64795052278547 1.008 > 53 56 H 0.64725693301688 0.54290578459641 0.64795052278547 1.008 > 53 57 H 0.35274306698312 0.04290578459641 0.35204947721453 1.008 > 57 58 H 0.85274306698312 0.04290578459641 0.35204947721453 1.008 > 57 59 H 0.35274306698312 0.04290578459641 0.85204947721453 1.008 > 57 60 H 0.85274306698312 0.04290578459641 0.85204947721453 1.008 > 57 61 H 0.35274306698312 0.45709421540359 0.35204947721453 1.008 > 61 62 H 0.85274306698312 0.45709421540359 0.35204947721453 1.008 > 61 63 H 0.35274306698312 0.45709421540359 0.85204947721453 1.008 > 61 64 H 0.85274306698312 0.45709421540359 0.85204947721453 1.008 > 61 65 H 0.01319056050932 0.25000000000000 0.20891011770322 1.008 > 65 66 H 0.51319056050932 0.25000000000000 0.20891011770322 1.008 > 65 67 H 0.01319056050932 0.25000000000000 0.70891011770322 1.008 > 65 68 H 0.51319056050932 0.25000000000000 0.70891011770322 1.008 > 65 69 H 0.10274306698312 0.04290578459641 0.39795052278547 1.008 > 69 70 H 0.60274306698312 0.04290578459641 0.39795052278547 1.008 > 69 71 H 0.10274306698312 0.04290578459641 0.89795052278547 1.008 > 69 72 H 0.60274306698312 0.04290578459641 0.89795052278547 1.008 > 69 73 H 0.26319056050932 0.25000000000000 0.04108988229678 1.008 > 73 74 H 0.76319056050932 0.25000000000000 0.04108988229678 1.008 > 73 75 H 0.26319056050932 0.25000000000000 0.54108988229678 1.008 > 73 76 H 0.76319056050932 0.25000000000000 0.54108988229678 1.008 > 73 77 H 0.39725693301688 0.95709421540359 0.10204947721453 1.008 > 77 78 H 0.89725693301688 0.95709421540359 0.10204947721453 1.008 > 77 79 H 0.39725693301688 0.95709421540359 0.60204947721453 1.008 > 77 80 H 0.89725693301688 0.95709421540359 0.60204947721453 1.008 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8060521 0.0000000 0.0000000 0.0000000 3.7994800 0.0000000 0.0000000 0.0000000 3.7872331 -------------------------- Born effective charges -------------------------- 1 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 2 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 3 Na 1.0564604 0.0000000 0.0049537 0.0000000 1.0658597 0.0000000 -0.0066426 0.0000000 1.0438790 4 Na 1.0564604 0.0000000 -0.0049537 0.0000000 1.0658597 0.0000000 0.0066426 0.0000000 1.0438790 5 Mg 1.7643636 0.0101892 -0.0901083 0.0303186 1.7561370 0.1122720 0.0797371 -0.1244930 1.7570985 6 Mg 1.7643636 -0.0101892 -0.0901083 -0.0303186 1.7561370 -0.1122720 0.0797371 0.1244930 1.7570985 7 Mg 1.7643636 -0.0101892 0.0901083 -0.0303186 1.7561370 0.1122720 -0.0797371 -0.1244930 1.7570985 8 Mg 1.7643636 0.0101892 0.0901083 0.0303186 1.7561370 -0.1122720 -0.0797371 0.1244930 1.7570985 9 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 10 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 11 H -1.0135170 0.0039457 -0.1997228 -0.0031977 -0.8067805 -0.0161277 -0.1954040 -0.0121128 -0.9959854 12 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 13 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 14 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 15 H -1.0135170 -0.0039457 0.1997228 0.0031977 -0.8067805 -0.0161277 0.1954040 -0.0121128 -0.9959854 16 H -1.0135170 0.0039457 0.1997228 -0.0031977 -0.8067805 0.0161277 0.1954040 0.0121128 -0.9959854 17 H -0.7937899 0.0000000 -0.0160734 0.0000000 -1.2084358 0.0000000 0.0247944 0.0000000 -0.8090066 18 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 19 H -0.7937899 0.0000000 0.0160734 0.0000000 -1.2084358 0.0000000 -0.0247944 0.0000000 -0.8090066 20 H -1.0135170 -0.0039457 -0.1997228 0.0031977 -0.8067805 0.0161277 -0.1954040 0.0121128 -0.9959854 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 0.69, 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.385 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 14.916 ( 0.000 0.000 0.000) 0.000 16.013 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 16.751 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 19.852 ( 0.000 0.000 0.000) 0.000 20.785 ( 0.000 0.000 0.000) 0.000 20.808 ( 0.000 0.000 0.000) 0.000 21.056 ( 0.000 0.000 0.000) 0.000 21.520 ( 0.000 0.000 0.000) 0.000 21.841 ( 0.000 0.000 0.000) 0.000 22.221 ( 0.000 0.000 0.000) 0.000 23.877 ( 0.000 0.000 0.000) 0.000 24.829 ( 0.000 0.000 0.000) 0.000 24.927 ( 0.000 0.000 0.000) 0.000 26.321 ( 0.000 0.000 0.000) 0.000 26.668 ( 0.000 0.000 0.000) 0.000 27.013 ( 0.000 0.000 0.000) 0.000 27.323 ( 0.000 0.000 0.000) 0.000 33.484 ( 0.000 0.000 0.000) 0.000 33.892 ( 0.000 0.000 0.000) 0.000 33.929 ( 0.000 0.000 0.000) 0.000 37.547 ( 0.000 0.000 0.000) 0.000 37.766 ( 0.000 0.000 0.000) 0.000 37.915 ( 0.000 0.000 0.000) 0.000 38.254 ( 0.000 0.000 0.000) 0.000 38.283 ( 0.000 0.000 0.000) 0.000 38.583 ( 0.000 0.000 0.000) 0.000 40.921 ( 0.000 0.000 0.000) 0.000 42.312 ( 0.000 0.000 0.000) 0.000 43.378 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 38.100 0.000 0.000) 38.100 0.963 ( 45.926 0.000 0.000) 45.926 1.422 ( 66.978 0.000 0.000) 66.978 3.418 ( 3.186 0.000 0.000) 3.186 3.647 ( -3.069 0.000 0.000) 3.069 3.768 ( -1.787 0.000 0.000) 1.787 3.809 ( 1.078 0.000 0.000) 1.078 4.023 ( -2.236 0.000 0.000) 2.236 4.342 ( -7.348 0.000 0.000) 7.348 4.663 ( -24.804 0.000 0.000) 24.804 4.731 ( 0.679 0.000 0.000) 0.679 4.867 ( -4.046 0.000 0.000) 4.046 5.149 ( 4.487 0.000 0.000) 4.487 5.333 ( 7.978 0.000 0.000) 7.978 5.766 ( 25.425 0.000 0.000) 25.425 5.800 ( -7.325 0.000 0.000) 7.325 5.992 ( 7.988 0.000 0.000) 7.988 6.037 ( -2.468 0.000 0.000) 2.468 7.429 ( 5.266 0.000 0.000) 5.266 8.139 ( -11.025 0.000 0.000) 11.025 8.540 ( -12.744 0.000 0.000) 12.744 8.829 ( -12.166 0.000 0.000) 12.166 8.839 ( -5.308 0.000 0.000) 5.308 8.870 ( -13.671 0.000 0.000) 13.671 10.889 ( 31.741 0.000 0.000) 31.741 11.768 ( 30.672 0.000 0.000) 30.672 11.884 ( 24.993 0.000 0.000) 24.993 15.229 ( 28.149 0.000 0.000) 28.149 15.951 ( -6.119 0.000 0.000) 6.119 16.209 ( -1.146 0.000 0.000) 1.146 16.626 ( -12.274 0.000 0.000) 12.274 17.856 ( 4.611 0.000 0.000) 4.611 18.142 ( -3.560 0.000 0.000) 3.560 19.894 ( 4.607 0.000 0.000) 4.607 20.793 ( -1.741 0.000 0.000) 1.741 20.815 ( 2.963 0.000 0.000) 2.963 21.215 ( -21.878 0.000 0.000) 21.878 21.264 ( 20.304 0.000 0.000) 20.304 21.810 ( -2.979 0.000 0.000) 2.979 22.492 ( 18.359 0.000 0.000) 18.359 23.827 ( -3.877 0.000 0.000) 3.877 23.887 ( 1.381 0.000 0.000) 1.381 24.868 ( 3.758 0.000 0.000) 3.758 25.298 ( -9.675 0.000 0.000) 9.675 26.260 ( -6.197 0.000 0.000) 6.197 26.608 ( -5.821 0.000 0.000) 5.821 27.311 ( -1.017 0.000 0.000) 1.017 27.733 ( -2.760 0.000 0.000) 2.760 33.717 ( 22.131 0.000 0.000) 22.131 33.922 ( 3.117 0.000 0.000) 3.117 34.082 ( 14.795 0.000 0.000) 14.795 37.287 ( -23.779 0.000 0.000) 23.779 37.774 ( 0.616 0.000 0.000) 0.616 38.193 ( -8.596 0.000 0.000) 8.596 38.236 ( -1.502 0.000 0.000) 1.502 38.493 ( -8.816 0.000 0.000) 8.816 41.113 ( 17.029 0.000 0.000) 17.029 41.268 ( 2.970 0.000 0.000) 2.970 42.274 ( -3.641 0.000 0.000) 3.641 43.341 ( -3.585 0.000 0.000) 3.585 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 34.500 0.000 0.000) 34.500 1.867 ( 41.657 0.000 0.000) 41.657 2.663 ( 49.479 0.000 0.000) 49.479 3.510 ( 5.384 0.000 0.000) 5.384 3.571 ( -4.749 0.000 0.000) 4.749 3.766 ( 5.506 0.000 0.000) 5.506 3.824 ( -0.303 0.000 0.000) 0.303 3.951 ( -4.503 0.000 0.000) 4.503 4.139 ( -11.613 0.000 0.000) 11.613 4.147 ( -23.643 0.000 0.000) 23.643 4.745 ( 0.534 0.000 0.000) 0.534 4.775 ( -4.117 0.000 0.000) 4.117 5.253 ( 4.312 0.000 0.000) 4.312 5.531 ( 8.771 0.000 0.000) 8.771 5.606 ( -10.324 0.000 0.000) 10.324 6.002 ( 1.434 0.000 0.000) 1.434 6.231 ( 15.068 0.000 0.000) 15.068 6.330 ( 29.116 0.000 0.000) 29.116 7.571 ( 7.960 0.000 0.000) 7.960 7.839 ( -17.843 0.000 0.000) 17.843 8.202 ( -19.389 0.000 0.000) 19.389 8.523 ( -19.396 0.000 0.000) 19.396 8.543 ( -14.529 0.000 0.000) 14.529 8.676 ( -10.496 0.000 0.000) 10.496 11.722 ( 47.062 0.000 0.000) 47.062 12.550 ( 42.978 0.000 0.000) 42.978 12.565 ( 39.209 0.000 0.000) 39.209 15.758 ( -12.790 0.000 0.000) 12.790 15.932 ( 36.847 0.000 0.000) 36.847 16.115 ( -9.446 0.000 0.000) 9.446 16.244 ( -24.788 0.000 0.000) 24.788 18.016 ( 11.682 0.000 0.000) 11.682 18.032 ( -7.201 0.000 0.000) 7.201 20.064 ( 12.226 0.000 0.000) 12.226 20.601 ( -21.761 0.000 0.000) 21.761 20.902 ( -2.877 0.000 0.000) 2.877 20.906 ( 5.804 0.000 0.000) 5.804 21.721 ( -5.609 0.000 0.000) 5.609 21.885 ( 39.637 0.000 0.000) 39.637 22.802 ( 10.121 0.000 0.000) 10.121 23.694 ( -9.284 0.000 0.000) 9.284 23.965 ( 6.925 0.000 0.000) 6.925 24.985 ( 7.713 0.000 0.000) 7.713 25.049 ( -13.393 0.000 0.000) 13.393 26.046 ( -15.247 0.000 0.000) 15.247 26.433 ( -11.030 0.000 0.000) 11.030 27.289 ( -0.868 0.000 0.000) 0.868 27.653 ( -4.963 0.000 0.000) 4.963 34.031 ( 7.920 0.000 0.000) 7.920 34.349 ( 38.060 0.000 0.000) 38.060 34.521 ( 27.406 0.000 0.000) 27.406 36.662 ( -34.893 0.000 0.000) 34.893 37.744 ( -7.623 0.000 0.000) 7.623 37.974 ( -8.691 0.000 0.000) 8.691 38.197 ( -2.237 0.000 0.000) 2.237 38.214 ( -18.510 0.000 0.000) 18.510 41.356 ( 5.526 0.000 0.000) 5.526 41.539 ( 22.856 0.000 0.000) 22.856 42.167 ( -6.538 0.000 0.000) 6.538 43.230 ( -7.236 0.000 0.000) 7.236 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 29.144 0.000 0.000) 29.144 2.654 ( 34.491 0.000 0.000) 34.491 3.236 ( 9.887 0.000 0.000) 9.887 3.417 ( -10.325 0.000 0.000) 10.325 3.590 ( -0.032 0.000 0.000) 0.032 3.744 ( -14.639 0.000 0.000) 14.639 3.754 ( -7.430 0.000 0.000) 7.430 3.896 ( 2.057 0.000 0.000) 2.057 3.912 ( -9.388 0.000 0.000) 9.388 4.145 ( 22.693 0.000 0.000) 22.693 4.718 ( -1.275 0.000 0.000) 1.275 4.756 ( 0.632 0.000 0.000) 0.632 5.318 ( 2.283 0.000 0.000) 2.283 5.492 ( 4.867 0.000 0.000) 4.867 5.572 ( -4.144 0.000 0.000) 4.144 6.214 ( 18.600 0.000 0.000) 18.600 6.600 ( 20.528 0.000 0.000) 20.528 6.924 ( 27.226 0.000 0.000) 27.226 7.390 ( -26.580 0.000 0.000) 26.580 7.729 ( 6.223 0.000 0.000) 6.223 7.771 ( -21.534 0.000 0.000) 21.534 8.096 ( -21.059 0.000 0.000) 21.059 8.272 ( -11.293 0.000 0.000) 11.293 8.408 ( -15.582 0.000 0.000) 15.582 12.745 ( 50.999 0.000 0.000) 50.999 13.416 ( 42.031 0.000 0.000) 42.031 13.459 ( 44.163 0.000 0.000) 44.163 15.419 ( -20.379 0.000 0.000) 20.379 15.622 ( -35.213 0.000 0.000) 35.213 15.784 ( -22.848 0.000 0.000) 22.848 16.640 ( 30.806 0.000 0.000) 30.806 17.845 ( -11.107 0.000 0.000) 11.107 18.356 ( 21.326 0.000 0.000) 21.326 20.067 ( -28.202 0.000 0.000) 28.202 20.379 ( 17.376 0.000 0.000) 17.376 20.924 ( 2.136 0.000 0.000) 2.136 21.049 ( 7.955 0.000 0.000) 7.955 21.584 ( -7.662 0.000 0.000) 7.662 22.843 ( 51.764 0.000 0.000) 51.764 22.909 ( 1.912 0.000 0.000) 1.912 23.447 ( -14.235 0.000 0.000) 14.235 24.161 ( 11.101 0.000 0.000) 11.101 24.788 ( -11.447 0.000 0.000) 11.447 25.190 ( 12.327 0.000 0.000) 12.327 25.608 ( -27.865 0.000 0.000) 27.865 26.163 ( -14.980 0.000 0.000) 14.980 27.286 ( 0.806 0.000 0.000) 0.806 27.538 ( -5.969 0.000 0.000) 5.969 34.264 ( 15.030 0.000 0.000) 15.030 35.177 ( 35.440 0.000 0.000) 35.440 35.221 ( 45.481 0.000 0.000) 45.481 35.924 ( -35.647 0.000 0.000) 35.647 37.354 ( -26.894 0.000 0.000) 26.894 37.727 ( -28.961 0.000 0.000) 28.961 37.943 ( 2.275 0.000 0.000) 2.275 38.144 ( -2.940 0.000 0.000) 2.940 41.491 ( 7.406 0.000 0.000) 7.406 42.007 ( 22.026 0.000 0.000) 22.026 42.013 ( -8.273 0.000 0.000) 8.273 43.043 ( -11.031 0.000 0.000) 11.031 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 22.782 0.000 0.000) 22.782 3.140 ( -16.268 0.000 0.000) 16.268 3.258 ( 23.449 0.000 0.000) 23.449 3.369 ( 5.483 0.000 0.000) 5.483 3.498 ( -6.686 0.000 0.000) 6.686 3.567 ( -9.269 0.000 0.000) 9.269 3.573 ( -1.455 0.000 0.000) 1.455 3.711 ( -11.513 0.000 0.000) 11.513 4.062 ( 11.750 0.000 0.000) 11.750 4.284 ( -6.839 0.000 0.000) 6.839 4.717 ( 0.954 0.000 0.000) 0.954 4.747 ( -1.581 0.000 0.000) 1.581 5.367 ( 3.056 0.000 0.000) 3.056 5.457 ( -5.636 0.000 0.000) 5.636 5.966 ( 36.385 0.000 0.000) 36.385 6.672 ( 24.368 0.000 0.000) 24.368 6.741 ( -36.064 0.000 0.000) 36.064 7.059 ( 23.678 0.000 0.000) 23.678 7.147 ( -17.396 0.000 0.000) 17.396 7.550 ( -22.887 0.000 0.000) 22.887 7.608 ( 17.511 0.000 0.000) 17.511 7.941 ( 5.589 0.000 0.000) 5.589 8.038 ( -20.310 0.000 0.000) 20.310 8.081 ( -7.690 0.000 0.000) 7.690 13.767 ( 47.258 0.000 0.000) 47.258 14.237 ( 37.020 0.000 0.000) 37.020 14.276 ( 26.733 0.000 0.000) 26.733 14.872 ( -29.250 0.000 0.000) 29.250 14.915 ( -28.814 0.000 0.000) 28.814 15.204 ( -32.357 0.000 0.000) 32.357 17.183 ( 22.293 0.000 0.000) 22.293 17.570 ( -15.823 0.000 0.000) 15.823 18.870 ( 27.898 0.000 0.000) 27.898 19.468 ( -29.691 0.000 0.000) 29.691 20.720 ( 14.278 0.000 0.000) 14.278 20.916 ( -4.359 0.000 0.000) 4.359 21.226 ( 9.054 0.000 0.000) 9.054 21.412 ( -8.910 0.000 0.000) 8.910 22.964 ( 5.180 0.000 0.000) 5.180 23.154 ( -12.926 0.000 0.000) 12.926 23.924 ( 51.556 0.000 0.000) 51.556 24.383 ( 10.045 0.000 0.000) 10.045 24.578 ( -9.403 0.000 0.000) 9.403 24.893 ( -41.631 0.000 0.000) 41.631 25.486 ( 16.134 0.000 0.000) 16.134 25.831 ( -16.977 0.000 0.000) 16.977 27.328 ( 3.296 0.000 0.000) 3.296 27.419 ( -5.342 0.000 0.000) 5.342 34.658 ( 23.451 0.000 0.000) 23.451 35.221 ( -30.918 0.000 0.000) 30.918 35.953 ( 37.930 0.000 0.000) 37.930 36.163 ( 45.016 0.000 0.000) 45.016 36.711 ( -34.928 0.000 0.000) 34.928 37.030 ( -38.636 0.000 0.000) 38.636 38.006 ( 3.478 0.000 0.000) 3.478 38.078 ( -3.444 0.000 0.000) 3.444 41.655 ( 8.528 0.000 0.000) 8.528 41.835 ( -8.863 0.000 0.000) 8.863 42.428 ( 18.838 0.000 0.000) 18.838 42.776 ( -14.970 0.000 0.000) 14.970 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 45.576 0.000) 45.576 0.880 ( 0.000 45.921 0.000) 45.921 1.258 ( 0.000 66.058 0.000) 66.058 3.446 ( 0.000 6.291 0.000) 6.291 3.609 ( 0.000 -7.810 0.000) 7.810 3.661 ( 0.000 2.964 0.000) 2.964 3.768 ( 0.000 -4.431 0.000) 4.431 3.990 ( 0.000 -4.368 0.000) 4.368 4.394 ( 0.000 -2.695 0.000) 2.695 4.617 ( 0.000 -10.355 0.000) 10.355 4.747 ( 0.000 -13.485 0.000) 13.485 5.152 ( 0.000 3.112 0.000) 3.112 5.174 ( 0.000 -8.043 0.000) 8.043 5.383 ( 0.000 10.412 0.000) 10.412 5.498 ( 0.000 -2.041 0.000) 2.041 5.811 ( 0.000 2.780 0.000) 2.780 5.900 ( 0.000 -1.006 0.000) 1.006 6.213 ( 0.000 15.335 0.000) 15.335 7.131 ( 0.000 -14.316 0.000) 14.316 8.223 ( 0.000 -4.273 0.000) 4.273 8.811 ( 0.000 0.201 0.000) 0.201 8.819 ( 0.000 -6.632 0.000) 6.632 8.894 ( 0.000 -7.882 0.000) 7.882 8.975 ( 0.000 -1.197 0.000) 1.197 10.640 ( 0.000 10.411 0.000) 10.411 11.588 ( 0.000 -2.809 0.000) 2.809 11.773 ( 0.000 35.497 0.000) 35.497 16.062 ( 0.000 5.072 0.000) 5.072 16.282 ( 0.000 7.023 0.000) 7.023 16.705 ( 0.000 -5.409 0.000) 5.409 16.759 ( 0.000 2.027 0.000) 2.027 17.631 ( 0.000 2.563 0.000) 2.563 17.716 ( 0.000 -44.215 0.000) 44.215 17.971 ( 0.000 -0.755 0.000) 0.755 19.830 ( 0.000 -2.026 0.000) 2.026 20.653 ( 0.000 -13.268 0.000) 13.268 20.940 ( 0.000 10.549 0.000) 10.549 21.472 ( 0.000 -4.119 0.000) 4.119 21.939 ( 0.000 9.262 0.000) 9.262 22.357 ( 0.000 13.099 0.000) 13.099 23.849 ( 0.000 -2.308 0.000) 2.308 24.772 ( 0.000 -6.033 0.000) 6.033 25.045 ( 0.000 11.958 0.000) 11.958 26.370 ( 0.000 5.171 0.000) 5.171 26.558 ( 0.000 -8.964 0.000) 8.964 26.797 ( 0.000 3.457 0.000) 3.457 27.004 ( 0.000 -0.980 0.000) 0.980 27.274 ( 0.000 -5.168 0.000) 5.168 33.505 ( 0.000 2.283 0.000) 2.283 33.906 ( 0.000 -2.327 0.000) 2.327 34.051 ( 0.000 16.797 0.000) 16.797 37.517 ( 0.000 -25.694 0.000) 25.694 37.606 ( 0.000 1.774 0.000) 1.774 37.900 ( 0.000 -1.617 0.000) 1.617 38.285 ( 0.000 0.714 0.000) 0.714 38.564 ( 0.000 -1.891 0.000) 1.891 40.944 ( 0.000 2.407 0.000) 2.407 41.350 ( 0.000 -2.267 0.000) 2.267 42.437 ( 0.000 12.275 0.000) 12.275 43.364 ( 0.000 -1.561 0.000) 1.561 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 28.576 22.371 0.000) 36.291 1.169 ( 24.837 32.586 0.000) 40.973 2.027 ( 51.828 46.923 0.000) 69.914 3.455 ( 1.088 3.809 0.000) 3.962 3.562 ( -3.384 -7.704 0.000) 8.414 3.724 ( 1.709 -1.577 0.000) 2.326 3.789 ( 1.613 -3.660 0.000) 3.999 3.970 ( -2.205 -4.077 0.000) 4.635 4.318 ( -6.910 -2.534 0.000) 7.360 4.585 ( -8.248 -8.550 0.000) 11.880 4.720 ( -2.562 -12.572 0.000) 12.831 4.735 ( -13.171 0.812 0.000) 13.196 5.416 ( 0.385 15.629 0.000) 15.634 5.454 ( 6.868 9.987 0.000) 12.121 5.644 ( -7.823 -11.426 0.000) 13.848 5.735 ( 22.535 -2.618 0.000) 22.686 5.977 ( 7.156 -1.133 0.000) 7.245 6.188 ( -1.937 15.184 0.000) 15.307 7.245 ( 7.783 -16.756 0.000) 18.475 8.105 ( -10.679 -4.081 0.000) 11.433 8.587 ( -15.702 3.084 0.000) 16.002 8.699 ( -10.287 -8.033 0.000) 13.052 8.843 ( -12.805 -2.150 0.000) 12.984 8.852 ( -4.795 -3.441 0.000) 5.902 10.985 ( 31.138 9.839 0.000) 32.656 11.903 ( 26.795 -0.431 0.000) 26.798 12.065 ( 26.534 30.743 0.000) 40.610 15.736 ( -8.300 35.802 0.000) 36.751 15.992 ( -6.804 4.159 0.000) 7.975 16.271 ( -1.765 6.318 0.000) 6.560 16.585 ( -11.717 -4.627 0.000) 12.597 17.696 ( -1.996 -42.668 0.000) 42.715 17.899 ( 6.395 4.290 0.000) 7.701 19.669 ( 42.961 -45.790 0.000) 62.788 20.061 ( 42.598 -29.395 0.000) 51.756 20.715 ( 8.543 -12.663 0.000) 15.275 20.919 ( -1.992 9.641 0.000) 9.845 21.223 ( -19.831 0.614 0.000) 19.840 21.899 ( -2.432 9.703 0.000) 10.003 22.603 ( 17.570 10.721 0.000) 20.582 23.845 ( 0.046 -3.767 0.000) 3.767 24.686 ( -27.639 34.999 0.000) 44.596 24.802 ( 2.894 -6.930 0.000) 7.509 25.740 ( -31.695 37.164 0.000) 48.844 26.315 ( -5.629 5.692 0.000) 8.005 26.535 ( -6.272 -7.523 0.000) 9.794 27.261 ( -1.160 -5.312 0.000) 5.438 27.502 ( 7.286 -17.804 0.000) 19.237 33.735 ( 21.767 1.871 0.000) 21.847 34.066 ( 15.182 -1.831 0.000) 15.292 34.080 ( 2.984 16.665 0.000) 16.930 37.319 ( -24.116 3.091 0.000) 24.313 37.530 ( 1.183 -25.515 0.000) 25.542 37.966 ( 1.457 -16.211 0.000) 16.276 38.190 ( -9.219 0.500 0.000) 9.232 38.474 ( -8.848 -1.931 0.000) 9.056 41.134 ( 16.861 2.338 0.000) 17.022 41.402 ( 3.965 6.068 0.000) 7.248 42.401 ( -3.482 12.423 0.000) 12.902 43.328 ( -3.532 -1.507 0.000) 3.840 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 29.145 19.328 0.000) 34.971 1.787 ( 37.917 -0.533 0.000) 37.920 3.046 ( 39.301 31.743 0.000) 50.519 3.498 ( 3.141 -0.995 0.000) 3.295 3.509 ( -0.021 -6.348 0.000) 6.348 3.721 ( 0.550 -2.359 0.000) 2.422 3.813 ( 0.110 -3.163 0.000) 3.165 3.883 ( -6.542 -4.733 0.000) 8.074 4.141 ( -9.466 -0.267 0.000) 9.470 4.225 ( -17.021 6.181 0.000) 18.108 4.657 ( -3.018 -10.961 0.000) 11.369 4.678 ( 0.135 -6.788 0.000) 6.790 5.299 ( -9.298 -0.495 0.000) 9.311 5.600 ( 2.292 4.822 0.000) 5.339 5.644 ( 9.965 10.166 0.000) 14.236 6.096 ( 1.608 7.649 0.000) 7.816 6.254 ( 12.634 4.499 0.000) 13.412 6.274 ( 28.627 -6.184 0.000) 29.287 7.416 ( 8.751 -15.594 0.000) 17.881 7.824 ( -16.267 -2.108 0.000) 16.403 8.223 ( -19.724 2.062 0.000) 19.831 8.437 ( -14.444 -7.995 0.000) 16.509 8.506 ( -19.152 -1.737 0.000) 19.231 8.693 ( -10.592 -1.119 0.000) 10.651 11.806 ( 46.453 8.698 0.000) 47.260 12.598 ( 39.211 2.177 0.000) 39.271 12.762 ( 39.131 22.409 0.000) 45.093 15.783 ( -13.653 2.238 0.000) 13.836 16.010 ( 21.929 7.188 0.000) 23.076 16.172 ( -6.826 5.704 0.000) 8.895 16.221 ( -23.597 -2.473 0.000) 23.727 17.631 ( -4.498 -38.388 0.000) 38.650 18.105 ( 14.231 9.071 0.000) 16.876 20.024 ( 14.145 -5.732 0.000) 15.262 20.692 ( 11.949 -21.498 0.000) 24.596 20.726 ( -23.060 9.429 0.000) 24.913 20.910 ( -3.324 0.953 0.000) 3.458 21.397 ( 51.473 -32.168 0.000) 60.699 21.845 ( -2.961 13.381 0.000) 13.704 22.914 ( 10.663 11.272 0.000) 15.517 23.887 ( 4.931 -7.876 0.000) 9.292 24.193 ( -20.140 35.748 0.000) 41.031 24.892 ( 5.966 -9.541 0.000) 11.253 25.303 ( -15.962 25.197 0.000) 29.828 26.124 ( -13.344 7.868 0.000) 15.491 26.352 ( -11.431 -8.549 0.000) 14.274 27.234 ( -1.231 -5.845 0.000) 5.973 27.518 ( -3.061 -13.209 0.000) 13.559 34.185 ( 7.541 16.144 0.000) 17.819 34.357 ( 37.519 0.859 0.000) 37.529 34.514 ( 27.877 -0.840 0.000) 27.889 36.703 ( -34.013 4.254 0.000) 34.278 37.557 ( 0.787 -23.375 0.000) 23.388 37.913 ( -17.165 -1.685 0.000) 17.248 37.954 ( -2.022 -21.102 0.000) 21.198 38.195 ( -18.534 -2.009 0.000) 18.642 41.494 ( 7.200 10.357 0.000) 12.614 41.564 ( 21.266 3.000 0.000) 21.476 42.299 ( -6.273 12.810 0.000) 14.264 43.219 ( -7.104 -1.317 0.000) 7.225 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 26.229 11.695 0.000) 28.718 2.521 ( 32.487 -8.107 0.000) 33.484 3.348 ( 1.340 2.601 0.000) 2.926 3.461 ( -7.662 4.809 0.000) 9.046 3.551 ( -0.785 -3.576 0.000) 3.661 3.726 ( -7.375 -5.826 0.000) 9.398 3.733 ( -7.309 2.868 0.000) 7.851 3.788 ( -0.887 -5.102 0.000) 5.179 3.960 ( -7.691 2.076 0.000) 7.966 4.238 ( 12.076 7.166 0.000) 14.042 4.616 ( -0.718 -9.869 0.000) 9.895 4.674 ( -0.727 -8.363 0.000) 8.395 5.237 ( 9.573 -1.403 0.000) 9.676 5.679 ( 6.606 14.617 0.000) 16.041 5.735 ( -2.057 15.453 0.000) 15.589 6.263 ( 16.586 4.868 0.000) 17.286 6.604 ( 20.080 0.595 0.000) 20.088 6.867 ( 27.650 -6.178 0.000) 28.332 7.418 ( -24.185 2.565 0.000) 24.321 7.590 ( 7.341 -14.304 0.000) 16.078 7.790 ( -21.409 1.948 0.000) 21.497 8.079 ( -21.622 -1.652 0.000) 21.685 8.146 ( -12.960 -10.293 0.000) 16.550 8.422 ( -15.626 -1.264 0.000) 15.677 12.813 ( 50.136 7.172 0.000) 50.646 13.444 ( 41.586 2.281 0.000) 41.648 13.600 ( 41.014 15.005 0.000) 43.673 15.425 ( -21.658 0.222 0.000) 21.660 15.634 ( -32.667 1.366 0.000) 32.695 15.820 ( -22.135 3.735 0.000) 22.448 16.558 ( 24.012 -7.665 0.000) 25.206 17.505 ( -7.907 -32.498 0.000) 33.446 18.490 ( 22.931 13.170 0.000) 26.444 20.197 ( -27.424 10.954 0.000) 29.531 20.334 ( 14.867 -6.681 0.000) 16.299 20.864 ( -2.656 -5.400 0.000) 6.018 20.956 ( 15.222 -6.482 0.000) 16.545 21.769 ( -4.947 18.394 0.000) 19.048 22.469 ( 51.011 -27.562 0.000) 57.981 23.032 ( 2.600 12.740 0.000) 13.002 23.815 ( -16.684 27.718 0.000) 32.352 24.034 ( 7.612 -12.806 0.000) 14.898 25.037 ( -9.713 23.994 0.000) 25.886 25.048 ( 8.801 -13.078 0.000) 15.764 25.764 ( -20.927 13.913 0.000) 25.130 26.076 ( -15.172 -9.193 0.000) 17.740 27.221 ( 0.185 -6.919 0.000) 6.921 27.427 ( -5.191 -11.462 0.000) 12.582 34.405 ( 14.265 14.942 0.000) 20.658 35.179 ( 36.024 0.202 0.000) 36.024 35.219 ( 44.927 -0.277 0.000) 44.928 35.988 ( -34.376 6.769 0.000) 35.036 37.360 ( -24.886 -0.301 0.000) 24.887 37.685 ( -2.935 -22.377 0.000) 22.568 37.711 ( -25.723 -4.319 0.000) 26.083 37.897 ( -3.331 -23.389 0.000) 23.625 41.636 ( 7.508 13.017 0.000) 15.028 42.021 ( 21.641 1.442 0.000) 21.689 42.151 ( -7.991 13.275 0.000) 15.495 43.035 ( -10.793 -0.924 0.000) 10.833 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 20.913 6.831 0.000) 22.000 3.085 ( 21.688 -9.866 0.000) 23.826 3.176 ( -15.100 3.702 0.000) 15.547 3.410 ( -10.929 -6.376 0.000) 12.653 3.445 ( 4.570 -0.893 0.000) 4.656 3.571 ( -7.610 -1.628 0.000) 7.782 3.638 ( 0.380 7.806 0.000) 7.816 3.747 ( -7.469 2.643 0.000) 7.923 3.953 ( 9.909 -9.364 0.000) 13.634 4.198 ( -11.247 -8.785 0.000) 14.271 4.622 ( 1.060 -9.084 0.000) 9.146 4.650 ( -1.432 -8.708 0.000) 8.825 5.524 ( 8.600 15.418 0.000) 17.655 5.646 ( -5.158 17.858 0.000) 18.588 6.068 ( 33.112 10.206 0.000) 34.649 6.664 ( 11.255 0.646 0.000) 11.274 6.845 ( -21.823 9.039 0.000) 23.620 7.054 ( 23.255 -0.452 0.000) 23.259 7.159 ( -13.780 0.860 0.000) 13.806 7.516 ( -12.525 -3.930 0.000) 13.127 7.571 ( 5.641 -3.577 0.000) 6.680 7.838 ( 5.551 -10.258 0.000) 11.663 7.900 ( -12.781 -11.487 0.000) 17.185 8.073 ( -16.674 -3.794 0.000) 17.101 13.815 ( 46.107 4.938 0.000) 46.371 14.252 ( 36.039 1.277 0.000) 36.062 14.347 ( 21.955 7.349 0.000) 23.153 14.849 ( -29.750 -0.697 0.000) 29.758 15.001 ( -24.240 7.246 0.000) 25.300 15.267 ( -30.217 6.752 0.000) 30.962 16.990 ( 17.917 -18.319 0.000) 25.625 17.299 ( -12.355 -25.926 0.000) 28.719 19.021 ( 28.010 14.039 0.000) 31.331 19.613 ( -29.095 12.875 0.000) 31.817 20.600 ( 10.766 -12.149 0.000) 16.233 20.775 ( -6.321 -11.809 0.000) 13.394 21.304 ( 17.333 8.741 0.000) 19.412 21.609 ( -11.394 17.898 0.000) 21.218 23.110 ( 6.404 14.795 0.000) 16.122 23.226 ( 6.436 -0.552 0.000) 6.460 23.697 ( 18.860 -7.681 0.000) 20.364 24.083 ( -6.728 -23.373 0.000) 24.323 24.927 ( 0.269 26.943 0.000) 26.944 25.097 ( -11.378 8.206 0.000) 14.028 25.482 ( 4.300 4.857 0.000) 6.487 25.748 ( -16.134 -8.313 0.000) 18.150 27.248 ( 2.528 -8.456 0.000) 8.826 27.323 ( -4.606 -10.068 0.000) 11.072 34.780 ( 22.270 12.846 0.000) 25.710 35.315 ( -29.476 9.986 0.000) 31.121 35.962 ( 38.259 0.958 0.000) 38.271 36.151 ( 44.658 -1.226 0.000) 44.675 36.726 ( -35.042 1.471 0.000) 35.073 37.012 ( -38.453 -1.801 0.000) 38.495 37.743 ( 3.656 -26.138 0.000) 26.393 37.822 ( -3.868 -25.065 0.000) 25.362 41.801 ( 8.446 13.616 0.000) 16.023 41.978 ( -8.651 13.613 0.000) 16.129 42.435 ( 18.434 0.551 0.000) 18.443 42.774 ( -14.624 -0.287 0.000) 14.627 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 42.378 0.000) 42.378 1.708 ( 0.000 41.748 0.000) 41.748 2.458 ( 0.000 60.835 0.000) 60.835 3.391 ( 0.000 -15.334 0.000) 15.334 3.549 ( 0.000 -19.147 0.000) 19.147 3.610 ( 0.000 10.761 0.000) 10.761 3.741 ( 0.000 5.508 0.000) 5.508 3.959 ( 0.000 1.079 0.000) 1.079 4.324 ( 0.000 -4.521 0.000) 4.521 4.378 ( 0.000 -13.927 0.000) 13.927 4.480 ( 0.000 -14.072 0.000) 14.072 4.927 ( 0.000 -19.003 0.000) 19.003 5.221 ( 0.000 4.057 0.000) 4.057 5.446 ( 0.000 -3.404 0.000) 3.404 5.571 ( 0.000 9.035 0.000) 9.035 5.870 ( 0.000 -2.269 0.000) 2.269 5.892 ( 0.000 6.128 0.000) 6.128 6.613 ( 0.000 26.228 0.000) 26.228 6.771 ( 0.000 -22.360 0.000) 22.360 8.065 ( 0.000 -13.768 0.000) 13.768 8.694 ( 0.000 -5.805 0.000) 5.805 8.724 ( 0.000 -8.466 0.000) 8.466 8.823 ( 0.000 1.194 0.000) 1.194 8.943 ( 0.000 -2.079 0.000) 2.079 10.886 ( 0.000 14.541 0.000) 14.541 11.507 ( 0.000 -5.902 0.000) 5.902 12.671 ( 0.000 57.941 0.000) 57.941 16.194 ( 0.000 8.625 0.000) 8.625 16.393 ( 0.000 -42.650 0.000) 42.650 16.459 ( 0.000 10.996 0.000) 10.996 16.796 ( 0.000 1.200 0.000) 1.200 16.847 ( 0.000 -30.160 0.000) 30.160 17.701 ( 0.000 4.768 0.000) 4.768 17.947 ( 0.000 -1.892 0.000) 1.892 19.794 ( 0.000 -1.054 0.000) 1.054 20.337 ( 0.000 -18.764 0.000) 18.764 21.112 ( 0.000 7.297 0.000) 7.297 21.390 ( 0.000 -4.426 0.000) 4.426 22.157 ( 0.000 13.378 0.000) 13.378 22.604 ( 0.000 9.337 0.000) 9.337 23.846 ( 0.000 4.000 0.000) 4.000 24.604 ( 0.000 -11.726 0.000) 11.726 25.341 ( 0.000 18.566 0.000) 18.566 26.348 ( 0.000 -13.337 0.000) 13.337 26.508 ( 0.000 9.326 0.000) 9.326 26.854 ( 0.000 2.656 0.000) 2.656 26.978 ( 0.000 -1.716 0.000) 1.716 27.135 ( 0.000 -9.373 0.000) 9.373 33.567 ( 0.000 4.128 0.000) 4.128 33.844 ( 0.000 -4.183 0.000) 4.183 34.508 ( 0.000 31.323 0.000) 31.323 36.866 ( 0.000 -41.448 0.000) 41.448 37.653 ( 0.000 3.146 0.000) 3.146 37.856 ( 0.000 -2.951 0.000) 2.951 38.316 ( 0.000 2.521 0.000) 2.521 38.515 ( 0.000 -3.278 0.000) 3.278 41.008 ( 0.000 4.294 0.000) 4.294 41.289 ( 0.000 -4.120 0.000) 4.120 42.716 ( 0.000 15.889 0.000) 15.889 43.312 ( 0.000 -4.217 0.000) 4.217 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.776 38.219 0.000) 38.517 1.848 ( 13.624 37.552 0.000) 39.947 2.950 ( 37.611 48.312 0.000) 61.227 3.347 ( -3.780 -15.135 0.000) 15.600 3.517 ( -2.524 -5.698 0.000) 6.232 3.632 ( 1.766 -4.708 0.000) 5.028 3.752 ( 0.335 4.294 0.000) 4.307 3.942 ( -2.514 0.326 0.000) 2.535 4.247 ( -5.884 -4.615 0.000) 7.478 4.371 ( -1.120 -12.888 0.000) 12.937 4.478 ( -0.996 -11.880 0.000) 11.922 4.735 ( -12.403 -2.244 0.000) 12.604 5.418 ( 0.443 -8.549 0.000) 8.560 5.498 ( 13.030 -8.590 0.000) 15.607 5.641 ( 6.785 9.195 0.000) 11.427 5.826 ( 0.254 11.946 0.000) 11.948 5.946 ( 7.220 -2.293 0.000) 7.575 6.580 ( -2.893 25.579 0.000) 25.742 6.857 ( 7.206 -23.368 0.000) 24.454 7.956 ( -9.515 -12.726 0.000) 15.889 8.573 ( -9.320 -4.604 0.000) 10.396 8.639 ( -15.207 2.640 0.000) 15.434 8.730 ( -2.348 -8.132 0.000) 8.464 8.799 ( -12.945 -2.552 0.000) 13.194 11.223 ( 30.522 14.422 0.000) 33.757 11.847 ( 29.765 -5.392 0.000) 30.249 12.867 ( 18.354 52.970 0.000) 56.060 16.067 ( -10.594 -1.983 0.000) 10.778 16.267 ( -18.229 20.396 0.000) 27.355 16.379 ( -4.203 -22.511 0.000) 22.900 16.424 ( -3.838 8.983 0.000) 9.768 16.814 ( -2.198 -37.354 0.000) 37.419 18.003 ( 12.056 6.460 0.000) 13.678 18.832 ( 61.328 -32.383 0.000) 69.353 19.925 ( 14.023 -1.124 0.000) 14.068 20.425 ( 10.190 -16.949 0.000) 19.776 21.062 ( -4.757 5.391 0.000) 7.190 21.224 ( -14.492 -0.826 0.000) 14.516 22.159 ( 1.061 16.794 0.000) 16.828 22.802 ( 16.197 6.817 0.000) 17.573 23.808 ( -3.452 2.479 0.000) 4.250 24.612 ( 0.785 -13.086 0.000) 13.109 25.176 ( -14.976 22.890 0.000) 27.353 26.244 ( -12.910 2.427 0.000) 13.136 26.399 ( -20.677 6.387 0.000) 21.641 26.465 ( -4.387 9.997 0.000) 10.918 27.118 ( -1.568 -9.640 0.000) 9.767 27.197 ( 5.215 -14.364 0.000) 15.282 33.785 ( 20.758 3.405 0.000) 21.036 34.015 ( 16.276 -3.452 0.000) 16.638 34.534 ( 2.616 31.093 0.000) 31.203 36.881 ( 1.405 -41.376 0.000) 41.399 37.393 ( -22.838 4.632 0.000) 23.303 37.744 ( -8.928 -8.662 0.000) 12.439 38.220 ( -9.375 2.559 0.000) 9.718 38.424 ( -8.948 -3.355 0.000) 9.556 41.197 ( 16.666 4.206 0.000) 17.189 41.435 ( 11.325 -1.493 0.000) 11.423 42.682 ( -3.240 15.995 0.000) 16.320 43.277 ( -3.394 -4.134 0.000) 5.349 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 21.979 19.436 0.000) 29.340 2.205 ( 19.761 28.021 0.000) 34.288 3.270 ( -2.826 -14.179 0.000) 14.458 3.472 ( -1.192 -3.248 0.000) 3.460 3.634 ( 10.130 14.738 0.000) 17.884 3.655 ( -0.672 -9.993 0.000) 10.015 3.786 ( 12.751 15.258 0.000) 19.885 3.829 ( -7.678 -3.805 0.000) 8.569 4.132 ( -5.321 0.134 0.000) 5.323 4.329 ( -0.470 4.705 0.000) 4.729 4.434 ( -2.705 -11.061 0.000) 11.387 4.535 ( -5.591 -5.681 0.000) 7.971 5.215 ( -9.290 -3.801 0.000) 10.037 5.819 ( 10.169 13.788 0.000) 17.133 5.842 ( 12.161 9.744 0.000) 15.583 6.095 ( 25.502 -11.978 0.000) 28.174 6.146 ( 11.271 -1.174 0.000) 11.332 6.524 ( -1.017 22.179 0.000) 22.202 7.030 ( 9.163 -24.038 0.000) 25.725 7.724 ( -12.311 -9.737 0.000) 15.697 8.273 ( -19.792 3.173 0.000) 20.045 8.317 ( -15.466 -3.397 0.000) 15.835 8.463 ( -19.006 -2.768 0.000) 19.207 8.606 ( -9.843 -7.581 0.000) 12.424 12.026 ( 45.205 13.758 0.000) 47.252 12.599 ( 41.194 -2.718 0.000) 41.284 13.373 ( 29.383 41.666 0.000) 50.985 15.793 ( -15.958 -5.088 0.000) 16.749 16.149 ( -18.058 -4.889 0.000) 18.708 16.161 ( 0.766 8.229 0.000) 8.265 16.294 ( -6.513 5.902 0.000) 8.789 16.791 ( -0.270 -44.554 0.000) 44.555 18.339 ( 20.182 15.535 0.000) 25.469 19.716 ( 24.509 -27.756 0.000) 37.028 20.378 ( 25.821 -5.368 0.000) 26.373 20.853 ( -20.440 3.938 0.000) 20.816 20.932 ( -7.942 0.939 0.000) 7.998 20.934 ( 42.909 -19.219 0.000) 47.016 22.202 ( 2.491 23.065 0.000) 23.199 23.151 ( 15.386 9.364 0.000) 18.011 23.729 ( -3.163 -4.847 0.000) 5.788 24.642 ( 2.354 -16.722 0.000) 16.887 24.794 ( -20.773 28.817 0.000) 35.524 25.859 ( -17.982 30.511 0.000) 35.416 26.118 ( -12.571 -16.176 0.000) 20.486 26.321 ( -9.757 12.565 0.000) 15.909 27.076 ( -2.294 -10.662 0.000) 10.906 27.208 ( -2.739 -18.803 0.000) 19.002 34.381 ( 36.007 1.598 0.000) 36.043 34.490 ( 29.310 -1.621 0.000) 29.355 34.625 ( 6.507 30.191 0.000) 30.884 36.818 ( -31.111 7.936 0.000) 32.107 36.924 ( 2.841 -40.922 0.000) 41.020 37.557 ( -8.715 -19.384 0.000) 21.253 37.930 ( -18.944 2.541 0.000) 19.114 38.142 ( -18.624 -3.507 0.000) 18.951 41.606 ( 21.047 3.749 0.000) 21.378 41.673 ( 11.729 5.151 0.000) 12.811 42.586 ( -5.936 16.215 0.000) 17.267 43.173 ( -6.751 -3.825 0.000) 7.760 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 25.477 4.616 0.000) 25.891 2.615 ( 19.417 18.917 0.000) 27.108 3.259 ( 2.075 -10.873 0.000) 11.069 3.475 ( -0.064 -4.692 0.000) 4.693 3.528 ( -10.446 4.299 0.000) 11.296 3.555 ( -6.922 -9.000 0.000) 11.354 3.705 ( -4.424 -6.120 0.000) 7.551 3.874 ( -4.932 6.645 0.000) 8.276 4.005 ( -7.108 2.965 0.000) 7.702 4.281 ( -10.244 -3.793 0.000) 10.924 4.396 ( -0.588 -12.278 0.000) 12.292 4.516 ( -0.898 -5.997 0.000) 6.064 5.389 ( 27.697 18.193 0.000) 33.138 5.986 ( 8.126 17.686 0.000) 19.464 6.059 ( 5.103 16.340 0.000) 17.119 6.369 ( 12.714 4.850 0.000) 13.608 6.654 ( 14.741 6.850 0.000) 16.255 6.687 ( 29.325 -13.207 0.000) 32.161 7.220 ( 9.101 -23.939 0.000) 25.611 7.447 ( -15.719 -1.699 0.000) 15.810 7.841 ( -21.733 3.316 0.000) 21.985 7.961 ( -17.998 -7.027 0.000) 19.321 8.038 ( -21.917 -2.710 0.000) 22.084 8.330 ( -16.797 -8.221 0.000) 18.701 12.998 ( 47.898 11.803 0.000) 49.330 13.466 ( 41.828 -0.762 0.000) 41.835 14.015 ( 31.632 28.621 0.000) 42.659 15.400 ( -22.882 -4.016 0.000) 23.231 15.678 ( -26.387 3.545 0.000) 26.624 15.919 ( -19.558 6.619 0.000) 20.647 16.393 ( 9.718 -9.267 0.000) 13.428 16.777 ( -1.603 -41.503 0.000) 41.534 18.801 ( 24.247 18.970 0.000) 30.786 20.064 ( 12.878 -21.084 0.000) 24.706 20.390 ( -24.286 8.759 0.000) 25.817 20.752 ( -9.657 -6.105 0.000) 11.425 20.948 ( 29.938 6.568 0.000) 30.650 21.963 ( 51.384 -25.552 0.000) 57.386 22.214 ( -2.929 27.416 0.000) 27.572 23.361 ( 5.563 21.094 0.000) 21.815 23.715 ( 0.587 -20.109 0.000) 20.117 24.356 ( -21.436 29.269 0.000) 36.279 24.733 ( 7.465 -20.077 0.000) 21.420 25.555 ( -12.258 24.874 0.000) 27.730 25.845 ( -12.886 -11.267 0.000) 17.117 26.070 ( -14.039 17.944 0.000) 22.783 27.033 ( -1.640 -12.760 0.000) 12.865 27.128 ( -4.302 -19.761 0.000) 20.224 34.814 ( 12.169 28.110 0.000) 30.631 35.184 ( 37.490 0.355 0.000) 37.492 35.212 ( 43.452 -0.472 0.000) 43.454 36.176 ( -30.440 13.180 0.000) 33.171 36.995 ( 3.883 -38.933 0.000) 39.126 37.390 ( -7.661 -28.174 0.000) 29.197 37.446 ( -27.839 1.575 0.000) 27.884 37.655 ( -28.805 -3.529 0.000) 29.020 41.879 ( 10.102 11.120 0.000) 15.024 42.053 ( 20.366 1.710 0.000) 20.438 42.444 ( -7.810 16.274 0.000) 18.051 43.000 ( -10.123 -3.141 0.000) 10.599 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 20.788 -2.239 0.000) 20.908 2.981 ( 15.941 11.305 0.000) 19.543 3.278 ( -12.691 6.984 0.000) 14.486 3.310 ( -12.599 -3.380 0.000) 13.044 3.352 ( 5.909 -7.847 0.000) 9.823 3.492 ( -5.901 -6.710 0.000) 8.935 3.686 ( 4.876 -9.655 0.000) 10.816 3.774 ( -3.697 2.733 0.000) 4.597 3.884 ( -2.404 3.832 0.000) 4.524 4.011 ( -13.024 -6.954 0.000) 14.764 4.412 ( 1.973 -12.462 0.000) 12.617 4.465 ( -2.909 -10.514 0.000) 10.909 5.902 ( 12.872 23.739 0.000) 27.004 6.044 ( -4.052 22.850 0.000) 23.207 6.314 ( 27.741 14.995 0.000) 31.534 6.692 ( 10.824 1.556 0.000) 10.935 7.022 ( 5.149 4.250 0.000) 6.677 7.074 ( -1.198 7.845 0.000) 7.936 7.139 ( 2.328 -4.739 0.000) 5.280 7.379 ( 2.688 -13.146 0.000) 13.418 7.479 ( -5.720 -4.440 0.000) 7.241 7.634 ( -8.412 -8.218 0.000) 11.760 7.642 ( -12.386 -15.015 0.000) 19.464 7.930 ( -21.445 -11.024 0.000) 24.113 13.942 ( 42.845 8.153 0.000) 43.614 14.265 ( 34.749 -0.475 0.000) 34.752 14.530 ( 6.068 11.129 0.000) 12.676 14.845 ( -27.999 -0.225 0.000) 28.000 15.189 ( -12.523 13.531 0.000) 18.436 15.455 ( -24.140 13.161 0.000) 27.495 16.581 ( 8.058 -23.558 0.000) 24.898 16.713 ( -4.719 -34.140 0.000) 34.465 19.322 ( 26.253 16.890 0.000) 31.217 19.867 ( -26.376 12.993 0.000) 29.403 20.308 ( 11.445 -17.624 0.000) 21.014 20.539 ( -10.939 -12.648 0.000) 16.722 21.555 ( 27.509 17.574 0.000) 32.643 22.019 ( -16.604 24.956 0.000) 29.975 22.909 ( 38.322 -25.475 0.000) 46.017 23.416 ( -6.533 4.637 0.000) 8.011 23.684 ( 1.674 -6.540 0.000) 6.751 23.937 ( -18.483 24.847 0.000) 30.968 24.967 ( 14.760 -17.351 0.000) 22.780 25.289 ( -15.040 -2.335 0.000) 15.220 25.679 ( -1.191 14.122 0.000) 14.172 25.794 ( -11.141 23.188 0.000) 25.726 27.018 ( 0.349 -15.697 0.000) 15.701 27.051 ( -2.838 -18.450 0.000) 18.667 35.133 ( 18.986 24.427 0.000) 30.938 35.591 ( -25.296 19.216 0.000) 31.767 35.988 ( 39.132 1.809 0.000) 39.174 36.119 ( 43.662 -2.130 0.000) 43.713 36.764 ( -34.821 2.374 0.000) 34.902 36.965 ( -37.810 -3.245 0.000) 37.949 37.118 ( 4.519 -37.756 0.000) 38.025 37.241 ( -6.760 -34.286 0.000) 34.947 42.081 ( 9.548 14.290 0.000) 17.186 42.271 ( -8.927 15.790 0.000) 18.138 42.440 ( 17.169 -0.248 0.000) 17.170 42.756 ( -13.601 -1.946 0.000) 13.739 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.000 34.683 0.000) 34.683 2.449 ( 0.000 37.179 0.000) 37.179 2.990 ( 0.000 -23.899 0.000) 23.899 3.082 ( 0.000 -29.790 0.000) 29.790 3.526 ( 0.000 46.327 0.000) 46.327 3.828 ( 0.000 11.568 0.000) 11.568 3.856 ( 0.000 5.567 0.000) 5.567 3.974 ( 0.000 -1.941 0.000) 1.941 4.145 ( 0.000 -8.402 0.000) 8.402 4.240 ( 0.000 -3.651 0.000) 3.651 4.257 ( 0.000 -7.686 0.000) 7.686 4.438 ( 0.000 -32.420 0.000) 32.420 5.299 ( 0.000 4.144 0.000) 4.144 5.375 ( 0.000 -3.963 0.000) 3.963 5.715 ( 0.000 6.345 0.000) 6.345 5.812 ( 0.000 -4.011 0.000) 4.011 6.058 ( 0.000 12.070 0.000) 12.070 6.359 ( 0.000 -19.894 0.000) 19.894 7.153 ( 0.000 29.996 0.000) 29.996 7.689 ( 0.000 -25.575 0.000) 25.575 8.618 ( 0.000 -2.143 0.000) 2.143 8.619 ( 0.000 -2.553 0.000) 2.553 8.855 ( 0.000 2.144 0.000) 2.144 8.900 ( 0.000 -2.447 0.000) 2.447 11.151 ( 0.000 13.065 0.000) 13.065 11.364 ( 0.000 -9.475 0.000) 9.475 13.880 ( 0.000 69.228 0.000) 69.228 15.212 ( 0.000 -70.809 0.000) 70.809 16.373 ( 0.000 10.034 0.000) 10.034 16.563 ( 0.000 -10.363 0.000) 10.363 16.658 ( 0.000 9.240 0.000) 9.240 16.780 ( 0.000 -3.450 0.000) 3.450 17.801 ( 0.000 5.570 0.000) 5.570 17.894 ( 0.000 -3.951 0.000) 3.951 19.825 ( 0.000 5.210 0.000) 5.210 20.011 ( 0.000 -14.493 0.000) 14.493 21.223 ( 0.000 4.901 0.000) 4.901 21.308 ( 0.000 -4.338 0.000) 4.338 22.418 ( 0.000 13.648 0.000) 13.648 22.625 ( 0.000 -6.653 0.000) 6.653 24.034 ( 0.000 14.990 0.000) 14.990 24.340 ( 0.000 -16.030 0.000) 16.030 25.707 ( 0.000 19.682 0.000) 19.682 26.059 ( 0.000 -17.329 0.000) 17.329 26.709 ( 0.000 11.697 0.000) 11.697 26.900 ( 0.000 2.326 0.000) 2.326 26.933 ( 0.000 -11.733 0.000) 11.733 26.942 ( 0.000 -2.120 0.000) 2.120 33.655 ( 0.000 5.173 0.000) 5.173 33.754 ( 0.000 -5.198 0.000) 5.198 35.201 ( 0.000 41.576 0.000) 41.576 36.032 ( 0.000 -45.709 0.000) 45.709 37.719 ( 0.000 3.839 0.000) 3.839 37.792 ( 0.000 -3.752 0.000) 3.752 38.375 ( 0.000 3.596 0.000) 3.596 38.446 ( 0.000 -3.865 0.000) 3.865 41.100 ( 0.000 5.280 0.000) 5.280 41.200 ( 0.000 -5.203 0.000) 5.203 42.994 ( 0.000 13.104 0.000) 13.104 43.196 ( 0.000 -8.352 0.000) 8.352 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -2.122 34.806 0.000) 34.870 2.534 ( 7.826 34.667 0.000) 35.540 2.948 ( -3.207 -25.634 0.000) 25.834 3.127 ( 4.040 -27.836 0.000) 28.127 3.742 ( 12.227 25.644 0.000) 28.410 3.746 ( -6.581 9.061 0.000) 11.199 3.875 ( 2.900 7.471 0.000) 8.014 3.902 ( -7.256 -6.064 0.000) 9.456 4.200 ( 8.543 2.804 0.000) 8.992 4.203 ( -0.997 1.643 0.000) 1.922 4.297 ( 0.666 -7.461 0.000) 7.490 4.562 ( 6.572 -18.652 0.000) 19.776 5.299 ( -1.509 -3.075 0.000) 3.425 5.331 ( 1.822 -6.443 0.000) 6.696 5.789 ( 7.030 6.495 0.000) 9.571 5.887 ( 7.191 -4.080 0.000) 8.268 6.083 ( 3.137 15.429 0.000) 15.745 6.425 ( 5.846 -21.225 0.000) 22.015 7.103 ( -4.544 28.758 0.000) 29.115 7.609 ( -7.056 -23.766 0.000) 24.792 8.537 ( -6.846 0.696 0.000) 6.882 8.595 ( -3.834 -5.436 0.000) 6.652 8.691 ( -14.164 2.929 0.000) 14.464 8.747 ( -13.429 -2.931 0.000) 13.745 11.490 ( 30.548 13.244 0.000) 33.295 11.706 ( 30.603 -9.570 0.000) 32.064 13.990 ( 10.338 64.896 0.000) 65.714 15.238 ( 2.254 -65.594 0.000) 65.633 16.311 ( -5.930 7.809 0.000) 9.805 16.478 ( -8.080 -9.915 0.000) 12.791 16.526 ( -14.698 7.571 0.000) 16.534 16.558 ( -8.483 3.760 0.000) 9.279 18.147 ( 23.492 9.465 0.000) 25.327 18.387 ( 41.396 -16.974 0.000) 44.741 19.959 ( 13.783 5.182 0.000) 14.725 20.132 ( 12.922 -13.099 0.000) 18.400 21.139 ( -7.794 3.312 0.000) 8.468 21.193 ( -10.445 -2.350 0.000) 10.706 22.489 ( 6.571 17.314 0.000) 18.519 22.764 ( 12.220 -10.304 0.000) 15.984 23.993 ( -3.939 15.895 0.000) 16.376 24.321 ( -1.715 -17.420 0.000) 17.504 25.598 ( -10.345 21.843 0.000) 24.169 25.984 ( -7.344 -18.829 0.000) 20.210 26.677 ( -3.158 12.254 0.000) 12.654 26.689 ( -14.588 14.958 0.000) 20.894 26.910 ( -2.221 -12.128 0.000) 12.330 26.946 ( -3.495 -12.960 0.000) 13.423 33.859 ( 19.322 4.283 0.000) 19.791 33.941 ( 17.735 -4.312 0.000) 18.251 35.222 ( 2.123 41.323 0.000) 41.377 36.049 ( 1.670 -45.526 0.000) 45.556 37.491 ( -20.106 5.696 0.000) 20.897 37.606 ( -15.899 -6.572 0.000) 17.203 38.280 ( -9.259 3.689 0.000) 9.967 38.354 ( -9.096 -3.963 0.000) 9.922 41.285 ( 16.159 4.994 0.000) 16.914 41.375 ( 14.801 -4.342 0.000) 15.424 42.961 ( -3.157 13.108 0.000) 13.483 43.163 ( -3.238 -8.286 0.000) 8.896 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 7.872 26.833 0.000) 27.964 2.744 ( 11.878 28.272 0.000) 30.666 2.911 ( 0.594 -23.128 0.000) 23.135 3.226 ( 4.914 -21.742 0.000) 22.290 3.607 ( -6.263 3.629 0.000) 7.239 3.716 ( -9.548 -7.077 0.000) 11.885 3.785 ( -3.550 7.620 0.000) 8.406 3.929 ( -1.256 -5.211 0.000) 5.360 4.170 ( -2.967 3.834 0.000) 4.848 4.269 ( -3.114 -6.741 0.000) 7.425 4.477 ( 7.627 8.412 0.000) 11.355 4.521 ( -9.387 1.574 0.000) 9.518 5.297 ( 12.843 15.104 0.000) 19.827 5.697 ( 28.569 -22.179 0.000) 36.168 5.996 ( 12.841 6.702 0.000) 14.485 6.096 ( 12.742 -4.001 0.000) 13.356 6.188 ( 6.522 17.917 0.000) 19.067 6.574 ( 8.227 -23.076 0.000) 24.499 6.990 ( -5.676 25.750 0.000) 26.368 7.437 ( -8.885 -20.493 0.000) 22.336 8.326 ( -13.894 3.978 0.000) 14.452 8.338 ( -19.475 3.599 0.000) 19.805 8.404 ( -19.156 -3.409 0.000) 19.457 8.447 ( -10.940 -8.257 0.000) 13.706 12.285 ( 44.314 12.987 0.000) 46.178 12.491 ( 43.256 -8.586 0.000) 44.100 14.279 ( 16.883 53.176 0.000) 55.792 15.279 ( 0.609 -48.747 0.000) 48.751 16.125 ( -12.829 3.596 0.000) 13.323 16.261 ( -11.427 -12.344 0.000) 16.821 16.299 ( -8.773 5.799 0.000) 10.517 16.356 ( -9.961 0.160 0.000) 9.963 18.688 ( 26.387 21.740 0.000) 34.189 19.160 ( 29.693 -28.370 0.000) 41.067 20.420 ( 30.895 7.473 0.000) 31.786 20.625 ( 36.286 -13.913 0.000) 38.862 20.904 ( -15.968 1.996 0.000) 16.092 20.932 ( -13.089 -0.935 0.000) 13.122 22.655 ( 8.333 24.019 0.000) 25.424 23.059 ( 14.730 -17.111 0.000) 22.578 23.886 ( -5.718 18.962 0.000) 19.805 24.281 ( -1.579 -21.088 0.000) 21.147 25.305 ( -17.596 25.746 0.000) 31.185 25.756 ( -14.795 -21.996 0.000) 26.509 26.388 ( -13.123 25.586 0.000) 28.755 26.578 ( -6.514 14.357 0.000) 15.765 26.828 ( -6.850 -21.590 0.000) 22.651 26.845 ( -4.037 -13.653 0.000) 14.237 34.415 ( 33.842 2.047 0.000) 33.904 34.455 ( 31.452 -2.068 0.000) 31.520 35.294 ( 5.110 40.314 0.000) 40.637 36.104 ( 3.776 -44.739 0.000) 44.898 36.998 ( -25.872 11.160 0.000) 28.177 37.239 ( -18.177 -14.660 0.000) 23.352 37.992 ( -18.903 3.867 0.000) 19.295 38.069 ( -18.758 -4.155 0.000) 19.212 41.674 ( 19.970 3.202 0.000) 20.225 41.712 ( 16.646 -0.481 0.000) 16.653 42.867 ( -5.960 13.011 0.000) 14.311 43.064 ( -6.303 -7.996 0.000) 10.181 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 15.189 15.154 0.000) 21.455 2.990 ( 6.973 -16.679 0.000) 18.078 2.990 ( 11.437 19.788 0.000) 22.855 3.310 ( 3.301 -13.192 0.000) 13.599 3.480 ( -6.980 0.602 0.000) 7.006 3.560 ( -5.181 -7.575 0.000) 9.177 3.650 ( -9.280 8.585 0.000) 12.642 3.834 ( -7.613 -9.442 0.000) 12.129 4.076 ( -5.479 4.833 0.000) 7.306 4.197 ( -2.918 -8.375 0.000) 8.868 4.282 ( -12.201 5.568 0.000) 13.412 4.409 ( -8.005 -6.591 0.000) 10.370 5.852 ( 33.763 28.245 0.000) 44.019 6.288 ( 13.903 8.196 0.000) 16.139 6.319 ( 11.904 3.717 0.000) 12.470 6.372 ( 29.313 -6.641 0.000) 30.056 6.388 ( 15.040 -2.604 0.000) 15.264 6.751 ( 8.936 -24.228 0.000) 25.823 6.915 ( 0.101 19.180 0.000) 19.181 7.272 ( -6.623 -16.347 0.000) 17.638 7.909 ( -21.831 3.803 0.000) 22.160 7.962 ( -21.488 6.598 0.000) 22.478 7.979 ( -21.875 -3.497 0.000) 22.153 8.141 ( -18.821 -10.933 0.000) 21.766 13.224 ( 45.460 11.348 0.000) 46.855 13.398 ( 43.385 -6.658 0.000) 43.893 14.631 ( 15.428 35.006 0.000) 38.255 15.195 ( -10.571 -20.735 0.000) 23.274 15.782 ( -18.713 8.490 0.000) 20.549 16.061 ( -14.005 8.216 0.000) 16.237 16.089 ( -4.350 -27.411 0.000) 27.754 16.222 ( -4.194 -8.861 0.000) 9.804 19.187 ( 22.581 21.991 0.000) 31.520 19.623 ( 17.993 -24.189 0.000) 30.147 20.528 ( -20.057 6.304 0.000) 21.024 20.640 ( -15.376 -5.837 0.000) 16.446 21.168 ( 39.493 15.844 0.000) 42.553 21.520 ( 46.723 -21.389 0.000) 51.386 22.749 ( -1.678 28.572 0.000) 28.621 23.262 ( 1.297 -25.461 0.000) 25.494 23.828 ( 2.960 25.422 0.000) 25.593 24.308 ( 5.887 -24.768 0.000) 25.458 24.899 ( -21.311 28.084 0.000) 35.254 25.391 ( -20.063 -23.582 0.000) 30.962 26.189 ( -5.890 28.847 0.000) 29.442 26.417 ( -8.717 18.568 0.000) 20.512 26.702 ( -4.825 -25.261 0.000) 25.718 26.753 ( -4.610 -16.769 0.000) 17.391 35.192 ( 39.403 0.478 0.000) 39.406 35.202 ( 41.479 -0.537 0.000) 41.482 35.441 ( 9.302 37.943 0.000) 39.066 36.208 ( 6.455 -42.755 0.000) 43.239 36.479 ( -23.929 19.077 0.000) 30.602 36.889 ( -15.648 -24.481 0.000) 29.055 37.504 ( -28.523 3.873 0.000) 28.785 37.581 ( -28.672 -4.183 0.000) 28.976 42.029 ( 14.400 4.803 0.000) 15.180 42.072 ( 17.988 -0.212 0.000) 17.989 42.720 ( -8.273 12.518 0.000) 15.005 42.905 ( -9.179 -7.242 0.000) 11.692 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 15.762 6.433 0.000) 17.025 3.175 ( 10.121 -10.248 0.000) 14.404 3.194 ( 6.600 9.828 0.000) 11.838 3.317 ( -7.307 5.273 0.000) 9.011 3.345 ( -3.374 -7.870 0.000) 8.563 3.436 ( -10.624 9.772 0.000) 14.434 3.492 ( 1.614 -10.731 0.000) 10.852 3.641 ( -10.043 -11.635 0.000) 15.370 4.000 ( -0.521 8.012 0.000) 8.029 4.073 ( -7.310 9.108 0.000) 11.679 4.183 ( 1.866 -11.328 0.000) 11.481 4.264 ( -5.686 -10.679 0.000) 12.099 6.370 ( 9.464 24.258 0.000) 26.039 6.447 ( 0.777 18.382 0.000) 18.399 6.576 ( 18.455 9.061 0.000) 20.559 6.673 ( 9.319 -5.285 0.000) 10.714 6.963 ( 16.794 -11.294 0.000) 20.238 7.043 ( 27.975 -17.294 0.000) 32.889 7.071 ( 14.415 4.968 0.000) 15.247 7.208 ( 2.859 -3.738 0.000) 4.706 7.459 ( -26.381 3.862 0.000) 26.662 7.470 ( -19.347 2.344 0.000) 19.489 7.533 ( -19.891 -3.974 0.000) 20.284 7.684 ( -24.998 -14.360 0.000) 28.829 14.099 ( 38.669 7.929 0.000) 39.473 14.220 ( 35.508 -4.535 0.000) 35.797 14.718 ( -14.460 7.967 0.000) 16.509 14.820 ( -24.468 -3.004 0.000) 24.652 15.539 ( 1.119 24.089 0.000) 24.115 15.756 ( -14.930 18.595 0.000) 23.847 16.077 ( 2.245 -32.321 0.000) 32.398 16.144 ( -3.659 -22.409 0.000) 22.705 19.641 ( 22.032 17.102 0.000) 27.890 19.970 ( 16.486 -17.948 0.000) 24.371 20.094 ( -21.891 11.479 0.000) 24.718 20.310 ( -16.525 -11.740 0.000) 20.271 21.945 ( 34.320 23.385 0.000) 41.530 22.415 ( 38.337 -26.216 0.000) 46.444 22.520 ( -20.554 27.713 0.000) 34.504 23.041 ( -21.728 -27.186 0.000) 34.802 24.049 ( 16.817 27.233 0.000) 32.007 24.453 ( -21.477 28.398 0.000) 35.605 24.554 ( 17.248 -25.403 0.000) 30.705 24.960 ( -21.206 -24.572 0.000) 32.457 26.148 ( 1.676 27.757 0.000) 27.808 26.245 ( -7.279 23.888 0.000) 24.972 26.644 ( -0.686 -24.499 0.000) 24.508 26.670 ( -2.999 -20.968 0.000) 21.182 35.682 ( 14.345 33.611 0.000) 36.544 36.016 ( 15.018 13.859 0.000) 20.435 36.040 ( 8.102 14.912 0.000) 16.971 36.075 ( 40.487 -1.787 0.000) 40.526 36.371 ( 9.479 -38.858 0.000) 39.998 36.599 ( -12.593 -32.940 0.000) 35.265 36.831 ( -36.555 3.352 0.000) 36.708 36.900 ( -37.296 -3.741 0.000) 37.483 42.300 ( 12.143 8.738 0.000) 14.960 42.411 ( 14.986 -3.344 0.000) 15.355 42.530 ( -10.232 11.229 0.000) 15.192 42.688 ( -12.013 -5.747 0.000) 13.317 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 0.000 37.438) 37.438 0.943 ( 0.000 0.000 44.182) 44.182 1.463 ( 0.000 0.000 68.412) 68.412 3.451 ( 0.000 0.000 -2.700) 2.700 3.655 ( 0.000 0.000 2.125) 2.125 3.709 ( 0.000 0.000 2.550) 2.550 3.799 ( 0.000 0.000 0.169) 0.169 3.953 ( 0.000 0.000 -8.467) 8.467 4.351 ( 0.000 0.000 -6.214) 6.214 4.698 ( 0.000 0.000 -26.345) 26.345 4.706 ( 0.000 0.000 -2.160) 2.160 4.852 ( 0.000 0.000 -4.840) 4.840 5.045 ( 0.000 0.000 6.901) 6.901 5.347 ( 0.000 0.000 3.859) 3.859 5.593 ( 0.000 0.000 7.125) 7.125 5.734 ( 0.000 0.000 16.795) 16.795 6.045 ( 0.000 0.000 -7.397) 7.397 6.109 ( 0.000 0.000 7.912) 7.912 7.383 ( 0.000 0.000 9.964) 9.964 8.284 ( 0.000 0.000 -5.480) 5.480 8.638 ( 0.000 0.000 -4.082) 4.082 8.697 ( 0.000 0.000 -17.008) 17.008 8.752 ( 0.000 0.000 -19.990) 19.990 8.864 ( 0.000 0.000 -11.672) 11.672 11.001 ( 0.000 0.000 38.473) 38.473 11.533 ( 0.000 0.000 10.635) 10.635 11.919 ( 0.000 0.000 26.802) 26.802 14.903 ( 0.000 0.000 -1.332) 1.332 16.137 ( 0.000 0.000 -8.981) 8.981 16.262 ( 0.000 0.000 22.131) 22.131 16.871 ( 0.000 0.000 12.438) 12.438 17.806 ( 0.000 0.000 -16.305) 16.305 18.168 ( 0.000 0.000 -1.033) 1.033 18.569 ( 0.000 0.000 -18.323) 18.323 20.301 ( 0.000 0.000 32.906) 32.906 20.778 ( 0.000 0.000 -0.607) 0.607 21.039 ( 0.000 0.000 -1.609) 1.609 21.127 ( 0.000 0.000 -9.364) 9.364 21.341 ( 0.000 0.000 -16.342) 16.342 22.002 ( 0.000 0.000 15.554) 15.554 23.859 ( 0.000 0.000 1.005) 1.005 24.620 ( 0.000 0.000 -14.687) 14.687 24.980 ( 0.000 0.000 -0.013) 0.013 26.268 ( 0.000 0.000 -5.276) 5.276 26.684 ( 0.000 0.000 1.490) 1.490 27.036 ( 0.000 0.000 2.423) 2.423 27.373 ( 0.000 0.000 3.900) 3.900 27.840 ( 0.000 0.000 -1.302) 1.302 33.684 ( 0.000 0.000 18.735) 18.735 33.948 ( 0.000 0.000 5.518) 5.518 34.062 ( 0.000 0.000 12.615) 12.615 37.475 ( 0.000 0.000 -7.040) 7.040 37.726 ( 0.000 0.000 -8.380) 8.380 37.839 ( 0.000 0.000 -7.397) 7.397 38.008 ( 0.000 0.000 -18.839) 18.839 38.237 ( 0.000 0.000 -1.529) 1.529 41.158 ( 0.000 0.000 19.930) 19.930 41.499 ( 0.000 0.000 2.262) 2.262 42.282 ( 0.000 0.000 -2.801) 2.801 43.341 ( 0.000 0.000 -3.497) 3.497 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 28.712 0.000 28.133) 40.198 1.330 ( 31.488 0.000 29.593) 43.211 1.952 ( 43.794 0.000 46.525) 63.894 3.435 ( 1.277 0.000 0.197) 1.292 3.605 ( -3.618 0.000 -2.189) 4.229 3.766 ( 1.200 0.000 1.268) 1.746 3.811 ( 1.004 0.000 0.109) 1.010 3.942 ( -1.145 0.000 -7.427) 7.515 4.271 ( -7.538 0.000 -6.441) 9.915 4.514 ( -16.501 0.000 -14.669) 22.078 4.703 ( -0.140 0.000 -2.484) 2.488 4.808 ( -4.010 0.000 -4.752) 6.218 5.141 ( 7.379 0.000 2.473) 7.783 5.324 ( 2.272 0.000 1.567) 2.759 5.604 ( -0.488 0.000 -4.221) 4.249 5.857 ( 4.390 0.000 0.992) 4.501 6.125 ( 5.107 0.000 1.008) 5.206 6.209 ( 12.979 0.000 18.683) 22.749 7.489 ( 7.570 0.000 7.365) 10.562 8.143 ( -12.252 0.000 -3.051) 12.626 8.480 ( -13.723 0.000 -7.577) 15.676 8.633 ( -7.406 0.000 -13.865) 15.719 8.688 ( -1.932 0.000 -11.269) 11.433 8.817 ( -8.898 0.000 -8.566) 12.351 11.035 ( 10.990 0.000 13.514) 17.419 12.055 ( 41.537 0.000 26.514) 49.278 12.174 ( 23.753 0.000 25.735) 35.021 15.190 ( 25.436 0.000 -3.004) 25.613 15.910 ( -16.424 0.000 -19.784) 25.713 16.214 ( -4.264 0.000 22.918) 23.312 16.905 ( -1.795 0.000 16.911) 17.006 17.698 ( 4.950 0.000 -12.385) 13.338 18.131 ( -3.625 0.000 -1.105) 3.790 19.705 ( 53.693 0.000 -50.069) 73.415 20.312 ( 1.890 0.000 18.959) 19.053 20.815 ( 3.612 0.000 0.049) 3.613 20.922 ( -15.581 0.000 -12.101) 19.728 21.239 ( 19.315 0.000 -2.227) 19.443 21.591 ( 19.446 0.000 -23.001) 30.120 21.977 ( -2.205 0.000 15.957) 16.108 23.842 ( -1.493 0.000 0.046) 1.494 24.552 ( -8.599 0.000 -11.755) 14.564 24.846 ( -8.922 0.000 6.688) 11.150 26.209 ( -6.023 0.000 -5.108) 7.898 26.287 ( -42.105 0.000 50.391) 65.666 26.631 ( -5.577 0.000 2.557) 6.135 27.305 ( -1.559 0.000 0.786) 1.746 27.769 ( -3.758 0.000 1.503) 4.048 33.869 ( -2.177 0.000 -0.737) 2.298 33.911 ( 21.710 0.000 18.288) 28.386 34.314 ( 18.982 0.000 17.782) 26.010 37.101 ( -28.949 0.000 -17.679) 33.920 37.777 ( 1.951 0.000 -0.584) 2.037 38.038 ( -0.218 0.000 -11.104) 11.106 38.204 ( 14.488 0.000 -17.677) 22.856 38.236 ( -0.486 0.000 -1.258) 1.348 41.290 ( 12.223 0.000 15.508) 19.746 41.304 ( -9.050 0.000 3.147) 9.581 42.241 ( -3.928 0.000 -3.081) 4.993 43.304 ( -3.644 0.000 -3.555) 5.091 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 27.807 0.000 21.561) 35.187 2.047 ( 35.928 0.000 16.047) 39.349 2.920 ( 40.946 0.000 24.204) 47.564 3.488 ( 0.857 0.000 -2.184) 2.347 3.549 ( 1.589 0.000 -1.812) 2.410 3.775 ( 2.557 0.000 0.491) 2.603 3.823 ( -0.587 0.000 -0.095) 0.595 3.912 ( -1.129 0.000 -3.259) 3.449 4.045 ( -14.972 0.000 -6.642) 16.380 4.139 ( -16.263 0.000 -3.337) 16.602 4.700 ( -0.170 0.000 -3.717) 3.721 4.718 ( -3.737 0.000 -4.464) 5.822 5.257 ( 3.587 0.000 0.309) 3.601 5.490 ( 11.131 0.000 -2.394) 11.385 5.535 ( -5.757 0.000 -4.276) 7.171 5.858 ( -0.542 0.000 -7.628) 7.647 6.288 ( 12.026 0.000 3.262) 12.461 6.630 ( 25.092 0.000 21.496) 33.041 7.652 ( 7.619 0.000 7.271) 10.532 7.817 ( -18.827 0.000 -3.715) 19.190 8.115 ( -20.977 0.000 -9.510) 23.032 8.435 ( -13.303 0.000 -7.303) 15.176 8.553 ( -13.672 0.000 0.170) 13.673 8.607 ( -6.166 0.000 -4.734) 7.773 11.498 ( 31.912 0.000 -12.470) 34.262 12.828 ( 38.013 0.000 23.786) 44.841 13.037 ( 51.588 0.000 37.768) 63.935 15.462 ( -27.409 0.000 -36.040) 45.279 15.717 ( 13.792 0.000 -2.419) 14.003 16.180 ( 9.534 0.000 20.802) 22.882 16.818 ( -7.101 0.000 28.043) 28.928 17.921 ( 15.183 0.000 -8.834) 17.566 18.019 ( -7.230 0.000 -1.214) 7.331 20.237 ( 5.858 0.000 16.361) 17.378 20.507 ( -3.898 0.000 -15.292) 15.781 20.567 ( 1.507 0.000 -20.313) 20.368 20.924 ( 6.924 0.000 1.808) 7.156 21.725 ( 14.105 0.000 -1.058) 14.144 22.001 ( 17.631 0.000 -39.779) 43.511 22.014 ( 19.270 0.000 13.917) 23.771 23.793 ( -4.609 0.000 -1.706) 4.914 24.287 ( -12.285 0.000 1.476) 12.373 24.734 ( -3.466 0.000 -1.643) 3.836 25.743 ( -13.989 0.000 43.048) 45.264 26.001 ( -14.884 0.000 -4.570) 15.569 26.470 ( -9.982 0.000 3.619) 10.618 27.286 ( -0.394 0.000 0.367) 0.538 27.679 ( -5.158 0.000 1.419) 5.349 33.895 ( 4.871 0.000 -8.120) 9.469 34.534 ( 37.599 0.000 17.394) 41.428 34.803 ( 28.386 0.000 22.034) 35.934 36.418 ( -35.956 0.000 -21.359) 41.821 37.777 ( -4.418 0.000 2.016) 4.856 37.964 ( -4.898 0.000 -1.186) 5.040 38.204 ( -2.479 0.000 0.251) 2.492 38.221 ( -10.764 0.000 -0.698) 10.787 41.249 ( 2.631 0.000 -7.533) 7.979 41.618 ( 18.637 0.000 7.350) 20.034 42.126 ( -7.124 0.000 -3.929) 8.136 43.191 ( -7.309 0.000 -3.688) 8.187 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 24.790 0.000 13.609) 28.280 2.747 ( 31.351 0.000 8.489) 32.480 3.303 ( 2.379 0.000 4.387) 4.991 3.433 ( -5.164 0.000 1.895) 5.500 3.561 ( -3.864 0.000 -2.227) 4.459 3.707 ( -11.383 0.000 -2.550) 11.665 3.761 ( -9.897 0.000 -0.707) 9.922 3.899 ( -7.940 0.000 -1.066) 8.011 3.943 ( 5.445 0.000 4.588) 7.120 4.122 ( 21.244 0.000 -0.808) 21.259 4.673 ( -0.945 0.000 -4.526) 4.624 4.715 ( 1.883 0.000 -2.846) 3.413 5.309 ( 1.873 0.000 -0.909) 2.082 5.480 ( 6.166 0.000 -0.938) 6.237 5.562 ( -4.434 0.000 -1.067) 4.561 6.047 ( 19.269 0.000 -11.665) 22.525 6.619 ( 19.614 0.000 1.551) 19.675 7.149 ( 22.505 0.000 17.244) 28.352 7.329 ( -27.363 0.000 -6.330) 28.086 7.658 ( -21.328 0.000 -10.583) 23.809 7.814 ( 4.870 0.000 7.273) 8.753 8.084 ( -17.933 0.000 -1.294) 17.980 8.325 ( -9.107 0.000 5.285) 10.530 8.427 ( -11.556 0.000 2.068) 11.740 12.257 ( 40.380 0.000 -29.312) 49.897 13.657 ( 41.021 0.000 21.914) 46.507 14.083 ( 46.000 0.000 40.656) 61.391 14.829 ( -30.525 0.000 -39.670) 50.055 15.584 ( -17.666 0.000 14.151) 22.635 16.551 ( -20.065 0.000 38.849) 43.725 16.674 ( 27.982 0.000 3.573) 28.209 17.833 ( -11.002 0.000 -1.157) 11.062 18.312 ( 22.862 0.000 -5.576) 23.532 20.012 ( -26.155 0.000 -5.878) 26.807 20.398 ( 9.142 0.000 2.908) 9.593 20.842 ( 8.521 0.000 -5.460) 10.120 21.093 ( 9.297 0.000 4.258) 10.225 21.687 ( -7.456 0.000 9.453) 12.039 22.300 ( 13.373 0.000 -38.558) 40.811 22.854 ( 50.345 0.000 1.484) 50.367 23.549 ( -19.047 0.000 -1.932) 19.144 24.212 ( 4.556 0.000 -2.860) 5.380 24.652 ( -4.901 0.000 -4.337) 6.544 25.572 ( -27.344 0.000 -3.649) 27.586 25.616 ( 0.398 0.000 31.225) 31.228 26.232 ( -12.921 0.000 6.503) 14.465 27.294 ( 1.337 0.000 0.921) 1.623 27.561 ( -6.059 0.000 1.467) 6.234 34.078 ( 13.190 0.000 -13.510) 18.882 35.396 ( 44.928 0.000 16.369) 47.817 35.452 ( 31.795 0.000 20.861) 38.028 35.682 ( -32.530 0.000 -19.334) 37.842 37.483 ( -22.572 0.000 9.724) 24.578 37.831 ( -26.249 0.000 8.872) 27.708 37.949 ( 2.190 0.000 0.585) 2.266 38.146 ( -3.067 0.000 0.192) 3.073 41.365 ( 7.884 0.000 -10.757) 13.337 41.956 ( -9.182 0.000 -5.358) 10.631 42.018 ( 19.644 0.000 1.223) 19.682 43.003 ( -11.007 0.000 -3.745) 11.627 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 19.806 0.000 7.323) 21.117 3.177 ( -13.565 0.000 2.331) 13.764 3.297 ( 20.946 0.000 3.355) 21.213 3.389 ( 2.195 0.000 2.098) 3.036 3.466 ( -4.684 0.000 -2.889) 5.504 3.561 ( -8.645 0.000 -1.076) 8.712 3.567 ( -0.517 0.000 -0.286) 0.591 3.721 ( -10.862 0.000 1.209) 10.929 4.113 ( 9.971 0.000 5.329) 11.305 4.277 ( -3.515 0.000 0.671) 3.578 4.666 ( 0.524 0.000 -5.019) 5.046 4.704 ( -2.836 0.000 -3.345) 4.386 5.353 ( 2.924 0.000 -1.366) 3.227 5.442 ( -5.696 0.000 -1.490) 5.888 5.945 ( 34.528 0.000 -2.145) 34.595 6.522 ( 25.379 0.000 -11.924) 28.040 6.681 ( -34.390 0.000 -5.864) 34.886 7.050 ( -24.784 0.000 -10.099) 26.763 7.075 ( 23.254 0.000 1.471) 23.301 7.563 ( -23.045 0.000 0.826) 23.060 7.730 ( 20.876 0.000 11.279) 23.729 8.024 ( 6.243 0.000 7.616) 9.848 8.131 ( -17.237 0.000 7.870) 18.949 8.162 ( -7.088 0.000 7.443) 10.278 13.110 ( 41.930 0.000 -39.067) 57.309 13.950 ( -38.733 0.000 -41.173) 56.529 14.457 ( 36.034 0.000 20.038) 41.231 15.114 ( -27.647 0.000 17.898) 32.935 15.171 ( 43.501 0.000 44.380) 62.144 15.986 ( -34.443 0.000 45.362) 56.957 17.186 ( 21.504 0.000 0.258) 21.505 17.563 ( -15.505 0.000 -0.771) 15.525 18.843 ( 28.163 0.000 -4.440) 28.511 19.438 ( -29.103 0.000 -4.691) 29.479 20.638 ( 12.881 0.000 -4.844) 13.761 20.858 ( -6.550 0.000 -3.758) 7.551 21.297 ( 10.313 0.000 6.836) 12.373 21.506 ( -9.769 0.000 8.894) 13.211 22.634 ( 19.988 0.000 -23.114) 30.558 23.095 ( -23.598 0.000 -8.835) 25.198 23.915 ( 50.766 0.000 -0.882) 50.774 24.366 ( 8.593 0.000 -4.624) 9.758 24.529 ( -7.037 0.000 -4.167) 8.178 24.869 ( -40.996 0.000 -2.419) 41.067 25.722 ( 9.156 0.000 20.229) 22.205 25.959 ( -13.091 0.000 11.768) 17.603 27.345 ( 3.635 0.000 1.368) 3.884 27.440 ( -5.494 0.000 1.512) 5.699 34.442 ( 22.270 0.000 -17.174) 28.123 34.985 ( -30.303 0.000 -19.595) 36.086 36.204 ( 36.146 0.000 20.538) 41.573 36.324 ( 44.258 0.000 15.026) 46.740 36.913 ( -32.025 0.000 16.287) 35.929 37.171 ( -37.390 0.000 12.938) 39.566 38.009 ( 3.337 0.000 0.349) 3.355 38.079 ( -3.382 0.000 0.151) 3.385 41.550 ( 9.802 0.000 -9.561) 13.693 41.757 ( -10.073 0.000 -7.343) 12.465 42.406 ( 17.767 0.000 -2.048) 17.885 42.740 ( -14.620 0.000 -3.398) 15.010 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 22.483 28.290) 36.136 1.179 ( 0.000 32.929 24.327) 40.940 2.017 ( 0.000 45.056 51.740) 68.608 3.467 ( 0.000 4.008 -0.025) 4.008 3.626 ( 0.000 -7.889 2.160) 8.179 3.663 ( 0.000 0.920 0.197) 0.941 3.752 ( 0.000 -8.137 -2.928) 8.648 3.908 ( 0.000 -1.360 -6.014) 6.166 4.333 ( 0.000 -2.949 -5.884) 6.581 4.601 ( 0.000 -8.240 -13.497) 15.814 4.623 ( 0.000 -8.089 -0.136) 8.090 4.903 ( 0.000 2.776 -13.175) 13.464 5.194 ( 0.000 6.498 4.058) 7.661 5.516 ( 0.000 13.623 -10.199) 17.018 5.565 ( 