----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:55:49]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.151432469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.507512490000000 Atomic positions (fractional): *1 O 0.13360761699238 0.80535591275876 0.00000000000000 15.999 2 O 0.86639238300762 0.19464408724124 0.00000000000000 15.999 3 O 0.63360761699238 0.69464408724124 0.00000000000000 15.999 4 O 0.36639238300762 0.30535591275876 0.00000000000000 15.999 *5 O 0.27406465644270 0.55118997334458 0.50000000000000 15.999 6 O 0.72593534355730 0.44881002665541 0.50000000000000 15.999 7 O 0.22593534355730 0.05118997334458 0.50000000000000 15.999 8 O 0.77406465644270 0.94881002665542 0.50000000000000 15.999 *9 Sr 0.42506826119917 0.81890694845042 0.50000000000000 87.620 10 Sr 0.57493173880083 0.18109305154958 0.50000000000000 87.620 11 Sr 0.92506826119917 0.68109305154958 0.50000000000000 87.620 12 Sr 0.07493173880083 0.31890694845042 0.50000000000000 87.620 *13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.151432469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.507512490000000 Atomic positions (fractional): *1 O 0.13360761699238 0.80535591275876 0.00000000000000 15.999 > 1 2 O 0.86639238300762 0.19464408724124 0.00000000000000 15.999 > 2 3 O 0.63360761699238 0.69464408724124 0.00000000000000 15.999 > 3 4 O 0.36639238300762 0.30535591275876 0.00000000000000 15.999 > 4 *5 O 0.27406465644270 0.55118997334458 0.50000000000000 15.999 > 5 6 O 0.72593534355730 0.44881002665541 0.50000000000000 15.999 > 6 7 O 0.22593534355730 0.05118997334458 0.50000000000000 15.999 > 7 8 O 0.77406465644270 0.94881002665542 0.50000000000000 15.999 > 8 *9 Sr 0.42506826119917 0.81890694845042 0.50000000000000 87.620 > 9 10 Sr 0.57493173880083 0.18109305154958 0.50000000000000 87.620 > 10 11 Sr 0.92506826119917 0.68109305154958 0.50000000000000 87.620 > 11 12 Sr 0.07493173880083 0.31890694845042 0.50000000000000 87.620 > 12 *13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 13 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.302864939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522537470000000 Atomic positions (fractional): *1 O 0.06680380849619 0.80535591275876 0.00000000000000 15.999 > 1 2 O 0.56680380849619 0.80535591275876 0.00000000000000 15.999 > 1 3 O 0.06680380849619 0.80535591275876 0.33333333333333 15.999 > 1 4 O 0.56680380849619 0.80535591275876 0.33333333333333 15.999 > 1 5 O 0.06680380849619 0.80535591275876 0.66666666666667 15.999 > 1 6 O 0.56680380849619 0.80535591275876 0.66666666666667 15.999 > 1 7 O 0.43319619150381 0.19464408724124 0.00000000000000 15.999 > 2 8 O 0.93319619150381 0.19464408724124 0.00000000000000 15.999 > 2 9 O 0.43319619150381 0.19464408724124 0.33333333333333 15.999 > 2 10 O 0.93319619150381 0.19464408724124 0.33333333333333 15.999 > 2 11 O 0.43319619150381 0.19464408724124 0.66666666666667 15.999 > 2 12 O 0.93319619150381 0.19464408724124 0.66666666666667 15.999 > 2 13 O 0.31680380849619 0.69464408724124 0.00000000000000 15.999 > 3 14 O 0.81680380849619 0.69464408724124 0.00000000000000 15.999 > 3 15 O 0.31680380849619 0.69464408724124 0.33333333333333 15.999 > 3 16 O 0.81680380849619 0.69464408724124 0.33333333333333 15.999 > 3 17 O 0.31680380849619 0.69464408724124 0.66666666666667 15.999 > 3 18 O 0.81680380849619 0.69464408724124 0.66666666666667 15.999 > 3 19 O 0.18319619150381 0.30535591275876 0.00000000000000 15.999 > 4 20 O 0.68319619150381 0.30535591275876 0.00000000000000 15.999 > 4 21 O 0.18319619150381 0.30535591275876 0.33333333333333 15.999 > 4 22 O 0.68319619150381 0.30535591275876 0.33333333333333 15.999 > 4 23 O 0.18319619150381 0.30535591275876 0.66666666666667 15.999 > 4 24 O 0.68319619150381 0.30535591275876 0.66666666666667 15.999 > 4 *25 O 0.13703232822135 0.55118997334458 0.16666666666667 15.999 > 5 26 O 0.63703232822135 0.55118997334458 0.16666666666667 15.999 > 5 27 O 0.13703232822135 0.55118997334458 0.50000000000000 15.999 > 5 28 O 0.63703232822135 0.55118997334458 0.50000000000000 15.999 > 5 29 O 0.13703232822135 0.55118997334458 0.83333333333333 15.999 > 5 30 O 0.63703232822135 0.55118997334458 0.83333333333333 15.999 > 5 31 O 0.36296767177865 0.44881002665541 0.16666666666667 15.999 > 6 32 O 0.86296767177865 0.44881002665541 0.16666666666667 15.999 > 6 33 O 0.36296767177865 0.44881002665541 0.50000000000000 15.999 > 6 34 O 0.86296767177865 0.44881002665541 0.50000000000000 15.999 > 6 35 O 0.36296767177865 0.44881002665541 0.83333333333333 15.999 > 6 36 O 0.86296767177865 0.44881002665541 0.83333333333333 15.999 > 6 37 O 0.11296767177865 0.05118997334458 0.16666666666667 15.999 > 7 38 O 0.61296767177865 0.05118997334458 0.16666666666667 15.999 > 7 39 O 0.11296767177865 0.05118997334458 0.50000000000000 15.999 > 7 40 O 0.61296767177865 0.05118997334458 0.50000000000000 15.999 > 7 41 O 0.11296767177865 0.05118997334458 0.83333333333333 15.999 > 7 42 O 0.61296767177865 0.05118997334458 0.83333333333333 15.999 > 7 43 O 0.38703232822135 0.94881002665542 0.16666666666667 15.999 > 8 44 O 0.88703232822135 0.94881002665542 0.16666666666667 15.999 > 8 45 O 0.38703232822135 0.94881002665542 0.50000000000000 15.999 > 8 46 O 0.88703232822135 0.94881002665542 0.50000000000000 15.999 > 8 47 O 0.38703232822135 0.94881002665542 0.83333333333333 15.999 > 8 48 O 0.88703232822135 0.94881002665542 0.83333333333333 15.999 > 8 *49 Sr 0.21253413059958 0.81890694845042 0.16666666666667 87.620 > 9 50 Sr 0.71253413059958 0.81890694845042 0.16666666666667 87.620 > 9 51 Sr 0.21253413059958 0.81890694845042 0.50000000000000 87.620 > 9 52 Sr 0.71253413059958 0.81890694845042 0.50000000000000 87.620 > 9 53 Sr 0.21253413059958 0.81890694845042 0.83333333333333 87.620 > 9 54 Sr 0.71253413059958 0.81890694845042 0.83333333333333 87.620 > 9 55 Sr 0.28746586940042 0.18109305154958 0.16666666666667 87.620 > 10 56 Sr 0.78746586940042 0.18109305154958 0.16666666666667 87.620 > 10 57 Sr 0.28746586940042 0.18109305154958 0.50000000000000 87.620 > 10 58 Sr 0.78746586940042 0.18109305154958 0.50000000000000 87.620 > 10 59 Sr 0.28746586940042 0.18109305154958 0.83333333333333 87.620 > 10 60 Sr 0.78746586940042 0.18109305154958 0.83333333333333 87.620 > 10 61 Sr 0.46253413059958 0.68109305154958 0.16666666666667 87.620 > 11 62 Sr 0.96253413059958 0.68109305154958 0.16666666666667 87.620 > 11 63 Sr 0.46253413059958 0.68109305154958 0.50000000000000 87.620 > 11 64 Sr 0.96253413059958 0.68109305154958 0.50000000000000 87.620 > 11 65 Sr 