0.000 -2.848 6.877) 7.444 5.749 ( 0.000 0.142 20.613) 20.614 5.925 ( 0.000 -7.441 -3.176) 8.090 6.207 ( 0.000 11.145 1.179) 11.207 7.257 ( 0.000 -12.655 10.869) 16.682 8.232 ( 0.000 -4.780 -2.320) 5.313 8.636 ( 0.000 -5.572 -16.014) 16.956 8.651 ( 0.000 -6.471 -17.466) 18.626 8.712 ( 0.000 2.233 -8.332) 8.626 8.855 ( 0.000 -0.907 -11.397) 11.433 11.043 ( 0.000 6.155 35.417) 35.948 11.783 ( 0.000 13.498 13.601) 19.163 11.977 ( 0.000 17.724 22.476) 28.624 15.550 ( 0.000 37.739 -33.895) 50.725 16.246 ( 0.000 -1.215 15.400) 15.448 16.275 ( 0.000 15.750 -10.817) 19.107 16.941 ( 0.000 6.622 17.721) 18.918 17.696 ( 0.000 -45.677 -1.150) 45.692 17.788 ( 0.000 -1.892 -17.285) 17.389 18.267 ( 0.000 -23.273 6.406) 24.138 20.062 ( 0.000 -11.466 27.642) 29.926 20.662 ( 0.000 -11.657 0.859) 11.688 20.912 ( 0.000 7.074 -3.545) 7.912 21.317 ( 0.000 -2.346 -14.791) 14.976 21.947 ( 0.000 41.316 -18.617) 45.317 22.087 ( 0.000 8.593 14.912) 17.211 23.852 ( 0.000 -1.744 0.848) 1.939 24.609 ( 0.000 -2.789 -13.592) 13.875 25.039 ( 0.000 7.396 -2.279) 7.739 26.238 ( 0.000 -3.326 -7.592) 8.289 26.654 ( 0.000 -2.395 3.858) 4.541 27.022 ( 0.000 -1.484 2.270) 2.712 27.333 ( 0.000 -4.146 4.452) 6.084 27.403 ( 0.000 -25.283 23.583) 34.574 33.700 ( 0.000 1.809 18.323) 18.412 34.042 ( 0.000 -2.015 12.890) 13.046 34.110 ( 0.000 16.763 5.441) 17.624 37.510 ( 0.000 2.763 -8.321) 8.767 37.516 ( 0.000 -23.736 -1.045) 23.759 37.823 ( 0.000 -1.676 -7.370) 7.559 37.977 ( 0.000 -0.551 -25.612) 25.618 38.265 ( 0.000 0.570 -13.327) 13.339 41.179 ( 0.000 2.164 19.680) 19.799 41.516 ( 0.000 0.096 7.900) 7.900 42.408 ( 0.000 12.338 -2.714) 12.633 43.330 ( 0.000 -1.397 -3.357) 3.636 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 24.982 8.551 24.384) 35.941 1.509 ( 22.250 24.799 23.576) 40.815 2.444 ( 37.175 40.291 36.413) 65.812 3.462 ( 0.276 3.068 -0.040) 3.080 3.547 ( -4.863 -6.533 -0.848) 8.188 3.720 ( 1.900 -2.770 -0.037) 3.359 3.772 ( 1.288 -7.308 -3.171) 8.069 3.905 ( -0.718 -0.466 -4.325) 4.409 4.259 ( -6.760 -2.161 -5.590) 9.034 4.484 ( -11.034 -3.406 -10.419) 15.553 4.636 ( 0.133 -8.016 -2.366) 8.359 4.777 ( -8.233 -1.183 -2.302) 8.630 5.264 ( 5.895 7.551 -3.765) 10.292 5.438 ( -2.146 10.752 -4.258) 11.762 5.562 ( -1.578 -3.959 -1.131) 4.409 5.912 ( 9.665 1.294 9.261) 13.448 6.055 ( 9.547 -2.280 1.495) 9.929 6.239 ( 6.398 5.184 9.923) 12.895 7.348 ( 7.336 -13.770 9.370) 18.200 8.106 ( -11.472 -4.180 -2.141) 12.396 8.477 ( -12.842 -2.057 -12.401) 17.970 8.607 ( -7.951 -1.890 -6.060) 10.175 8.644 ( -3.617 -3.344 -14.433) 15.250 8.784 ( -7.527 -3.186 -8.722) 11.953 11.162 ( 14.423 12.655 15.871) 24.901 12.143 ( 29.154 1.198 23.197) 37.276 12.323 ( 32.266 23.032 23.022) 45.843 15.518 ( 5.326 23.545 -12.846) 27.345 15.944 ( -17.644 3.123 -18.797) 25.969 16.314 ( -2.274 12.007 22.320) 25.446 16.924 ( -2.578 1.391 19.892) 20.106 17.663 ( -1.455 -31.903 -5.816) 32.461 17.744 ( 7.126 -7.831 -9.467) 14.203 19.396 ( 65.973 -32.642 -32.604) 80.505 20.093 ( 2.960 -9.915 25.257) 27.295 20.710 ( 4.879 -10.721 0.886) 11.813 20.909 ( -1.913 5.888 -5.006) 7.962 21.178 ( -7.841 -1.255 -6.143) 10.040 22.031 ( -0.131 14.104 5.900) 15.289 22.166 ( 12.961 28.709 -15.340) 35.035 23.834 ( -1.454 -2.098 -0.089) 2.554 24.581 ( -3.661 -0.249 -15.298) 15.732 24.895 ( -11.715 7.233 4.400) 14.454 26.163 ( -8.597 -2.168 -0.766) 8.899 26.431 ( -31.779 10.122 28.269) 43.721 26.603 ( -6.039 -1.627 6.279) 8.863 27.248 ( -1.309 -5.897 0.908) 6.109 27.589 ( 2.679 -14.731 5.183) 15.844 33.923 ( 20.529 1.627 17.108) 26.773 33.980 ( -0.061 9.600 0.516) 9.614 34.349 ( 17.923 5.353 17.500) 25.615 37.129 ( -28.295 2.583 -17.609) 33.426 37.553 ( 1.366 -24.131 1.653) 24.226 37.897 ( 1.841 -14.697 -6.874) 16.329 38.055 ( 2.342 -1.377 -11.384) 11.704 38.310 ( 1.421 0.249 -11.330) 11.422 41.308 ( 11.722 2.068 15.073) 19.206 41.432 ( -4.144 8.384 3.015) 9.826 42.369 ( -3.745 12.507 -2.971) 13.389 43.292 ( -3.647 -1.377 -3.441) 5.200 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 33.396 -3.789 15.687) 37.091 1.995 ( 24.645 16.355 18.635) 34.959 3.249 ( 27.550 25.549 17.721) 41.542 3.463 ( -0.516 -3.854 -2.828) 4.808 3.511 ( 7.316 -1.196 0.762) 7.452 3.724 ( -0.028 -3.395 0.073) 3.396 3.785 ( -0.168 -6.921 -3.476) 7.746 3.858 ( -4.383 -0.669 -1.240) 4.604 4.091 ( -8.626 1.656 -4.218) 9.744 4.191 ( -13.435 5.541 -3.699) 14.996 4.622 ( -1.711 -8.882 -2.873) 9.491 4.660 ( -2.707 -4.360 -1.740) 5.419 5.275 ( -5.173 -0.878 -1.015) 5.344 5.537 ( 5.205 3.679 -4.149) 7.606 5.574 ( 9.089 6.130 -6.155) 12.573 5.977 ( -1.510 11.709 -4.212) 12.535 6.279 ( 14.034 0.539 2.394) 14.247 6.587 ( 23.960 -4.766 20.757) 32.057 7.517 ( 8.692 -13.700 8.843) 18.478 7.797 ( -18.259 -2.411 -4.040) 18.855 8.126 ( -20.650 0.934 -10.415) 23.147 8.416 ( -10.988 -3.645 -3.966) 12.237 8.445 ( -14.775 -5.442 -2.866) 16.004 8.625 ( -7.542 -1.661 -5.124) 9.268 11.653 ( 31.907 15.774 -8.776) 36.659 12.848 ( 38.582 1.054 23.044) 44.953 13.178 ( 47.454 15.337 33.672) 60.174 15.487 ( -26.654 2.498 -34.959) 44.031 15.717 ( 4.855 -0.535 -3.255) 5.870 16.313 ( 7.084 12.657 22.862) 27.075 16.832 ( -7.445 0.901 28.735) 29.698 17.613 ( -3.835 -37.010 -1.689) 37.247 18.012 ( 17.898 8.271 -9.184) 21.751 20.171 ( 5.443 -10.916 13.771) 18.396 20.427 ( 31.986 -10.987 -23.949) 41.441 20.669 ( -19.361 11.237 -6.064) 23.193 20.829 ( 5.184 -6.917 0.317) 8.650 21.375 ( 28.432 -20.959 -4.361) 35.591 21.988 ( -2.564 10.823 10.100) 15.024 22.487 ( 16.605 25.017 -22.344) 37.428 23.805 ( -1.774 -1.761 -3.554) 4.345 24.394 ( -13.343 10.193 -5.213) 17.582 24.715 ( -4.539 -1.585 -1.157) 4.945 25.850 ( -14.869 10.973 35.397) 39.931 26.032 ( -14.792 1.997 -5.868) 16.039 26.439 ( -10.127 -1.938 6.740) 12.318 27.229 ( -0.618 -5.995 0.501) 6.047 27.564 ( -3.813 -11.247 2.908) 12.227 34.024 ( 5.529 13.206 -8.421) 16.609 34.537 ( 36.954 0.384 16.956) 40.660 34.823 ( 27.911 2.422 22.609) 36.000 36.464 ( -34.859 4.811 -20.802) 40.878 37.586 ( 1.552 -23.716 2.196) 23.868 37.855 ( -6.875 -12.398 -3.890) 14.701 37.997 ( -6.202 -11.371 1.439) 13.032 38.208 ( -12.182 -1.867 0.078) 12.325 41.412 ( 3.044 13.449 -6.087) 15.072 41.636 ( 18.272 1.833 6.878) 19.609 42.259 ( -6.797 12.962 -3.731) 15.104 43.181 ( -7.217 -1.262 -3.638) 8.180 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 22.384 10.612 13.021) 27.986 2.608 ( 29.732 -9.133 8.208) 32.168 3.340 ( -1.571 -1.312 -1.383) 2.470 3.454 ( -4.042 0.079 -1.476) 4.304 3.556 ( -6.107 -0.255 0.626) 6.144 3.715 ( -6.892 -1.703 -0.188) 7.102 3.730 ( -6.618 -0.914 -1.367) 6.819 3.826 ( 0.245 -3.180 3.816) 4.973 3.947 ( -4.624 0.906 -0.676) 4.761 4.218 ( 9.631 7.291 -0.639) 12.097 4.611 ( 0.312 -6.380 -0.979) 6.462 4.633 ( -0.671 -8.197 -3.183) 8.819 5.264 ( 10.212 1.058 2.625) 10.597 5.610 ( 5.395 10.649 -5.548) 13.164 5.745 ( 0.281 16.300 -0.111) 16.303 6.078 ( 16.577 3.365 -12.517) 21.043 6.630 ( 19.849 1.421 2.412) 20.045 7.092 ( 20.797 -5.815 16.047) 26.904 7.358 ( -22.424 2.235 -5.218) 23.131 7.661 ( -21.738 -0.336 -9.978) 23.921 7.693 ( 5.989 -11.896 6.903) 15.001 8.068 ( -19.176 -1.312 -1.099) 19.252 8.212 ( -9.825 -9.275 5.789) 14.699 8.428 ( -12.035 -2.103 0.995) 12.258 12.400 ( 39.297 14.745 -25.791) 49.263 13.675 ( 40.406 1.226 20.949) 45.530 14.154 ( 43.015 7.754 37.453) 57.559 14.880 ( -28.714 5.343 -37.228) 47.318 15.570 ( -16.247 -1.893 10.930) 19.672 16.552 ( -17.510 0.111 37.003) 40.937 16.642 ( 17.134 -2.937 9.529) 19.824 17.498 ( -7.461 -31.313 -0.565) 32.195 18.457 ( 24.958 14.234 -5.049) 29.172 20.151 ( -21.437 10.068 -3.432) 23.931 20.367 ( 5.194 -3.443 2.483) 6.708 20.806 ( 4.157 -3.645 -4.163) 6.921 20.989 ( 14.729 -7.943 3.359) 17.068 21.806 ( -2.777 11.548 3.955) 12.518 22.176 ( 28.407 -12.309 -26.198) 40.556 22.917 ( 28.845 9.629 -2.906) 30.548 23.661 ( -14.596 6.613 -9.547) 18.653 24.219 ( -1.083 2.046 3.242) 3.984 24.650 ( -2.348 -1.301 -11.631) 11.937 25.609 ( -18.645 5.297 11.786) 22.685 25.707 ( -7.567 7.251 12.599) 16.388 26.199 ( -12.865 -1.926 9.847) 16.315 27.229 ( 0.867 -6.769 1.193) 6.928 27.463 ( -5.508 -10.065 2.485) 11.740 34.212 ( 13.020 14.061 -13.513) 23.449 35.384 ( 43.836 -1.152 15.594) 46.541 35.470 ( 33.553 1.888 22.222) 40.289 35.751 ( -32.526 7.386 -19.417) 38.594 37.480 ( -19.510 -2.094 8.623) 21.433 37.694 ( -0.692 -24.011 0.710) 24.032 37.787 ( -23.519 -8.463 6.293) 25.776 37.917 ( -6.169 -17.207 2.436) 18.441 41.527 ( 7.595 14.553 -9.386) 18.909 42.026 ( 17.840 1.488 0.198) 17.903 42.100 ( -7.353 13.131 -4.374) 15.673 42.995 ( -10.807 -0.948 -3.763) 11.483 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 17.997 6.384 7.020) 20.346 3.120 ( 18.413 -10.141 2.987) 21.232 3.212 ( -11.644 3.057 2.951) 12.395 3.378 ( -4.573 -5.883 -2.350) 7.813 3.443 ( -1.057 -2.232 -0.838) 2.608 3.541 ( -7.815 -2.519 -2.417) 8.559 3.655 ( 0.653 7.937 1.408) 8.087 3.761 ( -7.382 3.245 1.182) 8.150 3.995 ( 9.178 -10.360 4.246) 14.477 4.200 ( -8.473 -7.841 1.151) 11.602 4.597 ( -0.705 -7.021 -2.679) 7.548 4.604 ( -1.319 -8.645 -3.755) 9.518 5.518 ( 7.178 15.961 -0.661) 17.513 5.630 ( -4.751 17.623 -1.490) 18.313 6.031 ( 31.688 8.636 -3.414) 33.020 6.524 ( 21.919 0.534 -11.741) 24.871 6.738 ( -28.839 5.302 -8.172) 30.440 7.063 ( -10.418 1.369 -6.484) 12.347 7.090 ( 8.342 1.757 -1.048) 8.589 7.552 ( -19.443 -1.418 2.552) 19.661 7.685 ( 18.290 -4.569 11.155) 21.905 7.913 ( 6.402 -11.186 7.241) 14.783 8.018 ( -10.190 -9.841 9.538) 17.078 8.136 ( -15.217 -4.545 5.828) 16.917 13.225 ( 40.335 11.945 -35.914) 55.312 14.027 ( -36.396 7.965 -38.043) 53.248 14.464 ( 34.668 0.283 18.666) 39.375 15.054 ( -9.282 -3.949 21.836) 24.053 15.269 ( 23.998 7.715 36.304) 44.197 16.005 ( -33.181 2.039 43.965) 55.118 17.015 ( 16.385 -16.023 2.541) 23.058 17.303 ( -11.677 -24.470 0.440) 27.117 19.013 ( 28.583 15.900 -2.826) 32.829 19.606 ( -28.563 14.957 -2.477) 32.337 20.567 ( 10.826 -8.084 -1.997) 13.658 20.758 ( -6.770 -9.365 -0.919) 11.592 21.321 ( 15.872 3.847 2.876) 16.583 21.620 ( -12.736 12.041 2.379) 17.687 22.709 ( 24.157 4.813 -25.090) 35.160 23.195 ( -21.328 8.254 -11.011) 25.382 23.702 ( 33.777 -12.818 1.946) 36.180 24.182 ( -9.423 -15.271 5.026) 18.635 24.683 ( 9.090 11.840 -14.901) 21.091 25.081 ( -27.092 13.184 -6.930) 30.916 25.735 ( 6.640 3.008 21.988) 23.165 25.936 ( -12.049 -0.743 15.182) 19.397 27.269 ( 3.050 -7.924 1.856) 8.691 27.353 ( -4.952 -9.104 2.256) 10.607 34.565 ( 21.395 13.004 -16.787) 30.144 35.086 ( -28.984 10.614 -18.976) 36.232 36.215 ( 36.330 1.090 20.267) 41.615 36.305 ( 43.584 -2.009 14.540) 45.989 36.926 ( -31.961 1.209 15.936) 35.734 37.141 ( -36.901 -3.482 11.802) 38.898 37.748 ( 3.556 -25.774 0.551) 26.024 37.827 ( -3.966 -24.180 0.552) 24.510 41.706 ( 9.442 14.485 -8.705) 19.359 41.904 ( -9.673 14.046 -6.900) 18.397 42.410 ( 17.386 0.353 -2.217) 17.530 42.737 ( -14.318 -0.401 -3.495) 14.744 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 36.949 5.001) 37.286 1.857 ( 0.000 36.895 13.360) 39.239 2.916 ( 0.000 46.504 33.787) 57.482 3.425 ( 0.000 -12.174 4.285) 12.906 3.461 ( 0.000 -21.199 -8.203) 22.731 3.607 ( 0.000 9.972 -0.565) 9.988 3.699 ( 0.000 2.923 -3.581) 4.623 3.939 ( 0.000 3.062 -0.959) 3.209 4.233 ( 0.000 -7.483 -5.708) 9.411 4.424 ( 0.000 -9.980 -4.049) 10.770 4.447 ( 0.000 -9.199 3.585) 9.873 4.893 ( 0.000 -5.402 -8.199) 9.819 5.283 ( 0.000 3.833 4.720) 6.081 5.488 ( 0.000 -5.192 5.883) 7.847 5.633 ( 0.000 -1.179 -16.471) 16.513 5.712 ( 0.000 -3.697 14.860) 15.313 5.931 ( 0.000 8.311 2.163) 8.588 6.482 ( 0.000 12.304 -6.330) 13.837 6.996 ( 0.000 -8.809 14.402) 16.882 8.070 ( 0.000 -13.912 -0.570) 13.923 8.515 ( 0.000 -5.919 -17.251) 18.238 8.529 ( 0.000 -5.052 -14.510) 15.364 8.748 ( 0.000 1.263 -6.957) 7.071 8.832 ( 0.000 -1.539 -10.632) 10.743 11.222 ( 0.000 11.864 30.197) 32.444 11.782 ( 0.000 -5.077 24.410) 24.933 12.766 ( 0.000 55.622 9.155) 56.371 15.948 ( 0.000 7.341 -23.571) 24.688 16.229 ( 0.000 -0.523 2.851) 2.899 16.549 ( 0.000 -30.110 -2.500) 30.213 16.763 ( 0.000 -8.784 -9.512) 12.947 17.080 ( 0.000 7.089 26.031) 26.979 17.734 ( 0.000 -3.707 -19.848) 20.191 17.898 ( 0.000 -15.075 12.475) 19.567 19.944 ( 0.000 -2.473 17.832) 18.003 20.387 ( 0.000 -16.120 4.832) 16.828 21.057 ( 0.000 6.477 -5.197) 8.305 21.265 ( 0.000 -2.952 -12.148) 12.502 22.302 ( 0.000 13.676 14.507) 19.937 22.553 ( 0.000 22.745 -5.140) 23.318 23.807 ( 0.000 -0.931 -1.741) 1.975 24.477 ( 0.000 -11.130 -11.661) 16.120 25.266 ( 0.000 15.798 -7.173) 17.350 26.127 ( 0.000 -9.036 -12.787) 15.657 26.644 ( 0.000 2.463 7.107) 7.521 26.977 ( 0.000 -3.463 1.837) 3.920 27.128 ( 0.000 -6.520 17.692) 18.855 27.229 ( 0.000 -6.310 6.265) 8.892 33.751 ( 0.000 3.482 17.323) 17.669 33.989 ( 0.000 -3.615 13.663) 14.133 34.562 ( 0.000 30.905 5.046) 31.314 36.887 ( 0.000 -40.745 1.895) 40.789 37.568 ( 0.000 3.456 -8.077) 8.785 37.778 ( 0.000 -3.032 -7.622) 8.203 38.005 ( 0.000 3.041 -26.603) 26.776 38.237 ( 0.000 -3.082 -19.884) 20.122 41.237 ( 0.000 3.928 19.076) 19.476 41.485 ( 0.000 -3.082 13.909) 14.246 42.688 ( 0.000 15.904 -2.630) 16.120 43.280 ( 0.000 -4.100 -3.060) 5.116 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 7.965 30.138 7.740) 32.120 2.067 ( 14.798 32.216 15.213) 38.578 3.216 ( 21.803 27.104 17.083) 38.753 3.349 ( -0.427 -4.226 4.294) 6.040 3.503 ( 0.161 -8.206 -0.955) 8.262 3.593 ( 0.130 -0.084 -2.937) 2.941 3.718 ( 1.177 2.742 -2.582) 3.946 3.934 ( -1.582 1.729 -0.248) 2.357 4.188 ( -3.147 -3.859 -3.848) 6.293 4.401 ( -4.057 -5.072 -2.155) 6.843 4.429 ( -0.485 -12.331 0.047) 12.341 4.765 ( -9.944 -1.275 -1.009) 10.076 5.354 ( 3.656 1.802 -7.195) 8.270 5.461 ( -2.606 -4.676 3.896) 6.621 5.609 ( 0.947 4.509 -12.847) 13.648 5.857 ( 13.539 -5.917 13.775) 20.201 6.067 ( 12.361 3.922 8.829) 15.688 6.471 ( -1.196 14.780 -5.922) 15.967 7.054 ( 5.274 -12.861 13.707) 19.522 7.956 ( -10.086 -12.738 -1.068) 16.283 8.412 ( -8.048 -2.980 -13.937) 16.368 8.554 ( -1.286 -6.042 -14.434) 15.700 8.603 ( -12.241 0.951 -4.058) 12.931 8.722 ( -9.644 -2.934 -8.087) 12.924 11.448 ( 21.128 16.262 20.064) 33.368 12.099 ( 28.348 -5.113 23.295) 37.046 13.010 ( 22.630 48.189 13.549) 54.935 15.799 ( -9.293 5.375 -16.039) 19.300 15.998 ( -17.752 1.900 -17.157) 24.761 16.578 ( -4.770 -44.181 6.303) 44.883 16.664 ( 2.031 12.117 16.982) 20.960 17.085 ( -1.874 -1.147 23.053) 23.157 17.799 ( 15.437 5.363 -17.840) 24.194 18.766 ( 56.421 -30.294 -7.636) 64.493 20.011 ( 7.351 -0.947 13.585) 15.475 20.452 ( 6.980 -15.137 3.602) 17.054 21.029 ( -2.633 5.053 -4.245) 7.106 21.161 ( -9.165 -0.932 -7.084) 11.621 22.297 ( -0.087 16.167 13.416) 21.008 22.673 ( 10.394 20.805 -10.542) 25.535 23.770 ( -3.242 -2.428 -1.704) 4.394 24.464 ( -1.272 -11.596 -13.175) 17.597 25.142 ( -11.351 17.460 -4.275) 21.260 26.078 ( -4.773 -8.650 -11.764) 15.362 26.554 ( -12.593 4.498 10.460) 16.977 26.687 ( -15.147 9.993 15.720) 24.009 27.096 ( -1.358 -9.671 2.000) 9.969 27.329 ( 2.145 -12.433 7.490) 14.672 33.963 ( 20.176 2.701 16.719) 26.342 34.099 ( 9.863 1.396 7.836) 12.674 34.637 ( 8.093 26.500 9.975) 29.449 36.894 ( 0.326 -39.303 0.897) 39.314 37.231 ( -25.640 3.824 -14.907) 29.904 37.655 ( -9.058 -10.702 -8.132) 16.209 38.075 ( 0.955 2.533 -12.476) 12.767 38.278 ( 0.188 -2.994 -11.911) 12.283 41.363 ( 11.579 3.665 14.406) 18.842 41.524 ( 3.815 1.378 7.255) 8.311 42.651 ( -3.465 16.030 -2.849) 16.646 43.244 ( -3.544 -4.017 -3.202) 6.240 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 22.055 13.720 7.504) 27.037 2.401 ( 17.286 24.965 14.828) 33.792 3.226 ( -3.173 -16.292 -3.858) 17.041 3.475 ( -1.556 -0.650 -0.226) 1.701 3.598 ( 0.482 -8.973 -4.055) 9.858 3.680 ( -0.403 3.856 1.958) 4.344 3.768 ( 1.331 1.740 -1.592) 2.708 3.881 ( 4.574 8.474 4.709) 10.720 4.157 ( -3.391 7.101 2.882) 8.381 4.307 ( 1.422 7.492 -1.885) 7.856 4.411 ( -1.327 -12.165 -1.159) 12.292 4.576 ( -7.102 -3.520 2.125) 8.206 5.237 ( -5.037 0.242 2.986) 5.861 5.634 ( 13.750 4.466 -9.811) 17.472 5.699 ( 7.444 6.430 -13.143) 16.416 6.175 ( 12.573 4.579 9.966) 16.685 6.388 ( 14.797 5.605 6.893) 17.259 6.479 ( 9.151 1.421 5.323) 10.682 7.195 ( 7.997 -17.838 12.586) 23.250 7.697 ( -14.616 -9.286 -3.558) 17.678 8.145 ( -18.357 1.134 -12.084) 22.006 8.313 ( -14.668 -3.935 -0.739) 15.204 8.400 ( -13.996 -1.915 -6.147) 15.406 8.540 ( -7.608 -6.506 -4.906) 11.148 12.030 ( 33.808 22.173 1.137) 40.447 12.827 ( 40.107 -3.977 21.206) 45.542 13.629 ( 35.827 32.936 23.092) 53.866 15.536 ( -23.111 1.224 -29.063) 37.152 15.688 ( -7.016 -2.268 -9.201) 11.791 16.493 ( -1.575 -15.149 15.318) 21.601 16.700 ( -1.027 -10.766 19.168) 22.009 17.003 ( -6.063 -8.970 23.625) 25.988 18.247 ( 25.867 16.525 -10.501) 32.441 19.717 ( 28.817 -31.574 -1.145) 42.763 20.334 ( 25.666 -0.064 -1.861) 25.733 20.673 ( 8.585 -7.765 -4.888) 12.565 20.866 ( -12.603 6.085 -3.348) 14.390 21.092 ( 11.759 -9.662 2.091) 15.362 22.299 ( -0.345 20.886 8.756) 22.650 22.924 ( 13.095 20.107 -16.609) 29.182 23.696 ( -3.479 -7.440 -2.145) 8.489 24.427 ( -2.030 -10.778 -16.955) 20.193 24.846 ( -16.196 17.999 1.513) 24.260 25.928 ( -10.272 -9.824 -11.605) 18.349 26.171 ( -17.832 17.166 22.608) 33.523 26.487 ( -9.358 8.131 10.694) 16.372 27.066 ( -1.464 -11.111 1.224) 11.273 27.303 ( -3.751 -15.540 5.968) 17.064 34.329 ( 11.757 15.959 -6.293) 20.797 34.546 ( 35.038 0.491 15.509) 38.320 34.943 ( 22.363 13.128 21.234) 33.516 36.592 ( -30.628 8.010 -18.865) 36.853 36.961 ( 1.772 -39.104 2.397) 39.217 37.471 ( -8.760 -21.799 -7.089) 24.539 37.961 ( -12.123 2.011 1.218) 12.349 38.158 ( -12.348 -3.310 0.295) 12.787 41.627 ( 8.453 7.990 -1.253) 11.699 41.684 ( 16.226 3.084 4.982) 17.252 42.549 ( -6.374 16.314 -3.490) 17.859 43.136 ( -6.943 -3.762 -3.522) 8.646 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 24.420 1.685 5.283) 25.042 2.753 ( 16.455 17.435 10.654) 26.235 3.207 ( 1.569 -11.933 -4.306) 12.783 3.440 ( -3.290 -1.081 -2.565) 4.310 3.553 ( -9.632 0.316 0.612) 9.656 3.577 ( -2.077 -8.166 2.485) 8.785 3.660 ( -4.200 -5.544 -3.586) 7.825 3.910 ( -4.095 4.053 2.465) 6.267 3.992 ( -7.965 4.342 -0.874) 9.113 4.286 ( -9.295 -0.615 -0.057) 9.316 4.395 ( -1.062 -13.555 0.244) 13.599 4.513 ( -2.099 -5.109 -0.049) 5.523 5.458 ( 26.056 19.401 6.338) 33.098 5.827 ( 8.037 11.586 -11.361) 18.107 6.012 ( 17.939 7.083 -9.084) 21.319 6.237 ( -0.259 16.543 -3.980) 17.017 6.686 ( 18.638 4.824 4.301) 19.726 6.925 ( 22.843 -12.659 15.414) 30.325 7.324 ( -6.284 -14.449 0.818) 15.777 7.407 ( -1.688 -8.205 3.843) 9.217 7.694 ( -24.438 2.887 -12.522) 27.611 8.011 ( -14.763 -7.686 5.007) 17.381 8.065 ( -17.410 -2.145 0.350) 17.545 8.331 ( -13.245 -7.677 0.561) 15.319 12.774 ( 37.507 23.586 -15.632) 46.984 13.666 ( 40.013 -3.154 18.039) 44.004 14.382 ( 32.209 16.618 27.000) 45.195 15.017 ( -23.262 8.472 -29.254) 38.324 15.500 ( -12.307 -5.257 1.635) 13.483 16.503 ( -5.625 -17.135 17.526) 25.148 16.571 ( -5.450 0.556 27.086) 27.635 16.875 ( -5.169 -25.234 12.461) 28.614 18.798 ( 27.160 21.023 -2.594) 34.444 20.076 ( 11.603 -17.838 2.322) 21.406 20.416 ( -21.035 7.485 1.223) 22.360 20.721 ( -4.310 -4.917 -2.699) 7.074 20.935 ( 26.014 3.702 -0.305) 26.277 21.766 ( 42.781 -18.323 -15.051) 48.913 22.236 ( -6.720 22.123 -1.076) 23.146 23.215 ( 16.381 19.986 -8.793) 27.296 23.597 ( -8.457 -12.913 -9.136) 17.936 24.379 ( -6.106 8.471 -7.350) 12.769 24.562 ( -5.707 -2.621 -5.132) 8.110 25.612 ( -20.031 -9.955 -10.348) 24.647 25.933 ( -5.456 18.945 22.673) 30.046 26.268 ( -11.516 10.641 13.025) 20.384 27.044 ( -0.485 -12.892 2.144) 13.078 27.206 ( -5.104 -16.600 5.288) 18.154 34.583 ( 13.793 24.254 -13.362) 30.936 35.352 ( 41.811 -2.506 13.145) 43.900 35.530 ( 33.351 5.129 24.001) 41.409 35.958 ( -29.644 14.593 -18.031) 37.641 37.028 ( 4.328 -38.527 2.690) 38.862 37.280 ( -10.708 -28.141 -6.690) 30.843 37.591 ( -23.247 0.289 10.335) 25.443 37.785 ( -22.941 -3.808 9.440) 25.098 41.804 ( 9.294 13.008 -6.529) 17.269 42.051 ( 18.082 1.090 -0.116) 18.116 42.396 ( -8.375 16.466 -4.460) 19.004 42.959 ( -10.246 -3.198 -3.826) 11.395 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 19.064 -3.228 2.486) 19.494 3.059 ( 12.973 10.011 5.360) 17.241 3.264 ( -0.754 -5.132 -3.881) 6.478 3.297 ( -9.571 3.804 1.414) 10.396 3.363 ( -4.960 -3.879 1.134) 6.399 3.462 ( -7.728 -5.597 -2.471) 9.856 3.703 ( 5.966 -8.076 1.559) 10.161 3.810 ( -4.643 1.254 2.584) 5.459 3.887 ( -0.384 2.970 0.570) 3.048 4.036 ( -12.483 -5.954 2.420) 14.040 4.400 ( 1.525 -11.602 -1.236) 11.767 4.450 ( -3.076 -9.094 -1.358) 9.695 5.893 ( 9.614 22.399 -1.532) 24.423 6.012 ( -0.249 21.036 -2.924) 21.240 6.242 ( 23.391 13.159 -5.836) 27.465 6.543 ( 20.890 1.373 -11.580) 23.925 6.836 ( -20.097 3.538 -12.089) 23.719 7.102 ( 12.642 2.842 2.730) 13.242 7.149 ( -17.623 4.671 -7.057) 19.550 7.463 ( 4.162 -11.197 7.523) 14.117 7.561 ( 12.269 -9.687 11.970) 19.688 7.685 ( -6.955 -7.426 5.231) 11.440 7.788 ( -10.215 -13.926 8.847) 19.405 7.995 ( -19.185 -9.767 6.117) 22.380 13.537 ( 36.263 20.408 -26.741) 49.463 14.230 ( -26.246 12.414 -27.044) 39.678 14.446 ( 27.721 -2.460 11.649) 30.169 14.961 ( -13.047 -6.665 12.516) 19.269 15.450 ( 24.136 11.830 31.636) 41.513 16.063 ( -28.518 4.110 39.206) 48.655 16.661 ( 6.181 -21.217 7.718) 23.408 16.778 ( -5.004 -27.539 6.912) 28.830 19.354 ( 26.959 18.935 1.093) 32.962 19.897 ( -25.287 14.510 1.502) 29.193 20.339 ( 10.839 -15.237 2.984) 18.935 20.558 ( -9.895 -11.129 1.808) 15.001 21.484 ( 25.499 13.724 -4.981) 29.383 21.942 ( -18.124 21.583 -6.134) 28.843 22.631 ( 35.848 -15.038 -22.123) 44.728 23.246 ( -23.270 -8.558 -16.792) 29.945 23.647 ( 22.197 9.363 2.001) 24.174 24.086 ( -18.891 9.638 7.329) 22.438 24.730 ( 17.080 -8.210 -15.841) 24.700 25.159 ( -22.951 -7.194 -11.797) 26.790 25.911 ( 3.014 16.491 20.356) 26.371 26.044 ( -9.415 13.741 17.110) 23.879 27.054 ( 1.577 -14.810 3.385) 15.274 27.110 ( -3.884 -16.232 4.500) 17.286 34.919 ( 19.282 24.206 -15.766) 34.731 35.378 ( -25.268 20.283 -17.237) 36.701 36.209 ( 39.112 -4.790 10.999) 40.911 36.276 ( 38.007 1.400 19.859) 42.905 36.913 ( -27.751 -10.668 4.264) 30.035 37.021 ( -30.930 -5.992 12.028) 33.722 37.150 ( 5.320 -34.351 3.289) 34.916 37.346 ( -14.924 -20.084 9.552) 26.784 42.004 ( 9.976 15.352 -6.988) 19.597 42.206 ( -9.433 16.253 -6.047) 19.741 42.411 ( 16.090 -0.627 -2.733) 16.332 42.716 ( -13.432 -2.184 -3.795) 14.128 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.000 35.373 -4.136) 35.614 2.513 ( 0.000 31.985 7.558) 32.865 2.982 ( 0.000 -29.362 -7.729) 30.362 3.032 ( 0.000 -22.366 3.878) 22.700 3.728 ( 0.000 20.636 7.786) 22.056 3.774 ( 0.000 4.564 -6.538) 7.974 3.825 ( 0.000 13.825 2.742) 14.095 3.967 ( 0.000 -2.055 -0.389) 2.091 4.145 ( 0.000 6.501 5.280) 8.375 4.266 ( 0.000 -5.008 1.363) 5.190 4.319 ( 0.000 -2.929 6.021) 6.695 4.631 ( 0.000 -23.234 11.348) 25.857 5.344 ( 0.000 2.690 1.192) 2.942 5.397 ( 0.000 -3.694 -0.080) 3.695 5.606 ( 0.000 -0.131 -12.164) 12.165 5.639 ( 0.000 -3.348 -0.048) 3.349 6.133 ( 0.000 12.382 4.832) 13.291 6.394 ( 0.000 -14.677 2.525) 14.893 7.214 ( 0.000 25.043 5.043) 25.546 7.701 ( 0.000 -24.377 0.571) 24.383 8.451 ( 0.000 -1.175 -14.548) 14.596 8.460 ( 0.000 -2.126 -13.803) 13.966 8.771 ( 0.000 1.375 -7.952) 8.070 8.801 ( 0.000 -1.693 -9.421) 9.572 11.452 ( 0.000 11.825 27.181) 29.642 11.649 ( 0.000 -8.914 25.728) 27.229 13.940 ( 0.000 67.622 5.575) 67.852 15.242 ( 0.000 -68.708 2.722) 68.761 16.178 ( 0.000 2.874 -17.808) 18.039 16.218 ( 0.000 -1.064 -8.935) 8.998 17.035 ( 0.000 13.190 6.574) 14.738 17.161 ( 0.000 -0.006 26.489) 26.489 17.666 ( 0.000 -2.371 -18.239) 18.393 17.698 ( 0.000 -6.266 -0.040) 6.266 19.957 ( 0.000 4.161 13.871) 14.481 20.110 ( 0.000 -12.103 9.789) 15.567 21.149 ( 0.000 3.726 -7.106) 8.024 21.209 ( 0.000 -2.948 -9.555) 10.000 22.570 ( 0.000 13.665 14.333) 19.803 22.745 ( 0.000 -2.167 10.044) 10.275 23.914 ( 0.000 12.844 -10.043) 16.304 24.211 ( 0.000 -16.405 -11.752) 20.180 25.589 ( 0.000 17.593 -10.669) 20.575 25.899 ( 0.000 -14.811 -13.005) 19.710 26.743 ( 0.000 7.270 4.957) 8.799 26.883 ( 0.000 -6.691 2.203) 7.044 27.079 ( 0.000 0.287 11.573) 11.577 27.123 ( 0.000 -4.292 8.836) 9.824 33.826 ( 0.000 4.427 16.088) 16.686 33.911 ( 0.000 -4.476 14.797) 15.459 35.245 ( 0.000 40.988 4.164) 41.199 36.065 ( 0.000 -45.089 3.086) 45.194 37.639 ( 0.000 3.956 -7.847) 8.788 37.713 ( 0.000 -3.825 -7.735) 8.629 38.078 ( 0.000 4.416 -25.092) 25.478 38.163 ( 0.000 -4.504 -22.904) 23.343 41.321 ( 0.000 4.823 18.165) 18.794 41.411 ( 0.000 -4.599 16.703) 17.324 42.966 ( 0.000 13.057 -2.674) 13.328 43.166 ( 0.000 -8.264 -2.827) 8.734 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.11 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.791 32.920 -1.943) 32.987 2.659 ( 9.946 29.542 8.546) 32.321 2.886 ( -4.136 -27.040 -4.694) 27.754 3.156 ( 6.903 -22.603 2.421) 23.757 3.693 ( -5.194 7.539 -4.388) 10.152 3.795 ( -0.633 0.626 -4.651) 4.735 3.810 ( -0.833 9.703 1.904) 9.923 3.935 ( -1.608 -1.753 1.670) 2.906 4.245 ( 4.917 2.751 3.258) 6.509 4.294 ( 5.866 5.929 4.905) 9.676 4.311 ( 0.447 3.860 6.835) 7.863 4.662 ( 0.014 -12.302 5.355) 13.417 5.345 ( -2.959 -0.367 0.737) 3.071 5.391 ( 5.309 -4.083 6.083) 9.047 5.650 ( 5.042 1.513 -14.242) 15.184 5.715 ( 8.440 -6.475 -0.575) 10.653 6.222 ( 8.147 11.340 8.177) 16.181 6.463 ( 6.059 -12.895 2.740) 14.508 7.172 ( -3.833 22.322 5.601) 23.331 7.619 ( -7.352 -22.417 0.350) 23.595 8.394 ( -5.502 1.013 -12.819) 13.987 8.447 ( -2.769 -4.577 -13.097) 14.147 8.632 ( -12.044 1.950 -5.681) 13.458 8.673 ( -11.182 -2.382 -7.170) 13.495 11.736 ( 25.934 13.865 22.353) 36.939 11.959 ( 28.063 -9.710 23.171) 37.666 14.065 ( 11.853 62.318 7.155) 63.838 15.270 ( 2.252 -62.321 2.923) 62.430 16.004 ( -13.105 0.900 -15.716) 20.482 16.034 ( -13.316 -2.109 -20.985) 24.942 16.976 ( -4.867 12.524 24.595) 28.026 17.107 ( -4.876 -1.379 29.529) 29.960 17.959 ( 28.512 12.584 -16.361) 35.199 18.281 ( 42.527 -21.513 -7.937) 48.315 20.042 ( 9.085 4.538 9.979) 14.237 20.193 ( 8.732 -11.470 7.028) 16.038 21.097 ( -4.903 2.629 -4.900) 7.413 21.137 ( -6.899 -1.691 -6.188) 9.420 22.613 ( 4.081 16.219 12.062) 20.620 22.835 ( 8.266 -4.333 6.181) 11.194 23.863 ( -4.704 13.402 -10.625) 17.738 24.181 ( -2.786 -17.585 -12.664) 21.848 25.496 ( -8.836 19.211 -9.298) 23.100 25.836 ( -6.267 -16.282 -12.266) 21.327 26.688 ( -5.814 9.172 5.928) 12.372 26.843 ( -4.369 -0.867 5.089) 6.763 26.945 ( -8.168 0.966 9.568) 12.617 27.112 ( -3.391 -10.883 9.043) 14.550 34.021 ( 18.446 3.235 15.222) 24.134 34.078 ( 15.737 -2.607 12.882) 20.503 35.277 ( 3.310 39.850 5.285) 40.335 36.083 ( 1.837 -44.622 3.244) 44.777 37.339 ( -23.176 6.822 -14.224) 28.035 37.480 ( -17.676 -8.252 -11.564) 22.678 38.136 ( 0.513 3.784 -12.392) 12.967 38.210 ( 0.179 -3.980 -12.180) 12.815 41.438 ( 10.727 4.087 13.141) 17.449 41.506 ( 8.570 -2.741 10.958) 14.179 42.931 ( -3.348 13.076 -2.861) 13.798 43.131 ( -3.403 -8.205 -2.990) 9.373 ======================= Grid point 92 (38/100) ======================= q-point: ( 0.22 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 9.218 23.663 -0.368) 25.398 2.845 ( 2.443 -17.596 -3.074) 18.028 2.883 ( 9.659 19.163 8.582) 23.112 3.284 ( 5.259 -17.787 3.910) 18.956 3.570 ( -5.865 4.155 -3.396) 7.949 3.678 ( -8.183 -6.656 -3.594) 11.144 3.773 ( -3.236 7.043 -0.625) 7.776 3.922 ( -1.410 -6.265 -0.170) 6.424 4.215 ( -4.768 0.467 2.676) 5.487 4.260 ( -3.240 -3.599 -0.710) 4.894 4.503 ( 1.617 7.651 1.848) 8.035 4.551 ( -9.281 0.083 2.001) 9.494 5.397 ( 14.347 16.830 9.060) 23.899 5.648 ( 17.277 -4.778 -7.651) 19.490 5.809 ( 10.273 6.211 -14.612) 18.911 6.026 ( 21.913 -16.830 8.618) 28.943 6.434 ( 11.513 8.412 12.702) 19.096 6.607 ( 7.116 -5.268 2.166) 9.115 7.084 ( -3.631 12.719 7.498) 15.205 7.431 ( -10.282 -18.469 -1.236) 21.174 8.184 ( -15.749 3.324 -11.873) 20.001 8.256 ( -16.493 -3.481 -8.767) 19.000 8.378 ( -12.380 0.443 -2.346) 12.608 8.426 ( -10.771 -4.592 -1.812) 11.848 12.417 ( 37.983 17.973 11.832) 43.655 12.689 ( 40.396 -10.838 18.130) 45.585 14.399 ( 19.469 47.574 11.489) 52.672 15.284 ( -3.117 -37.824 -0.872) 37.962 15.694 ( -14.893 3.865 -22.479) 27.240 15.859 ( -2.777 -19.609 -14.851) 24.754 16.837 ( -8.678 8.865 31.846) 34.177 16.951 ( -10.553 -3.138 32.785) 34.584 18.627 ( 32.611 23.787 -7.285) 41.017 19.131 ( 34.897 -29.569 -3.218) 45.853 20.380 ( 24.019 4.845 -1.050) 24.525 20.510 ( 21.201 -8.596 -4.284) 23.275 20.938 ( -10.710 2.287 -0.393) 10.958 20.982 ( -4.027 -3.161 1.827) 5.435 22.715 ( 4.653 22.005 6.016) 23.282 23.052 ( 11.582 -9.998 -0.448) 15.308 23.739 ( -6.474 15.648 -11.732) 20.601 24.115 ( -2.681 -20.401 -14.428) 25.131 25.241 ( -15.581 22.041 -6.135) 27.681 25.637 ( -13.159 -19.324 -10.293) 25.545 26.509 ( -10.036 17.579 10.801) 22.943 26.707 ( -7.709 13.270 9.634) 18.120 26.823 ( -4.550 -13.747 4.312) 15.109 27.003 ( -6.416 -15.980 8.832) 19.353 34.516 ( 25.637 4.355 5.755) 26.633 34.550 ( 31.799 -0.312 12.512) 34.174 35.401 ( 9.561 34.485 10.158) 37.200 36.145 ( 4.435 -42.589 4.024) 43.008 36.819 ( -26.032 12.830 -15.505) 32.904 37.102 ( -18.122 -17.297 -11.653) 27.630 38.016 ( -12.339 3.595 0.855) 12.880 38.088 ( -12.361 -3.912 0.560) 12.977 41.716 ( 14.572 2.478 3.426) 15.173 41.731 ( 13.415 1.059 2.566) 13.699 42.831 ( -6.315 13.038 -3.392) 14.879 43.028 ( -6.576 -7.966 -3.417) 10.880 ======================= Grid point 93 (39/100) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 