0.46253413059958 0.68109305154958 0.83333333333333 87.620 > 11 66 Sr 0.96253413059958 0.68109305154958 0.83333333333333 87.620 > 11 67 Sr 0.03746586940042 0.31890694845042 0.16666666666667 87.620 > 12 68 Sr 0.53746586940042 0.31890694845042 0.16666666666667 87.620 > 12 69 Sr 0.03746586940042 0.31890694845042 0.50000000000000 87.620 > 12 70 Sr 0.53746586940042 0.31890694845042 0.50000000000000 87.620 > 12 71 Sr 0.03746586940042 0.31890694845042 0.83333333333333 87.620 > 12 72 Sr 0.53746586940042 0.31890694845042 0.83333333333333 87.620 > 12 *73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 13 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 13 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 13 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 13 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 13 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 13 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 14 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 14 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 14 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 14 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 14 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5729394 0.0000000 0.0000000 0.0000000 4.7581520 0.0000000 0.0000000 0.0000000 5.0110369 -------------------------- Born effective charges -------------------------- 1 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 2 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 3 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 4 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 5 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 6 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 7 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 8 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 9 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 10 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 11 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 12 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 13 Pb 2.7621538 0.0751631 0.0000000 -0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 14 Pb 2.7621538 -0.0751631 0.0000000 0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.504 Solver_block: 200 / 240 - Time: 0.506 Solver_block: 240 / 240 - Time: 0.238 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.262 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 04:55:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:55:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.151432469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.507512490000000 Atomic positions (fractional): 1 O 0.13360761699238 0.80535591275876 0.00000000000000 15.999 2 O 0.86639238300762 0.19464408724124 0.00000000000000 15.999 3 O 0.63360761699238 0.69464408724124 0.00000000000000 15.999 4 O 0.36639238300762 0.30535591275876 0.00000000000000 15.999 5 O 0.27406465644270 0.55118997334458 0.50000000000000 15.999 6 O 0.72593534355730 0.44881002665541 0.50000000000000 15.999 7 O 0.22593534355730 0.05118997334458 0.50000000000000 15.999 8 O 0.77406465644270 0.94881002665542 0.50000000000000 15.999 9 Sr 0.42506826119917 0.81890694845042 0.50000000000000 87.620 10 Sr 0.57493173880083 0.18109305154958 0.50000000000000 87.620 11 Sr 0.92506826119917 0.68109305154958 0.50000000000000 87.620 12 Sr 0.07493173880083 0.31890694845042 0.50000000000000 87.620 13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.302864939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522537470000000 Atomic positions (fractional): 1 O 0.06680380849619 0.80535591275876 0.00000000000000 15.999 > 1 2 O 0.56680380849619 0.80535591275876 0.00000000000000 15.999 > 1 3 O 0.06680380849619 0.80535591275876 0.33333333333333 15.999 > 1 4 O 0.56680380849619 0.80535591275876 0.33333333333333 15.999 > 1 5 O 0.06680380849619 0.80535591275876 0.66666666666667 15.999 > 1 6 O 0.56680380849619 0.80535591275876 0.66666666666667 15.999 > 1 7 O 0.43319619150381 0.19464408724124 0.00000000000000 15.999 > 7 8 O 0.93319619150381 0.19464408724124 0.00000000000000 15.999 > 7 9 O 0.43319619150381 0.19464408724124 0.33333333333333 15.999 > 7 10 O 0.93319619150381 0.19464408724124 0.33333333333333 15.999 > 7 11 O 0.43319619150381 0.19464408724124 0.66666666666667 15.999 > 7 12 O 0.93319619150381 0.19464408724124 0.66666666666667 15.999 > 7 13 O 0.31680380849619 0.69464408724124 0.00000000000000 15.999 > 13 14 O 0.81680380849619 0.69464408724124 0.00000000000000 15.999 > 13 15 O 0.31680380849619 0.69464408724124 0.33333333333333 15.999 > 13 16 O 0.81680380849619 0.69464408724124 0.33333333333333 15.999 > 13 17 O 0.31680380849619 0.69464408724124 0.66666666666667 15.999 > 13 18 O 0.81680380849619 0.69464408724124 0.66666666666667 15.999 > 13 19 O 0.18319619150381 0.30535591275876 0.00000000000000 15.999 > 19 20 O 0.68319619150381 0.30535591275876 0.00000000000000 15.999 > 19 21 O 0.18319619150381 0.30535591275876 0.33333333333333 15.999 > 19 22 O 0.68319619150381 0.30535591275876 0.33333333333333 15.999 > 19 23 O 0.18319619150381 0.30535591275876 0.66666666666667 15.999 > 19 24 O 0.68319619150381 0.30535591275876 0.66666666666667 15.999 > 19 25 O 0.13703232822135 0.55118997334458 0.16666666666667 15.999 > 25 26 O 0.63703232822135 0.55118997334458 0.16666666666667 15.999 > 25 27 O 0.13703232822135 0.55118997334458 0.50000000000000 15.999 > 25 28 O 0.63703232822135 0.55118997334458 0.50000000000000 15.999 > 25 29 O 0.13703232822135 0.55118997334458 0.83333333333333 15.999 > 25 30 O 0.63703232822135 0.55118997334458 0.83333333333333 15.999 > 25 31 O 0.36296767177865 0.44881002665541 0.16666666666667 15.999 > 31 32 O 0.86296767177865 0.44881002665541 0.16666666666667 15.999 > 31 33 O 0.36296767177865 0.44881002665541 0.50000000000000 15.999 > 31 34 O 0.86296767177865 0.44881002665541 0.50000000000000 15.999 > 31 35 O 0.36296767177865 0.44881002665541 0.83333333333333 15.999 > 31 36 O 0.86296767177865 0.44881002665541 0.83333333333333 15.999 > 31 37 O 0.11296767177865 0.05118997334458 0.16666666666667 15.999 > 37 38 O 0.61296767177865 0.05118997334458 0.16666666666667 15.999 > 37 39 O 0.11296767177865 0.05118997334458 0.50000000000000 15.999 > 37 40 O 0.61296767177865 0.05118997334458 0.50000000000000 15.999 > 37 41 O 0.11296767177865 0.05118997334458 0.83333333333333 15.999 > 37 42 O 0.61296767177865 0.05118997334458 0.83333333333333 15.999 > 37 43 O 0.38703232822135 0.94881002665542 0.16666666666667 15.999 > 43 44 O 0.88703232822135 0.94881002665542 0.16666666666667 15.999 > 43 45 O 0.38703232822135 0.94881002665542 0.50000000000000 15.999 > 43 46 O 0.88703232822135 0.94881002665542 0.50000000000000 15.999 > 43 47 O 0.38703232822135 0.94881002665542 0.83333333333333 15.999 > 43 48 O 0.88703232822135 0.94881002665542 0.83333333333333 15.999 > 43 49 Sr 0.21253413059958 0.81890694845042 0.16666666666667 87.620 > 49 50 Sr 0.71253413059958 0.81890694845042 0.16666666666667 87.620 > 49 51 Sr 0.21253413059958 0.81890694845042 0.50000000000000 87.620 > 49 52 Sr 0.71253413059958 0.81890694845042 0.50000000000000 87.620 > 49 53 Sr 0.21253413059958 0.81890694845042 0.83333333333333 87.620 > 49 54 Sr 0.71253413059958 0.81890694845042 0.83333333333333 87.620 > 49 55 Sr 0.28746586940042 0.18109305154958 0.16666666666667 87.620 > 55 56 Sr 0.78746586940042 0.18109305154958 0.16666666666667 87.620 > 55 57 Sr 0.28746586940042 0.18109305154958 0.50000000000000 87.620 > 55 58 Sr 0.78746586940042 0.18109305154958 0.50000000000000 87.620 > 55 59 Sr 0.28746586940042 0.18109305154958 0.83333333333333 87.620 > 55 60 Sr 0.78746586940042 0.18109305154958 0.83333333333333 87.620 > 55 61 Sr 0.46253413059958 0.68109305154958 0.16666666666667 87.620 > 61 62 Sr 0.96253413059958 0.68109305154958 0.16666666666667 87.620 > 61 63 Sr 0.46253413059958 0.68109305154958 0.50000000000000 87.620 > 61 64 Sr 0.96253413059958 0.68109305154958 0.50000000000000 87.620 > 61 65 Sr 0.46253413059958 0.68109305154958 0.83333333333333 87.620 > 61 66 Sr 0.96253413059958 0.68109305154958 0.83333333333333 87.620 > 61 67 Sr 0.03746586940042 0.31890694845042 0.16666666666667 87.620 > 67 68 Sr 0.53746586940042 0.31890694845042 0.16666666666667 87.620 > 67 69 Sr 0.03746586940042 0.31890694845042 0.50000000000000 87.620 > 67 70 Sr 0.53746586940042 0.31890694845042 0.50000000000000 87.620 > 67 71 Sr 0.03746586940042 0.31890694845042 0.83333333333333 87.620 > 67 72 Sr 0.53746586940042 0.31890694845042 0.83333333333333 87.620 > 67 73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 73 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 73 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 73 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 79 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 79 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 79 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 79 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 79 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5729394 0.0000000 0.0000000 0.0000000 4.7581520 0.0000000 0.0000000 0.0000000 5.0110369 -------------------------- Born effective charges -------------------------- 1 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 2 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 3 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 4 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 5 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 6 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 7 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 8 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 9 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 10 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 11 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 12 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 13 Pb 2.7621538 0.0751631 0.0000000 -0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 14 Pb 2.7621538 -0.0751631 0.0000000 0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 04:56:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:56:07]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.151432469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.507512490000000 Atomic positions (fractional): 1 O 0.13360761699238 0.80535591275876 0.00000000000000 15.999 2 O 0.86639238300762 0.19464408724124 0.00000000000000 15.999 3 O 0.63360761699238 0.69464408724124 0.00000000000000 15.999 4 O 0.36639238300762 0.30535591275876 0.00000000000000 15.999 5 O 0.27406465644270 0.55118997334458 0.50000000000000 15.999 6 O 0.72593534355730 0.44881002665541 0.50000000000000 15.999 7 O 0.22593534355730 0.05118997334458 0.50000000000000 15.999 8 O 0.77406465644270 0.94881002665542 0.50000000000000 15.999 9 Sr 0.42506826119917 0.81890694845042 0.50000000000000 87.620 10 Sr 0.57493173880083 0.18109305154958 0.50000000000000 87.620 11 Sr 0.92506826119917 0.68109305154958 0.50000000000000 87.620 12 Sr 0.07493173880083 0.31890694845042 0.50000000000000 87.620 13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.302864939999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.087072510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522537470000000 Atomic positions (fractional): 1 O 0.06680380849619 0.80535591275876 0.00000000000000 15.999 > 1 2 O 0.56680380849619 0.80535591275876 0.00000000000000 15.999 > 1 3 O 0.06680380849619 0.80535591275876 0.33333333333333 15.999 > 1 4 O 0.56680380849619 0.80535591275876 0.33333333333333 15.999 > 1 5 O 0.06680380849619 0.80535591275876 0.66666666666667 15.999 > 1 6 O 0.56680380849619 0.80535591275876 0.66666666666667 15.999 > 1 7 O 0.43319619150381 0.19464408724124 0.00000000000000 15.999 > 7 8 O 0.93319619150381 0.19464408724124 0.00000000000000 15.999 > 7 9 O 0.43319619150381 0.19464408724124 0.33333333333333 15.999 > 7 10 O 0.93319619150381 0.19464408724124 0.33333333333333 15.999 > 7 11 O 0.43319619150381 0.19464408724124 0.66666666666667 15.999 > 7 12 O 0.93319619150381 0.19464408724124 0.66666666666667 15.999 > 7 13 O 0.31680380849619 0.69464408724124 0.00000000000000 15.999 > 13 14 O 0.81680380849619 0.69464408724124 0.00000000000000 15.999 > 13 15 O 0.31680380849619 0.69464408724124 0.33333333333333 15.999 > 13 16 O 0.81680380849619 0.69464408724124 0.33333333333333 15.999 > 13 17 O 0.31680380849619 0.69464408724124 0.66666666666667 15.999 > 13 18 O 0.81680380849619 0.69464408724124 0.66666666666667 15.999 > 13 19 O 0.18319619150381 0.30535591275876 0.00000000000000 15.999 > 19 20 O 0.68319619150381 0.30535591275876 0.00000000000000 15.999 > 19 21 O 0.18319619150381 0.30535591275876 0.33333333333333 15.999 > 19 22 O 0.68319619150381 0.30535591275876 0.33333333333333 15.999 > 19 23 O 0.18319619150381 0.30535591275876 0.66666666666667 15.999 > 19 24 O 0.68319619150381 0.30535591275876 0.66666666666667 15.999 > 19 25 O 0.13703232822135 0.55118997334458 0.16666666666667 15.999 > 25 26 O 0.63703232822135 0.55118997334458 0.16666666666667 15.999 > 25 27 O 0.13703232822135 