15.568 12.402 0.193) 19.905 2.938 ( 7.360 -15.636 -3.556) 17.643 3.093 ( 9.445 17.364 7.565) 21.165 3.362 ( 2.271 -10.592 3.727) 11.456 3.458 ( -5.799 0.711 -2.089) 6.204 3.530 ( -5.236 -6.017 -2.449) 8.344 3.661 ( -7.717 7.837 0.903) 11.036 3.847 ( -6.149 -9.829 1.127) 11.649 4.081 ( -6.717 4.837 0.128) 8.278 4.193 ( -2.670 -7.575 -0.425) 8.043 4.302 ( -12.066 4.360 1.533) 12.920 4.411 ( -7.732 -6.036 0.457) 9.820 5.869 ( 25.588 17.375 -3.424) 31.118 6.006 ( 14.495 1.671 -16.843) 22.284 6.115 ( 22.587 15.152 -3.602) 27.436 6.556 ( 24.135 -10.635 11.535) 28.786 6.592 ( 3.743 2.248 4.813) 6.498 6.782 ( 11.499 -0.910 6.919) 13.451 7.062 ( 0.440 -2.213 8.260) 8.562 7.242 ( -4.938 -12.593 -2.277) 13.717 7.776 ( -22.648 5.367 -10.291) 25.449 7.878 ( -18.936 -5.686 -2.955) 19.991 8.075 ( -17.262 2.720 3.254) 17.776 8.176 ( -15.008 -7.735 2.829) 17.119 13.213 ( 38.043 21.282 -0.860) 43.599 13.529 ( 39.697 -11.898 11.608) 43.037 14.761 ( 9.656 22.133 8.508) 25.603 15.083 ( -14.590 -7.418 -11.187) 19.825 15.487 ( -2.004 10.348 -8.463) 13.517 15.921 ( 7.723 -32.941 -0.901) 33.846 16.614 ( -13.971 3.176 32.622) 35.630 16.680 ( -14.615 -4.055 31.595) 35.047 19.219 ( 25.214 23.373 1.380) 34.409 19.665 ( 19.548 -23.750 3.580) 30.968 20.535 ( -15.674 5.355 0.422) 16.569 20.629 ( -10.199 -4.828 -1.139) 11.341 21.104 ( 33.316 13.209 -4.998) 36.186 21.406 ( 40.567 -18.404 -9.740) 45.599 22.715 ( -6.939 26.780 -3.699) 27.911 23.193 ( -2.762 -22.800 -6.190) 23.786 23.693 ( 6.119 24.156 -10.090) 26.884 24.143 ( 7.397 -21.955 -13.073) 26.602 24.872 ( -19.918 23.332 -3.023) 30.826 25.301 ( -19.227 -21.075 -8.116) 29.660 26.342 ( -5.367 22.783 13.170) 26.857 26.541 ( -8.272 16.750 9.939) 21.161 26.744 ( -2.827 -19.029 5.417) 19.986 26.872 ( -6.058 -18.130 8.271) 20.827 35.038 ( 22.969 20.396 -8.069) 31.759 35.275 ( 36.992 -6.549 6.605) 38.144 35.727 ( 23.688 18.920 20.452) 36.570 36.261 ( -2.332 -13.421 -1.381) 13.692 36.322 ( -12.256 -3.105 -6.172) 14.070 36.749 ( -16.328 -26.709 -11.060) 33.201 37.639 ( -24.035 3.555 10.277) 26.380 37.711 ( -23.892 -4.002 9.902) 26.170 41.986 ( 12.818 6.359 -3.670) 14.771 42.054 ( 16.018 -1.270 -1.497) 16.137 42.675 ( -8.727 12.678 -4.174) 15.947 42.863 ( -9.460 -7.349 -3.956) 12.616 ======================= Grid point 94 (40/100) ======================= q-point: ( 0.44 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 15.587 4.741 -0.301) 16.294 3.126 ( 9.713 -7.786 -3.254) 12.867 3.239 ( -0.049 4.573 1.730) 4.890 3.326 ( -5.860 -1.608 -0.748) 6.123 3.332 ( -2.643 3.265 1.357) 4.414 3.475 ( -9.531 9.018 2.908) 13.439 3.516 ( 4.978 -10.296 2.391) 11.683 3.678 ( -9.404 -11.428 2.840) 15.070 4.005 ( 0.254 8.137 0.375) 8.150 4.091 ( -7.549 8.170 1.357) 11.206 4.186 ( 1.940 -10.658 0.144) 10.834 4.269 ( -5.748 -9.852 0.327) 11.411 6.262 ( 11.381 13.231 -11.634) 20.975 6.333 ( 16.915 8.470 -9.967) 21.382 6.498 ( -4.603 13.322 -6.768) 15.636 6.614 ( 13.691 7.219 -1.440) 15.545 6.834 ( 0.740 -1.256 -9.233) 9.347 7.088 ( 19.901 -20.919 5.197) 29.337 7.185 ( 11.474 5.387 6.878) 14.421 7.266 ( -17.370 2.143 -8.502) 19.457 7.404 ( 11.737 -3.672 13.355) 18.155 7.524 ( -13.550 -11.921 4.229) 18.537 7.679 ( -20.101 3.496 8.183) 21.982 7.805 ( -20.488 -9.372 9.059) 24.283 13.941 ( 32.348 20.957 -12.254) 40.445 14.263 ( 30.143 -11.671 2.977) 32.460 14.540 ( -23.314 13.683 -16.168) 31.499 14.788 ( -18.498 -11.693 -2.171) 21.991 15.729 ( 21.605 18.258 22.175) 35.943 16.099 ( 2.725 -11.919 18.039) 21.792 16.257 ( -13.357 -6.221 25.771) 29.686 16.407 ( -12.506 -13.745 21.802) 28.647 19.699 ( 22.271 17.707 4.361) 28.785 20.021 ( 15.657 -15.894 4.580) 22.776 20.147 ( -20.169 10.382 4.210) 23.072 20.351 ( -15.251 -10.841 3.574) 19.050 21.819 ( 33.131 21.108 -10.811) 40.744 22.242 ( 37.263 -22.371 -14.937) 45.958 22.404 ( -22.294 25.433 -10.837) 35.515 22.891 ( -24.430 -24.712 -13.466) 37.267 23.995 ( 20.072 23.419 -3.829) 31.080 24.419 ( 3.378 -2.035 -6.439) 7.551 24.450 ( -6.126 3.959 -4.887) 8.780 24.869 ( -22.129 -21.107 -7.754) 31.548 26.301 ( 1.277 22.890 12.894) 26.303 26.384 ( -6.397 20.355 11.439) 24.210 26.719 ( 0.514 -20.649 6.777) 21.739 26.766 ( -3.951 -19.779 7.627) 21.563 35.447 ( 18.343 30.738 -14.085) 38.466 35.833 ( -17.983 26.524 -14.627) 35.226 35.985 ( 25.906 -19.906 -5.569) 33.142 36.347 ( 32.341 4.730 20.126) 38.385 36.420 ( -14.776 -30.475 -9.317) 35.127 36.578 ( 21.195 -21.125 16.097) 33.980 37.052 ( -32.393 3.773 17.052) 36.801 37.141 ( -30.256 -5.985 16.842) 35.141 42.242 ( 12.014 9.678 -5.259) 16.299 42.368 ( 14.294 -3.837 -3.953) 15.319 42.476 ( -10.489 11.489 -4.927) 16.318 42.641 ( -12.089 -6.105 -4.310) 14.212 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 0.000 32.828) 32.828 1.820 ( 0.000 0.000 39.347) 39.347 2.765 ( 0.000 0.000 50.831) 50.831 3.391 ( 0.000 0.000 -1.378) 1.378 3.680 ( 0.000 0.000 -6.101) 6.101 3.766 ( 0.000 0.000 -1.890) 1.890 3.797 ( 0.000 0.000 -0.521) 0.521 3.814 ( 0.000 0.000 9.705) 9.705 4.174 ( 0.000 0.000 -23.127) 23.127 4.180 ( 0.000 0.000 -9.752) 9.752 4.611 ( 0.000 0.000 -6.850) 6.850 4.754 ( 0.000 0.000 -3.816) 3.816 5.170 ( 0.000 0.000 3.964) 3.964 5.542 ( 0.000 0.000 15.682) 15.682 5.810 ( 0.000 0.000 13.508) 13.508 5.816 ( 0.000 0.000 -4.300) 4.300 5.846 ( 0.000 0.000 -10.590) 10.590 6.514 ( 0.000 0.000 25.858) 25.858 7.633 ( 0.000 0.000 12.661) 12.661 8.038 ( 0.000 0.000 -18.937) 18.937 8.259 ( 0.000 0.000 -23.895) 23.895 8.425 ( 0.000 0.000 -9.017) 9.017 8.503 ( 0.000 0.000 -22.733) 22.733 8.511 ( 0.000 0.000 -8.157) 8.157 11.867 ( 0.000 0.000 21.390) 21.390 11.960 ( 0.000 0.000 51.295) 51.295 12.611 ( 0.000 0.000 36.972) 36.972 14.852 ( 0.000 0.000 -3.861) 3.861 15.757 ( 0.000 0.000 -28.183) 28.183 16.825 ( 0.000 0.000 28.960) 28.960 17.125 ( 0.000 0.000 -8.027) 8.027 17.424 ( 0.000 0.000 -0.421) 0.421 18.135 ( 0.000 0.000 -2.230) 2.230 18.380 ( 0.000 0.000 2.143) 2.143 20.739 ( 0.000 0.000 -16.044) 16.044 20.765 ( 0.000 0.000 -0.523) 0.523 20.894 ( 0.000 0.000 -25.181) 25.181 20.991 ( 0.000 0.000 -2.923) 2.923 21.113 ( 0.000 0.000 31.582) 31.582 22.494 ( 0.000 0.000 31.511) 31.511 23.917 ( 0.000 0.000 4.882) 4.882 24.261 ( 0.000 0.000 -19.593) 19.593 24.903 ( 0.000 0.000 -6.842) 6.842 26.082 ( 0.000 0.000 -13.204) 13.204 26.732 ( 0.000 0.000 3.277) 3.277 27.110 ( 0.000 0.000 4.042) 4.042 27.448 ( 0.000 0.000 2.849) 2.849 27.802 ( 0.000 0.000 -2.328) 2.328 34.128 ( 0.000 0.000 11.883) 11.883 34.230 ( 0.000 0.000 32.584) 32.584 34.442 ( 0.000 0.000 23.358) 23.358 37.160 ( 0.000 0.000 -37.534) 37.534 37.249 ( 0.000 0.000 -14.725) 14.725 37.600 ( 0.000 0.000 -15.633) 15.633 37.886 ( 0.000 0.000 1.177) 1.177 38.194 ( 0.000 0.000 -2.525) 2.525 41.567 ( 0.000 0.000 4.189) 4.189 41.633 ( 0.000 0.000 23.732) 23.732 42.199 ( 0.000 0.000 -5.070) 5.070 43.233 ( 0.000 0.000 -6.832) 6.832 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 22.206 0.000 26.823) 34.822 2.013 ( 17.518 0.000 33.502) 37.805 2.986 ( 20.822 0.000 40.922) 45.915 3.420 ( 3.171 0.000 1.168) 3.379 3.596 ( -6.297 0.000 -0.064) 6.297 3.770 ( 0.679 0.000 -5.147) 5.191 3.809 ( 0.970 0.000 -0.483) 1.084 3.837 ( 0.594 0.000 6.853) 6.879 4.067 ( -7.827 0.000 -14.545) 16.517 4.165 ( -4.279 0.000 -14.395) 15.018 4.611 ( -0.171 0.000 -6.420) 6.422 4.715 ( -3.508 0.000 -3.332) 4.838 5.209 ( 2.870 0.000 2.055) 3.530 5.481 ( -2.733 0.000 14.291) 14.550 5.596 ( -7.985 0.000 0.371) 7.993 5.798 ( -2.393 0.000 -5.382) 5.890 6.111 ( 12.190 0.000 1.559) 12.290 6.697 ( 16.337 0.000 25.619) 30.385 7.702 ( 6.127 0.000 11.455) 12.991 7.940 ( -10.548 0.000 -16.795) 19.833 8.140 ( -12.162 0.000 -22.910) 25.938 8.327 ( -4.406 0.000 -15.490) 16.104 8.512 ( 0.874 0.000 -6.826) 6.882 8.572 ( 1.824 0.000 -12.234) 12.370 11.410 ( -13.303 0.000 22.100) 25.795 12.814 ( 51.236 0.000 44.353) 67.766 12.848 ( 22.283 0.000 36.469) 42.738 15.112 ( 23.163 0.000 -4.814) 23.658 15.361 ( -31.204 0.000 -34.078) 46.206 16.784 ( -3.766 0.000 28.877) 29.121 17.218 ( 6.765 0.000 5.284) 8.585 17.502 ( 7.706 0.000 1.061) 7.778 18.095 ( -3.802 0.000 -2.355) 4.472 18.978 ( 47.349 0.000 -18.449) 50.816 20.579 ( -13.054 0.000 -20.698) 24.470 20.821 ( 5.464 0.000 0.679) 5.506 20.866 ( -4.635 0.000 11.055) 11.987 21.177 ( 17.826 0.000 -3.660) 18.198 21.190 ( 7.026 0.000 -1.907) 7.280 22.475 ( -1.588 0.000 31.621) 31.661 23.878 ( -3.619 0.000 3.909) 5.327 24.197 ( -6.158 0.000 -19.710) 20.649 24.846 ( -5.068 0.000 -5.207) 7.266 26.028 ( -5.502 0.000 -12.883) 14.009 26.682 ( -4.973 0.000 4.385) 6.630 26.923 ( -17.330 0.000 15.213) 23.060 27.367 ( -4.064 0.000 4.640) 6.168 27.758 ( -3.404 0.000 -2.336) 4.129 33.937 ( -10.482 0.000 7.431) 12.849 34.448 ( 20.779 0.000 32.151) 38.281 34.773 ( 24.134 0.000 25.814) 35.338 36.581 ( -33.383 0.000 -30.753) 45.389 37.626 ( 13.763 0.000 -15.433) 20.679 37.840 ( 18.104 0.000 -18.673) 26.008 37.904 ( 1.645 0.000 -0.073) 1.647 38.193 ( 0.003 0.000 -2.595) 2.595 41.394 ( -13.634 0.000 5.466) 14.689 41.681 ( 4.702 0.000 20.412) 20.946 42.149 ( -4.776 0.000 -5.628) 7.381 43.194 ( -3.784 0.000 -6.914) 7.881 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 20.754 0.000 20.363) 29.075 2.467 ( 24.940 0.000 22.553) 33.625 3.378 ( 6.203 0.000 0.741) 6.247 3.450 ( -6.090 0.000 -3.069) 6.819 3.681 ( 25.547 0.000 29.578) 39.083 3.747 ( -2.240 0.000 -3.053) 3.787 3.812 ( -2.830 0.000 -1.818) 3.364 3.875 ( -9.117 0.000 -8.840) 12.699 3.884 ( 6.055 0.000 3.214) 6.855 4.010 ( -9.365 0.000 -8.066) 12.360 4.601 ( -0.758 0.000 -5.644) 5.695 4.638 ( -2.940 0.000 -2.272) 3.715 5.252 ( 1.346 0.000 -0.850) 1.592 5.472 ( -4.727 0.000 -2.139) 5.189 5.522 ( 5.978 0.000 6.340) 8.713 5.723 ( -3.408 0.000 -5.573) 6.532 6.351 ( 12.655 0.000 4.214) 13.339 7.115 ( 22.739 0.000 23.900) 32.989 7.602 ( -20.577 0.000 -15.430) 25.720 7.784 ( -21.271 0.000 -21.287) 30.094 7.862 ( 7.663 0.000 9.601) 12.284 8.226 ( -7.117 0.000 -12.226) 14.147 8.532 ( 0.143 0.000 -2.847) 2.851 8.556 ( -2.769 0.000 -0.108) 2.771 11.374 ( 9.268 0.000 1.705) 9.423 13.466 ( 36.041 0.000 35.110) 50.316 13.950 ( 57.111 0.000 48.116) 74.678 14.650 ( -36.255 0.000 -41.917) 55.421 15.654 ( 24.727 0.000 -4.079) 25.062 16.700 ( -2.594 0.000 26.671) 26.797 17.350 ( 4.421 0.000 21.809) 22.253 17.729 ( 14.576 0.000 -6.597) 16.000 17.980 ( -7.324 0.000 -2.560) 7.759 19.949 ( 39.319 0.000 -23.875) 45.999 20.246 ( -16.568 0.000 -19.786) 25.807 20.748 ( -4.151 0.000 25.673) 26.007 20.984 ( 10.146 0.000 3.949) 10.888 21.346 ( 7.219 0.000 -22.695) 23.815 21.667 ( 25.812 0.000 -4.292) 26.166 22.477 ( 5.221 0.000 29.965) 30.417 23.755 ( -10.075 0.000 -1.987) 10.269 24.041 ( -6.519 0.000 -15.914) 17.197 24.720 ( -6.795 0.000 -4.095) 7.933 25.837 ( -13.689 0.000 -11.751) 18.040 26.488 ( -14.078 0.000 21.837) 25.981 26.605 ( -9.949 0.000 12.734) 16.160 27.321 ( -0.897 0.000 2.885) 3.021 27.674 ( -4.801 0.000 -2.201) 5.282 33.790 ( -3.238 0.000 -1.145) 3.435 35.046 ( 36.190 0.000 30.775) 47.506 35.339 ( 30.153 0.000 28.238) 41.311 35.865 ( -35.267 0.000 -29.787) 46.163 37.771 ( 0.963 0.000 -4.206) 4.315 37.937 ( 1.097 0.000 -0.320) 1.142 38.123 ( 5.933 0.000 -9.732) 11.398 38.190 ( -0.759 0.000 -1.785) 1.940 41.151 ( -7.617 0.000 -0.700) 7.649 41.828 ( 9.515 0.000 12.180) 15.456 42.008 ( -8.773 0.000 -7.232) 11.369 43.078 ( -7.448 0.000 -7.063) 10.264 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 16.577 0.000 12.393) 20.698 2.976 ( 23.398 0.000 12.452) 26.505 3.313 ( -6.114 0.000 -3.435) 7.013 3.421 ( -0.307 0.000 -2.902) 2.918 3.602 ( -7.889 0.000 4.462) 9.063 3.638 ( -8.655 0.000 -4.138) 9.593 3.711 ( -9.953 0.000 -3.864) 10.677 3.882 ( -3.623 0.000 -0.265) 3.632 4.042 ( 10.547 0.000 2.813) 10.915 4.244 ( 16.391 0.000 14.899) 22.150 4.557 ( -2.770 0.000 -5.639) 6.282 4.669 ( 4.941 0.000 -0.169) 4.943 5.275 ( 1.086 0.000 -2.292) 2.536 5.450 ( 6.846 0.000 -2.333) 7.233 5.520 ( -6.092 0.000 -3.281) 6.920 5.856 ( 16.058 0.000 -4.961) 16.807 6.668 ( 17.831 0.000 3.693) 18.210 7.114 ( -25.936 0.000 -14.119) 29.530 7.283 ( -24.031 0.000 -16.590) 29.202 7.603 ( 21.237 0.000 17.339) 27.416 7.914 ( -10.147 0.000 -2.891) 10.550 8.105 ( 2.733 0.000 7.336) 7.829 8.476 ( -4.770 0.000 8.138) 9.433 8.488 ( -4.927 0.000 3.142) 5.843 11.741 ( 25.044 0.000 -18.595) 31.193 13.859 ( -38.282 0.000 -42.757) 57.391 14.250 ( 38.595 0.000 32.787) 50.642 15.132 ( 54.589 0.000 48.432) 72.977 15.891 ( -4.520 0.000 12.013) 12.836 16.816 ( 15.300 0.000 10.778) 18.715 17.313 ( -9.699 0.000 33.500) 34.876 17.795 ( -10.749 0.000 -2.513) 11.039 18.110 ( 22.239 0.000 -12.102) 25.319 19.743 ( -25.453 0.000 -20.977) 32.983 20.491 ( 6.951 0.000 1.737) 7.165 20.874 ( 11.728 0.000 13.689) 18.026 21.227 ( 13.134 0.000 8.501) 15.645 21.553 ( 18.567 0.000 -32.054) 37.043 21.928 ( -1.756 0.000 11.278) 11.413 22.951 ( 40.608 0.000 9.891) 41.795 23.403 ( -23.409 0.000 -10.540) 25.672 24.026 ( 4.672 0.000 -10.560) 11.547 24.571 ( -7.892 0.000 -6.204) 10.038 25.440 ( -25.431 0.000 -9.528) 27.157 26.258 ( -7.105 0.000 26.841) 27.765 26.425 ( -8.341 0.000 11.846) 14.488 27.323 ( 1.130 0.000 1.577) 1.940 27.566 ( -5.536 0.000 -1.477) 5.729 33.820 ( 6.507 0.000 -9.809) 11.771 35.142 ( -33.153 0.000 -27.342) 42.973 35.875 ( 43.025 0.000 28.581) 51.653 36.010 ( 33.309 0.000 27.984) 43.504 37.657 ( -12.446 0.000 5.410) 13.571 37.966 ( 2.139 0.000 1.081) 2.397 38.023 ( -15.545 0.000 7.402) 17.218 38.151 ( -2.840 0.000 0.152) 2.844 41.122 ( 4.445 0.000 -10.581) 11.476 41.797 ( -11.527 0.000 -9.671) 15.046 42.064 ( 13.168 0.000 3.313) 13.578 42.890 ( -10.791 0.000 -6.952) 12.836 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 12.574 0.000 3.408) 13.027 3.174 ( -8.223 0.000 -3.254) 8.844 3.359 ( 11.334 0.000 1.120) 11.389 3.414 ( 0.363 0.000 -0.334) 0.493 3.463 ( -4.786 0.000 4.371) 6.482 3.505 ( -6.584 0.000 -4.096) 7.754 3.591 ( 3.945 0.000 3.455) 5.244 3.768 ( -8.280 0.000 3.283) 8.907 4.263 ( 9.772 0.000 6.069) 11.504 4.379 ( -0.507 0.000 10.008) 10.021 4.532 ( 2.020 0.000 -6.784) 7.079 4.651 ( -6.800 0.000 0.725) 6.838 5.308 ( 2.534 0.000 -2.913) 3.861 5.391 ( -5.525 0.000 -3.420) 6.498 5.863 ( 29.520 0.000 -6.087) 30.141 6.264 ( 22.722 0.000 -11.335) 25.392 6.499 ( -30.324 0.000 -11.467) 32.419 6.763 ( -25.408 0.000 -15.886) 29.966 7.116 ( 21.732 0.000 2.482) 21.873 7.563 ( -20.671 0.000 -1.169) 20.704 8.016 ( 17.830 0.000 14.737) 23.132 8.233 ( 6.894 0.000 11.604) 13.497 8.320 ( -11.524 0.000 9.302) 14.810 8.365 ( -5.960 0.000 11.190) 12.678 12.350 ( 33.244 0.000 -32.597) 46.559 13.078 ( -37.208 0.000 -40.522) 55.013 14.995 ( 32.996 0.000 29.320) 44.141 15.578 ( -23.100 0.000 24.103) 33.385 16.160 ( 44.461 0.000 48.078) 65.485 16.919 ( -28.610 0.000 42.886) 51.553 17.194 ( 18.583 0.000 0.612) 18.593 17.536 ( -14.584 0.000 -1.841) 14.699 18.620 ( 26.824 0.000 -16.250) 31.362 19.188 ( -27.944 0.000 -19.559) 34.109 20.640 ( 9.825 0.000 5.275) 11.151 20.861 ( -9.391 0.000 5.083) 10.678 21.507 ( 13.712 0.000 13.052) 18.930 21.769 ( -11.288 0.000 15.681) 19.321 22.151 ( 34.285 0.000 -21.781) 40.618 22.835 ( -31.206 0.000 -14.493) 34.408 23.893 ( 46.971 0.000 -0.978) 46.981 24.186 ( 9.769 0.000 -10.749) 14.525 24.391 ( -9.641 0.000 -9.212) 13.334 24.783 ( -38.398 0.000 -6.094) 38.879 26.196 ( 0.759 0.000 22.603) 22.616 26.272 ( -6.071 0.000 16.780) 17.844 27.369 ( 3.286 0.000 0.485) 3.321 27.455 ( -4.992 0.000 -0.529) 5.020 34.064 ( 17.231 0.000 -17.341) 24.446 34.520 ( -26.776 0.000 -23.220) 35.442 36.687 ( 31.647 0.000 23.993) 39.714 36.755 ( 41.332 0.000 25.133) 48.374 37.272 ( -24.431 0.000 16.185) 29.306 37.521 ( -32.092 0.000 19.049) 37.320 38.021 ( 3.009 0.000 0.785) 3.110 38.086 ( -3.274 0.000 0.556) 3.320 41.294 ( 11.192 0.000 -13.963) 17.894 41.545 ( -12.697 0.000 -12.437) 17.773 42.352 ( 14.427 0.000 -2.847) 14.705 42.640 ( -13.369 0.000 -5.907) 14.615 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 19.901 27.712) 34.118 1.792 ( 0.000 1.612 35.887) 35.923 3.054 ( 0.000 24.736 38.035) 45.372 3.442 ( 0.000 5.446 0.078) 5.446 3.581 ( 0.000 -12.335 -10.658) 16.302 3.673 ( 0.000 -4.808 0.025) 4.808 3.737 ( 0.000 -6.087 11.383) 12.909 3.846 ( 0.000 4.065 -0.828) 4.148 4.177 ( 0.000 -1.103 -7.706) 7.785 4.232 ( 0.000 4.167 -19.586) 20.024 4.575 ( 0.000 -3.483 -4.634) 5.797 4.718 ( 0.000 -3.643 -5.170) 6.324 5.203 ( 0.000 0.794 -3.691) 3.776 5.564 ( 0.000 1.830 13.968) 14.087 5.750 ( 0.000 -2.994 8.992) 9.478 5.834 ( 0.000 1.923 -4.258) 4.672 5.982 ( 0.000 12.981 2.450) 13.211 6.461 ( 0.000 -5.415 23.410) 24.028 7.519 ( 0.000 -11.222 12.859) 17.067 8.038 ( 0.000 -0.106 -17.833) 17.833 8.221 ( 0.000 -3.522 -22.630) 22.903 8.320 ( 0.000 -9.491 -9.912) 13.723 8.503 ( 0.000 -0.032 -22.242) 22.242 8.545 ( 0.000 1.779 -8.817) 8.995 11.958 ( 0.000 1.246 49.806) 49.822 12.124 ( 0.000 24.471 20.342) 31.822 12.629 ( 0.000 3.745 36.386) 36.578 15.135 ( 0.000 23.795 -12.421) 26.842 15.867 ( 0.000 12.059 -29.048) 31.452 16.592 ( 0.000 -16.652 15.480) 22.736 17.230 ( 0.000 1.318 -26.358) 26.391 17.525 ( 0.000 12.181 28.000) 30.535 17.657 ( 0.000 -45.427 -2.529) 45.498 18.321 ( 0.000 -5.994 7.210) 9.376 20.609 ( 0.000 -10.438 3.592) 11.039 20.691 ( 0.000 -6.975 1.810) 7.206 20.901 ( 0.000 0.449 -23.448) 23.452 20.911 ( 0.000 3.224 18.192) 18.475 21.656 ( 0.000 37.474 -9.557) 38.674 22.567 ( 0.000 7.501 30.760) 31.661 23.908 ( 0.000 -1.537 4.829) 5.067 24.256 ( 0.000 -1.724 -19.878) 19.952 24.926 ( 0.000 3.252 -8.189) 8.811 26.024 ( 0.000 -6.293 -13.583) 14.970 26.740 ( 0.000 1.105 4.391) 4.528 27.099 ( 0.000 -1.168 4.436) 4.587 27.414 ( 0.000 -3.515 2.805) 4.497 27.642 ( 0.000 -13.960 3.753) 14.456 34.231 ( 0.000 2.040 29.319) 29.389 34.288 ( 0.000 14.872 14.087) 20.485 34.430 ( 0.000 -1.216 23.789) 23.820 37.178 ( 0.000 1.150 -34.532) 34.551 37.269 ( 0.000 2.013 -15.070) 15.204 37.583 ( 0.000 -2.577 -15.345) 15.560 37.649 ( 0.000 -22.494 -0.845) 22.510 38.078 ( 0.000 -10.491 -6.372) 12.275 41.644 ( 0.000 1.272 22.966) 23.001 41.648 ( 0.000 6.611 5.662) 8.704 42.329 ( 0.000 12.639 -4.654) 13.469 43.225 ( 0.000 -1.035 -6.661) 6.741 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 16.147 1.904 28.893) 33.153 2.036 ( 18.292 12.318 26.754) 34.671 3.235 ( 15.280 19.013 23.485) 33.861 3.454 ( 0.688 1.910 0.357) 2.061 3.541 ( -1.781 -5.135 1.272) 5.582 3.661 ( 0.536 -7.014 -0.887) 7.090 3.751 ( 0.382 -4.297 5.662) 7.119 3.864 ( 0.794 3.574 -0.537) 3.701 4.116 ( -5.171 1.500 -6.298) 8.286 4.192 ( -4.391 3.620 -16.079) 17.056 4.567 ( -0.773 -4.737 -4.674) 6.700 4.683 ( -3.048 -2.549 -4.119) 5.723 5.232 ( 2.489 0.433 -3.122) 4.016 5.497 ( -3.434 1.310 12.489) 13.019 5.579 ( -8.103 -0.186 1.820) 8.307 5.957 ( -0.729 14.381 -5.104) 15.277 6.084 ( 12.452 -0.439 6.576) 14.089 6.642 ( 16.166 -6.010 24.364) 29.851 7.584 ( 5.754 -11.718 11.613) 17.472 7.934 ( -11.091 -0.942 -15.479) 19.065 8.111 ( -10.254 -3.228 -21.158) 23.732 8.294 ( -2.039 -3.443 -15.831) 16.329 8.503 ( -0.937 -0.947 -8.585) 8.688 8.531 ( -0.630 -3.574 -11.556) 12.113 11.582 ( -10.797 17.184 23.539) 31.080 12.812 ( 31.215 -1.355 38.459) 49.551 12.966 ( 40.611 14.343 37.468) 57.086 15.253 ( 2.980 9.798 -16.145) 19.119 15.473 ( -20.352 12.133 -25.180) 34.575 16.752 ( 8.133 -0.526 17.258) 19.085 17.301 ( 5.811 6.236 -0.620) 8.546 17.489 ( -0.457 -12.244 7.561) 14.397 17.692 ( 2.257 -26.320 3.364) 26.630 18.882 ( 46.078 -10.251 -13.345) 49.055 20.612 ( -2.849 -3.724 -3.383) 5.782 20.745 ( 4.424 -6.762 3.109) 8.658 20.844 ( -5.151 0.864 21.463) 22.089 20.928 ( 5.072 -3.573 -17.344) 18.420 21.724 ( 6.701 32.928 -13.924) 36.374 22.552 ( -1.087 7.969 30.515) 31.557 23.870 ( -3.554 -1.550 3.875) 5.481 24.203 ( -5.013 -0.707 -20.382) 21.001 24.861 ( -5.895 2.588 -6.234) 8.962 25.976 ( -4.903 -5.801 -13.424) 15.424 26.691 ( -4.833 1.257 5.611) 7.512 26.933 ( -15.666 1.141 13.859) 20.948 27.320 ( -4.285 -4.818 5.172) 8.266 27.646 ( -1.105 -10.323 0.107) 10.383 34.056 ( -10.142 11.934 7.822) 17.506 34.452 ( 20.310 0.463 31.549) 37.524 34.799 ( 24.211 3.299 25.382) 35.232 36.620 ( -32.372 4.092 -29.833) 44.212 37.560 ( 6.860 -14.223 -5.210) 16.628 37.696 ( 4.849 -15.585 -8.100) 18.221 37.769 ( 13.729 -5.262 -16.162) 21.849 38.105 ( 2.720 -6.752 -7.920) 10.757 41.516 ( -10.496 10.262 5.409) 15.644 41.690 ( 4.485 1.137 19.485) 20.027 42.283 ( -4.486 12.880 -5.116) 14.567 43.185 ( -3.827 -1.081 -6.754) 7.837 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 23.839 -3.609 20.203) 31.456 2.427 ( 18.913 8.375 21.087) 29.538 3.376 ( -5.771 -7.606 -4.582) 10.590 3.411 ( 1.540 0.951 -2.510) 3.094 3.690 ( 0.979 -6.784 -3.606) 7.745 3.708 ( -1.449 -5.637 -2.093) 6.186 3.779 ( 8.301 2.626 9.440) 12.842 3.858 ( 1.464 4.859 4.502) 6.784 4.026 ( -4.868 8.509 -0.522) 9.817 4.082 ( 1.918 9.328 -0.103) 9.524 4.553 ( 0.217 -5.444 -3.305) 6.372 4.610 ( -3.631 -1.859 -2.368) 4.717 5.272 ( 0.615 1.824 -0.206) 1.936 5.450 ( -3.525 -0.759 -3.355) 4.925 5.535 ( 7.933 0.340 5.300) 9.547 5.895 ( -4.414 16.753 -4.696) 17.950 6.363 ( 14.820 2.116 6.486) 16.315 7.054 ( 22.391 -6.610 23.181) 32.900 7.593 ( -19.531 -1.469 -14.483) 24.359 7.711 ( -1.702 -9.858 -2.562) 10.327 7.822 ( -10.987 -1.519 -7.910) 13.623 8.216 ( -6.647 -0.881 -12.370) 14.070 8.460 ( -3.884 -6.936 1.129) 8.030 8.518 ( -0.548 -3.873 -5.044) 6.383 11.581 ( 10.026 21.300 3.016) 23.734 13.471 ( 35.880 -0.376 34.267) 49.616 14.018 ( 54.590 7.705 45.139) 71.253 14.709 ( -34.219 6.150 -39.650) 52.734 15.657 ( 14.403 -1.592 -3.226) 14.846 16.842 ( 1.671 14.610 24.458) 28.539 17.374 ( 0.390 -5.484 20.724) 21.441 17.563 ( 2.846 -21.534 -2.268) 21.839 17.802 ( 13.044 -1.828 -6.469) 14.675 19.878 ( 44.779 -9.926 -21.851) 50.806 20.402 ( -16.777 12.564 -14.606) 25.547 20.717 ( -2.690 -2.616 26.625) 26.888 20.885 ( 6.917 -8.573 3.531) 11.568 21.167 ( 16.087 -11.222 -13.593) 23.864 21.909 ( 9.109 19.200 -12.823) 24.820 22.577 ( 6.846 10.368 26.320) 29.105 23.753 ( -9.141 -1.356 -2.281) 9.519 24.077 ( -5.312 2.345 -17.445) 18.386 24.708 ( -8.449 0.087 -3.927) 9.317 25.805 ( -12.296 -4.134 -13.025) 18.383 26.516 ( -12.601 3.038 19.295) 23.245 26.624 ( -10.735 2.648 14.076) 17.899 27.272 ( -1.060 -5.113 3.374) 6.217 27.589 ( -4.121 -8.408 -0.909) 9.407 33.923 ( -2.550 13.756 -0.839) 14.016 35.036 ( 35.257 -1.091 29.908) 46.246 35.361 ( 29.996 2.494 28.211) 41.254 35.928 ( -33.997 6.683 -28.748) 45.021 37.632 ( 2.167 -22.188 1.737) 22.361 37.753 ( -0.719 -16.336 -5.889) 17.380 37.957 ( 2.999 -10.024 -6.174) 12.149 38.154 ( -0.372 -2.150 -5.535) 5.950 41.328 ( -5.804 15.548 -0.846) 16.618 41.830 ( 8.967 0.601 10.917) 14.141 42.151 ( -8.032 13.536 -6.218) 16.923 43.069 ( -7.434 -1.107 -6.965) 10.247 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 15.391 7.561 10.726) 20.226 2.858 ( 22.216 -8.660 14.696) 28.009 3.276 ( -3.662 -5.103 -4.689) 7.838 3.405 ( -1.414 -1.126 -1.849) 2.585 3.560 ( -8.782 -1.496 -0.730) 8.938 3.663 ( -8.352 -4.423 -3.943) 10.240 3.716 ( -3.067 2.081 -1.475) 3.989 3.890 ( -2.499 1.853 1.348) 3.391 3.961 ( 3.580 -5.721 1.154) 6.847 4.292 ( 5.666 2.551 8.221) 10.305 4.526 ( -3.311 -3.582 -5.318) 7.217 4.622 ( 2.130 -4.769 1.787) 5.520 5.339 ( 9.597 8.844 3.999) 13.649 5.469 ( 6.032 3.883 -7.128) 10.113 5.729 ( 1.597 15.397 -0.942) 15.508 5.869 ( 11.165 3.464 -6.422) 13.338 6.705 ( 17.953 4.072 4.910) 19.052 7.105 ( -24.052 -1.043 -13.116) 27.416 7.309 ( -24.140 2.322 -17.874) 30.127 7.545 ( 21.302 -6.248 17.337) 28.167 7.880 ( -0.919 -6.055 5.075) 7.954 8.035 ( -5.640 -4.315 1.096) 7.185 8.365 ( -5.216 -9.769 7.809) 13.551 8.465 ( -5.298 -4.037 2.030) 6.963 11.945 ( 24.099 21.114 -16.254) 35.927 13.943 ( -33.540 8.491 -38.119) 51.480 14.257 ( 34.895 0.268 29.407) 45.634 15.147 ( 50.947 1.463 45.083) 68.045 15.797 ( -1.780 -9.411 9.204) 13.284 16.913 ( 6.801 8.227 17.638) 20.616 17.297 ( -9.455 -5.989 28.607) 30.719 17.503 ( -7.108 -21.091 4.246) 22.658 18.236 ( 26.160 12.733 -14.855) 32.667 19.964 ( -24.812 19.071 -17.420) 35.816 20.433 ( 8.862 -6.780 1.520) 11.261 20.845 ( 7.683 -3.699 12.588) 15.205 21.089 ( 17.170 -10.379 4.755) 20.619 21.555 ( 23.632 -2.574 -25.619) 34.949 21.960 ( -4.491 4.723 6.184) 8.985 22.991 ( 32.780 5.591 10.482) 34.866 23.433 ( -21.786 1.170 -12.666) 25.227 24.077 ( 5.682 4.212 -10.764) 12.880 24.522 ( -9.802 -3.667 -5.165) 11.671 25.448 ( -22.756 -0.714 -11.774) 25.631 26.295 ( -7.272 4.217 25.770) 27.107 26.438 ( -8.317 2.199 12.827) 15.444 27.269 ( 0.806 -5.678 2.177) 6.134 27.490 ( -5.226 -7.757 -0.427) 9.363 33.962 ( 6.655 14.880 -9.271) 18.753 35.233 ( -31.570 9.533 -26.149) 42.087 35.845 ( 41.576 -3.188 27.156) 49.761 36.029 ( 33.400 1.959 28.109) 43.698 37.612 ( -9.053 -9.472 2.920) 13.424 37.711 ( 0.894 -24.888 1.049) 24.926 37.899 ( -9.143 -17.582 3.339) 20.097 38.014 ( -11.874 -2.450 5.516) 13.320 41.314 ( 4.261 17.399 -9.326) 20.195 41.934 ( -8.840 12.325 -8.877) 17.574 42.079 ( 10.847 2.171 2.580) 11.359 42.882 ( -10.692 -0.986 -6.960) 12.796 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 10.792 4.893 2.429) 12.095 3.161 ( -1.152 -2.778 -1.700) 3.455 3.279 ( 9.219 -5.403 4.335) 11.531 3.369 ( -1.691 -3.799 2.643) 4.927 3.413 ( -3.443 -2.020 -0.747) 4.061 3.488 ( -7.820 -2.689 -2.543) 8.652 3.681 ( 1.965 6.110 0.965) 6.490 3.795 ( -6.738 2.654 2.272) 7.590 4.115 ( 9.734 -13.061 5.981) 17.353 4.288 ( -5.240 -8.671 7.386) 12.538 4.487 ( 0.403 -4.751 -6.356) 7.945 4.553 ( -5.602 -7.643 -1.148) 9.545 5.488 ( 4.969 15.829 -2.349) 16.756 5.588 ( -3.935 17.691 -2.352) 18.275 5.930 ( 26.879 6.889 -6.206) 28.433 6.269 ( 22.960 0.968 -10.953) 25.458 6.524 ( -27.858 2.243 -12.331) 30.548 6.786 ( -25.758 2.658 -15.483) 30.171 7.153 ( 21.256 3.860 3.955) 21.963 7.586 ( -19.597 2.324 0.275) 19.736 7.968 ( 17.811 -5.060 14.445) 23.483 8.118 ( 6.970 -11.750 11.529) 17.876 8.243 ( -7.183 -9.346 11.128) 16.210 8.293 ( -10.892 -6.252 8.378) 15.096 12.525 ( 31.530 18.305 -29.906) 47.155 13.214 ( -35.108 14.232 -37.832) 53.538 14.963 ( 31.060 -4.164 26.886) 41.291 15.490 ( -18.727 -9.908 20.277) 29.326 16.190 ( 41.432 3.004 46.554) 62.393 16.916 ( -27.405 -0.645 41.395) 49.649 17.110 ( 10.599 -7.353 7.517) 14.930 17.325 ( -9.731 -18.586 2.028) 21.077 18.812 ( 29.099 18.621 -16.653) 38.351 19.409 ( -28.589 20.236 -17.590) 39.195 20.595 ( 9.454 -5.050 5.274) 11.945 20.798 ( -8.521 -6.673 5.626) 12.198 21.459 ( 15.944 -3.387 10.272) 19.267 21.746 ( -11.604 0.046 8.936) 14.647 22.209 ( 33.588 2.735 -20.855) 39.631 22.884 ( -30.570 3.054 -16.765) 34.999 23.741 ( 34.113 -8.489 1.733) 35.196 24.205 ( -7.188 -6.185 -2.788) 9.884 24.383 ( 9.930 5.756 -13.264) 17.541 24.886 ( -30.317 5.961 -10.693) 32.695 26.225 ( 0.205 3.576 22.554) 22.837 26.290 ( -5.644 2.646 17.463) 18.543 27.307 ( 2.906 -6.458 1.235) 7.189 27.386 ( -4.663 -7.197 0.380) 8.584 34.202 ( 16.636 14.466 -16.503) 27.539 34.639 ( -25.585 12.526 -22.171) 36.098 36.666 ( 34.743 -4.142 22.257) 41.468 36.738 ( 36.907 -0.367 24.839) 44.488 37.262 ( -23.757 -2.706 14.303) 27.862 37.462 ( -30.598 -7.172 17.339) 35.893 37.768 ( 3.473 -24.198 1.481) 24.490 37.853 ( -4.955 -19.557 2.334) 20.309 41.473 ( 10.327 16.688 -12.575) 23.308 41.706 ( -11.811 15.287 -11.579) 22.523 42.352 ( 14.106 -0.141 -3.099) 14.443 42.635 ( -13.180 -0.680 -6.046) 14.517 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 17.213 21.015) 27.165 2.208 ( 0.000 27.646 18.963) 33.525 3.264 ( 0.000 -19.992 -8.630) 21.775 3.370 ( 0.000 -1.787 6.528) 6.768 3.537 ( 0.000 6.720 -3.271) 7.474 3.618 ( 0.000 -1.395 -3.949) 4.188 3.788 ( 0.000 12.881 20.124) 23.893 3.925 ( 0.000 3.836 -0.894) 3.939 4.159 ( 0.000 2.877 2.637) 3.903 4.283 ( 0.000 0.677 -12.119) 12.137 4.499 ( 0.000 -3.799 2.353) 4.469 4.640 ( 0.000 -3.745 -10.412) 11.065 5.159 ( 0.000 -3.294 -12.105) 12.545 5.603 ( 0.000 2.917 13.588) 13.898 5.676 ( 0.000 -5.357 10.749) 12.010 5.982 ( 0.000 12.248 2.705) 12.543 6.142 ( 0.000 -5.522 21.773) 22.462 6.406 ( 0.000 5.608 1.614) 5.835 7.288 ( 0.000 -9.695 12.624) 15.917 8.003 ( 0.000 -7.811 -8.358) 11.440 8.116 ( 0.000 -8.000 -17.138) 18.913 8.151 ( 0.000 -3.409 -20.539) 20.820 8.504 ( 0.000 0.199 -20.696) 20.697 8.556 ( 0.000 -0.613 -11.233) 11.250 12.038 ( 0.000 6.977 45.710) 46.239 12.418 ( 0.000 1.090 34.107) 34.125 13.058 ( 0.000 45.814 19.073) 49.626 15.532 ( 0.000 16.421 -17.036) 23.661 16.191 ( 0.000 17.803 -30.796) 35.572 16.295 ( 0.000 -14.490 2.948) 14.786 16.626 ( 0.000 -57.855 -2.386) 57.904 17.158 ( 0.000 -7.585 -33.863) 34.703 17.783 ( 0.000 12.781 38.281) 40.358 18.194 ( 0.000 -6.691 17.588) 18.818 20.457 ( 0.000 -5.649 21.476) 22.206 20.540 ( 0.000 -8.096 9.860) 12.758 20.910 ( 0.000 0.701 -20.688) 20.700 20.965 ( 0.000 1.386 2.939) 3.249 22.365 ( 0.000 35.731 -13.026) 38.032 22.759 ( 0.000 12.223 28.559) 31.065 23.839 ( 0.000 -5.817 5.233) 7.825 24.146 ( 0.000 -10.466 -19.537) 22.164 25.057 ( 0.000 10.815 -12.170) 16.281 25.848 ( 0.000 -12.024 -14.572) 18.892 26.786 ( 0.000 3.961 6.268) 7.415 27.065 ( 0.000 -2.576 5.728) 6.280 27.328 ( 0.000 -5.033 2.635) 5.681 27.395 ( 0.000 -10.551 7.500) 12.945 34.260 ( 0.000 1.874 30.532) 30.589 34.398 ( 0.000 -2.166 24.997) 25.091 34.718 ( 0.000 29.609 10.110) 31.288 36.932 ( 0.000 -35.585 1.089) 35.602 37.320 ( 0.000 3.261 -15.657) 15.994 37.342 ( 0.000 1.405 -32.251) 32.282 37.547 ( 0.000 -2.531 -15.726) 15.929 37.863 ( 0.000 -11.547 -15.270) 19.145 41.681 ( 0.000 2.551 21.540) 21.690 41.747 ( 0.000 3.191 10.753) 11.216 42.612 ( 0.000 15.901 -4.442) 16.510 43.185 ( 0.000 -3.559 -6.096) 7.059 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 7.414 13.244 20.652) 25.630 2.408 ( 14.791 23.595 16.949) 32.600 3.210 ( -3.742 -18.751 -5.233) 19.824 3.444 ( 4.351 -6.218 -1.333) 7.705 3.499 ( -2.658 3.273 -2.733) 5.024 3.648 ( 2.515 0.493 -3.378) 4.241 3.806 ( 0.356 6.171 10.540) 12.219 3.933 ( 0.111 3.289 -0.141) 3.293 4.188 ( 4.122 9.943 5.643) 12.153 4.261 ( -2.605 2.596 -10.458) 11.086 4.457 ( -2.738 -4.753 2.848) 6.180 4.636 ( -1.156 -2.322 -7.315) 7.762 5.211 ( 5.361 -0.329 -6.993) 8.817 5.512 ( -4.795 0.344 7.960) 9.299 5.592 ( -7.598 0.960 8.843) 11.698 6.109 ( 13.035 3.875 7.084) 15.334 6.286 ( 5.292 13.370 5.656) 15.451 6.486 ( 11.446 -7.254 15.595) 20.660 7.331 ( 4.068 -12.124 11.544) 17.228 7.860 ( -12.452 -8.947 -9.670) 18.128 8.048 ( -5.897 -1.797 -19.630) 20.575 8.205 ( 1.546 -5.604 -16.649) 17.635 8.465 ( -3.738 -2.206 -15.496) 16.093 8.486 ( -5.195 -1.394 -7.871) 9.533 11.975 ( -0.047 22.027 28.520) 36.036 12.751 ( 26.786 -5.450 37.222) 46.180 13.429 ( 33.032 35.658 26.495) 55.359 15.407 ( -16.457 7.191 -23.114) 29.271 15.670 ( -17.582 4.825 -14.934) 23.568 16.597 ( 2.147 -57.082 -0.521) 57.124 16.867 ( 23.731 10.264 -1.833) 25.920 17.385 ( 18.090 1.082 -21.171) 27.868 17.726 ( -4.504 11.152 36.786) 38.702 18.622 ( 38.725 -16.351 -0.582) 42.039 20.479 ( 1.618 -6.407 22.208) 23.170 20.587 ( 4.664 -8.919 8.896) 13.433 20.906 ( -0.005 0.487 -16.616) 16.623 20.920 ( -4.150 2.924 -0.235) 5.082 22.365 ( -0.136 33.438 -15.356) 36.796 22.758 ( 0.537 13.288 26.871) 29.982 23.796 ( -4.052 -6.348 4.340) 8.692 24.108 ( -3.412 -10.191 -19.931) 22.644 24.986 ( -6.724 10.927 -10.224) 16.406 25.805 ( -4.334 -12.061 -14.531) 19.375 26.743 ( -4.226 4.446 7.670) 9.821 26.969 ( -10.260 2.516 10.114) 14.625 27.202 ( -5.345 -6.957 6.579) 10.965 27.437 ( -0.126 -10.904 2.438) 11.174 34.312 ( -3.937 12.218 12.898) 18.197 34.464 ( 18.519 0.742 29.646) 34.963 34.955 ( 19.440 16.046 20.528) 32.508 36.717 ( -26.633 3.571 -24.368) 36.275 37.004 ( -1.794 -34.844 1.039) 34.906 37.432 ( -6.020 -14.810 -12.839) 20.504 37.754 ( 14.223 2.270 -17.867) 22.949 37.993 ( 8.787 -5.222 -14.769) 17.961 41.685 ( -4.105 6.422 9.307) 12.029 41.724 ( 3.373 2.370 17.064) 17.555 42.569 ( -4.096 16.080 -4.842) 17.285 43.145 ( -3.857 -3.556 -6.271) 8.176 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 18.348 3.446 16.816) 25.126 2.714 ( 14.036 18.315 13.796) 26.884 3.138 ( -2.732 -16.312 -3.572) 16.921 3.436 ( -2.361 1.726 -3.232) 4.359 3.530 ( 3.443 -8.683 -2.158) 9.586 3.659 ( -2.730 -1.605 -3.696) 4.868 3.741 ( -6.132 -3.405 -0.858) 7.066 3.943 ( 0.639 2.969 0.208) 3.044 4.142 ( -8.185 4.549 -8.392) 12.574 4.297 ( 1.784 2.105 -1.745) 3.265 4.463 ( 3.510 1.027 8.715) 9.451 4.577 ( -3.830 -1.464 -1.972) 4.549 5.374 ( 8.014 11.939 10.101) 17.572 5.458 ( 1.537 1.788 -6.104) 6.544 5.534 ( 6.195 -0.449 1.696) 6.439 6.280 ( -2.849 22.144 -4.247) 22.727 6.445 ( 17.379 5.608 10.630) 21.130 6.856 ( 21.597 -14.302 22.064) 34.027 7.438 ( 5.244 -15.526 6.456) 17.614 7.530 ( -18.911 -7.080 -12.446) 23.721 7.826 ( -14.881 1.839 -15.094) 21.276 8.180 ( -4.037 -4.690 -10.512) 12.198 8.318 ( -9.041 -5.521 -2.792) 10.955 8.433 ( -1.780 -4.631 -5.203) 7.189 12.114 ( 13.381 33.205 7.673) 36.613 13.410 ( 35.578 -7.021 32.361) 48.604 14.264 ( 44.543 19.170 36.204) 60.516 14.871 ( -28.673 10.721 -33.408) 45.312 15.553 ( -0.590 -9.147 -5.151) 10.515 16.635 ( 2.352 -48.974 3.044) 49.125 17.189 ( 5.835 15.683 20.794) 26.690 17.610 ( -7.019 5.771 32.002) 33.267 17.904 ( 32.097 15.998 -19.642) 40.890 19.551 ( 44.780 -24.195 -12.731) 52.467 20.510 ( 1.065 -0.860 11.403) 11.485 20.685 ( 1.230 -5.128 4.390) 6.862 20.794 ( -3.648 3.316 2.900) 5.720 21.003 ( 11.227 -6.222 -9.242) 15.817 22.332 ( -4.364 25.246 -13.151) 28.798 22.840 ( 9.351 16.381 17.234) 25.550 23.664 ( -9.587 -8.157 -2.257) 12.788 24.040 ( -1.643 -7.998 -17.300) 19.130 24.795 ( -11.471 10.151 -6.198) 16.524 25.656 ( -10.655 -11.816 -14.294) 21.388 26.606 ( -9.145 6.597 15.223) 18.945 26.724 ( -10.745 8.047 12.904) 18.621 27.138 ( -1.786 -8.737 5.013) 10.230 27.389 ( -4.009 -12.184 1.732) 12.943 34.275 ( 0.888 22.310 1.202) 22.360 35.001 ( 32.245 -2.891 27.107) 42.225 35.450 ( 27.953 7.868 26.906) 39.589 36.112 ( -30.034 12.773 -25.548) 41.448 37.026 ( 2.578 -38.155 3.970) 38.448 37.299 ( -6.832 -27.257 -9.075) 29.529 37.916 ( 0.933 1.731 -6.327) 6.626 38.103 ( 0.125 -3.216 -6.239) 7.020 41.613 ( -1.383 12.894 1.110) 13.016 41.847 ( 8.252 0.914 9.582) 12.679 42.448 ( -7.515 16.504 -5.920) 19.076 43.029 ( -7.372 -3.515 -6.690) 10.557 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 20.098 -3.593 11.566) 23.465 2.971 ( 10.939 13.062 8.486) 19.034 3.117 ( 0.861 -10.844 -3.352) 11.383 3.391 ( -2.316 -0.159 -1.417) 2.720 3.542 ( -7.399 -2.573 -1.908) 8.063 3.584 ( -4.243 -2.455 -2.683) 5.588 3.630 ( 1.711 -6.996 1.801) 7.423 3.920 ( -3.273 0.301 -1.986) 3.840 3.973 ( -6.526 4.973 -1.719) 8.383 4.278 ( -3.097 -3.918 -1.128) 5.120 4.402 ( -6.534 -8.398 0.326) 10.646 4.525 ( -4.369 -4.998 1.278) 6.760 5.554 ( 11.997 5.724 -8.379) 15.713 5.626 ( 13.347 15.523 2.240) 20.594 5.859 ( 22.402 7.652 0.196) 23.674 6.178 ( -6.582 22.796 -3.484) 23.981 6.818 ( 17.579 7.431 7.090) 20.360 7.062 ( -19.202 -4.150 -10.005) 22.047 7.334 ( -2.483 -6.565 -5.356) 8.829 7.361 ( 3.288 -8.964 2.733) 9.932 7.672 ( 4.857 -10.873 12.772) 17.462 8.024 ( -11.623 0.973 -3.737) 12.248 8.131 ( -8.167 -13.474 5.359) 16.642 8.356 ( -6.477 -6.856 1.319) 9.523 12.492 ( 22.508 35.488 -9.974) 43.192 14.082 ( 11.756 -1.390 3.303) 12.290 14.294 ( -7.387 9.204 -9.539) 15.175 15.153 ( 28.574 -3.318 26.200) 38.909 15.605 ( 12.734 -7.163 13.346) 19.788 16.708 ( 4.924 -33.955 8.077) 35.248 17.174 ( -5.400 7.568 27.735) 29.252 17.404 ( -14.279 0.636 32.336) 35.354 18.594 ( 33.272 25.154 -17.073) 45.069 20.175 ( 12.787 -16.948 4.128) 21.628 20.325 ( -16.243 12.545 -12.126) 23.838 20.725 ( -0.304 -7.287 5.367) 9.055 20.980 ( 22.642 -0.553 5.466) 23.299 21.418 ( 29.424 -10.903 -15.932) 35.192 22.160 ( -12.086 16.927 -5.054) 21.404 23.177 ( 22.055 11.562 5.627) 25.529 23.367 ( -18.998 -7.327 -12.354) 23.817 24.105 ( 8.582 -4.066 -12.052) 15.344 24.526 ( -14.531 6.760 -3.171) 16.337 25.354 ( -18.892 -9.963 -13.451) 25.241 26.426 ( -6.750 9.685 21.222) 24.284 26.540 ( -7.900 8.927 12.712) 17.427 27.117 ( -0.201 -10.197 4.178) 11.021 27.292 ( -5.007 -12.790 2.341) 13.934 34.361 ( 7.656 26.737 -7.453) 28.793 35.489 ( -24.274 16.648 -21.082) 36.206 35.749 ( 33.872 -6.936 20.224) 40.055 36.086 ( 32.481 4.379 27.754) 42.947 37.105 ( 4.966 -34.565 4.594) 35.221 37.145 ( -8.065 -34.474 -5.845) 35.884 37.786 ( -13.427 1.069 6.707) 15.047 37.964 ( -13.481 -3.137 6.437) 15.265 41.654 ( 5.414 16.717 -6.541) 18.750 42.053 ( 10.983 0.466 0.112) 10.993 42.271 ( -8.988 16.166 -6.785) 19.702 42.845 ( -10.426 -3.299 -6.998) 12.983 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 11.618 -3.816 3.278) 12.660 3.132 ( 2.484 2.664 -0.612) 3.694 3.204 ( 9.394 -1.991 0.471) 9.614 3.335 ( -2.506 -0.229 3.061) 3.962 3.394 ( -6.297 -1.302 1.084) 6.521 3.424 ( -8.632 -0.790 -0.061) 8.668 3.733 ( 5.188 -4.242 0.762) 6.745 3.841 ( -5.227 -0.100 0.777) 5.285 3.923 ( 4.475 -1.748 2.093) 5.240 4.112 ( -11.336 -7.225 4.696) 14.240 4.352 ( 1.277 -8.978 -3.603) 9.758 4.417 ( -4.732 -7.235 -1.585) 8.789 5.782 ( 10.484 13.252 -8.989) 19.140 5.948 ( 2.517 17.739 -3.413) 18.239 6.087 ( 11.161 8.132 -9.457) 16.737 6.357 ( 23.217 11.284 -3.622) 26.066 6.557 ( -22.424 0.785 -14.606) 26.772 6.883 ( -24.160 8.310 -12.187) 28.307 7.252 ( 20.184 6.092 7.221) 22.286 7.617 ( -9.134 -3.502 5.823) 11.385 7.816 ( 7.387 -10.696 8.840) 15.720 7.861 ( 9.969 -10.650 13.560) 19.917 7.975 ( -7.366 -17.801 8.949) 21.242 8.155 ( -12.959 -8.312 8.158) 17.423 13.009 ( 27.261 32.077 -22.669) 47.812 13.593 ( -29.245 25.314 -30.265) 49.112 14.792 ( 25.206 -15.573 17.570) 34.447 15.190 ( -12.875 -21.820 8.626) 26.763 16.263 ( 37.413 4.606 42.488) 56.799 16.812 ( -0.144 -14.227 21.715) 25.960 16.985 ( -16.062 -2.993 32.551) 36.421 17.046 ( -11.562 -6.935 19.473) 23.684 19.244 ( 30.004 25.676 -13.587) 41.762 19.825 ( -26.276 21.702 -11.054) 35.828 20.435 ( 10.253 -12.355 5.823) 17.078 20.630 ( -7.948 -10.200 5.287) 13.970 21.448 ( 20.965 3.372 3.143) 21.466 21.839 ( -16.189 10.407 -2.851) 19.455 22.150 ( 35.581 -9.638 -20.509) 42.184 22.843 ( -30.050 -9.486 -20.267) 37.466 23.712 ( 25.712 6.285 3.753) 26.734 24.167 ( -17.741 5.074 0.695) 18.466 24.420 ( 18.749 -3.936 -13.128) 23.224 24.895 ( -24.672 -5.887 -12.748) 28.388 26.353 ( -0.369 10.238 19.937) 22.415 26.403 ( -4.964 9.791 16.382) 19.720 27.134 ( 1.927 -11.626 3.602) 12.323 27.196 ( -4.022 -12.577 3.049) 13.552 34.595 ( 15.229 26.953 -14.106) 34.020 34.983 ( -22.287 23.799 -19.210) 37.843 36.452 ( 30.037 -20.574 11.705) 38.243 36.758 ( 30.307 0.275 22.603) 37.809 36.921 ( -12.831 -31.791 0.744) 34.290 37.272 ( 11.471 -23.630 9.202) 27.832 37.380 ( -25.618 0.974 17.547) 31.067 37.602 ( -19.435 -7.079 13.765) 24.845 41.817 ( 9.844 17.913 -10.012) 22.760 42.033 ( -10.492 17.593 -10.022) 22.804 42.338 ( 12.925 -1.640 -3.887) 13.596 42.606 ( -12.652 -2.771 -6.487) 14.485 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 24.501 5.855) 25.191 2.716 ( 0.000 22.999 10.442) 25.259 2.854 ( 0.000 -21.204 -2.227) 21.320 3.142 ( 0.000 -17.967 6.309) 19.042 3.624 ( 0.000 2.135 -7.203) 7.513 3.658 ( 0.000 1.598 -7.380) 7.551 3.886 ( 0.000 2.690 -0.081) 2.691 3.956 ( 0.000 -1.705 -0.993) 1.973 4.272 ( 0.000 -0.268 -3.128) 3.139 4.287 ( 0.000 1.089 -0.175) 1.103 4.522 ( 0.000 7.148 6.163) 9.438 4.597 ( 0.000 -1.437 -13.423) 13.500 5.213 ( 0.000 12.007 2.495) 12.263 5.513 ( 0.000 -13.690 13.572) 19.277 5.687 ( 0.000 6.370 14.879) 16.185 5.881 ( 0.000 -15.187 21.315) 26.172 6.231 ( 0.000 13.364 4.551) 14.118 6.441 ( 0.000 -6.736 2.010) 7.029 7.328 ( 0.000 14.724 5.193) 15.613 7.693 ( 0.000 -20.592 -1.425) 20.642 8.081 ( 0.000 0.429 -19.869) 19.873 8.101 ( 0.000 -1.818 -19.524) 19.608 8.513 ( 0.000 0.816 -18.005) 18.024 8.534 ( 0.000 -1.358 -14.550) 14.613 12.194 ( 0.000 8.924 42.015) 42.952 12.347 ( 0.000 -6.733 39.160) 39.735 14.106 ( 0.000 62.380 10.203) 63.209 15.319 ( 0.000 -63.286 4.500) 63.445 15.836 ( 0.000 9.118 -15.707) 18.162 16.048 ( 0.000 -12.077 -7.833) 14.395 16.640 ( 0.000 19.792 -33.955) 39.303 16.958 ( 0.000 -13.806 -34.869) 37.503 17.971 ( 0.000 7.393 35.822) 36.577 18.083 ( 0.000 -5.307 27.948) 28.447 20.393 ( 0.000 -1.147 24.324) 24.351 20.420 ( 0.000 -4.129 19.145) 19.585 20.931 ( 0.000 1.546 -15.740) 15.815 20.962 ( 0.000 -1.317 -7.873) 7.982 22.908 ( 0.000 18.556 0.596) 18.566 22.975 ( 0.000 8.281 22.568) 24.039 23.741 ( 0.000 -1.283 -2.068) 2.433 23.890 ( 0.000 -14.637 -17.527) 22.835 25.307 ( 0.000 14.911 -15.319) 21.377 25.591 ( 0.000 -14.824 -15.797) 21.663 26.884 ( 0.000 6.092 7.357) 9.552 26.994 ( 0.000 -5.071 7.289) 8.880 27.253 ( 0.000 -2.188 3.035) 3.741 27.264 ( 0.000 -3.573 5.416) 6.488 34.302 ( 0.000 2.527 28.741) 28.852 34.352 ( 0.000 -2.639 26.756) 26.886 35.373 ( 0.000 39.294 8.101) 40.121 36.159 ( 0.000 -43.218 5.909) 43.620 37.385 ( 0.000 3.448 -16.606) 16.961 37.419 ( 0.000 2.183 -25.265) 25.359 37.521 ( 0.000 2.369 -21.173) 21.305 37.659 ( 0.000 -9.902 -23.259) 25.279 41.732 ( 0.000 2.590 19.412) 19.584 41.767 ( 0.000 -0.768 15.927) 15.945 42.887 ( 0.000 12.770 -4.748) 13.624 43.080 ( 0.000 -7.796 -5.363) 9.463 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.11 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.967 22.439 7.384) 23.642 2.790 ( 0.062 -14.164 -0.211) 14.165 2.872 ( 7.677 13.447 8.516) 17.672 3.220 ( 5.990 -15.692 3.574) 17.172 3.579 ( -3.892 4.096 -5.990) 8.234 3.655 ( -1.257 -2.404 -7.251) 7.742 3.841 ( -3.492 3.838 0.370) 5.203 3.944 ( -0.947 -3.762 -0.544) 3.917 4.265 ( -0.874 -0.472 -3.040) 3.198 4.281 ( -1.761 -0.716 -5.252) 5.586 4.535 ( 1.230 7.255 2.609) 7.807 4.601 ( -0.386 -1.555 -10.096) 10.222 5.329 ( 10.575 12.609 6.531) 17.705 5.492 ( -2.186 -3.534 7.650) 8.706 5.650 ( -2.888 7.772 13.712) 16.024 5.955 ( 11.421 -20.152 19.354) 30.185 6.394 ( 13.039 8.153 9.052) 17.845 6.521 ( 6.774 -1.520 3.168) 7.631 7.290 ( -3.390 10.269 4.606) 11.754 7.595 ( -9.063 -17.765 -3.464) 20.242 8.053 ( -3.607 1.812 -18.560) 18.993 8.109 ( -0.511 -4.155 -17.695) 18.184 8.446 ( -5.922 0.072 -13.827) 15.042 8.460 ( -5.832 -1.206 -11.392) 12.854 12.344 ( 14.243 16.723 33.958) 40.443 12.601 ( 22.713 -10.684 36.429) 44.239 14.288 ( 17.209 54.103 14.261) 58.538 15.345 ( -0.646 -46.152 2.949) 46.251 15.606 ( -17.238 -3.067 -19.851) 26.469 15.699 ( -14.776 -10.062 -13.864) 22.623 17.128 ( 28.842 13.945 -14.392) 35.121 17.331 ( 25.092 -6.992 -20.488) 33.140 17.985 ( 4.148 15.730 31.318) 35.291 18.300 ( 23.359 -17.370 15.107) 32.796 20.409 ( 1.923 -0.889 22.525) 22.625 20.449 ( 3.258 -5.097 16.842) 17.895 20.921 ( -0.811 1.200 -13.137) 13.217 20.941 ( -2.162 -0.463 -8.057) 8.355 22.891 ( -1.932 19.467 -0.383) 19.567 22.993 ( 2.127 8.218 17.446) 19.402 23.686 ( -5.178 -1.620 -2.344) 5.910 23.847 ( -3.707 -15.468 -16.969) 23.258 25.244 ( -6.095 15.568 -13.981) 21.794 25.541 ( -4.963 -15.487 -15.227) 22.279 26.853 ( -3.076 6.850 8.424) 11.285 26.974 ( -2.015 -4.414 7.537) 8.964 27.133 ( -8.384 2.468 6.503) 10.894 27.252 ( -3.249 -8.598 3.789) 9.942 34.449 ( 9.739 3.154 22.543) 24.758 34.473 ( 15.155 -0.060 26.586) 30.602 35.447 ( 7.655 34.791 11.278) 37.366 36.183 ( 2.532 -41.622 6.396) 42.187 36.936 ( -24.888 10.443 -23.049) 35.493 37.163 ( -17.561 -13.433 -17.741) 28.348 37.817 ( 13.496 4.068 -17.789) 22.696 37.900 ( 11.927 -4.736 -17.085) 21.368 41.754 ( 1.751 1.876 15.137) 15.353 41.765 ( 0.793 1.002 13.417) 13.477 42.846 ( -3.883 12.840 -5.091) 14.348 43.040 ( -3.838 -7.792 -5.634) 10.353 ======================= Grid point 155 (58/100) ======================= q-point: ( 0.22 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 9.376 14.614 7.562) 18.939 2.793 ( 2.161 -18.144 -0.138) 18.273 3.068 ( 9.285 16.901 7.535) 20.703 3.342 ( 5.396 -11.861 1.304) 13.096 3.487 ( -4.483 3.736 -3.900) 7.019 3.580 ( -5.609 -5.826 -5.204) 9.617 3.774 ( -3.189 6.636 0.585) 7.386 3.922 ( -1.451 -6.388 -0.106) 6.552 4.195 ( -6.407 1.225 -6.662) 9.324 4.224 ( -3.086 -2.772 -4.113) 5.842 4.515 ( -5.203 1.969 -1.226) 5.697 4.554 ( -4.123 -1.738 -2.572) 5.161 5.481 ( 2.929 1.852 -2.189) 4.099 5.512 ( 5.955 -1.395 -1.009) 6.199 5.794 ( 19.452 28.438 16.372) 38.146 6.322 ( 21.738 -23.137 15.256) 35.222 6.658 ( 4.976 12.831 4.524) 14.486 6.701 ( 15.937 2.715 13.148) 20.838 7.219 ( -2.174 -4.046 2.937) 5.452 7.340 ( -15.257 -12.162 -8.495) 21.280 7.893 ( -11.864 5.334 -13.873) 19.017 8.028 ( -7.675 -8.893 -10.905) 16.029 8.300 ( -7.630 1.857 -5.933) 9.843 8.354 ( -4.724 -3.642 -5.196) 7.910 12.731 ( 21.943 29.927 17.122) 40.869 13.182 ( 31.552 -17.792 27.152) 45.269 14.744 ( 21.847 30.530 19.814) 42.450 15.074 ( -18.549 6.666 -20.162) 28.195 15.359 ( -4.987 -7.413 -8.731) 12.492 15.728 ( 12.832 -42.667 3.593) 44.699 17.434 ( 1.840 10.593 20.377) 23.040 17.591 ( -2.477 -5.733 22.589) 23.437 18.405 ( 35.713 32.385 -7.706) 48.821 19.017 ( 40.274 -31.506 -5.611) 51.440 20.502 ( 7.701 1.240 12.489) 14.724 20.567 ( 7.347 -5.511 8.354) 12.415 20.872 ( -3.493 3.130 -4.021) 6.178 20.922 ( 2.583 -2.880 -6.526) 7.587 22.804 ( -7.360 23.098 -5.692) 24.902 23.072 ( 4.769 0.783 5.691) 7.466 23.542 ( -7.685 2.284 -5.088) 9.495 23.789 ( -0.055 -16.995 -11.605) 20.579 25.060 ( -11.733 16.651 -10.723) 23.020 25.381 ( -10.840 -16.660 -13.548) 24.054 26.760 ( -5.705 9.445 11.586) 16.000 26.900 ( -5.976 6.283 8.394) 12.068 26.970 ( -5.717 -4.978 7.976) 11.003 27.152 ( -5.886 -12.675 4.723) 14.751 34.678 ( 11.956 18.032 9.488) 23.625 34.911 ( 25.519 -7.503 20.993) 33.885 35.714 ( 18.819 22.037 19.638) 35.006 36.270 ( 4.914 -29.960 6.554) 31.059 36.434 ( -21.899 11.396 -18.410) 30.796 36.814 ( -16.139 -23.649 -15.007) 32.326 37.968 ( 0.602 3.412 -6.343) 7.227 38.037 ( 0.375 -3.747 -6.338) 7.373 41.788 ( 3.248 5.919 4.569) 8.152 41.850 ( 6.479 -1.102 7.544) 10.005 42.731 ( -7.267 12.978 -6.023) 16.048 42.925 ( -7.273 -7.754 -6.325) 12.371 ======================= Grid point 156 (59/100) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 14.440 5.751 6.085) 16.692 2.893 ( 7.442 -11.196 0.054) 13.444 3.223 ( 5.337 12.130 3.759) 13.775 3.408 ( -2.814 1.558 -1.808) 3.690 3.423 ( -0.459 -8.598 1.385) 8.721 3.476 ( -1.233 -4.798 -2.140) 5.396 3.686 ( -5.734 8.440 1.479) 10.310 3.866 ( -4.509 -7.980 0.284) 9.170 4.052 ( -6.084 4.368 -3.951) 8.467 4.158 ( -2.404 -6.997 -3.633) 8.243 4.340 ( -10.376 2.343 2.035) 10.830 4.426 ( -7.794 -5.502 0.549) 9.556 5.647 ( 12.949 4.323 -11.524) 17.865 5.710 ( 13.747 -1.890 -10.031) 17.123 6.268 ( 23.870 29.100 13.078) 39.845 6.580 ( -6.270 15.950 -4.492) 17.717 6.832 ( 19.504 -15.797 13.584) 28.539 6.925 ( -11.836 -11.036 -4.872) 16.900 7.091 ( 9.475 2.032 6.094) 11.448 7.248 ( 2.882 -9.325 -1.900) 9.943 7.633 ( -10.001 5.981 0.352) 11.659 7.830 ( -10.525 -13.896 -1.198) 17.473 8.114 ( -11.178 4.977 0.268) 12.239 8.226 ( -8.602 -6.684 1.338) 10.975 13.202 ( 23.340 37.687 0.218) 44.330 13.812 ( 28.260 -25.040 13.639) 40.145 14.596 ( -20.748 18.979 -20.071) 34.548 14.945 ( -8.064 -17.003 -5.950) 19.737 15.671 ( 32.170 13.939 25.495) 43.350 16.084 ( 20.705 -29.184 16.038) 39.213 17.313 ( -12.138 6.072 32.993) 35.676 17.393 ( -15.243 -2.361 33.910) 37.253 19.140 ( 32.545 31.320 -10.326) 46.333 19.716 ( 25.728 -28.877 -1.157) 38.693 20.516 ( -11.017 6.763 -3.708) 13.448 20.615 ( -4.404 -4.794 0.561) 6.534 21.038 ( 23.116 6.282 1.017) 23.976 21.203 ( 26.584 -10.794 -6.949) 29.522 22.562 ( -16.401 24.226 -11.453) 31.418 23.006 ( -15.152 -21.333 -12.663) 29.069 23.556 ( 12.688 19.116 -0.102) 22.943 23.902 ( 11.388 -16.117 -7.113) 20.977 24.767 ( -16.724 16.686 -6.977) 24.633 25.092 ( -17.227 -16.779 -11.241) 26.546 26.646 ( -4.542 13.128 14.133) 19.817 26.758 ( -6.716 13.531 9.816) 18.015 26.897 ( -2.104 -12.839 8.047) 15.298 27.030 ( -5.658 -14.641 6.039) 16.818 34.923 ( 12.060 31.337 -2.827) 33.697 35.442 ( 23.973 -21.098 8.439) 33.031 35.943 ( -20.453 25.516 -17.074) 36.890 36.212 ( 27.322 9.828 24.288) 37.855 36.496 ( -8.398 -31.321 -7.078) 33.191 36.530 ( 11.110 -25.443 11.338) 29.988 37.832 ( -13.637 3.280 6.709) 15.548 37.899 ( -13.623 -3.663 6.598) 15.574 41.904 ( 7.964 9.674 -3.393) 12.982 42.025 ( 10.382 -3.576 -0.819) 11.011 42.554 ( -9.812 12.953 -7.233) 17.787 42.746 ( -10.086 -7.546 -7.092) 14.455 ======================= Grid point 157 (60/100) ======================= q-point: ( 0.44 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 12.892 1.181 2.807) 13.247 3.080 ( 9.882 -4.423 -0.317) 10.831 3.233 ( -5.333 2.027 -1.339) 5.860 3.301 ( -8.606 -5.120 -0.312) 10.019 3.405 ( 4.105 7.404 3.688) 9.234 3.533 ( -5.552 7.193 2.421) 9.404 3.573 ( 4.687 -7.497 2.568) 9.206 3.731 ( -8.139 -10.184 1.905) 13.175 4.005 ( 2.177 7.413 -0.832) 7.771 4.116 ( -6.394 4.516 0.711) 7.860 4.179 ( 0.448 -7.747 -1.031) 7.828 4.270 ( -6.667 -8.156 -0.298) 10.538 5.970 ( 17.315 7.176 -14.447) 23.665 6.060 ( 19.712 -2.192 -13.909) 24.224 6.322 ( -15.805 13.281 -10.984) 23.384 6.491 ( -20.101 -4.466 -13.543) 24.646 6.752 ( 18.555 24.319 4.185) 30.874 7.107 ( -13.304 14.003 -4.206) 19.767 7.238 ( 14.198 -20.172 8.621) 26.130 7.366 ( 8.424 -6.574 8.397) 13.590 7.646 ( -3.315 -9.972 7.137) 12.703 7.690 ( 13.056 -8.492 12.790) 20.154 7.839 ( -14.914 6.675 6.676) 17.651 7.991 ( -13.997 -8.851 7.997) 18.390 13.676 ( 22.729 37.281 -12.029) 45.290 14.121 ( -17.943 27.785 -18.098) 37.702 14.354 ( 17.033 -28.496 1.000) 33.214 14.703 ( -14.612 -28.905 -5.699) 32.886 16.367 ( 32.832 6.747 36.100) 49.261 16.538 ( 22.410 -12.062 26.520) 36.756 16.972 ( -23.375 0.240 37.285) 44.007 16.985 ( -21.064 -1.304 32.316) 38.597 19.723 ( 24.892 24.213 -4.969) 35.079 20.123 ( 12.467 -13.818 3.345) 18.909 20.190 ( -15.743 10.363 -2.625) 19.030 20.430 ( -12.363 -11.391 2.871) 17.054 21.598 ( 28.252 12.289 -7.158) 31.630 21.878 ( 34.759 -15.860 -17.125) 41.868 22.143 ( -23.688 19.601 -11.531) 32.837 22.541 ( -28.307 -20.653 -18.232) 39.500 23.939 ( 21.657 15.881 -1.047) 26.876 24.237 ( 20.278 -14.127 -7.769) 25.906 24.381 ( -20.562 15.415 -3.718) 25.966 24.684 ( -21.866 -15.215 -9.263) 28.203 26.596 ( -0.054 14.917 13.863) 20.364 26.642 ( -4.253 14.800 11.981) 19.511 26.882 ( 0.788 -14.829 7.822) 16.784 26.930 ( -3.779 -15.283 7.136) 17.286 35.190 ( 14.343 35.513 -10.187) 39.632 35.517 ( -17.130 32.301 -14.703) 39.408 35.890 ( 16.257 -35.910 -3.376) 39.563 36.198 ( -14.071 -38.141 -9.271) 41.698 36.844 ( 30.557 4.785 24.099) 39.210 36.972 ( 25.760 -9.697 20.785) 34.491 37.428 ( -25.047 3.486 17.409) 30.701 37.502 ( -24.025 -4.403 16.737) 29.609 42.102 ( 10.833 11.916 -7.552) 17.787 42.258 ( 10.847 -3.513 -6.220) 12.989 42.339 ( -9.767 10.664 -7.674) 16.370 42.518 ( -11.943 -6.985 -7.247) 15.619 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 0.000 26.374) 26.374 2.561 ( 0.000 0.000 31.241) 31.241 3.136 ( 0.000 0.000 -5.087) 5.087 3.482 ( 0.000 0.000 -7.563) 7.563 3.536 ( 0.000 0.000 5.883) 5.883 3.729 ( 0.000 0.000 -12.227) 12.227 3.804 ( 0.000 0.000 -5.972) 5.972 3.847 ( 0.000 0.000 5.347) 5.347 3.969 ( 0.000 0.000 -9.804) 9.804 4.165 ( 0.000 0.000 6.889) 6.889 4.586 ( 0.000 0.000 16.797) 16.797 4.711 ( 0.000 0.000 -0.024) 0.024 5.235 ( 0.000 0.000 3.197) 3.197 5.671 ( 0.000 0.000 -8.622) 8.622 5.696 ( 0.000 0.000 0.913) 0.913 5.968 ( 0.000 0.000 24.109) 24.109 6.146 ( 0.000 0.000 18.457) 18.457 7.052 ( 0.000 0.000 24.033) 24.033 7.581 ( 0.000 0.000 -23.277) 23.277 7.732 ( 0.000 0.000 -25.649) 25.649 7.791 ( 0.000 0.000 -12.911) 12.911 8.007 ( 0.000 0.000 -9.653) 9.653 8.297 ( 0.000 0.000 -12.403) 12.403 8.309 ( 0.000 0.000 -3.820) 3.820 12.422 ( 0.000 0.000 31.577) 31.577 13.077 ( 0.000 0.000 54.527) 54.527 13.376 ( 0.000 0.000 34.898) 34.898 14.726 ( 0.000 0.000 -8.732) 8.732 15.014 ( 0.000 0.000 -40.765) 40.765 16.416 ( 0.000 0.000 -44.321) 44.321 17.374 ( 0.000 0.000 22.429) 22.429 17.914 ( 0.000 0.000 32.002) 32.002 18.071 ( 0.000 0.000 -4.029) 4.029 18.624 ( 0.000 0.000 19.157) 19.157 20.200 ( 0.000 0.000 -31.327) 31.327 20.335 ( 0.000 0.000 -27.769) 27.769 20.763 ( 0.000 0.000 0.505) 0.505 20.921 ( 0.000 0.000 -3.602) 3.602 21.862 ( 0.000 0.000 36.328) 36.328 23.285 ( 0.000 0.000 42.938) 42.938 23.804 ( 0.000 0.000 -24.285) 24.285 24.062 ( 0.000 0.000 8.772) 8.772 24.720 ( 0.000 0.000 -10.198) 10.198 25.695 ( 0.000 0.000 -24.326) 24.326 26.823 ( 0.000 0.000 5.486) 5.486 27.163 ( 0.000 0.000 -0.005) 0.005 27.500 ( 0.000 0.000 2.795) 2.795 27.744 ( 0.000 0.000 -3.216) 3.216 34.452 ( 0.000 0.000 19.329) 19.329 34.992 ( 0.000 0.000 39.227) 39.227 35.009 ( 0.000 0.000 30.280) 30.280 36.349 ( 0.000 0.000 -38.738) 38.738 36.859 ( 0.000 0.000 -22.583) 22.583 37.181 ( 0.000 0.000 -24.676) 24.676 37.934 ( 0.000 0.000 2.942) 2.942 38.135 ( 0.000 0.000 -3.019) 3.019 41.670 ( 0.000 0.000 5.610) 5.610 42.077 ( 0.000 0.000 -6.433) 6.433 42.104 ( 0.000 0.000 20.947) 20.947 43.057 ( 0.000 0.000 -10.026) 10.026 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 15.289 0.000 22.820) 27.468 2.665 ( 9.685 0.000 28.128) 29.748 3.200 ( 5.377 0.000 -5.418) 7.633 3.445 ( -2.891 0.000 -4.173) 5.076 3.587 ( 4.184 0.000 -0.412) 4.204 3.723 ( -1.434 0.000 -13.397) 13.474 3.798 ( -0.028 0.000 -2.905) 2.906 3.839 ( -0.100 0.000 5.111) 5.112 3.930 ( -3.614 0.000 -9.523) 10.186 4.171 ( 1.135 0.000 6.705) 6.801 4.594 ( 0.724 0.000 15.545) 15.562 4.689 ( -1.821 0.000 1.786) 2.551 5.246 ( 0.597 0.000 2.268) 2.345 5.598 ( -6.847 0.000 4.678) 8.293 5.638 ( -3.160 0.000 -7.758) 8.377 5.892 ( -5.678 0.000 22.352) 23.062 6.287 ( 10.667 0.000 14.756) 18.208 7.213 ( 14.045 0.000 21.509) 25.689 7.490 ( -10.195 0.000 -25.134) 27.122 7.620 ( -10.746 0.000 -24.530) 26.781 7.792 ( 1.001 0.000 -17.342) 17.371 8.032 ( 3.732 0.000 1.109) 3.893 8.342 ( 4.367 0.000 -10.062) 10.969 8.396 ( 6.696 0.000 -5.299) 8.540 11.960 ( -25.263 0.000 30.797) 39.833 13.608 ( 21.727 0.000 34.840) 41.060 13.816 ( 50.886 0.000 48.222) 70.105 14.543 ( -34.718 0.000 -40.490) 53.336 14.971 ( 22.216 0.000 -9.218) 24.053 16.847 ( 30.668 0.000 -33.019) 45.064 17.329 ( -4.223 0.000 22.254) 22.651 17.902 ( -0.629 0.000 28.121) 28.129 18.029 ( -4.049 0.000 -4.176) 5.817 18.913 ( 27.064 0.000 10.449) 29.011 20.038 ( -13.071 0.000 -30.355) 33.050 20.460 ( 9.256 0.000 -27.558) 29.070 20.848 ( 8.199 0.000 2.018) 8.444 21.090 ( 16.199 0.000 -4.537) 16.823 21.781 ( -7.519 0.000 35.824) 36.605 23.264 ( -1.878 0.000 42.694) 42.736 23.731 ( -7.175 0.000 -24.143) 25.187 24.019 ( -3.905 0.000 8.305) 9.177 24.680 ( -3.857 0.000 -9.948) 10.670 25.649 ( -4.688 0.000 -23.910) 24.366 26.792 ( -2.891 0.000 6.263) 6.898 27.099 ( -6.066 0.000 2.963) 6.751 27.465 ( -3.207 0.000 4.292) 5.358 27.691 ( -4.315 0.000 -3.650) 5.651 34.183 ( -17.598 0.000 16.179) 23.904 35.201 ( 19.861 0.000 38.833) 43.617 35.369 ( 26.325 0.000 30.620) 40.381 35.889 ( -31.251 0.000 -34.025) 46.199 37.217 ( 21.339 0.000 -23.087) 31.438 37.385 ( 17.980 0.000 -25.429) 31.144 37.942 ( 0.692 0.000 2.714) 2.800 38.134 ( -0.058 0.000 -3.007) 3.007 41.527 ( -12.768 0.000 7.085) 14.603 42.013 ( -6.173 0.000 -7.287) 9.550 42.100 ( -0.254 0.000 19.199) 19.201 43.017 ( -3.885 0.000 -10.045) 10.770 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 13.334 0.000 16.197) 20.980 2.926 ( 14.685 0.000 20.321) 25.072 3.277 ( -0.748 0.000 -7.231) 7.270 3.399 ( 0.212 0.000 -0.124) 0.245 3.648 ( -5.364 0.000 -9.807) 11.178 3.671 ( 2.346 0.000 -3.849) 4.507 3.777 ( -4.937 0.000 -4.179) 6.468 3.863 ( -0.228 0.000 -4.884) 4.889 3.880 ( 5.163 0.000 1.876) 5.493 4.245 ( 6.101 0.000 0.525) 6.124 4.633 ( 2.857 0.000 7.361) 7.896 4.657 ( 0.827 0.000 14.512) 14.536 5.244 ( -0.732 0.000 0.586) 0.938 5.465 ( -6.035 0.000 5.027) 7.855 5.547 ( -5.492 0.000 -6.524) 8.528 5.810 ( -1.066 0.000 15.848) 15.883 6.526 ( 12.648 0.000 13.089) 18.201 7.176 ( -19.034 0.000 -24.437) 30.975 7.278 ( -17.927 0.000 -25.690) 31.327 7.598 ( 18.431 0.000 21.367) 28.218 7.817 ( -0.240 0.000 -17.543) 17.545 8.152 ( 7.338 0.000 8.261) 11.050 8.453 ( 5.427 0.000 -5.497) 7.725 8.534 ( 5.953 0.000 -2.218) 6.352 11.580 ( -10.902 0.000 17.827) 20.897 13.739 ( -38.066 0.000 -44.335) 58.435 14.204 ( 34.342 0.000 34.016) 48.337 14.993 ( 57.794 0.000 50.856) 76.983 15.527 ( 28.654 0.000 -8.644) 29.929 17.212 ( -6.657 0.000 21.285) 22.302 17.436 ( 25.366 0.000 -13.817) 28.885 17.904 ( 0.778 0.000 20.732) 20.747 17.909 ( -7.504 0.000 -4.446) 8.722 19.606 ( 17.931 0.000 -10.049) 20.555 19.727 ( 2.332 0.000 -25.423) 25.530 20.680 ( 11.856 0.000 -22.834) 25.728 21.090 ( 14.941 0.000 6.185) 16.171 21.553 ( 27.025 0.000 -6.513) 27.798 21.578 ( -11.351 0.000 33.581) 35.448 23.227 ( -0.581 0.000 40.674) 40.678 23.504 ( -15.029 0.000 -22.378) 26.957 23.927 ( -4.133 0.000 5.262) 6.691 24.565 ( -7.235 0.000 -9.885) 12.250 25.487 ( -11.540 0.000 -22.260) 25.074 26.714 ( -4.388 0.000 8.533) 9.596 26.933 ( -9.336 0.000 10.568) 14.102 27.390 ( -3.386 0.000 3.403) 4.800 27.596 ( -4.647 0.000 -4.563) 6.512 33.864 ( -12.371 0.000 8.461) 14.988 35.213 ( -32.544 0.000 -30.601) 44.671 35.768 ( 34.068 0.000 37.244) 50.475 35.971 ( 30.439 0.000 30.703) 43.235 37.569 ( 11.765 0.000 -14.957) 19.030 37.801 ( 19.331 0.000 -21.026) 28.562 37.962 ( 1.312 0.000 2.179) 2.543 38.137 ( 0.348 0.000 -2.976) 2.996 41.219 ( -15.077 0.000 6.667) 16.485 41.831 ( -11.220 0.000 -9.527) 14.719 42.105 ( 1.159 0.000 13.997) 14.045 42.900 ( -7.379 0.000 -9.934) 12.375 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 6.656 0.000 6.993) 9.654 3.189 ( -5.890 0.000 -6.778) 8.980 3.211 ( 11.100 0.000 8.564) 14.020 3.431 ( 1.812 0.000 3.701) 4.121 3.527 ( -6.169 0.000 -6.497) 8.959 3.645 ( -3.938 0.000 0.208) 3.943 3.653 ( -3.705 0.000 0.279) 3.716 3.881 ( 0.322 0.000 -0.379) 0.498 4.063 ( 11.146 0.000 -0.534) 11.158 4.343 ( 2.273 0.000 -8.242) 8.550 4.624 ( -0.004 0.000 8.683) 8.683 4.858 ( 11.382 0.000 19.516) 22.593 5.229 ( -0.361 0.000 -1.507) 1.550 5.383 ( 1.472 0.000 -1.961) 2.452 5.423 ( -6.323 0.000 -5.686) 8.504 5.869 ( 6.884 0.000 5.927) 9.084 6.693 ( -16.503 0.000 -15.107) 22.373 6.860 ( -21.275 0.000 -21.514) 30.257 6.863 ( 9.045 0.000 4.511) 10.107 7.738 ( -7.680 0.000 -12.003) 14.250 7.986 ( 17.849 0.000 17.196) 24.784 8.316 ( 8.250 0.000 10.632) 13.457 8.528 ( 1.221 0.000 0.066) 1.223 8.614 ( 1.371 0.000 4.056) 4.281 11.528 ( 5.734 0.000 -1.196) 5.857 12.978 ( -35.381 0.000 -40.407) 53.707 14.937 ( 35.180 0.000 31.310) 47.095 16.007 ( 14.430 0.000 -0.965) 14.462 16.148 ( 52.892 0.000 47.332) 70.978 17.106 ( -1.519 0.000 15.408) 15.483 17.724 ( -10.456 0.000 -4.456) 11.366 17.885 ( 14.137 0.000 -7.765) 16.129 17.909 ( 2.937 0.000 21.359) 21.560 19.207 ( -24.235 0.000 -27.701) 36.806 20.412 ( 26.842 0.000 -6.695) 27.664 20.978 ( 17.260 0.000 -22.989) 28.747 21.377 ( -3.746 0.000 30.235) 30.466 21.441 ( 18.596 0.000 11.792) 22.019 22.049 ( 15.885 0.000 -0.566) 15.895 23.107 ( -23.780 0.000 -18.498) 30.128 23.342 ( 15.628 0.000 27.453) 31.590 23.889 ( 1.100 0.000 -1.328) 1.725 24.388 ( -9.771 0.000 -10.528) 14.363 25.154 ( -21.353 0.000 -18.404) 28.190 