0.55118997334458 0.50000000000000 15.999 > 25 28 O 0.63703232822135 0.55118997334458 0.50000000000000 15.999 > 25 29 O 0.13703232822135 0.55118997334458 0.83333333333333 15.999 > 25 30 O 0.63703232822135 0.55118997334458 0.83333333333333 15.999 > 25 31 O 0.36296767177865 0.44881002665541 0.16666666666667 15.999 > 31 32 O 0.86296767177865 0.44881002665541 0.16666666666667 15.999 > 31 33 O 0.36296767177865 0.44881002665541 0.50000000000000 15.999 > 31 34 O 0.86296767177865 0.44881002665541 0.50000000000000 15.999 > 31 35 O 0.36296767177865 0.44881002665541 0.83333333333333 15.999 > 31 36 O 0.86296767177865 0.44881002665541 0.83333333333333 15.999 > 31 37 O 0.11296767177865 0.05118997334458 0.16666666666667 15.999 > 37 38 O 0.61296767177865 0.05118997334458 0.16666666666667 15.999 > 37 39 O 0.11296767177865 0.05118997334458 0.50000000000000 15.999 > 37 40 O 0.61296767177865 0.05118997334458 0.50000000000000 15.999 > 37 41 O 0.11296767177865 0.05118997334458 0.83333333333333 15.999 > 37 42 O 0.61296767177865 0.05118997334458 0.83333333333333 15.999 > 37 43 O 0.38703232822135 0.94881002665542 0.16666666666667 15.999 > 43 44 O 0.88703232822135 0.94881002665542 0.16666666666667 15.999 > 43 45 O 0.38703232822135 0.94881002665542 0.50000000000000 15.999 > 43 46 O 0.88703232822135 0.94881002665542 0.50000000000000 15.999 > 43 47 O 0.38703232822135 0.94881002665542 0.83333333333333 15.999 > 43 48 O 0.88703232822135 0.94881002665542 0.83333333333333 15.999 > 43 49 Sr 0.21253413059958 0.81890694845042 0.16666666666667 87.620 > 49 50 Sr 0.71253413059958 0.81890694845042 0.16666666666667 87.620 > 49 51 Sr 0.21253413059958 0.81890694845042 0.50000000000000 87.620 > 49 52 Sr 0.71253413059958 0.81890694845042 0.50000000000000 87.620 > 49 53 Sr 0.21253413059958 0.81890694845042 0.83333333333333 87.620 > 49 54 Sr 0.71253413059958 0.81890694845042 0.83333333333333 87.620 > 49 55 Sr 0.28746586940042 0.18109305154958 0.16666666666667 87.620 > 55 56 Sr 0.78746586940042 0.18109305154958 0.16666666666667 87.620 > 55 57 Sr 0.28746586940042 0.18109305154958 0.50000000000000 87.620 > 55 58 Sr 0.78746586940042 0.18109305154958 0.50000000000000 87.620 > 55 59 Sr 0.28746586940042 0.18109305154958 0.83333333333333 87.620 > 55 60 Sr 0.78746586940042 0.18109305154958 0.83333333333333 87.620 > 55 61 Sr 0.46253413059958 0.68109305154958 0.16666666666667 87.620 > 61 62 Sr 0.96253413059958 0.68109305154958 0.16666666666667 87.620 > 61 63 Sr 0.46253413059958 0.68109305154958 0.50000000000000 87.620 > 61 64 Sr 0.96253413059958 0.68109305154958 0.50000000000000 87.620 > 61 65 Sr 0.46253413059958 0.68109305154958 0.83333333333333 87.620 > 61 66 Sr 0.96253413059958 0.68109305154958 0.83333333333333 87.620 > 61 67 Sr 0.03746586940042 0.31890694845042 0.16666666666667 87.620 > 67 68 Sr 0.53746586940042 0.31890694845042 0.16666666666667 87.620 > 67 69 Sr 0.03746586940042 0.31890694845042 0.50000000000000 87.620 > 67 70 Sr 0.53746586940042 0.31890694845042 0.50000000000000 87.620 > 67 71 Sr 0.03746586940042 0.31890694845042 0.83333333333333 87.620 > 67 72 Sr 0.53746586940042 0.31890694845042 0.83333333333333 87.620 > 67 73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 73 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 73 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 73 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 79 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 79 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 79 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 79 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 79 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5729394 0.0000000 0.0000000 0.0000000 4.7581520 0.0000000 0.0000000 0.0000000 5.0110369 -------------------------- Born effective charges -------------------------- 1 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 2 O -1.9907300 0.0792613 0.0000000 0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 3 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 4 O -1.9907300 -0.0792613 0.0000000 -0.1457412 -2.2014701 0.0000000 0.0000000 0.0000000 -2.1531003 5 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 6 O -2.2616347 0.2451490 0.0000000 0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 7 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 8 O -2.2616347 -0.2451490 0.0000000 -0.2947949 -1.9059485 0.0000000 0.0000000 0.0000000 -2.5612379 9 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 10 Sr 2.8712878 -0.1920794 0.0000000 -0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 11 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 12 Sr 2.8712878 0.1920794 0.0000000 0.5700497 2.3678195 0.0000000 0.0000000 0.0000000 2.2030611 13 Pb 2.7621538 0.0751631 0.0000000 -0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 14 Pb 2.7621538 -0.0751631 0.0000000 0.0238236 3.4791984 0.0000000 0.0000000 0.0000000 5.0225542 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 14 ] 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: 313, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.679 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.964 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 14.869 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 23.671 0.000 0.000) 23.671 0.562 ( 27.229 0.000 0.000) 27.229 1.058 ( 50.661 0.000 0.000) 50.661 2.033 ( -1.645 0.000 0.000) 1.645 2.431 ( -1.166 0.000 0.000) 1.166 2.537 ( 5.371 0.000 0.000) 5.371 2.646 ( -14.297 0.000 0.000) 14.297 2.812 ( -5.336 0.000 0.000) 5.336 2.907 ( 1.333 0.000 0.000) 1.333 3.539 ( -2.994 0.000 0.000) 2.994 3.592 ( -3.786 0.000 0.000) 3.786 3.862 ( 19.085 0.000 0.000) 19.085 4.259 ( -13.782 0.000 0.000) 13.782 4.367 ( -7.668 0.000 0.000) 7.668 4.479 ( -2.899 0.000 0.000) 2.899 5.221 ( 13.612 0.000 0.000) 13.612 6.137 ( -9.229 0.000 0.000) 9.229 6.427 ( -0.941 0.000 0.000) 0.941 6.709 ( 0.264 0.000 0.000) 0.264 7.072 ( -5.081 0.000 0.000) 5.081 7.323 ( 0.471 0.000 0.000) 0.471 7.385 ( 1.463 0.000 0.000) 1.463 7.712 ( -1.739 0.000 0.000) 1.739 7.833 ( -1.422 0.000 0.000) 1.422 8.216 ( 4.071 0.000 0.000) 4.071 8.998 ( -4.695 0.000 0.000) 4.695 9.748 ( 6.418 0.000 0.000) 6.418 9.922 ( 0.076 0.000 0.000) 0.076 9.957 ( -0.790 0.000 0.000) 0.790 10.229 ( 3.754 0.000 0.000) 3.754 10.262 ( 1.455 0.000 0.000) 1.455 10.280 ( 0.744 0.000 0.000) 0.744 10.704 ( -0.877 0.000 0.000) 0.877 11.449 ( 4.551 0.000 0.000) 4.551 11.680 ( -19.610 0.000 0.000) 19.610 12.332 ( 4.399 0.000 0.000) 4.399 13.536 ( 5.239 0.000 0.000) 5.239 14.342 ( 8.596 0.000 0.000) 8.596 14.594 ( -1.892 0.000 0.000) 1.892 14.884 ( 1.366 0.000 0.000) 1.366 15.271 ( -1.516 0.000 0.000) 1.516 15.484 ( -2.958 0.000 0.000) 2.958 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 21.510 0.000 0.000) 21.510 1.097 ( 25.113 0.000 0.000) 25.113 1.974 ( 32.148 0.000 0.000) 32.148 1.977 ( -3.961 0.000 0.000) 3.961 2.406 ( -0.824 0.000 0.000) 0.824 2.484 ( 5.592 0.000 0.000) 5.592 2.688 ( 9.160 0.000 0.000) 9.160 2.689 ( -5.857 0.000 0.000) 5.857 2.950 ( 3.011 0.000 0.000) 3.011 3.450 ( -5.717 0.000 0.000) 5.717 3.481 ( -7.026 0.000 0.000) 7.026 3.762 ( -18.050 0.000 0.000) 18.050 4.107 ( -17.518 0.000 0.000) 17.518 4.406 ( -4.698 0.000 0.000) 4.698 4.473 ( 24.299 0.000 0.000) 24.299 5.479 ( 11.189 0.000 0.000) 11.189 5.937 ( -10.648 0.000 0.000) 10.648 6.328 ( -8.723 0.000 0.000) 8.723 6.725 ( 1.419 0.000 0.000) 1.419 6.955 ( -5.518 0.000 0.000) 5.518 7.342 ( 1.464 0.000 0.000) 1.464 7.426 ( 2.392 0.000 0.000) 2.392 7.664 ( -2.749 0.000 0.000) 2.749 7.790 ( -2.841 0.000 0.000) 2.841 8.320 ( 5.814 0.000 0.000) 5.814 8.877 ( -6.901 0.000 0.000) 6.901 9.923 ( 10.552 0.000 0.000) 10.552 9.924 ( 0.118 0.000 0.000) 0.118 9.941 ( -0.686 0.000 0.000) 0.686 10.296 ( 1.623 0.000 0.000) 1.623 10.299 ( 1.085 0.000 0.000) 1.085 10.326 ( 5.459 0.000 0.000) 5.459 10.672 ( -2.244 0.000 0.000) 2.244 11.263 ( -20.756 0.000 0.000) 20.756 11.577 ( 7.819 0.000 0.000) 7.819 12.311 ( -5.652 0.000 0.000) 5.652 13.723 ( 12.530 0.000 0.000) 12.530 14.538 ( -3.708 0.000 0.000) 3.708 14.555 ( 11.522 0.000 0.000) 11.522 14.921 ( 2.235 0.000 0.000) 2.235 15.226 ( -2.810 0.000 0.000) 2.810 15.393 ( -5.932 0.000 0.000) 5.932 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 17.649 0.000 0.000) 17.649 1.566 ( 20.525 0.000 0.000) 20.525 1.863 ( -7.567 0.000 0.000) 7.567 2.116 ( -6.039 0.000 0.000) 6.039 2.424 ( 3.235 0.000 0.000) 3.235 2.608 ( -1.637 0.000 0.000) 1.637 2.894 ( 10.744 0.000 0.000) 10.744 3.021 ( 28.293 0.000 0.000) 28.293 3.033 ( 5.179 0.000 0.000) 5.179 3.310 ( -8.313 0.000 0.000) 8.313 3.316 ( -8.392 0.000 0.000) 8.392 3.491 ( -1.844 0.000 0.000) 1.844 3.700 ( -21.045 0.000 0.000) 21.045 4.244 ( -12.604 0.000 0.000) 12.604 4.955 ( 22.182 0.000 0.000) 22.182 5.679 ( 8.969 0.000 0.000) 8.969 5.687 ( -14.180 0.000 0.000) 14.180 6.103 ( -12.232 0.000 0.000) 12.232 6.766 ( 2.397 0.000 0.000) 2.397 6.868 ( -3.091 0.000 0.000) 3.091 7.384 ( 2.635 0.000 0.000) 2.635 7.467 ( 0.865 0.000 0.000) 0.865 7.618 ( -0.962 0.000 0.000) 0.962 7.721 ( -3.762 0.000 0.000) 3.762 8.444 ( 6.401 0.000 0.000) 6.401 8.729 ( -7.449 0.000 0.000) 7.449 9.926 ( 0.094 0.000 0.000) 0.094 9.931 ( -0.284 0.000 0.000) 0.284 10.170 ( 13.686 0.000 0.000) 13.686 10.320 ( 0.848 0.000 0.000) 0.848 10.322 ( 0.881 0.000 0.000) 0.881 10.436 ( 4.998 0.000 0.000) 4.998 10.615 ( -3.292 0.000 0.000) 3.292 10.854 ( -19.135 0.000 0.000) 19.135 11.754 ( 9.304 0.000 0.000) 9.304 12.148 ( -9.444 0.000 0.000) 9.444 14.002 ( 13.861 0.000 0.000) 13.861 14.435 ( -6.703 0.000 0.000) 6.703 14.789 ( 11.121 0.000 0.000) 11.121 14.972 ( 2.542 0.000 0.000) 2.542 15.162 ( -3.324 0.000 0.000) 3.324 15.248 ( -8.013 0.000 0.000) 8.013 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -12.518 0.000 0.000) 12.518 1.660 ( 12.518 0.000 0.000) 12.518 1.913 ( -13.528 0.000 0.000) 13.528 1.913 ( 13.528 0.000 0.000) 13.528 2.535 ( -6.327 0.000 0.000) 6.327 2.535 ( 6.327 0.000 0.000) 6.327 3.112 ( -10.475 0.000 0.000) 10.475 3.112 ( 10.475 0.000 0.000) 10.475 3.160 ( -7.215 0.000 0.000) 7.215 3.160 ( 7.215 0.000 0.000) 7.215 3.326 ( -13.702 0.000 0.000) 13.702 3.326 ( 13.702 0.000 0.000) 13.702 3.859 ( -24.751 0.000 0.000) 24.751 3.859 ( 24.751 0.000 0.000) 24.751 5.362 ( -17.873 0.000 0.000) 17.873 5.362 ( 17.873 0.000 0.000) 17.873 5.869 ( -10.334 0.000 0.000) 10.334 5.869 ( 10.334 0.000 0.000) 10.334 6.816 ( -2.417 0.000 0.000) 2.417 6.816 ( 2.417 0.000 0.000) 2.417 7.442 ( -2.714 0.000 0.000) 2.714 7.442 ( 2.714 0.000 0.000) 2.714 7.646 ( -3.204 0.000 0.000) 3.204 7.646 ( 3.204 0.000 0.000) 3.204 8.581 ( -7.036 0.000 0.000) 7.036 8.581 ( 7.036 0.000 0.000) 7.036 9.928 ( -0.087 0.000 0.000) 0.087 9.928 ( 0.087 0.000 0.000) 0.087 10.330 ( -0.102 0.000 0.000) 0.102 10.330 ( 0.102 0.000 0.000) 0.102 10.466 ( -12.337 0.000 0.000) 12.337 10.466 ( 12.337 0.000 0.000) 12.337 10.552 ( -0.163 0.000 0.000) 0.163 10.552 ( 0.163 0.000 0.000) 0.163 11.949 ( -9.847 0.000 0.000) 9.847 11.949 ( 9.847 0.000 0.000) 9.847 14.257 ( -10.844 0.000 0.000) 10.844 14.257 ( 10.844 0.000 0.000) 10.844 14.977 ( -5.192 0.000 0.000) 5.192 14.977 ( 5.192 0.000 0.000) 5.192 15.120 ( -1.447 0.000 0.000) 1.447 15.120 ( 1.447 0.000 0.000) 1.447 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 26.462 0.000) 26.462 0.550 ( 0.000 27.185 0.000) 27.185 0.891 ( 0.000 44.173 0.000) 44.173 1.877 ( 0.000 -14.774 0.000) 14.774 2.123 ( 0.000 -26.148 0.000) 26.148 2.577 ( 0.000 7.226 0.000) 7.226 2.857 ( 0.000 -1.874 0.000) 1.874 2.874 ( 0.000 -1.971 0.000) 1.971 3.273 ( 0.000 23.661 0.000) 23.661 3.311 ( 0.000 -11.128 0.000) 11.128 3.575 ( 0.000 0.565 0.000) 0.565 3.625 ( 0.000 -0.581 0.000) 0.581 4.247 ( 0.000 -18.739 0.000) 18.739 4.416 ( 0.000 -6.629 0.000) 6.629 4.779 ( 0.000 7.361 0.000) 7.361 4.978 ( 0.000 6.489 0.000) 6.489 6.326 ( 0.000 5.680 0.000) 5.680 6.719 ( 0.000 -1.908 0.000) 1.908 6.749 ( 0.000 0.819 0.000) 0.819 7.076 ( 0.000 -4.935 0.000) 4.935 7.313 ( 0.000 -0.399 0.000) 0.399 7.355 ( 0.000 -1.319 0.000) 1.319 7.753 ( 0.000 2.055 0.000) 2.055 7.847 ( 0.000 -0.154 0.000) 0.154 8.886 ( 0.000 0.597 0.000) 0.597 8.944 ( 0.000 -0.679 0.000) 0.679 9.317 ( 0.000 4.582 0.000) 4.582 9.648 ( 0.000 -3.128 0.000) 3.128 9.922 ( 0.000 0.140 0.000) 0.140 9.959 ( 0.000 -0.686 0.000) 0.686 10.250 ( 0.000 0.401 0.000) 0.401 10.271 ( 0.000 -0.085 0.000) 0.085 11.339 ( 0.000 -3.585 0.000) 3.585 11.355 ( 0.000 -1.453 0.000) 1.453 11.844 ( 0.000 9.865 0.000) 9.865 11.973 ( 0.000 0.816 0.000) 0.816 12.350 ( 0.000 6.303 0.000) 6.303 13.352 ( 0.000 -13.547 0.000) 13.547 14.890 ( 0.000 2.026 0.000) 2.026 15.161 ( 0.000 -7.202 0.000) 7.202 15.560 ( 0.000 9.878 0.000) 9.878 15.948 ( 0.000 -2.407 0.000) 2.407 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 19.335 15.562 0.000) 24.819 0.727 ( 14.966 19.601 0.000) 24.662 1.392 ( 37.801 28.376 0.000) 47.266 1.884 ( 0.433 -13.213 0.000) 13.220 2.085 ( -2.109 -24.131 0.000) 24.223 2.615 ( 3.821 6.225 0.000) 7.304 2.820 ( -6.036 6.210 0.000) 8.660 2.888 ( 1.429 -1.870 0.000) 2.354 2.957 ( -10.651 10.797 0.000) 