26.629 ( -3.504 0.000 11.882) 12.387 26.750 ( -7.801 0.000 15.381) 17.246 27.343 ( -1.033 0.000 0.079) 1.036 27.500 ( -4.679 0.000 -4.378) 6.408 33.703 ( -2.773 0.000 -0.929) 2.925 34.578 ( -28.560 0.000 -25.812) 38.495 36.538 ( 39.275 0.000 33.716) 51.762 36.597 ( 29.641 0.000 27.480) 40.420 37.679 ( -0.951 0.000 -3.498) 3.625 37.995 ( 1.948 0.000 1.744) 2.615 38.058 ( 3.314 0.000 -5.391) 6.328 38.139 ( -0.590 0.000 -1.503) 1.614 40.990 ( -5.565 0.000 -1.151) 5.683 41.565 ( -14.353 0.000 -12.295) 18.899 42.163 ( 4.736 0.000 6.232) 7.827 42.720 ( -9.917 0.000 -9.144) 13.489 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 4.534 0.000 -1.463) 4.765 3.068 ( -5.517 0.000 -5.604) 7.865 3.331 ( 2.381 0.000 -2.806) 3.680 3.401 ( -5.210 0.000 -5.360) 7.475 3.478 ( 2.982 0.000 5.585) 6.331 3.554 ( -4.324 0.000 4.212) 6.036 3.712 ( 7.405 0.000 7.064) 10.234 3.844 ( -4.264 0.000 3.474) 5.501 4.263 ( 7.068 0.000 -4.589) 8.427 4.348 ( -1.680 0.000 -8.367) 8.534 4.687 ( 6.921 0.000 15.486) 16.962 4.868 ( -8.172 0.000 19.098) 20.772 5.240 ( 1.668 0.000 -3.217) 3.624 5.305 ( -4.669 0.000 -4.478) 6.470 5.680 ( 23.928 0.000 -11.478) 26.539 6.088 ( 14.211 0.000 -5.008) 15.067 6.207 ( -25.796 0.000 -16.524) 30.635 6.437 ( -19.311 0.000 -14.498) 24.148 7.185 ( 16.916 0.000 4.300) 17.454 7.510 ( -14.031 0.000 -3.787) 14.533 8.301 ( 12.416 0.000 11.880) 17.184 8.475 ( 6.908 0.000 10.910) 12.913 8.486 ( -5.476 0.000 6.048) 8.158 8.587 ( -3.699 0.000 9.092) 9.816 11.797 ( 19.752 0.000 -19.383) 27.673 12.308 ( -29.339 0.000 -32.405) 43.714 15.592 ( 27.526 0.000 26.118) 37.945 16.019 ( -12.395 0.000 16.203) 20.401 17.105 ( 38.993 0.000 40.613) 56.301 17.218 ( 11.386 0.000 1.990) 11.559 17.482 ( -12.913 0.000 -3.398) 13.353 17.705 ( -18.783 0.000 29.586) 35.045 18.282 ( 19.443 0.000 -12.383) 23.052 18.715 ( -22.916 0.000 -22.459) 32.086 20.757 ( 11.837 0.000 3.508) 12.346 20.991 ( -10.480 0.000 2.535) 10.782 21.815 ( 35.804 0.000 -6.509) 36.391 21.820 ( 17.383 0.000 16.220) 23.775 22.103 ( -8.325 0.000 14.280) 16.530 22.530 ( -32.124 0.000 -14.302) 35.164 23.899 ( 34.639 0.000 2.571) 34.734 23.982 ( 7.627 0.000 -7.696) 10.835 24.175 ( -10.515 0.000 -10.560) 14.902 24.605 ( -31.730 0.000 -11.113) 33.620 26.587 ( -0.197 0.000 14.778) 14.780 26.627 ( -4.052 0.000 16.080) 16.583 27.351 ( 1.757 0.000 -2.312) 2.904 27.410 ( -3.863 0.000 -3.644) 5.311 33.765 ( 9.009 0.000 -10.536) 13.862 34.070 ( -20.280 0.000 -19.067) 27.835 37.153 ( 23.680 0.000 19.858) 30.904 37.314 ( 34.633 0.000 26.948) 43.882 37.536 ( -13.003 0.000 8.423) 15.493 37.888 ( -19.506 0.000 14.158) 24.102 38.043 ( 2.706 0.000 1.421) 3.056 38.102 ( -2.754 0.000 0.866) 2.887 41.020 ( 7.935 0.000 -10.917) 13.496 41.263 ( -14.320 0.000 -13.933) 19.979 42.302 ( 8.700 0.000 -1.484) 8.825 42.506 ( -10.623 0.000 -6.683) 12.550 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 12.843 23.825) 27.066 2.484 ( 0.000 -5.311 29.320) 29.797 3.235 ( 0.000 8.624 -5.807) 10.397 3.405 ( 0.000 -8.591 -4.884) 9.882 3.549 ( 0.000 -0.574 2.902) 2.958 3.627 ( 0.000 -7.673 -6.963) 10.361 3.817 ( 0.000 2.946 -2.450) 3.832 3.906 ( 0.000 2.936 -8.013) 8.534 3.922 ( 0.000 -3.136 -4.874) 5.796 4.147 ( 0.000 -2.296 -3.550) 4.228 4.626 ( 0.000 3.087 15.427) 15.733 4.661 ( 0.000 -5.073 -0.612) 5.110 5.208 ( 0.000 -1.099 9.854) 9.915 5.773 ( 0.000 8.286 -5.459) 9.922 5.788 ( 0.000 8.985 3.808) 9.759 5.980 ( 0.000 1.709 22.908) 22.972 6.181 ( 0.000 4.732 16.694) 17.352 6.986 ( 0.000 -7.052 24.288) 25.291 7.590 ( 0.000 0.922 -23.034) 23.052 7.646 ( 0.000 -8.697 -14.900) 17.253 7.792 ( 0.000 -0.575 -12.233) 12.246 7.979 ( 0.000 -1.833 -19.248) 19.335 8.170 ( 0.000 -9.581 -7.121) 11.937 8.339 ( 0.000 -0.717 -10.419) 10.444 12.645 ( 0.000 22.684 29.609) 37.299 13.046 ( 0.000 -1.866 53.014) 53.047 13.393 ( 0.000 2.132 35.150) 35.214 14.897 ( 0.000 14.837 -12.255) 19.244 15.124 ( 0.000 12.359 -39.489) 41.378 16.370 ( 0.000 -5.039 -41.742) 42.045 16.996 ( 0.000 -27.762 12.975) 30.644 17.587 ( 0.000 -44.924 -4.402) 45.139 18.240 ( 0.000 22.093 35.523) 41.833 18.624 ( 0.000 -0.073 20.335) 20.335 20.325 ( 0.000 8.382 -21.893) 23.443 20.363 ( 0.000 3.114 -26.328) 26.511 20.761 ( 0.000 0.095 3.934) 3.935 21.176 ( 0.000 23.795 -4.685) 24.252 21.837 ( 0.000 -1.014 29.885) 29.902 23.332 ( 0.000 4.712 40.986) 41.256 23.788 ( 0.000 -2.330 -24.674) 24.784 24.053 ( 0.000 -1.189 8.749) 8.829 24.722 ( 0.000 0.872 -10.842) 10.877 25.646 ( 0.000 -5.344 -23.230) 23.837 26.841 ( 0.000 1.957 5.416) 5.758 27.162 ( 0.000 -0.015 0.446) 0.446 27.459 ( 0.000 -4.205 2.389) 4.836 27.657 ( 0.000 -8.421 -1.317) 8.524 34.586 ( 0.000 14.135 18.385) 23.190 34.992 ( 0.000 0.093 38.762) 38.762 35.007 ( 0.000 -0.254 30.705) 30.706 36.403 ( 0.000 5.682 -37.327) 37.757 36.875 ( 0.000 1.623 -22.712) 22.770 37.166 ( 0.000 -1.607 -24.586) 24.638 37.692 ( 0.000 -24.392 3.389) 24.626 37.963 ( 0.000 -16.638 -4.995) 17.372 41.769 ( 0.000 9.083 6.090) 10.936 42.063 ( 0.000 0.385 12.646) 12.652 42.251 ( 0.000 12.529 1.376) 12.604 43.054 ( 0.000 -0.508 -9.733) 9.746 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 12.297 6.861 22.005) 26.125 2.598 ( 10.085 -2.756 25.333) 27.406 3.274 ( 2.916 6.109 -5.715) 8.860 3.380 ( -2.154 -7.611 -3.046) 8.476 3.566 ( 1.798 -3.501 -0.295) 3.946 3.633 ( 0.339 -6.085 -6.819) 9.145 3.830 ( 0.483 3.321 -2.376) 4.112 3.849 ( -3.381 -0.274 -4.744) 5.832 3.923 ( -1.232 -0.103 -7.940) 8.036 4.164 ( 1.918 -1.448 -3.743) 4.448 4.615 ( -0.728 -0.095 9.815) 9.843 4.650 ( -0.935 -2.392 4.565) 5.238 5.249 ( 3.674 2.238 10.453) 11.304 5.630 ( -8.458 4.660 4.740) 10.757 5.812 ( -1.484 13.553 -2.784) 13.915 5.890 ( -6.443 1.111 19.106) 20.194 6.318 ( 11.028 3.876 15.504) 19.417 7.149 ( 14.040 -6.725 21.617) 26.639 7.501 ( -10.152 1.000 -24.499) 26.538 7.564 ( -8.648 -6.203 -21.012) 23.553 7.794 ( 1.113 -0.359 -12.128) 12.184 7.965 ( 2.042 -5.814 -5.235) 8.086 8.268 ( 6.825 -6.711 -9.512) 13.494 8.374 ( 3.288 -3.071 -7.662) 8.886 12.140 ( -24.312 18.406 30.231) 42.939 13.610 ( 21.852 -0.496 35.539) 41.722 13.848 ( 50.041 5.145 44.250) 66.997 14.617 ( -32.977 7.732 -37.357) 50.426 15.131 ( 17.089 14.249 -11.971) 25.266 16.837 ( 32.618 -1.081 -33.137) 46.510 17.055 ( 5.670 -20.638 11.549) 24.320 17.556 ( -2.853 -42.259 -3.134) 42.471 18.179 ( -5.177 19.527 33.032) 38.720 18.889 ( 25.135 -2.630 12.331) 28.120 20.227 ( -8.724 14.003 -24.357) 29.418 20.465 ( 7.836 0.863 -25.276) 26.477 20.834 ( 7.055 -1.198 5.109) 8.793 21.256 ( 8.462 15.476 -0.805) 17.657 21.766 ( -6.235 0.435 26.798) 27.517 23.310 ( -1.903 4.659 40.524) 40.835 23.717 ( -6.985 -2.204 -24.440) 25.514 24.016 ( -3.288 -0.586 8.198) 8.852 24.680 ( -4.067 0.708 -10.374) 11.165 25.602 ( -4.444 -5.139 -22.942) 23.927 26.812 ( -2.703 2.184 6.186) 7.095 27.101 ( -5.855 0.249 3.088) 6.624 27.423 ( -3.237 -4.270 4.258) 6.844 27.614 ( -3.524 -7.509 -2.474) 8.656 34.303 ( -17.267 12.499 15.909) 26.598 35.192 ( 19.155 -0.939 38.159) 42.707 35.389 ( 26.596 2.305 30.506) 40.538 35.951 ( -30.260 6.585 -32.795) 45.106 37.219 ( 19.278 -0.695 -22.509) 29.644 37.346 ( 16.349 -3.693 -24.367) 29.575 37.698 ( 0.603 -24.409 3.125) 24.615 37.969 ( 0.789 -15.151 -5.485) 16.133 41.646 ( -10.965 10.969 6.974) 17.006 42.041 ( -2.354 1.623 7.585) 8.106 42.206 ( -3.869 11.445 3.924) 12.702 43.013 ( -3.970 -0.608 -9.777) 10.570 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 13.758 3.709 16.002) 21.426 2.845 ( 13.321 -4.425 18.177) 22.966 3.265 ( -4.056 -3.261 -4.776) 7.064 3.382 ( 2.342 -0.986 0.091) 2.543 3.610 ( -2.105 -4.625 -7.219) 8.829 3.625 ( 2.256 -4.411 -2.612) 5.600 3.741 ( -5.935 -1.957 -4.027) 7.435 3.868 ( 2.223 0.541 -1.697) 2.849 3.891 ( -0.994 1.280 -5.772) 5.995 4.233 ( 4.315 -2.390 -6.966) 8.536 4.595 ( -2.323 -3.988 1.040) 4.731 4.653 ( 3.041 -0.678 11.430) 11.847 5.337 ( 4.565 11.113 11.184) 16.414 5.459 ( -7.636 1.910 5.088) 9.372 5.751 ( -2.694 10.780 4.271) 11.904 5.800 ( -2.174 5.205 6.191) 8.375 6.573 ( 13.347 5.007 13.605) 19.706 7.180 ( -19.157 0.154 -23.063) 29.982 7.258 ( -15.093 -2.124 -24.702) 29.026 7.542 ( 17.442 -6.050 20.158) 27.334 7.831 ( 0.892 0.984 -14.063) 14.126 8.059 ( 6.259 -8.748 6.240) 12.435 8.405 ( 5.880 -5.056 -6.165) 9.907 8.452 ( 3.643 -8.075 -2.260) 9.143 11.793 ( -9.196 22.074 17.171) 29.439 13.824 ( -33.021 8.644 -38.964) 51.801 14.221 ( 30.299 1.252 30.733) 43.175 14.994 ( 55.089 0.667 45.816) 71.654 15.563 ( 22.125 1.254 -4.919) 22.700 17.199 ( 7.583 1.103 8.068) 11.127 17.443 ( 16.772 -7.770 -9.158) 20.629 17.499 ( 5.756 -26.169 -5.364) 27.327 18.058 ( -5.909 11.753 25.919) 29.066 19.589 ( 39.708 -5.892 -3.541) 40.298 19.943 ( -18.438 20.860 -27.292) 38.986 20.656 ( 10.162 -2.274 -21.481) 23.872 21.053 ( 14.178 -3.457 7.730) 16.514 21.442 ( 0.795 -7.146 27.757) 28.673 21.704 ( 8.772 9.731 -2.634) 13.363 23.274 ( -0.718 4.495 36.969) 37.249 23.497 ( -14.421 -1.528 -21.654) 26.061 23.943 ( -2.952 1.165 4.963) 5.891 24.558 ( -7.680 0.142 -9.592) 12.289 25.449 ( -10.877 -4.352 -21.685) 24.648 26.738 ( -4.182 2.661 8.388) 9.743 26.940 ( -9.051 0.867 10.179) 13.648 27.349 ( -3.373 -4.211 3.626) 6.500 27.533 ( -4.184 -6.357 -3.783) 8.498 34.000 ( -11.475 14.236 8.398) 20.121 35.299 ( -30.959 8.970 -29.134) 43.448 35.740 ( 32.532 -3.032 35.859) 48.511 35.991 ( 30.334 2.172 30.676) 43.195 37.519 ( 9.346 -10.137 -13.671) 19.417 37.709 ( 14.648 -8.612 -16.065) 23.384 37.718 ( 2.135 -22.932 0.870) 23.048 38.009 ( 3.210 -8.649 -7.143) 11.668 41.384 ( -12.704 15.147 5.864) 20.621 41.939 ( -8.251 8.887 -6.320) 13.675 42.139 ( -1.327 4.716 10.669) 11.740 42.894 ( -7.468 -0.804 -9.752) 12.309 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 5.984 5.431 6.004) 10.068 3.120 ( 7.906 -6.345 5.836) 11.696 3.187 ( 0.717 -3.067 0.146) 3.153 3.422 ( 1.531 -0.885 3.250) 3.700 3.514 ( -5.637 -1.034 -4.266) 7.145 3.602 ( -5.140 -3.265 0.478) 6.108 3.665 ( -0.798 0.596 -2.598) 2.782 3.889 ( 0.159 0.260 -1.748) 1.775 3.969 ( 8.288 -7.941 0.196) 11.480 4.306 ( 2.516 -4.353 -8.412) 9.800 4.524 ( -4.076 -7.186 4.328) 9.326 4.728 ( 0.518 -10.098 5.720) 11.617 5.365 ( -0.007 2.548 0.783) 2.666 5.458 ( 8.700 17.934 7.576) 21.324 5.675 ( -4.617 19.724 -4.843) 20.828 5.864 ( 8.437 0.397 6.443) 10.623 6.691 ( -17.951 -0.327 -16.303) 24.251 6.874 ( -16.534 2.601 -18.736) 25.124 6.934 ( 7.827 6.172 4.435) 10.910 7.767 ( -6.184 2.614 -9.972) 12.021 7.932 ( 17.297 -5.613 16.412) 24.496 8.206 ( 7.685 -11.068 10.458) 17.057 8.478 ( 0.742 -5.268 0.333) 5.331 8.502 ( 0.819 -11.145 2.946) 11.557 11.763 ( 6.003 24.294 -0.654) 25.033 13.121 ( -33.020 15.002 -37.934) 52.482 14.905 ( 32.666 -4.412 29.575) 44.285 15.810 ( 13.032 -18.599 4.617) 23.175 16.196 ( 47.251 2.825 40.951) 62.591 17.282 ( 0.362 12.866 14.456) 19.355 17.442 ( -0.720 -18.823 0.115) 18.837 17.933 ( 10.665 3.092 -5.671) 12.468 17.956 ( 5.583 5.702 17.464) 19.201 19.475 ( -25.173 23.831 -26.957) 43.912 20.354 ( 27.634 -6.748 -6.947) 29.282 20.897 ( 13.077 -8.150 -18.617) 24.167 21.342 ( 1.526 -3.330 29.044) 29.275 21.405 ( 16.954 -3.657 9.346) 19.702 22.013 ( 11.916 -2.426 -2.165) 12.351 23.097 ( -22.809 -2.207 -19.723) 30.235 23.388 ( 12.753 4.938 26.445) 29.772 23.933 ( 2.939 3.709 -1.703) 5.029 24.370 ( -10.467 -0.895 -9.014) 13.842 25.137 ( -19.789 -2.351 -18.574) 27.242 26.655 ( -3.499 2.933 11.574) 12.442 26.763 ( -7.554 1.503 14.918) 16.789 27.301 ( -1.178 -4.355 0.556) 4.546 27.444 ( -4.426 -5.756 -3.595) 8.102 33.854 ( -2.274 15.891 -0.665) 16.067 34.693 ( -27.157 12.201 -24.622) 38.634 36.468 ( 36.232 -7.356 30.969) 48.228 36.622 ( 30.637 2.049 28.238) 41.716 37.595 ( -1.353 -15.473 -4.164) 16.080 37.751 ( 2.314 -23.490 2.757) 23.764 37.898 ( 2.067 -13.534 -4.318) 14.356 38.058 ( -0.878 -2.286 -2.389) 3.421 41.196 ( -4.310 18.805 -1.207) 19.331 41.716 ( -12.704 14.276 -11.544) 22.326 42.167 ( 3.973 0.452 5.846) 7.083 42.713 ( -9.961 -0.958 -9.101) 13.527 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 3.433 3.742 -1.545) 5.308 3.076 ( -3.692 0.618 -4.518) 5.867 3.319 ( 3.960 -1.544 -1.273) 4.437 3.392 ( -4.144 -0.924 -3.252) 5.348 3.469 ( 1.504 -0.840 6.042) 6.283 3.517 ( -3.089 -3.412 6.460) 7.932 3.715 ( 6.319 0.691 2.712) 6.911 3.845 ( -4.713 0.294 1.921) 5.098 4.177 ( 10.183 -9.792 -0.638) 14.141 4.321 ( -2.717 -3.008 -7.055) 8.136 4.478 ( 2.042 -14.970 7.378) 16.814 4.617 ( -9.039 -16.625 7.075) 20.203 5.433 ( 4.995 10.945 -2.044) 12.204 5.541 ( -4.953 18.056 -2.032) 18.833 5.786 ( 19.141 9.836 -6.739) 22.551 6.113 ( 15.251 4.603 -3.649) 16.343 6.234 ( -22.973 1.954 -15.055) 27.536 6.474 ( -19.190 5.110 -13.641) 24.092 7.247 ( 16.385 6.286 5.065) 18.266 7.559 ( -13.263 4.944 -2.801) 14.429 8.247 ( 12.537 -5.732 11.636) 18.040 8.357 ( 6.580 -12.206 10.574) 17.439 8.433 ( -5.364 -5.603 6.001) 9.807 8.468 ( -3.960 -12.244 8.117) 15.215 12.020 ( 18.492 23.210 -17.564) 34.485 12.497 ( -27.307 19.709 -30.075) 45.151 15.494 ( 23.551 -11.679 22.252) 34.441 15.834 ( -8.653 -19.726 11.494) 24.415 17.093 ( 35.168 -1.168 35.034) 49.654 17.302 ( 2.807 6.860 14.038) 15.874 17.395 ( -2.264 -4.879 7.364) 9.119 17.720 ( -18.518 1.135 30.288) 35.519 18.415 ( 24.293 14.418 -17.795) 33.387 18.938 ( -26.326 21.410 -24.636) 41.933 20.703 ( 11.407 -5.963 2.746) 13.161 20.916 ( -8.734 -8.042 1.324) 11.946 21.705 ( 22.256 -6.808 9.914) 25.298 21.821 ( 22.619 -2.739 1.777) 22.853 22.066 ( -2.097 -3.963 7.630) 8.850 22.539 ( -30.801 -0.798 -15.821) 34.636 23.803 ( 21.603 -3.302 5.211) 22.466 24.099 ( 5.894 3.377 -6.139) 9.156 24.151 ( -0.915 1.441 -8.719) 8.884 24.641 ( -27.694 2.078 -13.095) 30.704 26.611 ( -0.435 2.689 14.400) 14.655 26.645 ( -3.763 2.104 15.716) 16.297 27.304 ( 1.526 -4.787 -1.640) 5.285 27.359 ( -3.630 -5.287 -2.874) 7.027 33.920 ( 8.746 16.203 -9.870) 20.891 34.210 ( -19.289 14.839 -18.068) 30.310 37.109 ( 24.235 -8.654 18.661) 31.788 37.261 ( 30.536 -4.224 24.082) 39.119 37.474 ( -10.729 -12.028 5.830) 17.140 37.776 ( -15.885 -13.908 10.567) 23.610 37.818 ( 4.278 -19.356 3.480) 20.126 37.938 ( -7.691 -6.527 5.705) 11.589 41.229 ( 7.116 19.295 -9.603) 22.697 41.446 ( -12.828 17.228 -12.695) 24.950 42.297 ( 8.452 -0.692 -1.703) 8.650 42.498 ( -10.579 -0.978 -6.796) 12.611 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.000 2.634 22.675) 22.828 2.602 ( 0.000 19.307 17.931) 26.349 3.169 ( 0.000 -15.112 0.458) 15.119 3.407 ( 0.000 8.395 -7.186) 11.050 3.466 ( 0.000 -7.589 3.129) 8.209 3.516 ( 0.000 -3.949 -7.132) 8.153 3.875 ( 0.000 -2.386 -2.804) 3.682 3.883 ( 0.000 3.435 -3.145) 4.657 3.951 ( 0.000 2.239 -15.098) 15.263 4.094 ( 0.000 -2.740 -15.175) 15.420 4.538 ( 0.000 -7.381 -1.429) 7.518 4.610 ( 0.000 -5.950 0.768) 5.999 5.311 ( 0.000 13.428 28.705) 31.690 5.866 ( 0.000 0.525 5.296) 5.322 5.955 ( 0.000 6.669 16.179) 17.499 6.088 ( 0.000 11.462 11.917) 16.535 6.358 ( 0.000 12.371 8.401) 14.954 6.785 ( 0.000 -14.363 25.893) 29.610 7.445 ( 0.000 -10.371 -3.430) 10.923 7.612 ( 0.000 1.351 -22.303) 22.344 7.757 ( 0.000 -2.862 -11.400) 11.754 7.946 ( 0.000 -14.001 -5.572) 15.069 7.982 ( 0.000 2.438 -28.391) 28.496 8.283 ( 0.000 -4.886 -14.771) 15.558 13.050 ( 0.000 2.635 49.802) 49.872 13.124 ( 0.000 17.777 32.910) 37.404 13.558 ( 0.000 24.428 27.832) 37.032 15.182 ( 0.000 15.577 -18.584) 24.249 15.457 ( 0.000 20.441 -35.863) 41.279 16.207 ( 0.000 -13.350 -27.004) 30.124 16.505 ( 0.000 -22.466 -12.168) 25.550 16.588 ( 0.000 -58.138 -1.761) 58.165 18.573 ( 0.000 12.153 35.635) 37.650 18.633 ( 0.000 1.357 23.605) 23.644 20.441 ( 0.000 4.178 -14.052) 14.660 20.445 ( 0.000 4.742 -23.059) 23.542 20.794 ( 0.000 4.657 14.342) 15.079 21.445 ( 0.000 -2.948 29.622) 29.768 22.059 ( 0.000 29.085 -12.251) 31.560 23.421 ( 0.000 1.483 26.838) 26.879 23.702 ( 0.000 -4.940 -16.111) 16.851 24.008 ( 0.000 -3.845 10.237) 10.935 24.788 ( 0.000 6.885 -13.097) 14.796 25.491 ( 0.000 -11.047 -20.369) 23.172 26.903 ( 0.000 4.747 5.076) 6.950 27.165 ( 0.000 0.344 2.240) 2.266 27.351 ( 0.000 -6.857 0.891) 6.914 27.474 ( 0.000 -9.891 0.974) 9.939 34.935 ( 0.000 13.472 25.319) 28.680 35.000 ( 0.000 -0.435 31.894) 31.897 35.033 ( 0.000 13.446 27.979) 31.042 36.556 ( 0.000 9.974 -32.297) 33.802 36.917 ( 0.000 2.681 -23.029) 23.184 37.066 ( 0.000 -27.800 -4.522) 28.165 37.152 ( 0.000 -11.644 -15.807) 19.633 37.590 ( 0.000 -21.305 -11.289) 24.111 41.944 ( 0.000 8.206 8.442) 11.773 42.080 ( 0.000 1.052 15.325) 15.362 42.522 ( 0.000 15.037 -3.002) 15.333 43.029 ( 0.000 -2.476 -8.778) 9.121 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 4.945 1.981 21.712) 22.356 2.746 ( 10.457 14.752 14.744) 23.331 3.154 ( -1.373 -14.509 1.318) 14.633 3.390 ( -1.054 4.888 -5.752) 7.622 3.453 ( -0.118 -7.035 -0.607) 7.062 3.560 ( 2.423 -2.381 -4.784) 5.867 3.825 ( -4.406 -1.703 -2.938) 5.563 3.895 ( 0.438 2.802 -4.173) 5.045 3.941 ( -0.672 2.065 -13.193) 13.370 4.110 ( 1.385 -3.914 -14.843) 15.412 4.534 ( -0.051 -5.650 -1.023) 5.742 4.602 ( -0.881 -5.656 0.513) 5.747 5.418 ( 9.838 15.765 27.523) 33.209 5.718 ( -9.399 3.543 9.537) 13.851 5.894 ( -9.566 2.618 20.066) 22.383 6.120 ( 4.167 14.291 -3.099) 15.205 6.458 ( 9.382 10.937 13.381) 19.664 6.962 ( 14.735 -13.061 23.894) 30.962 7.390 ( -5.482 -10.972 -12.374) 17.423 7.513 ( -11.768 -0.649 -22.326) 25.246 7.745 ( 0.366 -4.223 -2.887) 5.129 7.886 ( 1.256 -2.653 -16.650) 16.907 8.128 ( 7.122 -6.598 -13.279) 16.450 8.285 ( 0.383 -5.839 -11.717) 13.097 12.593 ( -17.953 27.461 30.626) 44.882 13.559 ( 21.647 -5.348 37.883) 43.958 14.080 ( 42.265 20.832 33.626) 57.888 14.819 ( -29.859 13.195 -30.878) 44.934 15.367 ( 1.843 7.337 -14.301) 16.179 16.587 ( 5.958 -49.857 -0.326) 50.213 16.750 ( 21.425 -16.075 -7.321) 27.767 16.807 ( 36.096 -3.424 -33.072) 49.075 18.509 ( -5.893 14.221 36.239) 39.373 18.829 ( 18.961 -3.283 18.177) 26.471 20.425 ( -1.965 6.682 -16.929) 18.305 20.498 ( 4.402 2.193 -21.161) 21.725 20.833 ( 4.193 2.378 13.771) 14.591 21.394 ( -4.474 -5.126 31.659) 32.382 22.018 ( -3.095 28.130 -14.465) 31.782 23.392 ( -2.738 0.014 22.631) 22.796 23.637 ( -6.134 -3.607 -12.470) 14.357 23.982 ( -2.206 -3.419 9.688) 10.508 24.745 ( -4.224 6.946 -12.312) 14.754 25.450 ( -4.101 -10.950 -20.215) 23.353 26.880 ( -2.157 5.142 5.731) 7.996 27.113 ( -5.047 1.159 3.492) 6.246 27.315 ( -3.173 -6.881 3.928) 8.535 27.444 ( -2.577 -9.651 -0.902) 10.030 34.620 ( -14.805 19.627 16.840) 29.799 35.164 ( 16.698 -2.097 36.185) 39.907 35.476 ( 25.767 8.131 28.525) 39.290 36.132 ( -27.230 12.450 -29.149) 41.786 37.052 ( 2.227 -26.307 -5.823) 27.035 37.140 ( 0.236 -24.663 -7.847) 25.883 37.324 ( 20.014 2.120 -23.661) 31.063 37.683 ( 8.646 -12.920 -14.297) 21.121 41.861 ( -7.400 10.340 8.259) 15.162 42.065 ( -1.284 0.872 13.264) 13.354 42.471 ( -4.842 15.082 -3.232) 16.166 42.985 ( -4.176 -2.610 -8.925) 10.194 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 13.342 -3.207 18.053) 22.676 2.945 ( 7.848 9.149 8.086) 14.515 3.121 ( -1.495 -9.788 2.688) 10.260 3.382 ( 0.497 0.550 -2.020) 2.152 3.480 ( 2.623 -6.571 -2.989) 7.681 3.572 ( -1.473 -3.180 -3.669) 5.074 3.720 ( -5.213 0.397 -1.549) 5.453 3.870 ( -2.706 1.074 -9.856) 10.277 3.941 ( 0.336 2.351 -4.717) 5.281 4.142 ( 1.558 -6.668 -12.707) 14.434 4.527 ( -2.221 -3.121 -1.572) 4.141 4.580 ( -0.469 -6.432 0.048) 6.450 5.509 ( -7.525 3.939 10.547) 13.542 5.686 ( 4.192 20.477 17.966) 27.562 5.731 ( 4.676 0.665 17.140) 17.779 6.158 ( -1.146 20.925 -6.728) 22.010 6.710 ( 13.702 9.184 13.869) 21.551 7.144 ( -17.237 -5.198 -21.115) 27.748 7.216 ( -8.180 -1.955 -16.013) 18.087 7.351 ( 14.079 -14.954 16.153) 26.130 7.786 ( 3.645 -6.426 3.850) 8.331 7.942 ( 2.327 -1.388 -10.270) 10.621 8.227 ( 1.513 -11.870 -5.193) 13.044 8.316 ( 3.018 -6.239 -6.901) 9.781 12.365 ( -4.501 37.078 16.469) 40.819 13.978 ( 0.587 1.064 -1.514) 1.941 14.271 ( -1.978 8.419 -1.558) 8.787 15.030 ( 39.067 2.457 29.708) 49.141 15.497 ( 15.179 -7.258 5.350) 17.656 16.709 ( 7.675 -43.056 4.797) 43.998 17.313 ( 29.273 9.617 -11.265) 32.807 17.505 ( 28.814 2.528 -16.307) 33.205 18.335 ( -10.581 17.473 34.916) 40.452 19.404 ( 35.325 -13.513 2.245) 37.888 20.301 ( -11.349 14.560 -20.261) 27.410 20.607 ( 5.586 -2.717 -17.799) 18.852 20.992 ( 11.822 -1.977 11.737) 16.776 21.292 ( -4.517 -8.705 33.505) 34.911 21.987 ( 1.098 21.086 -16.450) 26.766 23.291 ( -8.966 -8.952 -4.778) 13.541 23.490 ( -5.434 5.683 12.889) 15.098 23.940 ( -1.095 -2.278 6.544) 7.016 24.616 ( -8.287 6.842 -10.351) 14.921 25.312 ( -9.704 -10.325 -19.402) 24.025 26.819 ( -3.584 5.966 7.577) 10.288 26.972 ( -7.995 2.745 8.485) 11.977 27.243 ( -3.358 -6.734 4.431) 8.732 27.378 ( -3.668 -9.529 -2.076) 10.420 34.379 ( -8.412 25.319 8.812) 28.097 35.526 ( -16.895 11.152 -14.130) 24.687 35.662 ( 17.528 -1.923 20.403) 26.967 36.057 ( 29.094 5.159 29.725) 41.912 37.075 ( -1.070 -31.377 -9.489) 32.798 37.145 ( 2.196 -33.421 4.298) 33.768 37.683 ( 13.238 1.945 -16.047) 20.893 37.893 ( 9.830 -4.656 -13.490) 17.329 41.686 ( -8.241 15.039 5.791) 18.101 42.038 ( -1.087 1.424 6.515) 6.756 42.334 ( -8.065 14.335 -2.994) 16.718 42.862 ( -7.722 -2.931 -9.191) 12.357 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 12.003 -4.716 11.179) 17.068 3.067 ( 6.012 0.319 2.648) 6.577 3.106 ( -0.100 -0.091 1.873) 1.878 3.404 ( 1.021 -0.704 1.849) 2.226 3.479 ( -3.309 -3.175 -3.098) 5.534 3.574 ( -0.934 -0.656 1.658) 2.013 3.637 ( 0.498 -2.961 -1.178) 3.226 3.827 ( 0.436 -1.284 -6.115) 6.263 3.929 ( -1.927 0.334 -1.987) 2.788 4.178 ( 2.231 -8.525 -8.856) 12.493 4.418 ( -7.870 -4.302 0.932) 9.018 4.543 ( -5.025 -8.634 -0.596) 10.008 5.434 ( 2.176 4.692 0.721) 5.222 5.683 ( 4.380 1.021 5.163) 6.847 6.047 ( 11.688 22.383 10.612) 27.390 6.069 ( -2.655 20.987 -4.633) 21.656 6.671 ( -20.560 -2.184 -18.907) 28.017 6.958 ( -12.755 6.313 -16.922) 22.111 7.080 ( 14.045 8.667 10.507) 19.565 7.696 ( 13.578 -15.542 13.613) 24.723 7.862 ( 2.550 -0.465 0.408) 2.624 7.974 ( 3.065 -8.985 5.290) 10.868 8.212 ( -2.202 -17.437 2.017) 17.691 8.361 ( 0.108 -7.426 -1.386) 7.555 12.393 ( 6.856 41.258 0.996) 41.836 13.520 ( -26.238 26.546 -30.880) 48.442 14.702 ( 23.778 -19.242 22.092) 37.732 15.349 ( 2.001 -29.211 -0.754) 29.289 16.251 ( 45.740 3.629 39.629) 60.628 16.922 ( 13.231 -24.224 13.598) 30.770 17.687 ( 3.516 14.841 16.480) 22.454 17.965 ( 1.479 0.313 8.122) 8.262 18.240 ( 18.217 27.633 -1.164) 33.118 19.949 ( -21.956 23.879 -23.240) 39.904 20.119 ( 28.760 -19.382 -6.721) 35.327 20.714 ( 4.127 -10.033 -11.269) 15.643 21.274 ( 7.746 -3.371 24.202) 25.634 21.318 ( 17.752 -4.967 7.695) 19.975 22.033 ( 0.970 6.271 -7.576) 9.882 22.969 ( -21.415 -12.233 -21.460) 32.693 23.525 ( 9.221 9.334 22.059) 25.666 23.974 ( 5.293 -0.629 -0.290) 5.338 24.408 ( -11.732 6.005 -7.612) 15.220 25.040 ( -16.894 -8.308 -17.227) 25.518 26.744 ( -3.396 6.511 10.220) 12.585 26.816 ( -6.624 4.326 12.447) 14.749 27.189 ( -1.655 -7.167 2.254) 7.693 27.298 ( -4.000 -9.337 -1.428) 10.258 34.284 ( -0.647 29.209 0.278) 29.217 35.028 ( -23.116 23.164 -21.219) 39.002 36.218 ( 26.476 -21.150 21.948) 40.373 36.665 ( 28.667 1.815 26.526) 39.099 37.015 ( -3.546 -37.847 -5.492) 38.408 37.259 ( 9.133 -24.498 9.951) 27.975 37.827 ( 0.186 1.324 -3.365) 3.621 38.008 ( -0.149 -3.163 -3.003) 4.364 41.574 ( -1.806 19.182 -0.579) 19.275 41.995 ( -5.317 11.230 -7.316) 14.419 42.196 ( -2.391 4.723 1.766) 5.580 42.676 ( -10.128 -3.260 -8.976) 13.920 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 2.379 0.848 -0.171) 2.532 3.102 ( -0.493 4.470 -1.046) 4.617 3.258 ( 8.617 -4.852 3.150) 10.379 3.375 ( -3.574 -0.998 -1.187) 3.896 3.444 ( -0.022 -2.107 5.479) 5.870 3.483 ( -4.250 2.001 5.487) 7.223 3.726 ( 5.792 -1.571 -1.179) 6.116 3.852 ( -5.496 -0.875 -0.777) 5.620 3.954 ( 11.108 -8.926 1.563) 14.335 4.207 ( -11.368 -9.846 3.876) 15.531 4.251 ( 4.161 -7.035 -5.839) 10.044 4.388 ( -8.283 -8.219 -1.214) 11.732 5.592 ( 11.587 6.993 -7.543) 15.494 5.843 ( -8.162 12.060 -7.141) 16.219 5.885 ( 9.875 0.636 -7.891) 12.656 6.237 ( -20.133 -1.863 -14.678) 24.985 6.383 ( 15.230 23.301 3.834) 28.099 6.680 ( -13.853 16.975 -6.989) 22.998 7.400 ( 15.311 8.944 6.810) 18.995 7.674 ( -10.484 5.648 -0.011) 11.908 8.019 ( 8.137 -19.572 9.876) 23.384 8.119 ( 9.949 -9.778 10.424) 17.413 8.143 ( -4.511 -20.592 6.677) 22.112 8.299 ( -6.255 -8.717 5.002) 11.838 12.629 ( 15.640 40.164 -13.092) 45.046 13.020 ( -22.064 34.883 -23.960) 47.725 15.100 ( 14.571 -30.764 11.239) 35.848 15.306 ( -5.851 -35.013 2.768) 35.607 17.083 ( 31.550 0.854 31.012) 44.248 17.262 ( 21.180 -4.261 29.260) 36.372 17.523 ( -15.582 9.833 25.489) 31.451 17.734 ( -18.711 0.177 31.426) 36.575 18.829 ( 30.346 29.192 -23.401) 48.173 19.429 ( -27.766 28.899 -24.808) 47.133 20.509 ( 12.005 -15.828 -0.615) 19.875 20.697 ( -6.034 -14.535 -2.215) 15.893 21.605 ( 18.814 -3.207 10.341) 21.707 21.760 ( 20.799 -3.281 -1.481) 21.108 21.970 ( -2.256 -4.569 1.868) 5.427 22.443 ( -29.070 -9.740 -17.279) 35.192 23.821 ( 16.815 4.965 7.370) 19.019 24.139 ( -13.351 4.839 -2.741) 14.464 24.198 ( 16.123 -0.315 -8.057) 18.027 24.627 ( -22.433 -4.163 -13.242) 26.380 26.696 ( -0.937 6.357 12.546) 14.096 26.715 ( -2.967 5.578 13.429) 14.841 27.181 ( 0.877 -8.033 0.583) 8.102 27.223 ( -3.073 -8.832 -0.508) 9.365 34.360 ( 8.152 30.196 -7.986) 32.281 34.616 ( -16.585 27.979 -15.299) 35.944 36.650 ( 14.978 -37.940 6.973) 41.381 36.865 ( -6.797 -42.332 -1.814) 42.912 37.270 ( 24.625 1.490 21.312) 32.601 37.532 ( 16.644 -9.491 14.837) 24.233 37.682 ( -14.108 1.026 10.409) 17.562 37.864 ( -13.255 -3.456 9.989) 16.953 41.626 ( 6.540 20.657 -7.434) 22.907 41.811 ( -10.464 19.508 -10.692) 24.584 42.267 ( 7.524 -2.812 -2.394) 8.381 42.459 ( -10.504 -3.411 -7.159) 13.161 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.000 11.358 12.643) 16.995 2.830 ( 0.000 -10.606 4.658) 11.584 3.012 ( 0.000 13.496 12.764) 18.576 3.283 ( 0.000 -11.966 6.903) 13.815 3.478 ( 0.000 -0.004 -7.497) 7.497 3.496 ( 0.000 0.114 -7.580) 7.581 3.867 ( 0.000 2.718 -1.313) 3.019 3.918 ( 0.000 -0.570 -2.640) 2.701 3.996 ( 0.000 2.485 -19.493) 19.651 4.045 ( 0.000 -2.650 -20.570) 20.740 4.427 ( 0.000 -2.755 -2.406) 3.658 4.469 ( 0.000 -6.606 -3.335) 7.400 5.618 ( 0.000 15.375 24.350) 28.798 5.813 ( 0.000 -5.920 13.039) 14.320 6.113 ( 0.000 12.726 25.978) 28.928 6.338 ( 0.000 12.971 6.729) 14.613 6.432 ( 0.000 -16.249 26.410) 31.008 6.511 ( 0.000 -5.343 8.384) 9.942 7.388 ( 0.000 6.690 -2.307) 7.077 7.607 ( 0.000 -8.117 -14.747) 16.834 7.690 ( 0.000 -6.322 -9.110) 11.089 7.703 ( 0.000 -2.575 -15.418) 15.632 8.059 ( 0.000 5.384 -25.288) 25.854 8.173 ( 0.000 -6.391 -19.950) 20.949 13.130 ( 0.000 5.076 46.153) 46.431 13.209 ( 0.000 -2.334 42.062) 42.127 14.361 ( 0.000 53.402 14.050) 55.219 15.426 ( 0.000 -54.634 5.353) 54.896 15.501 ( 0.000 16.765 -16.615) 23.603 15.868 ( 0.000 14.633 -37.641) 40.385 15.869 ( 0.000 -20.444 -10.887) 23.162 16.168 ( 0.000 -15.560 -37.745) 40.827 18.673 ( 0.000 2.448 27.412) 27.521 18.693 ( 0.000 1.466 31.576) 31.610 20.493 ( 0.000 1.553 -13.380) 13.470 20.501 ( 0.000 0.958 -17.616) 17.642 20.970 ( 0.000 13.536 25.572) 28.934 21.247 ( 0.000 -14.436 32.690) 35.735 22.679 ( 0.000 32.553 -19.868) 38.137 23.209 ( 0.000 -22.424 -13.458) 26.152 23.749 ( 0.000 7.967 16.322) 18.163 23.903 ( 0.000 -7.317 14.619) 16.348 24.980 ( 0.000 12.978 -15.606) 20.297 25.245 ( 0.000 -14.402 -17.564) 22.714 27.017 ( 0.000 7.189 5.003) 8.758 27.147 ( 0.000 -4.712 6.666) 8.163 27.251 ( 0.000 -0.766 -2.658) 2.767 27.317 ( 0.000 -6.359 0.429) 6.373 34.982 ( 0.000 0.487 35.357) 35.361 34.991 ( 0.000 -0.477 33.603) 33.606 35.587 ( 0.000 35.915 12.607) 38.063 36.309 ( 0.000 -39.317 8.349) 40.194 36.826 ( 0.000 12.983 -27.533) 30.441 36.963 ( 0.000 1.125 -23.403) 23.430 37.085 ( 0.000 -1.778 -23.865) 23.931 37.212 ( 0.000 -17.324 -19.900) 26.384 42.056 ( 0.000 3.680 11.808) 12.368 42.090 ( 0.000 -0.286 14.428) 14.431 42.778 ( 0.000 11.584 -5.283) 12.732 42.948 ( 0.000 -6.489 -7.202) 9.694 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 1.653 10.341 13.105) 16.775 2.831 ( 0.107 -13.344 5.045) 14.266 3.077 ( 5.510 13.291 10.138) 17.601 3.302 ( 1.883 -9.486 4.054) 10.486 3.450 ( -2.051 2.491 -6.739) 7.472 3.515 ( 0.184 -3.627 -5.942) 6.964 3.838 ( -2.220 4.105 -0.479) 4.691 3.918 ( -0.026 -1.780 -2.090) 2.746 3.978 ( -1.645 2.173 -18.849) 19.045 4.035 ( -0.803 -3.620 -18.874) 19.234 4.449 ( 1.833 -2.065 -3.011) 4.086 4.483 ( 0.824 -5.196 -3.136) 6.125 5.698 ( 4.471 8.695 22.165) 24.226 5.754 ( -6.329 0.301 14.874) 16.167 6.037 ( -3.679 14.935 22.183) 26.994 6.277 ( 4.887 -1.773 7.618) 9.223 6.635 ( 11.568 4.306 10.917) 16.478 6.706 ( 15.550 -9.683 21.289) 28.085 7.274 ( -9.678 2.103 -9.789) 13.925 7.423 ( -13.856 -9.159 -14.471) 22.029 7.716 ( 2.218 1.950 -9.441) 9.892 7.799 ( 4.238 -6.052 -10.453) 12.801 8.090 ( 2.444 2.400 -19.480) 19.779 8.173 ( 0.326 -5.678 -16.446) 17.402 13.076 ( -1.443 21.987 34.725) 41.126 13.396 ( 14.387 -12.432 37.923) 42.422 14.657 ( 25.685 40.335 20.027) 51.843 15.087 ( -26.403 14.106 -22.870) 37.672 15.340 ( -14.963 -9.376 -13.995) 22.532 15.574 ( 11.730 -52.103 6.533) 53.805 16.655 ( 40.217 1.978 -25.188) 47.494 16.734 ( 41.529 -4.762 -32.877) 53.181 18.697 ( 0.309 6.149 32.673) 33.248 18.773 ( 9.729 -2.877 25.764) 27.690 20.501 ( 0.455 2.187 -14.129) 14.305 20.522 ( 1.747 0.027 -16.566) 16.658 20.959 ( -0.307 10.885 23.646) 26.032 21.199 ( -4.136 -13.134 31.606) 34.476 22.616 ( -5.761 31.946 -21.143) 38.739 23.147 ( -5.980 -23.177 -16.308) 28.963 23.716 ( -2.831 8.826 18.117) 20.350 23.879 ( -2.027 -7.532 14.612) 16.563 24.939 ( -4.064 13.092 -14.908) 20.253 25.205 ( -3.990 -14.427 -17.227) 22.821 27.001 ( -1.550 7.467 5.433) 9.363 27.127 ( -2.097 -2.869 6.437) 7.353 27.202 ( -4.319 -1.482 0.246) 4.573 27.280 ( -3.298 -7.199 -0.109) 7.919 34.949 ( -2.817 13.047 24.461) 27.865 35.104 ( 10.764 -4.788 32.418) 34.493 35.765 ( 16.046 24.212 19.499) 34.985 36.333 ( -1.357 -21.996 2.410) 22.169 36.452 ( -16.270 2.257 -16.767) 23.472 36.775 ( -14.160 -19.465 -19.120) 30.740 37.392 ( 19.916 4.739 -23.091) 30.860 37.501 ( 17.037 -7.164 -21.068) 28.025 42.008 ( -4.220 5.247 10.823) 12.747 42.065 ( -2.154 -1.155 12.938) 13.167 42.729 ( -4.661 11.730 -5.714) 13.855 42.902 ( -4.412 -6.621 -7.514) 10.944 ======================= Grid point 218 (78/100) ======================= q-point: ( 0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 8.112 5.454 12.415) 15.801 2.856 ( 2.916 -11.324 6.128) 13.202 3.194 ( 4.936 10.669 5.090) 12.810 3.358 ( 3.270 -6.121 0.954) 7.005 3.408 ( -1.218 1.448 -4.239) 4.642 3.479 ( -3.231 -5.698 -4.279) 7.824 3.791 ( -2.521 6.711 0.766) 7.210 3.905 ( -1.822 -0.717 -4.244) 4.674 3.939 ( -1.752 -0.176 -12.832) 12.952 4.018 ( -0.755 -5.749 -15.172) 16.242 4.476 ( -2.145 -2.270 -2.086) 3.755 4.478 ( 0.166 -2.615 -3.069) 4.035 5.585 ( -7.255 4.079 12.120) 14.702 5.659 ( -5.497 -3.729 13.900) 15.406 6.192 ( 16.093 26.156 18.458) 35.830 6.458 ( 7.752 5.343 -2.268) 9.684 6.878 ( 9.571 5.497 14.767) 18.436 7.002 ( -6.456 -11.351 -6.115) 14.419 7.050 ( 4.619 -5.437 3.355) 7.884 7.147 ( -5.594 -6.763 -8.955) 12.539 7.730 ( -0.351 2.138 -0.959) 2.369 7.854 ( 0.620 -9.080 -6.019) 10.911 8.118 ( -0.261 1.775 -11.111) 11.255 8.201 ( 2.057 -5.738 -9.719) 11.472 13.103 ( 4.226 38.981 18.448) 43.332 13.729 ( 16.345 -25.274 22.871) 37.803 14.586 ( -21.297 20.967 -21.841) 37.017 14.947 ( -7.233 -14.405 -8.412) 18.181 15.502 ( 37.047 13.156 27.425) 47.934 15.962 ( 24.990 -34.043 17.442) 45.691 17.477 ( 35.204 6.285 -18.543) 40.283 17.534 ( 32.510 -0.098 -19.144) 37.728 18.704 ( 1.487 21.137 29.586) 36.391 19.092 ( 21.676 -19.284 14.716) 32.531 20.481 ( -3.520 5.682 -14.832) 16.268 20.555 ( 0.987 -2.957 -14.350) 14.685 21.007 ( 6.238 3.855 18.383) 19.792 21.127 ( -1.086 -8.275 27.444) 28.685 22.464 ( -8.469 27.883 -21.961) 36.489 22.963 ( -11.981 -23.576 -21.237) 33.917 23.664 ( -1.163 10.520 20.027) 22.652 23.844 ( -0.553 -7.861 12.593) 14.856 24.811 ( -8.498 13.127 -12.952) 20.305 25.075 ( -8.885 -14.167 -16.053) 23.181 26.954 ( -2.944 7.981 6.723) 10.843 27.047 ( -5.617 4.700 5.401) 9.100 27.111 ( -3.905 -6.504 5.268) 9.236 27.197 ( -4.382 -9.133 0.176) 10.132 34.904 ( -1.039 28.715 12.184) 31.210 35.371 ( 13.416 -18.989 21.681) 31.790 35.967 ( -18.513 24.308 -19.098) 36.033 36.208 ( 23.160 11.967 24.698) 35.911 36.481 ( -6.933 -29.886 -9.704) 32.177 36.563 ( 8.191 -26.286 10.679) 29.531 37.738 ( 12.675 3.584 -15.705) 20.497 37.811 ( 11.887 -4.142 -15.172) 19.714 41.913 ( -4.169 8.810 7.164) 12.096 42.022 ( -1.439 -3.102 8.370) 9.042 42.592 ( -8.494 12.071 -6.765) 16.237 42.771 ( -8.096 -6.989 -8.235) 13.498 ======================= Grid point 219 (79/100) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 11.344 -0.161 9.928) 15.076 2.957 ( 6.872 -5.644 6.091) 10.779 3.250 ( 0.394 9.054 0.115) 9.064 3.399 ( 0.646 -2.372 0.868) 2.607 3.411 ( -2.241 -2.361 -1.901) 3.770 3.458 ( 5.224 -6.276 -0.497) 8.180 3.717 ( -5.125 8.061 1.110) 9.616 3.850 ( -3.159 -1.970 -2.409) 4.434 3.906 ( -1.106 0.991 -8.596) 8.723 4.017 ( 1.306 -7.995 -9.947) 12.829 4.372 ( -8.135 0.217 0.739) 8.171 4.422 ( -6.028 -4.549 -0.951) 7.611 5.532 ( 3.275 5.456 1.605) 6.562 5.630 ( 3.938 -4.699 2.848) 6.760 6.391 ( -13.614 13.658 -13.664) 23.634 6.527 ( 5.760 12.394 2.178) 13.840 6.635 ( -9.361 10.209 -8.337) 16.166 7.026 ( 7.092 -8.780 -0.873) 11.320 7.225 ( 10.293 7.079 8.539) 15.131 7.361 ( 12.241 -11.289 13.821) 21.640 7.753 ( 4.289 -5.061 7.732) 10.188 7.823 ( -2.948 -12.691 0.410) 13.035 8.075 ( -4.221 5.421 -4.068) 7.984 8.213 ( -1.700 -8.054 -2.838) 8.707 13.243 ( 9.170 47.072 4.221) 48.143 13.975 ( 1.820 -4.522 -5.297) 7.199 14.249 ( -6.294 -2.581 -4.789) 8.319 14.762 ( -9.198 -32.523 -10.184) 35.299 16.352 ( 41.643 7.532 36.253) 55.724 16.554 ( 31.187 -14.675 27.919) 44.356 17.861 ( 2.944 5.884 14.814) 16.209 17.941 ( 1.681 -2.819 11.777) 12.226 18.913 ( 21.910 39.415 -2.970) 45.193 19.614 ( 26.181 -33.438 -4.122) 42.668 20.318 ( -12.778 14.987 -16.370) 25.610 20.537 ( -3.496 -9.441 -10.840) 14.794 21.230 ( 12.404 -1.021 17.536) 21.504 21.243 ( 16.582 -2.515 11.260) 20.201 22.269 ( -11.046 18.109 -15.535) 26.292 22.651 ( -18.535 -20.427 -20.530) 34.385 23.719 ( 7.383 10.590 14.349) 19.302 23.895 ( 6.401 -7.438 5.769) 11.383 24.590 ( -12.939 12.343 -9.834) 20.408 24.835 ( -14.529 -12.853 -13.692) 23.744 26.888 ( -3.171 8.266 8.554) 12.310 26.931 ( -4.981 8.063 6.835) 11.685 27.043 ( -2.559 -8.125 5.416) 10.094 27.110 ( -3.984 -10.258 1.807) 11.152 34.920 ( 2.880 37.418 2.598) 37.618 35.515 ( -8.912 14.235 -9.377) 19.235 35.693 ( 2.134 -18.634 1.510) 18.817 36.241 ( -10.846 -38.075 -11.001) 41.090 36.773 ( 27.925 5.123 26.256) 38.670 36.924 ( 22.352 -11.658 21.752) 33.297 37.875 ( -0.001 3.307 -3.238) 4.628 37.942 ( -0.047 -3.681 -3.144) 4.841 41.872 ( 0.896 12.231 0.768) 12.288 42.031 ( 2.736 -4.590 1.297) 5.499 42.391 ( -10.721 12.116 -7.668) 17.903 42.578 ( -10.479 -7.465 -8.721) 15.543 ======================= Grid point 220 (80/100) ======================= q-point: ( 0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 7.235 1.715 3.793) 8.347 3.147 ( 9.249 -3.878 6.109) 11.743 3.216 ( -3.438 4.715 0.031) 5.835 3.317 ( -5.913 -5.068 1.556) 7.942 3.462 ( 4.388 4.514 1.909) 6.578 3.573 ( -1.597 2.905 1.467) 3.626 3.605 ( 2.302 -4.150 0.208) 4.750 3.749 ( -6.750 -8.739 -0.426) 11.051 3.961 ( 6.878 5.744 -3.024) 9.457 4.086 ( 4.561 -6.071 -4.133) 8.646 4.168 ( -9.674 1.125 0.722) 9.766 4.256 ( -8.893 -6.331 -1.012) 10.964 5.715 ( 13.596 6.182 -8.884) 17.378 5.820 ( 13.895 -4.777 -8.130) 16.793 6.047 ( -17.738 8.235 -14.349) 24.256 6.170 ( -19.523 -5.058 -15.558) 25.471 6.886 ( 12.953 28.400 7.117) 32.015 7.073 ( -4.202 22.559 0.043) 22.947 7.420 ( 8.608 -18.238 8.235) 21.784 7.525 ( 1.289 -17.215 6.199) 18.342 7.792 ( 3.241 -2.571 6.558) 7.754 7.924 ( 8.741 -8.472 8.917) 15.089 7.944 ( -6.534 4.892 3.762) 8.987 8.119 ( -7.393 -10.082 4.006) 13.128 13.471 ( 12.784 47.798 -7.116) 49.987 13.758 ( -14.715 42.035 -15.594) 47.187 14.371 ( 10.036 -44.748 0.470) 45.862 14.572 ( -9.435 -42.011 -6.372) 43.527 17.126 ( 32.276 3.269 34.341) 47.241 17.192 ( 30.081 -3.527 35.397) 46.586 17.663 ( -19.872 5.005 31.052) 37.205 17.722 ( -19.596 -1.629 31.789) 37.379 19.455 ( 27.054 35.328 -18.631) 48.240 19.961 ( -21.519 26.298 -18.381) 38.633 20.079 ( 18.685 -29.338 -8.922) 35.909 20.387 ( -11.249 -19.011 -8.764) 23.764 21.595 ( 20.179 2.129 6.167) 21.207 21.674 ( 24.568 -5.602 -0.340) 25.201 21.988 ( -16.327 7.364 -3.666) 18.283 22.205 ( -24.473 -13.976 -12.901) 30.995 23.962 ( 15.124 9.030 3.381) 17.936 24.123 ( 15.523 -7.125 -3.106) 17.360 24.289 ( -15.878 10.303 -4.939) 19.561 24.489 ( -18.531 -9.923 -9.614) 23.114 26.842 ( -0.975 8.776 9.238) 12.779 26.855 ( -2.278 9.133 8.270) 12.529 27.015 ( -0.057 -9.350 4.498) 10.376 27.041 ( -2.518 -10.179 3.346) 11.007 35.030 ( 7.878 40.323 -5.053) 41.395 35.243 ( -12.692 38.055 -11.285) 41.673 35.845 ( 8.530 -44.701 -0.908) 45.516 36.030 ( -9.598 -44.315 -6.818) 45.852 37.323 ( 24.381 3.711 21.032) 32.412 37.405 ( 22.786 -5.106 19.805) 30.619 37.728 ( -14.065 3.290 10.435) 17.820 37.796 ( -13.921 -3.736 10.404) 17.776 41.958 ( 7.169 14.200 -5.498) 16.831 42.112 ( -0.750 6.934 -7.795) 10.459 42.196 ( -2.048 -0.130 -4.918) 5.329 42.356 ( -10.634 -7.921 -7.787) 15.378 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 0.000 18.890) 18.890 2.950 ( 0.000 0.000 -11.877) 11.877 3.105 ( 0.000 0.000 20.758) 20.758 3.422 ( 0.000 0.000 1.981) 1.981 3.447 ( 0.000 0.000 -13.403) 13.403 3.521 ( 0.000 0.000 -5.186) 5.186 3.757 ( 0.000 0.000 -0.652) 0.652 3.802 ( 0.000 0.000 -5.414) 5.414 3.954 ( 0.000 0.000 4.733) 4.733 4.063 ( 0.000 0.000 -6.622) 6.622 4.761 ( 0.000 0.000 4.658) 4.658 4.851 ( 0.000 0.000 -0.506) 0.506 5.328 ( 0.000 0.000 5.948) 5.948 5.484 ( 0.000 0.000 -8.746) 8.746 6.138 ( 0.000 0.000 38.282) 38.282 6.515 ( 0.000 0.000 27.705) 27.705 6.548 ( 0.000 0.000 17.116) 17.116 7.091 ( 0.000 0.000 -25.847) 25.847 7.099 ( 0.000 0.000 -22.087) 22.087 7.103 ( 0.000 0.000 -36.919) 36.919 7.604 ( 0.000 0.000 18.950) 18.950 7.992 ( 0.000 0.000 -16.869) 16.869 8.114 ( 0.000 0.000 6.946) 6.946 8.230 ( 0.000 0.000 -4.314) 4.314 13.168 ( 0.000 0.000 39.303) 39.303 13.942 ( 0.000 0.000 -14.885) 14.885 14.021 ( 0.000 0.000 26.379) 26.379 14.396 ( 0.000 0.000 25.870) 25.870 14.467 ( 0.000 0.000 -16.552) 16.552 15.407 ( 0.000 0.000 -51.298) 51.298 17.745 ( 0.000 0.000 13.451) 13.451 17.956 ( 0.000 0.000 -7.346) 7.346 18.634 ( 0.000 0.000 35.706) 35.706 19.065 ( 0.000 0.000 15.920) 15.920 19.528 ( 0.000 0.000 -26.334) 26.334 19.757 ( 0.000 0.000 -26.968) 26.968 20.790 ( 0.000 0.000 2.076) 2.076 20.847 ( 0.000 0.000 -3.317) 3.317 22.593 ( 0.000 0.000 33.468) 33.468 23.247 ( 0.000 0.000 -29.122) 29.122 24.212 ( 0.000 0.000 44.148) 44.148 24.268 ( 0.000 0.000 10.622) 10.622 24.496 ( 0.000 0.000 -11.042) 11.042 25.061 ( 0.000 0.000 -36.226) 36.226 26.957 ( 0.000 0.000 7.054) 7.054 27.097 ( 0.000 0.000 -5.722) 5.722 27.577 ( 0.000 0.000 4.357) 4.357 27.668 ( 0.000 0.000 -4.090) 4.090 34.937 ( 0.000 0.000 27.190) 27.190 35.572 ( 0.000 0.000 -28.569) 28.569 35.679 ( 0.000 0.000 26.478) 26.478 35.817 ( 0.000 0.000 38.855) 38.855 36.317 ( 0.000 0.000 -29.045) 29.045 36.575 ( 0.000 0.000 -33.188) 33.188 38.001 ( 0.000 0.000 3.307) 3.307 38.070 ( 0.000 0.000 -3.262) 3.262 41.797 ( 0.000 0.000 6.507) 6.507 41.937 ( 0.000 0.000 -6.843) 6.843 42.499 ( 0.000 0.000 16.984) 16.984 42.814 ( 0.000 0.000 -13.314) 13.314 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 10.292 0.000 16.576) 19.511 3.032 ( 6.667 0.000 -10.289) 12.260 3.158 ( 4.815 0.000 18.790) 19.397 3.417 ( -0.234 0.000 2.485) 2.496 3.464 ( 1.220 0.000 -11.870) 11.932 3.521 ( 0.498 0.000 -5.609) 5.631 3.753 ( -0.217 0.000 -1.477) 1.493 3.777 ( -2.223 0.000 -4.458) 4.982 3.937 ( -1.137 0.000 4.732) 4.866 4.059 ( -0.020 0.000 -7.505) 7.505 4.744 ( -1.335 0.000 5.095) 5.267 4.841 ( -0.720 0.000 -1.204) 1.403 5.322 ( -0.774 0.000 5.247) 5.304 5.464 ( -1.998 0.000 -8.114) 8.356 6.061 ( -6.585 0.000 36.614) 37.202 6.415 ( -8.535 0.000 27.015) 28.332 6.640 ( 6.408 0.000 10.298) 12.128 6.922 ( -9.267 0.000 -22.139) 24.000 6.994 ( -9.457 0.000 -27.754) 29.321 7.244 ( 6.875 0.000 -27.372) 28.222 7.719 ( 10.750 0.000 19.454) 22.227 8.082 ( 8.144 0.000 -14.968) 17.040 8.176 ( 5.729 0.000 7.139) 9.154 8.299 ( 6.256 0.000 -4.809) 7.891 12.691 ( -31.580 0.000 38.967) 50.157 13.562 ( -33.609 0.000 -43.528) 54.993 14.254 ( 21.649 0.000 26.511) 34.228 14.705 ( 21.802 0.000 -16.821) 27.537 14.954 ( 47.740 0.000 51.235) 70.030 15.991 ( 43.606 0.000 -46.905) 64.043 17.699 ( -4.419 0.000 13.447) 14.155 17.911 ( -4.300 0.000 -7.461) 8.611 18.561 ( -6.481 0.000 34.054) 34.666 19.193 ( 7.116 0.000 -6.394) 9.566 19.446 ( -2.099 0.000 -5.181) 5.590 19.884 ( 11.362 0.000 -27.061) 29.350 20.907 ( 11.260 0.000 3.585) 11.817 20.994 ( 14.039 0.000 -4.568) 14.764 22.512 ( -7.622 0.000 33.702) 34.553 23.172 ( -7.230 0.000 -29.329) 30.207 24.184 ( -2.717 0.000 43.739) 43.823 24.224 ( -4.198 0.000 10.784) 11.573 24.455 ( -3.896 0.000 -11.202) 11.860 25.024 ( -3.717 0.000 -35.784) 35.976 26.938 ( -1.795 0.000 7.321) 7.538 27.073 ( -2.282 0.000 -4.797) 5.312 27.547 ( -2.995 0.000 3.648) 4.720 27.618 ( -4.407 0.000 -3.320) 5.518 34.609 ( -23.163 0.000 24.551) 33.753 35.194 ( -27.620 0.000 -31.124) 41.612 36.018 ( 19.004 0.000 38.555) 42.984 36.035 ( 26.506 0.000 31.795) 41.394 36.673 ( 24.780 0.000 -28.810) 38.001 36.773 ( 18.302 0.000 -33.168) 37.883 38.004 ( 0.319 0.000 3.139) 3.155 38.070 ( 0.048 0.000 -3.152) 3.152 41.684 ( -10.483 0.000 7.917) 13.136 41.852 ( -8.118 0.000 -8.005) 11.401 42.470 ( -2.731 0.000 16.238) 16.466 42.776 ( -3.690 0.000 -13.101) 13.611 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 5.682 0.000 11.057) 12.431 3.129 ( 0.581 0.000 -7.196) 7.220 3.273 ( 5.172 0.000 12.366) 13.404 3.445 ( 3.822 0.000 4.520) 5.919 3.467 ( -1.558 0.000 -7.850) 8.004 3.568 ( 3.855 0.000 -6.156) 7.264 3.718 ( -2.091 0.000 0.133) 2.095 3.777 ( 2.349 0.000 -4.149) 4.768 3.941 ( 2.643 0.000 4.575) 5.284 4.084 ( 2.844 0.000 -9.035) 9.472 4.732 ( 0.916 0.000 6.004) 6.074 4.848 ( 2.496 0.000 -2.720) 3.692 5.288 ( -2.464 0.000 3.787) 4.518 5.401 ( -4.098 0.000 -6.699) 7.853 5.889 ( -10.070 0.000 32.097) 33.639 6.222 ( -9.050 0.000 22.703) 24.440 6.564 ( -14.070 0.000 -29.244) 32.453 6.733 ( -14.791 0.000 -25.860) 29.791 6.919 ( 8.781 0.000 18.930) 20.868 7.377 ( 5.494 0.000 -22.816) 23.468 7.999 ( 15.078 0.000 16.642) 22.456 8.285 ( 10.505 0.000 -10.799) 15.066 8.330 ( 8.717 0.000 7.659) 11.603 8.460 ( 8.754 0.000 -4.853) 10.009 12.096 ( -24.959 0.000 31.052) 39.839 12.847 ( -33.762 0.000 -40.256) 52.540 14.835 ( 32.660 0.000 25.840) 41.646 15.272 ( 30.855 0.000 -16.234) 34.865 16.027 ( 53.335 0.000 47.297) 71.285 16.910 ( 42.545 0.000 -35.615) 55.485 17.571 ( -7.722 0.000 13.349) 15.421 17.786 ( -7.728 0.000 -7.692) 10.903 18.402 ( -7.946 0.000 27.247) 28.382 19.030 ( -16.296 0.000 -32.149) 36.043 19.769 ( 26.589 0.000 15.749) 30.903 20.192 ( 17.760 0.000 -22.933) 29.005 21.237 ( 20.229 0.000 7.712) 21.649 21.401 ( 24.647 0.000 -7.812) 25.855 22.297 ( -12.759 0.000 33.763) 36.093 22.958 ( -13.348 0.000 -29.308) 32.205 24.103 ( -4.892 0.000 41.609) 41.896 24.105 ( -7.004 0.000 10.485) 12.609 24.337 ( -7.465 0.000 -11.433) 13.655 24.901 ( -8.545 0.000 -33.809) 34.872 26.891 ( -2.531 0.000 7.971) 8.363 27.011 ( -3.506 0.000 -2.292) 4.189 27.455 ( -5.629 0.000 2.778) 6.278 27.513 ( -5.321 0.000 -3.141) 6.179 34.144 ( -20.749 0.000 18.254) 27.636 34.613 ( -27.585 0.000 -26.241) 38.072 36.550 ( 31.177 0.000 36.648) 48.115 36.604 ( 27.532 0.000 29.230) 40.154 37.162 ( 21.294 0.000 -23.678) 31.845 37.258 ( 26.856 0.000 -30.587) 40.704 38.015 ( 0.786 0.000 2.728) 2.839 38.074 ( 0.468 0.000 -2.948) 2.985 41.400 ( -16.148 0.000 10.051) 19.020 41.619 ( -14.031 0.000 -10.616) 17.594 42.397 ( -4.074 0.000 13.710) 14.302 42.668 ( -6.555 0.000 -12.205) 13.854 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -1.454 0.000 4.532) 4.760 3.068 ( -4.915 0.000 -4.819) 6.883 3.317 ( -0.991 0.000 3.032) 3.190 3.397 ( -4.734 0.000 -5.208) 7.038 3.538 ( 3.933 0.000 5.582) 6.828 3.626 ( 1.152 0.000 -2.344) 2.612 3.737 ( 4.282 0.000 6.143) 7.488 3.845 ( 3.491 0.000 -3.471) 4.923 4.057 ( 7.134 0.000 1.425) 7.275 4.158 ( 3.200 0.000 -7.908) 8.531 4.807 ( 7.010 0.000 9.623) 11.905 5.000 ( 13.061 0.000 -6.877) 14.760 5.231 ( -2.698 0.000 1.865) 3.280 5.306 ( -4.777 0.000 -5.016) 6.926 5.651 ( -12.924 0.000 26.213) 29.226 6.080 ( -4.207 0.000 13.836) 14.461 6.219 ( -18.608 0.000 -26.233) 32.163 6.429 ( -13.982 0.000 -19.219) 23.767 7.117 ( 9.487 0.000 15.260) 17.968 7.446 ( 0.874 0.000 -15.505) 15.529 8.292 ( 12.617 0.000 11.827) 17.294 8.473 ( 7.061 0.000 -5.546) 8.979 8.513 ( 8.561 0.000 7.825) 11.599 8.627 ( 6.675 0.000 -2.727) 7.210 11.699 ( -13.070 0.000 17.256) 21.647 12.217 ( -26.897 0.000 -31.589) 41.489 15.506 ( 30.745 0.000 22.629) 38.175 15.868 ( 24.835 0.000 -12.076) 27.616 17.045 ( 43.676 0.000 37.197) 57.369 17.399 ( -8.312 0.000 12.021) 14.615 17.601 ( -10.001 0.000 -7.551) 12.531 17.639 ( 26.354 0.000 -18.711) 32.321 18.279 ( -3.008 0.000 16.043) 16.322 18.676 ( -16.773 0.000 -22.396) 27.981 20.354 ( 27.342 0.000 3.892) 27.618 20.577 ( 18.891 0.000 -15.837) 24.651 21.700 ( 23.584 0.000 12.482) 26.684 21.935 ( 24.618 0.000 -9.289) 26.312 22.030 ( -11.634 0.000 30.991) 33.103 22.634 ( -17.962 0.000 -26.372) 31.908 23.963 ( -5.946 0.000 7.444) 9.527 24.006 ( -3.361 0.000 33.692) 33.859 24.160 ( -9.331 0.000 -10.791) 14.266 24.666 ( -14.381 0.000 -28.224) 31.676 26.845 ( -1.583 0.000 8.567) 8.712 26.937 ( -3.606 0.000 1.624) 3.955 27.344 ( -4.449 0.000 1.180) 4.603 27.407 ( -4.905 0.000 -4.181) 6.445 33.794 ( -12.658 0.000 9.676) 15.933 34.100 ( -21.567 0.000 -19.337) 28.967 37.124 ( 22.239 0.000 22.401) 31.566 37.226 ( 32.754 0.000 31.013) 45.106 37.503 ( 11.207 0.000 -13.489) 17.537 37.779 ( 21.367 0.000 -20.901) 29.890 38.038 ( 1.587 0.000 2.356) 2.841 38.092 ( 1.239 0.000 -2.688) 2.960 41.074 ( -14.101 0.000 8.428) 16.427 41.301 ( -16.140 0.000 -12.485) 20.405 42.321 ( -2.739 0.000 8.810) 9.226 42.519 ( -7.558 0.000 -9.871) 12.433 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -0.450 0.000 -0.056) 0.453 2.975 ( -3.374 0.000 -3.016) 4.525 3.284 ( -0.926 0.000 -0.947) 1.325 3.307 ( -3.211 0.000 -3.147) 4.496 3.596 ( 1.986 0.000 4.571) 4.984 3.626 ( -0.850 0.000 1.874) 2.058 3.842 ( 4.502 0.000 4.642) 6.466 3.889 ( 0.193 0.000 0.235) 0.304 4.166 ( 3.032 0.000 -2.942) 4.224 4.192 ( 0.215 0.000 -5.396) 5.401 5.029 ( 13.904 0.000 16.875) 21.866 5.196 ( -0.402 0.000 -0.626) 0.744 5.222 ( -2.943 0.000 -3.023) 4.218 5.294 ( -0.611 0.000 10.922) 10.939 5.425 ( 5.878 0.000 -3.433) 6.807 5.813 ( -20.742 0.000 -21.015) 29.527 6.062 ( 2.591 0.000 2.435) 3.555 6.185 ( -9.257 0.000 -9.254) 13.089 7.293 ( 7.407 0.000 5.737) 9.369 7.412 ( -3.965 0.000 -5.437) 6.729 8.493 ( 6.582 0.000 6.209) 9.048 8.555 ( 0.589 0.000 0.279) 0.652 8.660 ( 5.224 0.000 6.165) 8.081 8.708 ( 0.835 0.000 1.881) 2.058 11.580 ( 1.803 0.000 -0.736) 1.947 11.769 ( -16.111 0.000 -18.298) 24.380 16.031 ( 18.783 0.000 15.175) 24.147 16.195 ( 4.581 0.000 0.080) 4.582 17.288 ( -0.602 0.000 4.642) 4.681 17.394 ( -9.291 0.000 -4.995) 10.548 17.743 ( 22.662 0.000 18.026) 28.957 17.938 ( 3.015 0.000 -3.811) 4.859 18.289 ( 2.591 0.000 7.660) 8.086 18.392 ( -9.603 0.000 -6.237) 11.451 20.783 ( 13.857 0.000 1.080) 13.899 20.884 ( 6.446 0.000 -8.421) 10.604 21.934 ( 5.710 0.000 13.628) 14.776 22.135 ( 16.534 0.000 12.453) 20.699 22.237 ( -19.677 0.000 -14.265) 24.304 22.273 ( 5.258 0.000 0.569) 5.288 23.898 ( 0.388 0.000 0.128) 0.409 23.982 ( -7.194 0.000 -7.320) 10.263 24.040 ( 8.320 0.000 11.235) 13.980 24.328 ( -17.321 0.000 -14.786) 22.774 26.834 ( 0.619 0.000 8.259) 8.282 26.870 ( -2.690 0.000 5.898) 6.482 27.292 ( -0.489 0.000 -1.991) 2.051 27.321 ( -3.115 0.000 -4.143) 5.184 33.648 ( -1.077 0.000 -0.345) 1.131 33.756 ( -11.382 0.000 -10.480) 15.471 37.482 ( 12.024 0.000 11.161) 16.406 37.611 ( -0.585 0.000 -1.235) 1.367 37.809 ( 21.726 0.000 18.774) 28.714 38.032 ( 1.211 0.000 -1.707) 2.093 38.079 ( 2.190 0.000 1.887) 2.891 38.109 ( -0.204 0.000 -0.573) 0.608 40.892 ( -2.057 0.000 -0.460) 2.108 41.001 ( -11.576 0.000 -10.063) 15.339 42.304 ( 1.328 0.000 1.798) 2.236 42.378 ( -5.682 0.000 -5.159) 7.675 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.000 8.642 17.206) 19.254 2.935 ( 0.000 -3.022 6.007) 6.725 3.111 ( 0.000 3.088 1.756) 3.553 3.326 ( 0.000 -5.970 -8.431) 10.331 3.480 ( 0.000 -1.597 0.733) 1.757 3.555 ( 0.000 2.540 -1.781) 3.102 3.752 ( 0.000 -0.385 -3.097) 3.121 3.782 ( 0.000 -2.763 -6.873) 7.408 3.878 ( 0.000 -5.751 2.292) 6.190 3.967 ( 0.000 -8.366 -7.171) 11.019 4.683 ( 0.000 -7.006 2.518) 7.445 4.743 ( 0.000 -8.799 -2.028) 9.030 5.506 ( 0.000 15.101 8.531) 17.344 5.639 ( 0.000 13.664 -6.306) 15.049 6.203 ( 0.000 6.754 36.528) 37.147 6.510 ( 0.000 -0.063 26.975) 26.975 6.569 ( 0.000 2.416 17.478) 17.644 7.045 ( 0.000 -3.138 -26.615) 26.800 7.113 ( 0.000 1.469 -21.728) 21.778 7.161 ( 0.000 4.643 -34.263) 34.576 7.548 ( 0.000 -5.813 19.014) 19.883 7.934 ( 0.000 -5.971 -15.935) 17.017 8.028 ( 0.000 -8.800 7.137) 11.330 8.164 ( 0.000 -6.935 -6.397) 9.435 13.346 ( 0.000 18.521 36.961) 41.342 13.981 ( 0.000 2.739 10.514) 10.865 14.041 ( 0.000 2.052 25.846) 25.927 14.341 ( 0.000 3.372 -15.678) 16.036 14.688 ( 0.000 14.876 -1.550) 14.956 15.402 ( 0.000 -0.625 -48.439) 48.443 17.267 ( 0.000 -38.682 11.560) 40.372 17.465 ( 0.000 -43.305 -7.509) 43.951 18.942 ( 0.000 19.830 29.824) 35.815 19.081 ( 0.000 1.285 19.558) 19.600 19.806 ( 0.000 20.451 -23.955) 31.498 19.828 ( 0.000 7.747 -23.021) 24.289 20.866 ( 0.000 8.521 6.091) 10.474 21.014 ( 0.000 18.137 -8.028) 19.834 22.537 ( 0.000 -6.089 33.895) 34.437 23.207 ( 0.000 -4.695 -29.998) 30.364 24.225 ( 0.000 1.067 41.282) 41.296 24.257 ( 0.000 -0.996 10.524) 10.571 24.493 ( 0.000 0.333 -10.259) 10.264 25.043 ( 0.000 -2.045 -34.438) 34.499 26.968 ( 0.000 1.280 6.688) 6.809 27.103 ( 0.000 0.617 -5.512) 5.546 27.529 ( 0.000 -4.947 3.962) 6.338 27.607 ( 0.000 -6.088 -3.249) 6.901 35.048 ( 0.000 11.732 25.906) 28.439 35.634 ( 0.000 4.872 -5.547) 7.383 35.706 ( 0.000 4.524 5.178) 6.876 35.808 ( 0.000 -0.842 38.452) 38.462 36.330 ( 0.000 1.340 -29.145) 29.176 36.563 ( 0.000 -1.271 -32.979) 33.003 37.773 ( 0.000 -22.888 4.182) 23.267 37.864 ( 0.000 -20.388 -4.561) 20.892 41.902 ( 0.000 9.910 6.590) 11.901 42.039 ( 0.000 9.449 -6.202) 11.303 42.520 ( 0.000 2.229 15.793) 15.950 42.819 ( 0.000 0.389 -12.807) 12.813 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 8.554 5.931 15.261) 18.473 2.994 ( 5.080 -4.247 6.389) 9.201 3.162 ( 4.310 2.382 0.599) 4.961 3.329 ( 0.378 -5.920 -6.175) 8.563 3.489 ( 0.714 -1.695 -0.052) 1.840 3.555 ( 0.251 2.510 -1.568) 2.970 3.749 ( -2.138 -2.344 -4.160) 5.232 3.763 ( 0.273 -0.112 -4.687) 4.696 3.864 ( -1.010 -5.287 2.100) 5.777 3.968 ( 0.542 -8.073 -8.539) 11.764 4.668 ( -1.311 -6.705 2.749) 7.364 4.730 ( -1.141 -8.735 -2.176) 9.074 5.509 ( 0.095 16.030 6.965) 17.478 5.633 ( -0.730 15.095 -5.889) 16.220 6.117 ( -6.891 5.891 35.331) 36.476 6.396 ( -9.317 -1.541 26.333) 27.976 6.676 ( 6.926 3.836 10.672) 13.289 6.929 ( -9.001 -0.494 -25.239) 26.801 6.984 ( -9.017 0.255 -22.888) 24.601 7.277 ( 7.049 3.382 -26.819) 27.936 7.666 ( 10.843 -5.544 19.477) 22.970 8.024 ( 7.940 -6.018 -12.906) 16.304 8.092 ( 5.888 -8.478 5.830) 11.855 8.227 ( 5.673 -7.563 -6.309) 11.366 12.845 ( -30.878 16.045 37.245) 50.971 13.668 ( -32.045 11.090 -40.085) 52.505 14.290 ( 20.651 3.354 26.132) 33.476 14.685 ( 28.554 -0.302 -1.082) 28.576 15.065 ( 38.728 9.414 31.575) 50.848 15.992 ( 43.597 -0.012 -45.435) 62.969 17.285 ( 1.888 -33.547 9.792) 34.998 17.455 ( -0.887 -39.890 -6.498) 40.426 18.867 ( -7.254 21.480 31.719) 38.989 19.230 ( 13.074 1.061 11.838) 17.669 19.703 ( -8.215 21.507 -18.902) 29.788 19.926 ( 8.844 4.677 -25.007) 26.934 20.960 ( 9.104 5.924 6.904) 12.870 21.117 ( 10.311 13.539 -8.053) 18.828 22.456 ( -7.596 -6.106 34.146) 35.510 23.132 ( -7.151 -4.679 -30.265) 31.448 24.179 ( -4.023 -0.382 31.413) 31.672 24.236 ( -2.402 0.963 20.271) 20.436 24.453 ( -3.845 0.386 -10.487) 11.176 25.007 ( -3.629 -1.985 -34.015) 34.265 26.950 ( -1.663 1.430 6.912) 7.252 27.079 ( -2.224 0.679 -4.555) 5.114 27.501 ( -2.792 -4.711 3.286) 6.386 27.561 ( -4.113 -5.761 -2.590) 7.538 34.718 ( -22.561 11.406 23.702) 34.654 35.281 ( -26.745 9.149 -29.888) 41.137 35.992 ( 18.464 -2.371 37.141) 41.545 36.059 ( 26.099 2.177 32.528) 41.761 36.678 ( 22.632 -0.181 -29.054) 36.829 36.753 ( 18.549 -1.552 -32.183) 37.178 37.775 ( 0.295 -22.785 4.066) 23.147 37.865 ( 0.229 -19.929 -4.596) 20.454 41.801 ( -9.384 11.016 7.736) 16.409 41.962 ( -7.301 10.307 -7.380) 14.629 42.487 ( -3.075 1.801 15.245) 15.656 42.779 ( -3.851 0.201 -12.645) 13.220 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 5.077 3.781 9.532) 11.443 3.102 ( 3.648 -3.929 1.204) 5.494 3.232 ( 2.612 -1.955 5.614) 6.493 3.373 ( 4.048 -4.605 -4.019) 7.331 3.495 ( -0.334 -0.763 0.160) 0.848 3.574 ( 1.540 0.172 -3.762) 4.069 3.694 ( -1.727 -2.401 1.373) 3.261 3.783 ( 1.008 -0.858 -5.149) 5.317 3.870 ( 2.784 -4.377 2.695) 5.846 4.009 ( 3.666 -7.047 -10.487) 13.156 4.640 ( -1.266 -7.325 3.037) 8.029 4.709 ( -0.469 -9.840 -2.769) 10.233 5.494 ( -1.914 15.889 4.819) 16.713 5.604 ( -2.132 17.984 -5.135) 18.823 5.955 ( -8.644 7.456 30.782) 32.830 6.196 ( -8.551 -2.460 22.771) 24.448 6.593 ( -14.272 2.748 -27.163) 30.807 6.709 ( -13.121 -1.865 -25.655) 28.876 6.979 ( 9.333 5.703 17.841) 20.927 7.419 ( 6.036 4.188 -21.810) 23.014 7.944 ( 14.933 -5.654 16.683) 23.093 8.213 ( 9.417 -8.472 -1.349) 12.739 8.252 ( 9.146 -6.780 -1.597) 11.496 8.370 ( 7.630 -9.448 -5.319) 13.258 12.283 ( -22.933 19.550 29.358) 42.072 12.992 ( -31.605 15.241 -37.988) 51.713 14.835 ( 30.137 -0.995 25.518) 39.502 15.258 ( 27.246 -2.832 -14.427) 30.960 16.052 ( 51.365 2.410 44.289) 67.865 16.898 ( 40.482 -1.384 -34.123) 52.963 17.361 ( 6.625 -16.434 3.689) 18.099 17.437 ( -0.447 -29.410 -3.170) 29.584 18.653 ( -12.784 20.604 30.301) 38.808 19.303 ( -14.374 21.350 -31.340) 40.554 19.762 ( 21.855 0.246 16.314) 27.274 20.187 ( 15.784 -0.352 -22.520) 27.503 21.236 ( 17.456 0.370 9.524) 19.889 21.437 ( 20.171 4.344 -9.390) 22.669 22.243 ( -12.454 -5.851 34.195) 36.859 22.921 ( -13.150 -4.536 -30.284) 33.326 24.075 ( -5.590 -0.518 23.554) 24.214 24.156 ( -5.243 2.687 25.896) 26.558 24.338 ( -7.193 0.687 -10.713) 12.923 24.887 ( -8.300 -1.718 -32.195) 33.292 26.906 ( -2.400 1.727 7.483) 8.046 27.019 ( -3.416 0.824 -2.021) 4.053 27.414 ( -5.426 -4.205 2.545) 7.321 27.463 ( -4.938 -5.055 -2.601) 7.530 34.273 ( -19.596 13.553 17.627) 29.637 34.723 ( -26.249 11.689 -25.170) 38.199 36.488 ( 28.412 -6.349 34.458) 45.110 36.629 ( 27.993 2.127 29.922) 41.030 37.118 ( 20.266 -7.987 -24.786) 32.997 37.230 ( 24.183 -0.841 -27.112) 36.340 37.787 ( 1.025 -22.022 3.913) 22.390 37.881 ( 1.562 -17.355 -5.149) 18.170 41.548 ( -14.231 13.950 9.306) 21.993 41.753 ( -12.556 12.633 -9.914) 20.384 42.404 ( -4.567 0.779 13.128) 13.922 42.667 ( -6.788 -0.250 -11.891) 13.694 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -1.265 3.416 3.490) 5.045 3.078 ( -3.913 0.933 -3.314) 5.212 3.300 ( 1.214 -1.917 4.709) 5.227 3.392 ( -3.051 -0.645 -4.749) 5.682 3.530 ( 4.280 -1.167 4.805) 6.539 3.614 ( 2.420 -1.301 -2.737) 3.879 3.699 ( 1.823 -3.047 6.814) 7.683 3.823 ( 2.769 -2.792 -4.519) 5.990 3.984 ( 7.783 -6.773 2.312) 10.573 4.106 ( 5.050 -5.576 -9.013) 11.740 4.617 ( -0.748 -12.714 4.958) 13.667 4.725 ( 1.541 -16.077 -4.561) 16.782 5.443 ( -2.195 9.802 4.882) 11.169 5.552 ( -2.642 18.094 -5.411) 19.070 5.781 ( -7.300 12.634 21.061) 25.622 6.087 ( -1.917 2.579 14.293) 14.650 6.256 ( -17.149 2.741 -22.823) 28.679 6.446 ( -11.836 3.308 -19.553) 23.094 7.185 ( 9.704 6.836 14.750) 18.933 7.499 ( 1.438 5.423 -14.632) 15.670 8.235 ( 12.511 -5.932 11.813) 18.200 8.393 ( 7.940 -10.748 4.552) 14.117 8.425 ( 6.773 -6.417 -2.584) 9.681 8.512 ( 5.576 -11.909 -2.584) 13.401 11.926 ( -11.454 23.543 16.042) 30.706 12.408 ( -24.719 19.965 -29.511) 43.365 15.433 ( 26.046 -9.495 20.308) 34.365 15.740 ( 17.962 -15.283 -9.197) 25.314 17.023 ( 39.310 -1.875 33.207) 51.493 17.398 ( 9.509 3.251 -4.444) 10.988 17.470 ( 5.672 -9.919 4.992) 12.469 17.710 ( 23.412 4.934 -13.677) 27.559 18.396 ( -10.350 12.128 21.828) 27.031 18.908 ( -21.107 21.508 -26.594) 40.192 20.300 ( 26.075 -5.956 4.617) 27.142 20.531 ( 16.758 -4.712 -15.578) 23.360 21.646 ( 21.164 -4.859 12.438) 25.024 21.882 ( 20.079 -4.272 -9.334) 22.551 21.991 ( -9.757 -4.491 30.895) 32.708 22.603 ( -17.521 -4.009 -27.064) 32.489 23.981 ( -2.591 1.704 12.289) 12.674 24.038 ( -5.302 2.988 26.393) 27.086 24.170 ( -8.687 1.475 -9.483) 12.945 24.660 ( -13.784 -0.916 -27.182) 30.491 26.863 ( -1.591 1.852 8.079) 8.440 26.946 ( -3.484 1.029 1.807) 4.057 27.306 ( -4.326 -3.801 1.129) 5.869 27.364 ( -4.647 -4.383 -3.721) 7.393 33.944 ( -11.763 15.870 9.344) 21.853 34.238 ( -20.352 14.524 -18.447) 31.072 37.056 ( 23.633 -11.252 23.547) 35.208 37.194 ( 27.144 -1.530 25.957) 37.589 37.434 ( 9.581 -13.223 -11.588) 20.023 37.678 ( 17.336 -8.685 -17.332) 26.007 37.826 ( 3.016 -18.529 4.472) 19.299 37.944 ( 4.635 -8.852 -6.671) 12.014 41.266 ( -11.904 17.871 7.390) 22.709 41.471 ( -14.165 15.984 -11.457) 24.236 42.319 ( -3.165 -0.338 8.566) 9.138 42.513 ( -7.775 -0.771 -9.743) 12.489 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -0.471 3.887 -0.140) 3.918 3.004 ( -2.596 3.014 -2.232) 4.562 3.293 ( -0.365 0.793 -0.373) 0.950 3.318 ( -2.923 1.063 -2.791) 4.179 3.599 ( 2.290 0.022 5.215) 5.695 3.631 ( -0.770 0.532 2.899) 3.047 3.784 ( 5.008 -5.449 3.428) 8.156 3.848 ( -0.885 -3.704 -1.966) 4.286 4.141 ( 5.785 -3.345 -0.918) 6.745 4.184 ( 1.598 -1.192 -4.958) 5.343 4.634 ( 3.036 -24.006 6.862) 25.151 4.717 ( -3.182 -25.855 0.233) 26.051 5.438 ( 1.900 4.508 2.350) 5.428 5.496 ( -3.080 9.949 -2.654) 10.748 5.724 ( 3.586 18.011 3.174) 18.636 5.923 ( -14.187 8.166 -13.843) 21.438 6.110 ( 3.720 8.617 3.088) 9.880 6.236 ( -8.369 8.332 -8.900) 14.788 7.362 ( 7.291 7.015 5.723) 11.624 7.476 ( -3.573 6.485 -4.955) 8.909 8.434 ( 6.561 -5.959 6.101) 10.760 8.496 ( 0.673 -6.011 0.215) 6.052 8.534 ( 4.530 -12.993 5.699) 14.893 8.578 ( 0.551 -13.443 1.753) 13.568 11.826 ( 1.882 25.365 -0.587) 25.442 11.999 ( -14.642 23.868 -16.793) 32.651 15.845 ( 13.150 -20.626 10.984) 26.814 15.955 ( 2.586 -24.651 0.242) 24.788 17.433 ( 7.057 6.996 8.505) 13.080 17.517 ( 0.420 21.805 3.529) 22.092 17.818 ( 20.502 5.593 17.753) 27.691 17.990 ( 3.531 4.634 -2.913) 6.513 18.312 ( 2.265 