15.167 3.544 ( -3.069 0.488 0.000) 3.108 3.587 ( -3.710 -0.504 0.000) 3.744 3.674 ( 16.067 -7.367 0.000) 17.675 3.958 ( -12.806 -16.836 0.000) 21.153 4.540 ( -10.176 -2.515 0.000) 10.482 4.739 ( -4.561 13.131 0.000) 13.901 5.045 ( 17.822 -2.962 0.000) 18.067 6.282 ( -7.907 7.071 0.000) 10.607 6.488 ( -10.504 3.068 0.000) 10.943 6.734 ( -0.701 2.232 0.000) 2.339 7.029 ( -4.548 -4.389 0.000) 6.320 7.320 ( 0.671 -0.204 0.000) 0.701 7.371 ( 1.470 -1.324 0.000) 1.978 7.733 ( -1.851 1.959 0.000) 2.696 7.831 ( -1.579 -0.308 0.000) 1.609 8.433 ( -6.938 16.090 0.000) 17.522 8.986 ( -4.770 -1.800 0.000) 5.098 9.714 ( 7.887 -3.498 0.000) 8.628 9.871 ( 18.092 -16.893 0.000) 24.753 9.923 ( 0.058 0.114 0.000) 0.128 9.952 ( -0.622 -0.504 0.000) 0.801 10.265 ( 1.331 0.264 0.000) 1.357 10.279 ( 0.777 -0.046 0.000) 0.779 11.020 ( -9.031 16.173 0.000) 18.524 11.411 ( -0.180 -2.778 0.000) 2.784 11.764 ( -12.725 7.116 0.000) 14.580 12.412 ( 3.636 7.918 0.000) 8.713 12.834 ( 44.748 -48.794 0.000) 66.206 13.463 ( 11.549 -15.851 0.000) 19.612 14.901 ( 1.137 2.026 0.000) 2.323 15.154 ( -0.723 -5.996 0.000) 6.039 15.453 ( -11.353 17.343 0.000) 20.729 15.685 ( -12.307 11.585 0.000) 16.902 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 17.574 11.112 0.000) 20.792 1.173 ( 23.510 7.697 0.000) 24.738 1.880 ( -1.281 -9.200 0.000) 9.289 2.074 ( 8.984 -8.166 0.000) 12.141 2.181 ( 25.436 4.963 0.000) 25.916 2.653 ( -2.397 10.948 0.000) 11.207 2.731 ( 7.490 3.807 0.000) 8.402 2.844 ( -3.983 10.139 0.000) 10.893 2.934 ( 3.200 -1.566 0.000) 3.563 3.452 ( -5.838 0.285 0.000) 5.845 3.478 ( -6.898 -0.295 0.000) 6.904 3.574 ( -16.326 -14.606 0.000) 21.906 4.055 ( 10.503 -16.108 0.000) 19.230 4.165 ( -19.804 -0.467 0.000) 19.810 4.814 ( 8.609 16.846 0.000) 18.919 5.383 ( 14.198 -6.493 0.000) 15.612 6.043 ( -13.346 7.696 0.000) 15.406 6.313 ( -9.916 -1.474 0.000) 10.025 6.729 ( 0.398 0.651 0.000) 0.763 6.925 ( -4.784 -3.005 0.000) 5.649 7.343 ( 1.712 0.232 0.000) 1.727 7.412 ( 2.434 -1.324 0.000) 2.771 7.682 ( -2.944 1.709 0.000) 3.404 7.784 ( -3.022 -0.633 0.000) 3.087 8.422 ( 2.847 9.197 0.000) 9.627 8.865 ( -6.574 -1.560 0.000) 6.757 9.906 ( 11.047 -1.433 0.000) 11.140 9.924 ( 0.107 0.070 0.000) 0.128 9.939 ( -0.540 -0.191 0.000) 0.573 10.131 ( 10.140 -12.054 0.000) 15.752 10.296 ( 1.504 0.045 0.000) 1.505 10.300 ( 1.140 0.027 0.000) 1.140 10.870 ( -7.480 12.343 0.000) 14.433 11.223 ( -17.191 -3.010 0.000) 17.452 11.705 ( 6.199 11.771 0.000) 13.304 12.385 ( -5.103 6.421 0.000) 8.202 13.438 ( 20.000 -29.004 0.000) 35.231 13.771 ( 15.084 -27.592 0.000) 31.446 14.937 ( 2.309 1.856 0.000) 2.963 15.134 ( -1.007 -2.716 0.000) 2.897 15.228 ( -8.386 20.882 0.000) 22.503 15.517 ( -7.009 7.835 0.000) 10.512 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 14.958 5.261 0.000) 15.857 1.631 ( 20.833 6.235 0.000) 21.746 1.818 ( -5.095 -4.388 0.000) 6.724 2.236 ( -1.677 9.902 0.000) 10.043 2.278 ( 3.950 -9.643 0.000) 10.420 2.727 ( -5.542 8.926 0.000) 10.506 2.910 ( 9.751 1.525 0.000) 9.870 3.021 ( 5.395 -1.105 0.000) 5.507 3.038 ( 19.216 1.127 0.000) 19.249 3.292 ( -7.026 -15.437 0.000) 16.961 3.311 ( -8.277 0.076 0.000) 8.277 3.316 ( -8.352 -0.040 0.000) 8.352 3.790 ( -11.401 4.908 0.000) 12.412 4.150 ( -3.539 -7.822 0.000) 8.585 5.070 ( 15.772 9.872 0.000) 18.606 5.623 ( 9.370 -5.351 0.000) 10.791 5.752 ( -14.764 5.864 0.000) 15.886 6.074 ( -12.654 -2.806 0.000) 12.961 6.752 ( 1.847 -0.851 0.000) 2.034 6.849 ( -2.896 -1.987 0.000) 3.512 7.389 ( 2.733 0.558 0.000) 2.789 7.457 ( 1.442 -0.934 0.000) 1.718 7.629 ( -1.668 1.048 0.000) 1.970 7.713 ( -3.788 -0.820 0.000) 3.876 8.502 ( 4.712 5.282 0.000) 7.078 8.731 ( -6.441 -0.079 0.000) 6.442 9.927 ( 0.102 0.054 0.000) 0.116 9.931 ( -0.226 0.004 0.000) 0.226 10.159 ( 13.778 -0.868 0.000) 13.805 10.320 ( 0.853 0.013 0.000) 0.853 10.322 ( 0.851 -0.018 0.000) 0.851 10.328 ( 9.623 -7.234 0.000) 12.039 10.697 ( -9.580 5.052 0.000) 10.831 10.849 ( -18.197 -0.599 0.000) 18.207 11.878 ( 9.450 12.015 0.000) 15.286 12.244 ( -8.144 8.618 0.000) 11.858 13.774 ( 13.587 -20.772 0.000) 24.821 13.983 ( 5.162 -27.006 0.000) 27.495 14.987 ( 2.351 1.521 0.000) 2.800 15.098 ( -3.657 1.237 0.000) 3.861 15.146 ( 1.447 14.415 0.000) 14.487 15.370 ( -7.368 7.579 0.000) 10.570 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -10.123 0.356 0.000) 10.129 1.664 ( 10.123 0.356 0.000) 10.129 1.998 ( -15.023 7.584 0.000) 16.829 1.998 ( 15.023 7.584 0.000) 16.829 2.532 ( -12.986 0.077 0.000) 12.986 2.532 ( 12.986 0.077 0.000) 12.986 3.109 ( -7.802 -0.259 0.000) 7.807 3.109 ( 7.802 -0.259 0.000) 7.807 3.162 ( -5.154 0.191 0.000) 5.157 3.162 ( 5.154 0.191 0.000) 5.157 3.195 ( -7.606 -11.029 0.000) 13.397 3.195 ( 7.606 -11.029 0.000) 13.397 3.924 ( -16.690 4.688 0.000) 17.336 3.924 ( 16.690 4.688 0.000) 17.336 5.411 ( -16.973 4.425 0.000) 17.540 5.411 ( 16.973 4.425 0.000) 17.540 5.834 ( -10.588 -3.163 0.000) 11.050 5.834 ( 10.588 -3.163 0.000) 11.050 6.797 ( -2.385 -1.637 0.000) 2.893 6.797 ( 2.385 -1.637 0.000) 2.893 7.446 ( -2.349 0.319 0.000) 2.371 7.446 ( 2.349 0.319 0.000) 2.371 7.642 ( -2.747 -0.420 0.000) 2.779 7.642 ( 2.747 -0.420 0.000) 2.779 8.608 ( -5.653 2.350 0.000) 6.122 8.608 ( 5.653 2.350 0.000) 6.122 9.929 ( -0.093 0.058 0.000) 0.110 9.929 ( 0.093 0.058 0.000) 0.110 10.330 ( -0.086 -0.013 0.000) 0.087 10.330 ( 0.086 -0.013 0.000) 0.087 10.457 ( -14.581 -1.126 0.000) 14.625 10.457 ( 14.581 -1.126 0.000) 14.625 10.536 ( -11.381 -1.022 0.000) 11.427 10.536 ( 11.381 -1.022 0.000) 11.427 12.068 ( -9.086 11.015 0.000) 14.279 12.068 ( 9.086 11.015 0.000) 14.279 13.976 ( -5.641 -22.321 0.000) 23.023 13.976 ( 5.641 -22.321 0.000) 23.023 15.034 ( -2.559 1.976 0.000) 3.233 15.034 ( 2.559 1.976 0.000) 3.233 15.229 ( -6.077 9.559 0.000) 11.327 15.229 ( 6.077 9.559 0.000) 11.327 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 26.924 0.000) 26.924 1.067 ( 0.000 24.681 0.000) 24.681 1.520 ( 0.000 -20.745 0.000) 20.745 1.589 ( 0.000 -27.197 0.000) 27.197 1.736 ( 0.000 40.544 0.000) 40.544 2.472 ( 0.000 -32.360 0.000) 32.360 2.713 ( 0.000 6.144 0.000) 6.144 2.815 ( 0.000 -4.039 0.000) 4.039 3.403 ( 0.000 16.068 0.000) 16.068 3.590 ( 0.000 0.922 0.000) 0.922 3.609 ( 0.000 -0.932 0.000) 0.932 3.676 ( 0.000 6.756 0.000) 6.756 3.894 ( 0.000 -6.154 0.000) 6.154 4.168 ( 0.000 -16.746 0.000) 16.746 4.950 ( 0.000 7.686 0.000) 7.686 5.039 ( 0.000 -0.800 0.000) 0.800 6.466 ( 0.000 7.842 0.000) 7.842 6.616 ( 0.000 -6.848 0.000) 6.848 6.826 ( 0.000 5.585 0.000) 5.585 6.954 ( 0.000 -6.838 0.000) 6.838 7.311 ( 0.000 0.294 0.000) 0.294 7.327 ( 0.000 -1.282 0.000) 1.282 7.799 ( 0.000 2.310 0.000) 2.310 7.835 ( 0.000 -1.209 0.000) 1.209 8.903 ( 0.000 1.069 0.000) 1.069 8.925 ( 0.000 -1.138 0.000) 1.138 9.432 ( 0.000 6.576 0.000) 6.576 9.558 ( 0.000 -5.715 0.000) 5.715 9.928 ( 0.000 0.532 0.000) 0.532 9.943 ( 0.000 -0.863 0.000) 0.863 10.260 ( 0.000 0.478 0.000) 0.478 10.267 ( 0.000 -0.288 0.000) 0.288 11.302 ( 0.000 -0.174 0.000) 0.174 11.321 ( 0.000 -1.686 0.000) 1.686 11.976 ( 0.000 2.861 0.000) 2.861 11.990 ( 0.000 0.593 0.000) 0.593 12.597 ( 0.000 18.142 0.000) 18.142 13.000 ( 0.000 -20.636 0.000) 20.636 14.948 ( 0.000 3.744 0.000) 3.744 15.037 ( 0.000 -5.317 0.000) 5.317 15.742 ( 0.000 8.073 0.000) 8.073 15.874 ( 0.000 -5.157 0.000) 5.157 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 8.224 22.798 0.000) 24.236 1.151 ( 7.656 21.720 0.000) 23.030 1.559 ( 3.525 -18.968 0.000) 19.293 1.591 ( 1.941 -24.973 0.000) 25.048 2.025 ( 24.218 33.130 0.000) 41.038 2.627 ( 12.618 -24.849 0.000) 27.869 2.738 ( 2.436 5.658 0.000) 6.160 2.832 ( 1.752 -3.802 0.000) 4.186 3.216 ( -13.833 16.860 0.000) 21.809 3.557 ( -3.267 0.798 0.000) 3.363 3.566 ( -13.543 -16.265 0.000) 21.165 3.573 ( -3.512 -0.808 0.000) 3.603 3.850 ( 1.600 15.171 0.000) 15.255 4.235 ( -2.303 -20.570 0.000) 20.698 4.974 ( 3.169 9.211 0.000) 9.741 5.072 ( 5.635 -0.384 0.000) 5.648 6.401 ( -6.966 5.394 0.000) 8.810 6.488 ( -10.208 -2.779 0.000) 10.580 6.800 ( -1.986 4.691 0.000) 5.094 6.915 ( -3.352 -6.412 0.000) 7.236 7.322 ( 1.069 0.516 0.000) 1.187 7.341 ( 1.373 -1.401 0.000) 1.961 7.778 ( -1.973 2.307 0.000) 3.035 7.816 ( -1.862 -1.346 0.000) 2.298 8.717 ( -7.748 11.811 0.000) 14.125 8.902 ( -5.036 -6.886 0.000) 8.531 9.647 ( 12.819 -0.831 0.000) 12.846 9.691 ( 11.903 -4.532 0.000) 12.737 9.928 ( -0.040 0.435 0.000) 0.437 9.939 ( -0.287 -0.675 0.000) 0.733 10.271 ( 1.083 0.331 0.000) 1.133 10.277 ( 0.884 -0.198 0.000) 0.906 11.244 ( -4.917 7.407 0.000) 8.890 11.349 ( -2.728 -3.780 0.000) 4.662 11.932 ( -1.601 9.932 0.000) 10.060 12.195 ( 16.001 -18.362 0.000) 24.356 12.702 ( 10.723 17.707 0.000) 20.701 13.097 ( 9.076 -20.520 0.000) 22.437 14.958 ( 0.973 3.606 0.000) 3.735 15.042 ( 0.462 -4.938 0.000) 4.960 15.678 ( -6.054 7.796 0.000) 9.871 15.773 ( -8.093 -1.314 0.000) 8.199 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 10.460 15.256 0.000) 18.498 1.395 ( 18.232 14.287 0.000) 23.163 1.642 ( 4.036 -14.128 0.000) 14.693 1.724 ( 11.450 -18.399 0.000) 21.671 2.538 ( 20.060 20.963 0.000) 29.015 2.815 ( 5.209 4.200 0.000) 6.691 2.842 ( 4.983 -2.172 0.000) 5.436 2.888 ( 3.849 -3.073 0.000) 4.925 2.975 ( -5.240 9.033 0.000) 10.443 3.255 ( -15.952 -16.190 0.000) 22.729 3.460 ( -6.160 0.467 0.000) 6.178 3.470 ( -6.565 -0.473 0.000) 6.582 3.889 ( 2.842 1.340 0.000) 3.142 4.041 ( -12.992 -10.201 0.000) 16.518 5.095 ( 8.182 11.298 0.000) 13.950 5.265 ( 11.445 -6.291 0.000) 13.060 6.178 ( -13.721 5.614 0.000) 14.825 6.266 ( -12.129 -3.348 0.000) 12.583 6.765 ( -1.260 3.104 0.000) 3.350 6.845 ( -3.019 -4.598 0.000) 5.501 7.355 ( 2.162 0.956 0.000) 2.364 7.381 ( 2.425 -1.595 0.000) 2.903 7.724 ( -3.256 2.207 0.000) 3.933 7.762 ( -3.288 -1.577 0.000) 3.647 8.628 ( -1.769 10.284 0.000) 10.435 8.794 ( -4.974 -6.019 0.000) 7.808 9.890 ( 12.213 0.566 0.000) 12.226 9.928 ( 0.016 0.252 0.000) 0.252 9.934 ( -0.230 -0.327 0.000) 0.400 9.951 ( 12.530 -5.903 0.000) 13.851 10.298 ( 1.331 0.100 0.000) 1.335 10.299 ( 1.209 -0.054 0.000) 1.210 11.061 ( -12.333 6.862 0.000) 14.114 11.159 ( -14.640 -3.624 0.000) 15.082 12.016 ( 8.176 19.026 0.000) 20.708 12.389 ( 2.835 -13.056 0.000) 13.360 13.044 ( 19.962 0.918 0.000) 19.983 13.324 ( 11.805 -20.415 0.000) 23.583 14.986 ( 1.710 3.021 0.000) 3.471 15.054 ( 0.574 -3.807 0.000) 3.850 15.525 ( -7.810 8.986 0.000) 11.906 15.608 ( -7.683 0.424 0.000) 7.695 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.490 7.860 0.000) 11.570 1.698 ( 1.029 -7.333 0.000) 7.405 1.797 ( 20.069 10.197 0.000) 22.511 2.026 ( 16.438 -12.583 0.000) 20.701 2.551 ( -9.058 18.539 0.000) 20.634 2.909 ( -13.311 4.909 0.000) 14.187 2.938 ( -3.869 -14.808 0.000) 15.305 2.948 ( 7.776 2.187 0.000) 8.078 2.991 ( 6.195 -1.938 0.000) 6.491 3.037 ( 3.863 -3.517 0.000) 5.224 3.313 ( -8.237 0.103 0.000) 8.238 3.315 ( -8.272 -0.081 0.000) 8.273 3.873 ( 0.675 4.360 0.000) 4.412 3.990 ( 4.999 -7.465 0.000) 8.984 5.284 ( 10.161 10.799 0.000) 14.828 5.480 ( 8.893 -8.745 0.000) 12.473 5.883 ( -14.241 6.549 0.000) 15.675 5.997 ( -13.457 -4.871 0.000) 14.311 6.753 ( 0.104 1.196 0.000) 1.201 6.797 ( -1.850 -2.866 0.000) 3.411 7.406 ( 2.774 1.155 0.000) 3.005 7.433 ( 2.355 -1.405 0.000) 2.742 7.657 ( -2.885 1.665 0.000) 3.331 7.689 ( -3.619 -1.508 0.000) 3.920 8.621 ( 0.758 5.817 0.000) 5.866 8.708 ( -3.489 -2.678 0.000) 4.398 9.928 ( 0.062 0.119 0.000) 0.134 9.931 ( -0.077 -0.083 0.000) 0.114 10.154 ( 13.849 0.874 0.000) 13.877 10.207 ( 12.935 -4.549 0.000) 13.711 10.320 ( 0.839 0.046 0.000) 0.840 10.321 ( 0.824 -0.049 0.000) 0.825 10.778 ( -14.893 3.184 0.000) 15.230 10.827 ( -16.911 -1.770 0.000) 17.004 12.184 ( 7.439 16.649 0.000) 18.235 12.383 ( -2.393 0.542 0.000) 2.454 13.396 ( 13.444 -9.466 0.000) 16.442 13.524 ( 6.787 -18.369 0.000) 19.582 15.023 ( 1.815 1.991 0.000) 2.694 15.062 ( 0.160 -1.963 0.000) 1.969 15.400 ( -3.870 8.125 0.000) 8.999 15.467 ( -5.984 1.203 0.000) 6.104 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -3.864 0.220 0.000) 3.870 1.671 ( 3.864 0.220 0.000) 3.870 2.144 ( -10.930 5.001 0.000) 12.020 2.144 ( 10.930 5.001 0.000) 12.020 2.558 ( -14.755 2.357 0.000) 14.942 2.558 ( 14.755 2.357 0.000) 14.942 2.976 ( -5.050 -8.507 0.000) 9.893 2.976 ( 5.050 -8.507 0.000) 9.893 3.104 ( -2.694 -0.144 0.000) 2.698 3.104 ( 2.694 -0.144 0.000) 2.698 3.165 ( -1.675 0.101 0.000) 1.678 3.165 ( 1.675 0.101 0.000) 1.678 3.995 ( -5.526 1.957 0.000) 5.862 3.995 ( 5.526 1.957 0.000) 5.862 5.500 ( -9.658 3.374 0.000) 10.230 5.500 ( 9.658 3.374 0.000) 10.230 5.768 ( -7.065 -2.604 0.000) 7.530 5.768 ( 7.065 -2.604 0.000) 7.530 6.766 ( -1.142 -1.025 0.000) 1.534 6.766 ( 1.142 -1.025 0.000) 1.534 7.452 ( -1.007 0.215 0.000) 1.030 7.452 ( 1.007 0.215 0.000) 1.030 7.634 ( -1.160 -0.277 0.000) 1.193 7.634 ( 1.160 -0.277 0.000) 1.193 8.651 ( -2.143 1.431 0.000) 2.577 8.651 ( 2.143 1.431 0.000) 2.577 9.930 ( -0.046 0.036 0.000) 0.059 9.930 ( 0.046 0.036 0.000) 0.059 10.330 ( -0.035 -0.008 0.000) 0.036 10.330 ( 0.035 -0.008 0.000) 0.036 10.427 ( -5.609 -1.198 0.000) 5.735 10.427 ( 5.609 -1.198 0.000) 5.735 10.527 ( -5.014 -0.035 0.000) 