2.959 7.513) 8.386 18.503 ( -16.630 12.532 -14.278) 25.249 20.709 ( 12.849 -8.224 0.190) 15.256 20.800 ( 5.682 -9.109 -8.252) 13.541 21.908 ( 6.065 -2.672 13.404) 14.953 22.032 ( 12.504 -8.347 9.922) 18.013 22.173 ( 3.808 -9.081 0.072) 9.847 22.229 ( -15.924 -2.825 -13.729) 21.215 23.949 ( -0.537 4.475 4.262) 6.203 24.008 ( -5.849 2.702 -4.089) 7.631 24.056 ( 8.604 1.686 6.575) 10.959 24.338 ( -16.502 0.699 -15.544) 22.681 26.850 ( 0.483 1.664 7.933) 8.120 26.882 ( -2.536 1.322 5.851) 6.512 27.255 ( -0.522 -3.696 -1.818) 4.152 27.282 ( -2.957 -3.923 -3.773) 6.195 33.811 ( -0.893 17.087 -0.245) 17.113 33.913 ( -10.736 16.585 -9.923) 22.109 37.400 ( 10.107 -15.352 8.981) 20.457 37.501 ( -0.223 -18.953 -1.183) 18.991 37.701 ( 17.273 -10.443 14.830) 25.047 37.866 ( 0.762 -14.797 -1.481) 14.890 37.921 ( 6.168 -8.151 6.215) 11.963 38.016 ( -0.282 -1.913 -0.601) 2.025 41.117 ( -1.502 20.657 -0.444) 20.716 41.211 ( -9.864 19.501 -8.839) 23.574 42.295 ( 1.151 -1.064 1.695) 2.309 42.369 ( -5.768 -1.146 -5.184) 7.840 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 0.000 -2.710 16.483) 16.704 2.924 ( 0.000 11.517 12.071) 16.684 3.220 ( 0.000 6.529 -9.519) 11.543 3.222 ( 0.000 -4.686 -6.643) 8.129 3.362 ( 0.000 -8.381 5.494) 10.021 3.572 ( 0.000 -2.312 6.729) 7.115 3.675 ( 0.000 -6.353 -18.071) 19.155 3.734 ( 0.000 -2.223 -7.937) 8.242 3.831 ( 0.000 1.260 -0.624) 1.406 3.855 ( 0.000 -2.486 -2.792) 3.739 4.532 ( 0.000 -8.496 0.676) 8.523 4.567 ( 0.000 -9.516 -2.603) 9.865 5.790 ( 0.000 13.414 9.876) 16.657 5.886 ( 0.000 10.427 -1.925) 10.604 6.373 ( 0.000 10.304 29.474) 31.223 6.548 ( 0.000 5.688 27.642) 28.221 6.642 ( 0.000 4.703 15.564) 16.258 6.994 ( 0.000 -1.229 -20.110) 20.148 7.153 ( 0.000 2.686 -20.520) 20.695 7.274 ( 0.000 6.110 -29.172) 29.805 7.397 ( 0.000 -8.782 15.445) 17.767 7.780 ( 0.000 -9.979 -13.225) 16.567 7.813 ( 0.000 -12.903 6.049) 14.251 7.980 ( 0.000 -12.163 -11.710) 16.883 13.815 ( 0.000 27.349 34.107) 43.718 14.015 ( 0.000 1.299 36.540) 36.564 14.114 ( 0.000 8.767 21.717) 23.420 14.574 ( 0.000 20.277 -36.207) 41.499 14.963 ( 0.000 13.764 -9.309) 16.617 15.377 ( 0.000 -2.294 -41.144) 41.208 16.496 ( 0.000 -41.524 2.471) 41.598 16.547 ( 0.000 -51.828 -2.219) 51.876 19.117 ( 0.000 2.590 20.098) 20.264 19.183 ( 0.000 6.071 18.765) 19.723 20.013 ( 0.000 9.776 -14.355) 17.368 20.090 ( 0.000 9.020 -16.920) 19.174 21.128 ( 0.000 19.405 17.442) 26.092 21.500 ( 0.000 31.019 -16.769) 35.261 22.361 ( 0.000 -12.519 33.029) 35.322 23.045 ( 0.000 -13.228 -31.018) 33.721 24.236 ( 0.000 -0.027 31.129) 31.129 24.238 ( 0.000 -0.826 11.292) 11.322 24.541 ( 0.000 5.327 -7.438) 9.149 24.978 ( 0.000 -5.035 -28.804) 29.241 27.010 ( 0.000 3.327 5.456) 6.391 27.125 ( 0.000 1.889 -4.932) 5.281 27.404 ( 0.000 -7.942 3.376) 8.630 27.461 ( 0.000 -8.698 -1.857) 8.894 35.368 ( 0.000 21.873 22.474) 31.361 35.682 ( 0.000 1.450 30.750) 30.784 35.789 ( 0.000 -0.906 37.164) 37.175 35.917 ( 0.000 16.391 -26.227) 30.928 36.365 ( 0.000 2.297 -29.426) 29.516 36.529 ( 0.000 -2.214 -32.212) 32.288 37.217 ( 0.000 -34.172 6.917) 34.865 37.381 ( 0.000 -28.973 -8.870) 30.300 42.106 ( 0.000 10.342 7.079) 12.533 42.219 ( 0.000 7.954 -2.259) 8.268 42.589 ( 0.000 5.265 9.903) 11.215 42.822 ( 0.000 -0.402 -10.992) 10.999 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 2.874 -2.033 15.882) 16.267 2.996 ( 4.469 6.059 8.042) 11.017 3.219 ( 1.905 -2.087 -6.251) 6.860 3.246 ( 0.196 2.190 -3.701) 4.305 3.376 ( 1.412 -7.666 3.301) 8.465 3.575 ( -0.115 -1.458 4.962) 5.173 3.661 ( -1.254 -5.480 -13.633) 14.747 3.732 ( -0.346 -3.694 -8.788) 9.540 3.836 ( 0.037 0.803 -1.364) 1.583 3.857 ( 1.210 -1.000 -3.874) 4.180 4.529 ( -0.289 -7.479 0.665) 7.514 4.563 ( -0.522 -8.664 -2.448) 9.018 5.818 ( 1.250 14.817 7.560) 16.681 5.922 ( 3.143 13.425 -0.714) 13.806 6.270 ( -6.657 9.230 28.114) 30.330 6.387 ( -12.409 2.025 25.433) 28.371 6.788 ( 8.242 7.853 9.846) 15.052 6.886 ( -9.660 -2.443 -24.607) 26.547 7.026 ( -8.558 3.052 -16.729) 19.037 7.354 ( 6.978 3.187 -20.413) 21.807 7.525 ( 10.885 -7.999 16.280) 21.154 7.857 ( 5.748 -11.259 2.196) 12.830 7.907 ( 8.750 -9.621 -9.053) 15.845 8.029 ( 4.204 -12.811 -10.337) 16.990 13.258 ( -27.110 26.346 33.260) 50.351 13.942 ( -24.366 15.427 -26.354) 39.067 14.365 ( 12.789 5.347 21.676) 25.729 14.735 ( 25.360 5.984 1.479) 26.098 15.233 ( 29.848 6.912 18.419) 35.748 15.988 ( 43.373 -0.498 -41.244) 59.854 16.607 ( 8.380 -42.930 1.602) 43.770 16.659 ( 13.909 -34.647 -3.368) 37.486 19.171 ( -2.053 9.872 24.514) 26.506 19.243 ( 11.617 0.749 17.054) 20.648 20.031 ( -1.195 10.784 -16.753) 19.960 20.058 ( -0.062 8.815 -18.624) 20.605 21.152 ( 2.937 15.057 16.486) 22.520 21.503 ( 1.188 26.258 -15.871) 30.705 22.279 ( -7.655 -12.701 33.259) 36.416 22.968 ( -7.329 -13.498 -31.298) 34.864 24.177 ( -3.957 0.369 21.692) 22.053 24.242 ( -1.287 -0.504 20.922) 20.967 24.503 ( -3.647 5.437 -7.742) 10.139 24.942 ( -3.582 -5.084 -28.536) 29.206 26.996 ( -1.362 3.516 5.559) 6.717 27.102 ( -2.109 1.962 -3.903) 4.851 27.381 ( -2.186 -7.578 2.687) 8.332 27.423 ( -3.523 -8.302 -1.269) 9.107 35.023 ( -20.462 20.401 21.901) 36.257 35.530 ( -23.986 17.027 -26.301) 39.458 35.925 ( 13.943 -5.088 35.182) 38.184 36.123 ( 26.229 5.004 31.285) 41.130 36.599 ( 9.331 -9.071 -28.360) 31.203 36.767 ( 23.582 3.094 -29.420) 37.831 37.234 ( 1.897 -32.324 7.559) 33.250 37.422 ( 4.351 -24.360 -10.626) 26.930 42.029 ( -7.137 11.668 7.732) 15.712 42.163 ( -5.363 9.092 -3.735) 11.197 42.543 ( -4.273 4.430 10.077) 11.808 42.776 ( -4.326 -0.748 -11.016) 11.859 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 7.854 -4.880 11.569) 14.810 3.067 ( 2.192 2.233 3.732) 4.870 3.223 ( -1.337 0.600 3.915) 4.180 3.304 ( 5.287 -2.072 -5.986) 8.251 3.417 ( 2.467 -5.904 1.694) 6.619 3.551 ( -1.696 -3.099 -1.395) 3.798 3.644 ( 0.107 -2.248 -3.109) 3.838 3.720 ( -0.726 -3.635 -6.488) 7.472 3.856 ( 2.125 -1.128 -3.438) 4.196 3.892 ( 1.728 -2.052 -5.998) 6.571 4.514 ( -1.613 -5.602 0.385) 5.842 4.543 ( -1.393 -7.603 -2.188) 8.033 5.756 ( -7.586 10.890 11.672) 17.674 5.968 ( -1.354 19.099 -7.481) 20.557 6.114 ( -12.613 -1.381 22.080) 25.466 6.213 ( 2.691 14.671 23.401) 27.751 6.608 ( -16.582 -2.449 -23.565) 28.918 6.732 ( -7.820 5.623 -24.778) 26.584 7.109 ( 11.865 7.623 18.317) 23.117 7.512 ( 7.391 4.358 -17.661) 19.635 7.790 ( 13.831 -10.394 16.780) 24.102 7.990 ( 6.823 -12.679 5.952) 15.580 8.111 ( 9.847 -8.479 -9.317) 15.990 8.126 ( 4.850 -15.180 -7.845) 17.763 12.800 ( -17.409 34.256 25.134) 45.916 13.397 ( -25.323 26.779 -31.472) 48.465 14.731 ( 19.291 -12.217 22.847) 32.301 15.099 ( 11.963 -15.472 -11.923) 22.906 16.102 ( 47.933 2.829 39.637) 62.263 16.836 ( 24.797 -21.230 -6.756) 33.335 16.888 ( 30.306 -7.876 -14.167) 34.369 17.130 ( 31.364 -8.161 -16.859) 36.531 19.038 ( -11.402 18.611 31.961) 38.702 19.543 ( 12.467 1.104 -3.693) 13.049 19.890 ( -6.281 13.911 -6.236) 16.488 20.186 ( 9.744 0.298 -20.935) 23.094 21.282 ( 10.230 5.504 15.075) 19.032 21.597 ( 8.647 13.365 -13.913) 21.141 22.072 ( -11.470 -12.136 32.885) 36.881 22.756 ( -12.885 -13.580 -31.134) 36.328 24.086 ( -4.483 1.570 20.446) 20.991 24.185 ( -4.119 0.202 20.782) 21.187 24.394 ( -6.781 5.690 -8.166) 12.043 24.826 ( -7.851 -4.923 -27.228) 28.761 26.958 ( -2.143 3.842 5.875) 7.340 27.045 ( -3.272 2.064 -1.347) 4.097 27.310 ( -4.702 -6.370 2.011) 8.169 27.338 ( -4.111 -7.703 -1.258) 8.822 34.641 ( -16.173 25.103 16.143) 33.946 35.044 ( -22.387 22.098 -22.197) 38.499 36.280 ( 18.615 -17.222 28.178) 37.909 36.672 ( 23.782 -0.254 24.326) 34.021 36.786 ( 10.192 -23.752 -13.566) 29.190 37.249 ( 20.899 0.021 -21.495) 29.980 37.319 ( 7.990 -21.994 7.489) 24.569 37.582 ( 11.309 -11.919 -14.954) 22.216 41.839 ( -10.581 15.060 8.344) 20.208 42.010 ( -9.162 12.470 -7.160) 17.050 42.428 ( -6.467 1.972 9.929) 12.012 42.652 ( -7.521 -1.650 -10.765) 13.235 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -0.010 2.242 2.430) 3.306 3.103 ( 0.410 2.769 0.263) 2.812 3.247 ( 4.089 -3.033 8.652) 10.038 3.372 ( 0.019 -1.348 -4.059) 4.277 3.485 ( 4.143 -3.327 3.072) 6.137 3.568 ( 4.074 -4.437 -3.732) 7.086 3.667 ( 0.293 -0.333 4.601) 4.622 3.730 ( 4.279 -4.344 -2.357) 6.537 3.884 ( 0.393 -3.225 -1.719) 3.675 3.959 ( 5.703 -8.998 -9.664) 14.383 4.443 ( -5.568 -5.879 1.767) 8.288 4.496 ( -4.009 -8.322 -3.070) 9.734 5.582 ( -7.161 6.419 11.710) 15.153 5.837 ( -8.698 9.868 -7.250) 15.020 5.906 ( -8.068 1.326 9.156) 12.275 6.255 ( -16.443 -2.232 -19.262) 25.424 6.339 ( 7.487 22.620 13.343) 27.309 6.626 ( -2.918 15.605 -14.472) 21.482 7.348 ( 10.615 9.460 13.858) 19.855 7.626 ( 3.154 6.682 -11.973) 14.069 8.049 ( 10.159 -15.940 11.642) 22.200 8.132 ( 7.272 -12.533 6.656) 15.945 8.207 ( 2.933 -19.114 -2.451) 19.493 8.283 ( 6.187 -8.791 -6.059) 12.339 12.543 ( -7.637 40.773 13.342) 43.575 12.938 ( -19.053 35.319 -24.086) 46.803 15.072 ( 13.046 -29.857 13.237) 35.169 15.271 ( 5.156 -33.477 -6.367) 34.465 17.012 ( 37.130 1.747 30.532) 48.103 17.310 ( 28.114 -6.643 23.462) 37.216 17.553 ( 29.540 10.810 -21.902) 38.330 17.782 ( 26.247 2.428 -14.846) 30.252 18.728 ( -17.198 23.050 30.322) 41.791 19.373 ( -21.201 25.796 -30.594) 45.287 20.118 ( 19.618 -13.659 8.624) 25.413 20.405 ( 10.112 -8.650 -16.207) 20.969 21.563 ( 16.111 -2.814 13.573) 21.254 21.831 ( 12.263 -0.145 -10.151) 15.921 21.862 ( -7.203 -8.339 28.024) 30.113 22.457 ( -15.889 -11.742 -27.068) 33.511 24.021 ( -0.899 2.451 15.451) 15.670 24.089 ( -4.615 1.712 16.737) 17.446 24.236 ( -8.183 5.747 -6.975) 12.192 24.617 ( -12.371 -3.854 -23.364) 26.717 26.916 ( -1.709 3.846 6.360) 7.626 26.976 ( -3.229 2.214 2.044) 4.416 27.215 ( -3.917 -5.503 1.120) 6.847 27.255 ( -3.926 -6.724 -2.272) 8.111 34.376 ( -9.214 29.567 8.554) 32.129 34.635 ( -16.948 27.371 -16.019) 35.958 36.602 ( 11.375 -35.860 14.352) 40.266 36.829 ( 1.140 -40.591 -7.924) 41.372 37.237 ( 23.663 1.803 22.760) 32.882 37.528 ( 14.307 -10.749 15.114) 23.424 37.638 ( 13.628 1.575 -14.563) 20.007 37.837 ( 11.374 -4.244 -12.745) 17.601 41.635 ( -8.192 19.217 6.130) 21.771 41.805 ( -10.243 17.348 -9.504) 22.276 42.304 ( -4.883 -1.357 7.432) 8.995 42.482 ( -8.514 -2.810 -9.287) 12.909 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 0.131 5.360 0.521) 5.387 3.088 ( -0.773 6.436 -0.379) 6.493 3.304 ( 1.459 0.018 1.506) 2.097 3.338 ( -2.146 0.854 -1.902) 2.992 3.569 ( 3.546 -3.862 6.296) 8.193 3.632 ( -2.551 -1.109 7.291) 7.804 3.683 ( 6.039 -4.573 -3.101) 8.185 3.782 ( -2.748 -2.846 -5.674) 6.917 4.009 ( 12.543 -9.642 3.914) 16.298 4.120 ( 9.012 -7.136 -6.290) 13.103 4.282 ( -9.609 -11.320 3.599) 15.279 4.352 ( -9.687 -11.163 -2.647) 15.015 5.523 ( 1.992 5.296 1.648) 5.893 5.647 ( -8.991 6.776 -9.170) 14.520 5.833 ( 1.749 -2.081 2.175) 3.481 5.967 ( -10.841 -2.377 -10.301) 15.143 6.481 ( 5.825 26.750 4.752) 27.787 6.572 ( -3.122 24.549 -4.187) 25.098 7.532 ( 7.136 9.974 5.755) 13.548 7.632 ( -2.450 8.999 -3.668) 10.022 8.186 ( 4.031 -22.017 5.408) 23.027 8.230 ( -0.138 -22.011 1.260) 22.048 8.288 ( 5.779 -9.955 5.602) 12.802 8.350 ( 0.099 -9.517 -0.249) 9.521 12.487 ( 2.099 43.481 -0.170) 43.532 12.625 ( -11.214 41.426 -13.239) 44.913 15.262 ( 5.748 -40.236 4.808) 40.927 15.321 ( -0.167 -41.308 -1.091) 41.323 17.618 ( 24.297 10.911 24.094) 35.915 17.880 ( 19.849 2.795 22.988) 30.500 17.982 ( 1.560 16.956 7.798) 18.729 18.080 ( 5.208 4.435 -2.901) 7.430 18.497 ( 3.980 22.722 3.335) 23.308 18.884 ( -24.805 27.697 -25.558) 45.117 20.444 ( 10.593 -21.163 -1.758) 23.731 20.539 ( 1.484 -18.596 -9.439) 20.907 21.841 ( 7.569 -4.085 12.472) 15.150 21.882 ( 10.929 -6.608 8.642) 15.421 21.999 ( 1.900 -7.677 -1.365) 8.026 22.127 ( -14.979 -7.325 -13.599) 21.516 24.026 ( -0.333 3.282 10.478) 10.985 24.082 ( -3.204 4.842 -2.138) 6.187 24.095 ( 5.535 2.178 -0.001) 5.948 24.336 ( -14.108 -1.300 -14.528) 20.293 26.897 ( 0.035 3.353 6.515) 7.327 26.920 ( -2.086 2.662 5.207) 6.209 27.166 ( -0.645 -5.317 -1.007) 5.450 27.187 ( -2.442 -5.836 -2.410) 6.769 34.276 ( -0.347 31.855 0.067) 31.856 34.365 ( -8.982 31.041 -8.418) 33.393 36.756 ( 4.583 -45.648 3.674) 46.025 36.818 ( -1.833 -46.302 -2.541) 46.407 37.636 ( 14.092 1.261 12.886) 19.137 37.784 ( 0.076 1.128 -1.027) 1.527 37.827 ( 12.551 -3.853 11.805) 17.656 37.967 ( -0.026 -3.214 -0.847) 3.324 41.540 ( -0.427 22.093 -0.242) 22.099 41.617 ( -7.279 21.406 -7.155) 23.714 42.254 ( 0.489 -3.614 1.372) 3.896 42.325 ( -6.113 -3.784 -5.273) 8.916 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 0.000 3.586 14.027) 14.478 2.982 ( 0.000 -6.345 8.259) 10.415 3.223 ( 0.000 3.316 -5.350) 6.295 3.274 ( 0.000 -1.601 -9.638) 9.770 3.319 ( 0.000 6.789 6.033) 9.082 3.476 ( 0.000 -6.457 6.152) 8.919 3.623 ( 0.000 0.356 -15.903) 15.907 3.675 ( 0.000 -3.706 -10.261) 10.910 3.854 ( 0.000 1.698 -0.326) 1.729 3.868 ( 0.000 1.168 -1.805) 2.149 4.399 ( 0.000 -4.246 -0.539) 4.280 4.414 ( 0.000 -5.614 -1.969) 5.949 5.968 ( 0.000 5.263 8.002) 9.578 5.999 ( 0.000 1.856 4.038) 4.444 6.547 ( 0.000 8.107 15.094) 17.133 6.666 ( 0.000 -3.446 9.118) 9.748 6.759 ( 0.000 15.346 31.500) 35.039 7.006 ( 0.000 -4.183 9.864) 10.714 7.181 ( 0.000 -3.608 1.979) 4.115 7.200 ( 0.000 1.181 -17.440) 17.480 7.474 ( 0.000 9.775 -29.054) 30.654 7.591 ( 0.000 -8.335 -9.087) 12.331 7.607 ( 0.000 -6.236 1.490) 6.411 7.733 ( 0.000 -13.228 -17.929) 22.280 14.039 ( 0.000 1.872 34.556) 34.606 14.039 ( 0.000 1.083 36.882) 36.898 14.663 ( 0.000 43.101 12.954) 45.005 15.044 ( 0.000 26.699 -31.287) 41.130 15.196 ( 0.000 11.715 -16.474) 20.214 15.304 ( 0.000 -5.907 -32.167) 32.705 15.581 ( 0.000 -48.618 7.018) 49.122 15.748 ( 0.000 -37.113 -9.045) 38.199 19.174 ( 0.000 3.220 18.166) 18.449 19.220 ( 0.000 -1.038 15.808) 15.842 20.144 ( 0.000 4.112 -12.464) 13.125 20.174 ( 0.000 0.919 -13.555) 13.586 21.554 ( 0.000 24.030 28.464) 37.251 21.926 ( 0.000 -6.242 21.266) 22.163 22.227 ( 0.000 17.319 -13.203) 21.778 22.697 ( 0.000 -23.552 -29.719) 37.919 24.229 ( 0.000 -0.157 14.607) 14.608 24.231 ( 0.000 -0.287 20.965) 20.967 24.683 ( 0.000 9.067 -10.507) 13.878 24.852 ( 0.000 -8.252 -19.710) 21.367 27.097 ( 0.000 5.843 3.208) 6.666 27.173 ( 0.000 2.074 -4.143) 4.633 27.257 ( 0.000 -5.892 3.778) 7.000 27.307 ( 0.000 -7.122 -1.241) 7.229 35.708 ( 0.000 1.362 33.934) 33.962 35.718 ( 0.000 2.932 32.961) 33.091 35.913 ( 0.000 25.905 19.410) 32.370 36.271 ( 0.000 17.194 -22.357) 28.204 36.410 ( 0.000 2.245 -29.086) 29.173 36.473 ( 0.000 -8.130 -17.004) 18.848 36.584 ( 0.000 -23.560 -2.339) 23.676 36.836 ( 0.000 -27.623 -15.871) 31.858 42.257 ( 0.000 5.376 7.123) 8.924 42.302 ( 0.000 0.796 4.453) 4.524 42.704 ( 0.000 6.091 -0.235) 6.096 42.792 ( 0.000 -3.047 -7.153) 7.775 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.11 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 1.201 3.073 13.299) 13.703 2.980 ( 0.289 -6.873 7.083) 9.874 3.235 ( 1.730 2.533 -4.466) 5.418 3.282 ( 1.024 -2.350 -7.755) 8.168 3.333 ( 0.330 7.230 6.292) 9.590 3.491 ( 0.023 -7.095 5.664) 9.078 3.608 ( -0.620 0.613 -16.810) 16.833 3.660 ( -1.046 -3.766 -11.015) 11.688 3.856 ( 0.212 2.324 0.703) 2.437 3.883 ( 1.045 0.488 -1.669) 2.029 4.415 ( 1.347 -3.459 -0.592) 3.759 4.429 ( 1.117 -4.694 -1.896) 5.184 6.019 ( 2.091 6.580 9.481) 11.729 6.071 ( 5.667 1.703 7.858) 9.837 6.411 ( -9.603 7.082 11.640) 16.669 6.483 ( -9.145 2.480 17.303) 19.728 6.872 ( -4.585 5.847 -9.119) 11.763 6.973 ( -3.762 5.022 -6.921) 9.343 7.063 ( -3.468 2.153 1.726) 4.432 7.229 ( 8.225 -12.276 19.223) 24.247 7.548 ( 6.738 7.629 -16.606) 19.477 7.678 ( 5.853 -6.451 1.742) 8.883 7.747 ( 10.471 -6.164 -12.443) 17.392 7.790 ( 4.670 -10.739 -15.890) 19.739 13.751 ( -15.362 23.366 29.115) 40.369 14.049 ( -3.677 -6.670 15.736) 17.482 14.605 ( -17.059 19.722 -11.007) 28.304 14.849 ( -6.336 0.176 -16.983) 18.127 15.328 ( 32.215 8.587 24.757) 41.527 15.772 ( 24.279 -34.430 6.721) 42.662 16.040 ( 40.973 0.185 -26.786) 48.953 16.188 ( 35.026 -15.779 -19.878) 43.255 19.261 ( 8.027 1.127 17.969) 19.712 19.265 ( 3.836 1.329 18.757) 19.191 20.154 ( 0.931 3.563 -13.999) 14.475 20.169 ( -0.791 2.170 -14.453) 14.636 21.511 ( -3.456 21.700 27.308) 35.051 21.871 ( -4.925 -8.411 23.126) 25.096 22.145 ( -7.240 18.345 -15.297) 24.959 22.616 ( -7.562 -23.627 -29.931) 38.875 24.194 ( -2.674 1.364 18.352) 18.596 24.222 ( -1.544 -1.446 18.050) 18.173 24.646 ( -3.598 9.043 -10.961) 14.658 24.815 ( -3.637 -8.294 -19.831) 21.801 27.085 ( -1.145 5.928 3.192) 6.829 27.153 ( -1.869 2.801 -3.285) 4.705 27.237 ( -1.879 -6.563 3.317) 7.590 27.275 ( -2.918 -6.785 -0.621) 7.412 35.439 ( -14.022 21.992 22.583) 34.500 35.764 ( 0.536 -10.751 27.792) 29.804 35.914 ( -16.429 20.763 -19.738) 33.025 36.273 ( 21.248 10.326 22.965) 32.946 36.327 ( -6.649 -17.648 -19.036) 26.796 36.648 ( 9.565 -26.709 14.305) 31.772 36.861 ( 22.907 6.316 -26.806) 35.822 37.046 ( 16.442 -14.360 -21.468) 30.617 42.203 ( -5.069 6.323 7.307) 10.912 42.257 ( -4.134 0.779 3.808) 5.674 42.648 ( -5.296 5.993 -0.340) 8.005 42.740 ( -4.982 -3.389 -7.436) 9.571 ======================= Grid point 281 (98/100) ======================= q-point: ( 0.22 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 6.248 0.791 11.363) 12.992 3.017 ( 3.473 -5.447 6.961) 9.496 3.289 ( -0.681 2.797 -4.224) 5.112 3.293 ( 2.832 1.419 -3.569) 4.772 3.350 ( 2.660 0.710 3.841) 4.726 3.456 ( -2.154 -6.624 2.289) 7.332 3.624 ( 1.782 0.315 -11.511) 11.653 3.656 ( 1.362 -2.898 -12.331) 12.740 3.851 ( -1.214 1.834 1.373) 2.593 3.887 ( -1.085 -1.064 -1.680) 2.266 4.436 ( 0.035 -2.458 -0.987) 2.649 4.439 ( -0.622 -2.901 -1.227) 3.211 5.918 ( -10.756 7.054 18.186) 22.276 6.034 ( -11.052 -5.346 20.668) 24.039 6.276 ( -5.255 12.919 -13.374) 19.324 6.438 ( -2.031 -2.051 -7.127) 7.689 6.648 ( -5.629 13.888 -3.641) 15.422 6.827 ( -1.381 0.271 -12.560) 12.639 7.249 ( 12.014 7.327 17.386) 22.368 7.430 ( 9.276 -12.188 10.670) 18.667 7.704 ( 7.932 2.306 -2.739) 8.703 7.801 ( 5.549 -8.382 2.702) 10.409 7.887 ( 4.472 -4.611 -9.797) 11.715 7.956 ( 9.152 -7.766 -12.274) 17.167 13.502 ( -8.573 37.871 19.861) 43.614 13.893 ( -10.632 15.839 -13.354) 23.286 14.389 ( -4.443 -14.791 9.607) 18.188 14.682 ( -7.578 -27.118 -14.664) 31.746 16.188 ( 45.837 7.351 34.534) 57.859 16.410 ( 36.555 -17.104 23.795) 46.851 16.924 ( 42.665 4.581 -29.534) 52.092 17.018 ( 42.606 -5.057 -28.032) 51.251 19.319 ( -0.136 11.266 26.047) 28.379 19.478 ( 11.786 -6.129 15.529) 20.436 20.109 ( -5.801 7.622 -16.096) 18.730 20.184 ( 1.668 -1.209 -18.198) 18.314 21.465 ( 0.506 13.832 23.641) 27.395 21.753 ( -5.710 -13.224 27.973) 31.464 21.988 ( -6.269 19.317 -20.476) 28.839 22.414 ( -11.260 -22.097 -29.197) 38.309 24.126 ( -3.619 2.478 18.387) 18.903 24.169 ( -3.474 -1.762 17.814) 18.235 24.537 ( -6.896 8.836 -11.458) 16.029 24.702 ( -7.388 -8.094 -19.456) 22.330 27.051 ( -2.085 5.968 3.209) 7.089 27.099 ( -3.260 3.569 -0.792) 4.898 27.186 ( -2.978 -6.931 1.990) 7.801 27.198 ( -4.194 -6.165 0.424) 7.468 35.189 ( -10.136 32.165 15.166) 36.978 35.529 ( -15.714 26.927 -16.258) 35.161 35.826 ( 0.658 -27.675 16.144) 32.047 36.165 ( -7.515 -33.717 -15.576) 37.893 36.782 ( 25.849 6.295 27.442) 38.222 36.953 ( 19.296 -12.998 21.833) 31.905 37.324 ( 21.177 4.280 -23.421) 31.864 37.422 ( 18.733 -6.269 -21.491) 29.190 42.069 ( -7.262 8.808 7.118) 13.453 42.148 ( -5.972 1.193 1.604) 6.297 42.496 ( -9.137 5.371 -0.380) 10.605 42.596 ( -8.689 -4.399 -7.984) 12.594 ======================= Grid point 282 (99/100) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 5.492 0.610 7.633) 9.423 3.121 ( 7.186 -1.918 6.905) 10.149 3.262 ( -0.836 4.972 1.056) 5.151 3.344 ( 1.069 -2.210 -4.855) 5.440 3.429 ( 4.053 -1.885 1.733) 4.794 3.454 ( 2.932 -5.322 0.669) 6.113 3.681 ( 3.054 2.222 -4.594) 5.948 3.721 ( 3.923 0.144 -7.012) 8.036 3.813 ( -1.381 -3.076 -1.738) 3.793 3.839 ( -1.546 -3.404 -3.311) 4.995 4.378 ( -5.715 -1.191 0.296) 5.845 4.395 ( -4.804 -2.928 -1.298) 5.774 5.702 ( -8.170 6.282 13.476) 16.965 5.813 ( -8.043 -5.263 13.589) 16.645 6.048 ( -14.322 8.069 -17.500) 24.010 6.176 ( -16.089 -5.633 -19.346) 25.785 6.803 ( 12.011 23.211 8.686) 27.541 6.943 ( 8.660 12.897 -5.173) 16.373 7.460 ( 7.657 -0.966 10.547) 13.069 7.568 ( 4.082 -13.890 2.792) 14.744 7.835 ( 4.035 -3.030 3.348) 6.055 7.928 ( 7.192 -8.942 5.678) 12.804 7.961 ( 2.891 0.566 -4.005) 4.972 8.105 ( 5.004 -9.772 -7.243) 13.152 13.393 ( -2.316 47.458 10.339) 48.626 13.672 ( -10.018 39.121 -16.024) 43.446 14.359 ( 0.491 -41.683 8.547) 42.553 14.550 ( -5.398 -41.243 -9.785) 42.730 17.088 ( 39.873 5.565 32.993) 52.052 17.198 ( 38.176 -5.839 31.867) 50.070 17.725 ( 33.226 6.542 -24.738) 41.937 17.795 ( 29.914 -1.201 -19.718) 35.848 19.227 ( -7.771 28.226 26.395) 39.418 19.685 ( 6.172 -12.015 0.510) 13.517 19.911 ( -12.120 10.054 -10.936) 19.172 20.199 ( -1.351 -13.636 -19.704) 24.000 21.567 ( 9.125 3.446 17.599) 20.122 21.686 ( 0.549 -8.660 24.035) 25.553 21.932 ( 0.230 10.142 -16.851) 19.669 22.187 ( -10.286 -15.594 -23.430) 29.966 24.067 ( -1.477 2.245 14.729) 14.972 24.097 ( -2.792 -0.755 13.721) 14.023 24.370 ( -9.059 7.921 -9.927) 15.600 24.514 ( -10.677 -6.937 -16.829) 21.103 27.006 ( -2.108 5.614 3.403) 6.895 27.031 ( -3.085 3.601 1.766) 5.060 27.113 ( -3.396 -5.023 1.526) 6.253 27.125 ( -3.013 -6.770 0.240) 7.414 35.030 ( -5.129 39.175 7.897) 40.291 35.245 ( -11.694 36.494 -12.483) 40.303 35.833 ( 0.300 -42.560 8.400) 43.382 36.023 ( -6.258 -42.909 -9.778) 44.452 37.295 ( 23.053 3.965 22.795) 32.662 37.384 ( 21.018 -5.687 21.156) 30.359 37.689 ( 13.287 3.460 -14.373) 19.877 37.760 ( 12.867 -3.966 -14.023) 19.441 41.937 ( -4.804 12.056 4.982) 13.902 42.036 ( -4.438 4.057 -2.657) 6.573 42.294 ( -9.773 2.499 0.437) 10.097 42.399 ( -9.977 -6.040 -7.860) 14.064 ======================= Grid point 283 (100/100) ======================= q-point: ( 0.44 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 3.528 5.454 4.317) 7.799 3.226 ( 0.237 6.904 0.134) 6.910 3.277 ( 3.360 -2.712 5.116) 6.694 3.335 ( -1.734 -2.169 -0.634) 2.849 3.504 ( 4.444 -1.059 2.568) 5.240 3.566 ( 6.500 -6.959 -2.770) 9.917 3.618 ( -6.079 1.251 2.627) 6.739 3.701 ( -6.132 -6.255 -4.143) 9.690 3.922 ( 12.661 1.125 0.347) 12.716 3.981 ( 11.339 -4.831 -4.827) 13.237 4.194 ( -11.813 -0.574 1.603) 11.935 4.229 ( -10.910 -3.875 -1.578) 11.685 5.634 ( 1.994 6.254 1.507) 6.735 5.744 ( 0.415 -3.463 -0.949) 3.614 5.779 ( -9.394 4.191 -8.177) 13.140 5.887 ( -11.037 -5.475 -10.718) 16.330 7.013 ( 7.366 28.508 4.616) 29.804 7.071 ( 2.225 26.730 -1.006) 26.842 7.560 ( 2.949 -17.730 4.704) 18.579 7.602 ( -0.738 -19.679 0.869) 19.712 7.908 ( 3.591 1.990 4.361) 5.989 7.965 ( -1.349 4.835 -0.870) 5.094 8.084 ( 5.767 -11.446 5.480) 13.940 8.152 ( -0.572 -11.219 -0.895) 11.269 13.399 ( 2.709 51.919 0.521) 51.992 13.498 ( -6.787 49.781 -8.886) 51.021 14.390 ( 2.427 -50.780 1.796) 50.869 14.455 ( -3.890 -49.487 -4.501) 49.843 17.790 ( 27.674 6.903 28.282) 40.167 17.876 ( 25.321 -2.459 26.573) 36.787 18.124 ( -0.517 2.505 6.975) 7.430 18.138 ( 2.876 1.071 2.403) 3.898 19.161 ( 6.953 41.377 -0.955) 41.969 19.486 ( -19.427 34.062 -24.405) 46.187 19.906 ( 8.186 -35.229 -1.620) 36.204 20.096 ( -8.512 -28.683 -16.066) 33.960 21.781 ( 9.428 -1.455 9.790) 13.670 21.795 ( 9.493 -2.772 8.842) 13.266 21.925 ( -2.834 0.052 -4.091) 4.977 21.990 ( -9.303 -6.241 -9.050) 14.402 24.078 ( 2.427 2.308 7.175) 7.918 24.107 ( 5.178 -0.546 1.494) 5.417 24.188 ( -7.886 5.617 -3.970) 10.464 24.283 ( -10.952 -4.199 -9.797) 15.282 26.974 ( -0.712 4.816 3.668) 6.095 26.982 ( -1.466 3.960 3.335) 5.381 27.067 ( -0.945 -5.028 0.877) 5.190 27.075 ( -1.624 -5.797 0.238) 6.025 34.983 ( 0.640 42.730 0.644) 42.740 35.057 ( -6.476 41.896 -6.355) 42.867 35.852 ( 1.813 -48.436 1.640) 48.498 35.914 ( -4.213 -48.068 -4.268) 48.441 37.684 ( 13.874 3.374 12.776) 19.160 37.754 ( 13.627 -3.863 12.553) 18.927 37.832 ( -0.018 3.343 -0.877) 3.456 37.900 ( -0.033 -3.768 -0.903) 3.875 41.898 ( 1.204 15.219 0.067) 15.266 41.962 ( -3.643 13.847 -5.748) 15.429 42.150 ( -2.328 -6.980 0.494) 7.375 42.214 ( -7.218 -8.284 -5.361) 12.225 =================== 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 3/34020 10.0 827.446 906.659 841.177 0.000 0.000 0.000 3/34020 20.0 492.650 556.071 500.855 0.000 0.000 0.000 3/34020 30.0 197.337 215.797 198.649 0.000 0.000 -0.000 3/34020 40.0 101.393 109.462 99.849 0.000 0.000 -0.000 3/34020 50.0 61.650 66.086 59.926 0.000 0.000 -0.000 3/34020 60.0 42.495 45.328 41.006 0.000 0.000 -0.000 3/34020 70.0 32.002 33.965 30.743 0.000 0.000 -0.000 3/34020 80.0 25.627 27.047 24.544 0.000 0.000 -0.000 3/34020 90.0 21.416 22.469 20.466 0.000 0.000 -0.000 3/34020 100.0 18.442 19.235 17.593 0.000 0.000 -0.000 3/34020 110.0 16.226 16.828 15.457 0.000 0.000 -0.000 3/34020 120.0 14.504 14.964 13.800 0.000 0.000 -0.000 3/34020 130.0 13.122 13.474 12.472 0.000 0.000 -0.000 3/34020 140.0 11.985 12.253 11.380 0.000 0.000 -0.000 3/34020 150.0 11.029 11.232 10.463 0.000 0.000 -0.000 3/34020 160.0 10.213 10.364 9.682 0.000 0.000 -0.000 3/34020 170.0 9.508 9.618 9.008 0.000 0.000 -0.000 3/34020 180.0 8.892 8.969 8.420 0.000 0.000 -0.000 3/34020 190.0 8.348 8.400 7.902 0.000 0.000 -0.000 3/34020 200.0 7.866 7.896 7.443 0.000 0.000 -0.000 3/34020 210.0 7.434 7.447 7.032 0.000 0.000 -0.000 3/34020 220.0 7.046 7.045 6.664 0.000 0.000 -0.000 3/34020 230.0 6.696 6.682 6.331 0.000 0.000 -0.000 3/34020 240.0 6.377 6.354 6.029 0.000 0.000 -0.000 3/34020 250.0 6.086 6.056 5.754 0.000 0.000 -0.000 3/34020 260.0 5.820 5.784 5.503 0.000 0.000 -0.000 3/34020 270.0 5.576 5.534 5.272 0.000 0.000 -0.000 3/34020 280.0 5.350 5.305 5.059 0.000 0.000 -0.000 3/34020 290.0 5.142 5.093 4.862 0.000 0.000 -0.000 3/34020 300.0 4.949 4.897 4.680 0.000 0.000 -0.000 3/34020 310.0 4.770 4.716 4.511 0.000 0.000 -0.000 3/34020 320.0 4.603 4.547 4.353 0.000 0.000 -0.000 3/34020 330.0 4.447 4.389 4.206 0.000 0.000 -0.000 3/34020 340.0 4.301 4.242 4.069 0.000 0.000 -0.000 3/34020 350.0 4.164 4.105 3.940 0.000 0.000 -0.000 3/34020 360.0 4.035 3.976 3.819 0.000 0.000 -0.000 3/34020 370.0 3.914 3.854 3.705 0.000 0.000 -0.000 3/34020 380.0 3.800 3.740 3.597 0.000 0.000 -0.000 3/34020 390.0 3.693 3.633 3.496 0.000 0.000 -0.000 3/34020 400.0 3.591 3.531 3.400 0.000 0.000 -0.000 3/34020 410.0 3.495 3.435 3.309 0.000 0.000 -0.000 3/34020 420.0 3.404 3.344 3.223 0.000 0.000 -0.000 3/34020 430.0 3.317 3.258 3.141 0.000 0.000 -0.000 3/34020 440.0 3.235 3.176 3.064 0.000 0.000 -0.000 3/34020 450.0 3.156 3.098 2.990 0.000 0.000 -0.000 3/34020 460.0 3.082 3.024 2.919 0.000 0.000 -0.000 3/34020 470.0 3.010 2.953 2.852 0.000 0.000 -0.000 3/34020 480.0 2.942 2.886 2.788 0.000 0.000 -0.000 3/34020 490.0 2.878 2.821 2.727 0.000 0.000 -0.000 3/34020 500.0 2.815 2.760 2.668 0.000 0.000 -0.000 3/34020 510.0 2.756 2.701 2.612 0.000 0.000 -0.000 3/34020 520.0 2.699 2.644 2.558 0.000 0.000 -0.000 3/34020 530.0 2.644 2.590 2.507 0.000 0.000 -0.000 3/34020 540.0 2.592 2.538 2.457 0.000 0.000 -0.000 3/34020 550.0 2.541 2.488 2.409 0.000 0.000 -0.000 3/34020 560.0 2.493 2.441 2.364 0.000 0.000 -0.000 3/34020 570.0 2.446 2.395 2.320 0.000 0.000 -0.000 3/34020 580.0 2.401 2.350 2.277 0.000 0.000 -0.000 3/34020 590.0 2.358 2.307 2.236 0.000 0.000 -0.000 3/34020 600.0 2.316 2.266 2.197 0.000 0.000 -0.000 3/34020 610.0 2.276 2.227 2.159 0.000 0.000 -0.000 3/34020 620.0 2.237 2.188 2.122 0.000 0.000 -0.000 3/34020 630.0 2.200 2.151 2.086 0.000 0.000 -0.000 3/34020 640.0 2.163 2.116 2.052 0.000 0.000 -0.000 3/34020 650.0 2.128 2.081 2.019 0.000 0.000 -0.000 3/34020 660.0 2.094 2.048 1.987 0.000 0.000 -0.000 3/34020 670.0 2.061 2.015 1.956 0.000 0.000 -0.000 3/34020 680.0 2.030 1.984 1.926 0.000 0.000 -0.000 3/34020 690.0 1.999 1.954 1.896 0.000 0.000 -0.000 3/34020 700.0 1.969 1.924 1.868 0.000 0.000 -0.000 3/34020 710.0 1.940 1.896 1.841 0.000 0.000 -0.000 3/34020 720.0 1.912 1.868 1.814 0.000 0.000 -0.000 3/34020 730.0 1.884 1.841 1.788 0.000 0.000 -0.000 3/34020 740.0 1.858 1.815 1.763 0.000 0.000 -0.000 3/34020 750.0 1.832 1.789 1.738 0.000 0.000 -0.000 3/34020 760.0 1.807 1.765 1.715 0.000 0.000 -0.000 3/34020 770.0 1.782 1.741 1.691 0.000 0.000 -0.000 3/34020 780.0 1.759 1.718 1.669 0.000 0.000 -0.000 3/34020 790.0 1.735 1.695 1.647 0.000 0.000 -0.000 3/34020 800.0 1.713 1.673 1.626 0.000 0.000 -0.000 3/34020 810.0 1.691 1.651 1.605 0.000 0.000 -0.000 3/34020 820.0 1.670 1.630 1.585 0.000 0.000 -0.000 3/34020 830.0 1.649 1.610 1.565 0.000 0.000 -0.000 3/34020 840.0 1.628 1.590 1.546 0.000 0.000 -0.000 3/34020 850.0 1.609 1.570 1.527 0.000 0.000 -0.000 3/34020 860.0 1.589 1.551 1.509 0.000 0.000 -0.000 3/34020 870.0 1.570 1.533 1.491 0.000 0.000 -0.000 3/34020 880.0 1.552 1.515 1.473 0.000 0.000 -0.000 3/34020 890.0 1.534 1.497 1.456 0.000 0.000 -0.000 3/34020 900.0 1.516 1.480 1.440 0.000 0.000 -0.000 3/34020 910.0 1.499 1.463 1.423 0.000 0.000 -0.000 3/34020 920.0 1.483 1.447 1.407 0.000 0.000 -0.000 3/34020 930.0 1.466 1.431 1.392 0.000 0.000 -0.000 3/34020 940.0 1.450 1.415 1.377 0.000 0.000 -0.000 3/34020 950.0 1.434 1.400 1.362 0.000 0.000 -0.000 3/34020 960.0 1.419 1.385 1.347 0.000 0.000 -0.000 3/34020 970.0 1.404 1.370 1.333 0.000 0.000 -0.000 3/34020 980.0 1.389 1.356 1.319 0.000 0.000 -0.000 3/34020 990.0 1.375 1.341 1.305 0.000 0.000 -0.000 3/34020 1000.0 1.361 1.328 1.292 0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|