5.015 10.527 ( 5.014 -0.035 0.000) 5.015 12.308 ( -4.860 9.789 0.000) 10.929 12.308 ( 4.860 9.789 0.000) 10.929 13.566 ( -3.045 -14.466 0.000) 14.784 13.566 ( 3.045 -14.466 0.000) 14.784 15.054 ( -1.072 0.425 0.000) 1.153 15.054 ( 1.072 0.425 0.000) 1.153 15.381 ( -1.989 4.297 0.000) 4.735 15.381 ( 1.989 4.297 0.000) 4.735 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 0.000 22.168) 22.168 0.556 ( 0.000 0.000 26.926) 26.926 1.031 ( 0.000 0.000 49.799) 49.799 2.199 ( 0.000 0.000 13.634) 13.634 2.420 ( 0.000 0.000 -1.683) 1.683 2.517 ( 0.000 0.000 2.619) 2.619 2.862 ( 0.000 0.000 2.504) 2.504 2.968 ( 0.000 0.000 5.065) 5.065 3.188 ( 0.000 0.000 17.677) 17.677 3.614 ( 0.000 0.000 12.497) 12.497 3.691 ( 0.000 0.000 11.244) 11.244 3.693 ( 0.000 0.000 5.967) 5.967 4.471 ( 0.000 0.000 -1.427) 1.427 4.479 ( 0.000 0.000 -3.163) 3.163 4.479 ( 0.000 0.000 4.113) 4.113 4.675 ( 0.000 0.000 -4.484) 4.484 6.205 ( 0.000 0.000 -5.620) 5.620 6.364 ( 0.000 0.000 -3.985) 3.985 6.732 ( 0.000 0.000 2.401) 2.401 7.127 ( 0.000 0.000 0.385) 0.385 7.408 ( 0.000 0.000 8.043) 8.043 7.410 ( 0.000 0.000 3.538) 3.538 7.984 ( 0.000 0.000 12.037) 12.037 8.122 ( 0.000 0.000 -4.423) 4.423 8.694 ( 0.000 0.000 -21.964) 21.964 9.342 ( 0.000 0.000 7.411) 7.411 9.658 ( 0.000 0.000 -1.835) 1.835 9.967 ( 0.000 0.000 2.961) 2.961 9.998 ( 0.000 0.000 2.487) 2.487 10.029 ( 0.000 0.000 3.921) 3.921 10.198 ( 0.000 0.000 1.416) 1.416 10.252 ( 0.000 0.000 0.537) 0.537 11.444 ( 0.000 0.000 4.195) 4.195 11.550 ( 0.000 0.000 15.883) 15.883 11.922 ( 0.000 0.000 -4.230) 4.230 12.111 ( 0.000 0.000 -8.731) 8.731 13.411 ( 0.000 0.000 -7.726) 7.726 14.021 ( 0.000 0.000 -2.267) 2.267 14.244 ( 0.000 0.000 -0.164) 0.164 14.820 ( 0.000 0.000 -4.869) 4.869 15.228 ( 0.000 0.000 -5.574) 5.574 15.354 ( 0.000 0.000 -4.954) 4.954 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.12 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 18.185 0.000 17.840) 25.474 0.858 ( 22.677 0.000 18.691) 29.387 1.346 ( 32.135 0.000 31.293) 44.854 2.167 ( -2.522 0.000 11.154) 11.435 2.437 ( 1.015 0.000 2.132) 2.361 2.557 ( 3.026 0.000 1.113) 3.224 2.664 ( -13.853 0.000 1.548) 13.940 2.941 ( -1.214 0.000 12.156) 12.216 3.144 ( -1.801 0.000 19.434) 19.517 3.648 ( -3.776 0.000 7.649) 8.530 3.667 ( -2.917 0.000 9.504) 9.942 3.866 ( 12.843 0.000 4.065) 13.471 4.209 ( -7.740 0.000 -1.884) 7.966 4.361 ( -9.167 0.000 -1.335) 9.264 4.489 ( -1.545 0.000 2.124) 2.627 5.054 ( 19.899 0.000 -8.135) 21.497 6.091 ( -8.570 0.000 -4.413) 9.640 6.374 ( -1.487 0.000 -4.956) 5.175 6.724 ( -0.482 0.000 1.968) 2.026 7.072 ( -4.841 0.000 0.446) 4.862 7.428 ( 1.784 0.000 9.314) 9.483 7.456 ( 4.029 0.000 4.468) 6.017 7.957 ( -1.953 0.000 10.548) 10.727 8.173 ( 4.053 0.000 -3.347) 5.256 8.525 ( -19.340 0.000 18.283) 26.615 8.914 ( -18.763 0.000 7.748) 20.299 9.740 ( 7.342 0.000 -0.784) 7.384 9.783 ( -0.580 0.000 -3.836) 3.880 10.001 ( 0.030 0.000 3.766) 3.766 10.210 ( 1.529 0.000 -0.999) 1.826 10.234 ( 4.744 0.000 -0.212) 4.749 10.285 ( 2.920 0.000 1.735) 3.397 11.115 ( -15.467 0.000 20.699) 25.839 11.592 ( 3.975 0.000 14.389) 14.928 11.636 ( -19.102 0.000 -4.392) 19.600 12.253 ( 4.957 0.000 -7.606) 9.078 13.463 ( 5.749 0.000 -6.996) 9.055 14.310 ( 11.179 0.000 -17.531) 20.792 14.327 ( 7.552 0.000 -1.330) 7.668 14.828 ( 1.001 0.000 -5.129) 5.226 15.212 ( -1.581 0.000 -5.641) 5.859 15.363 ( -0.709 0.000 -7.671) 7.703 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.25 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 20.710 0.000 8.469) 22.375 1.240 ( 17.120 0.000 22.144) 27.990 2.065 ( 26.481 0.000 10.290) 28.410 2.118 ( -2.172 0.000 11.441) 11.645 2.442 ( -0.374 0.000 5.279) 5.292 2.483 ( 1.989 0.000 0.461) 2.041 2.613 ( 3.374 0.000 0.208) 3.380 2.962 ( 4.420 0.000 17.517) 18.066 3.150 ( 2.513 0.000 18.140) 18.314 3.544 ( -6.356 0.000 6.796) 9.305 3.577 ( -5.736 0.000 10.833) 12.258 3.710 ( -16.456 0.000 -3.052) 16.737 4.089 ( -17.502 0.000 -1.898) 17.605 4.429 ( -4.538 0.000 2.645) 5.252 4.492 ( 23.282 0.000 2.165) 23.382 5.384 ( 12.996 0.000 -7.353) 14.931 5.900 ( -10.333 0.000 -3.530) 10.920 6.267 ( -8.841 0.000 -5.403) 10.362 6.726 ( 0.908 0.000 0.912) 1.287 6.963 ( -5.193 0.000 0.889) 5.269 7.477 ( 3.142 0.000 11.903) 12.311 7.554 ( 5.261 0.000 7.175) 8.897 7.914 ( -2.383 0.000 11.301) 11.550 8.127 ( -15.897 0.000 37.532) 40.760 8.265 ( 4.890 0.000 -4.665) 6.758 8.716 ( -6.228 0.000 -14.095) 15.410 9.827 ( 3.640 0.000 -5.168) 6.321 9.931 ( 10.985 0.000 0.479) 10.995 9.995 ( -0.497 0.000 4.926) 4.951 10.253 ( 2.243 0.000 -2.797) 3.585 10.287 ( 1.407 0.000 -0.070) 1.408 10.363 ( 4.606 0.000 2.356) 5.173 10.880 ( -9.274 0.000 14.622) 17.315 11.233 ( -19.944 0.000 -2.936) 20.159 11.696 ( 5.935 0.000 11.228) 12.700 12.253 ( -4.218 0.000 -5.672) 7.069 13.654 ( 12.425 0.000 -6.672) 14.103 14.399 ( -0.335 0.000 -12.343) 12.348 14.518 ( 10.550 0.000 -3.349) 11.069 14.862 ( 2.254 0.000 -5.611) 6.047 15.166 ( -2.875 0.000 -5.777) 6.452 15.303 ( -5.016 0.000 -7.629) 9.130 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.38 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 14.243 0.000 17.516) 22.576 1.570 ( 16.013 0.000 1.828) 16.117 2.068 ( -3.320 0.000 17.239) 17.556 2.141 ( -6.329 0.000 3.768) 7.366 2.454 ( 2.723 0.000 3.824) 4.694 2.600 ( 2.023 0.000 0.674) 2.132 2.954 ( 19.908 0.000 1.736) 19.984 3.118 ( 9.200 0.000 14.762) 17.394 3.247 ( 3.359 0.000 15.900) 16.251 3.398 ( -7.741 0.000 7.359) 10.681 3.439 ( -7.668 0.000 11.926) 14.178 3.490 ( 5.014 0.000 1.203) 5.156 3.687 ( -20.702 0.000 -1.249) 20.739 4.272 ( -12.022 0.000 3.086) 12.412 4.953 ( 21.258 0.000 0.014) 21.258 5.607 ( 9.702 0.000 -6.128) 11.476 5.657 ( -13.766 0.000 -2.847) 14.057 6.044 ( -12.131 0.000 -5.184) 13.193 6.761 ( 2.388 0.000 0.286) 2.405 6.876 ( -3.374 0.000 0.884) 3.487 7.560 ( 5.074 0.000 14.873) 15.714 7.661 ( 5.122 0.000 9.105) 10.447 7.855 ( -3.502 0.000 13.156) 13.615 7.870 ( -10.069 0.000 29.354) 31.033 8.369 ( 5.267 0.000 -6.905) 8.685 8.596 ( -5.790 0.000 -12.153) 13.462 9.903 ( 3.427 0.000 -1.684) 3.819 9.983 ( -0.787 0.000 4.543) 4.611 10.178 ( 13.225 0.000 0.605) 13.239 10.290 ( 1.294 0.000 -2.623) 2.925 10.305 ( 0.478 0.000 -0.773) 0.908 10.461 ( 4.713 0.000 2.083) 5.153 10.715 ( -7.018 0.000 8.427) 10.967 10.843 ( -18.010 0.000 -0.974) 18.037 11.826 ( 6.808 0.000 6.769) 9.600 12.125 ( -7.463 0.000 -2.262) 7.798 13.927 ( 13.522 0.000 -7.166) 15.303 14.336 ( -5.584 0.000 -9.376) 10.913 14.736 ( 10.485 0.000 -4.940) 11.591 14.914 ( 2.613 0.000 -5.628) 6.205 15.100 ( -3.394 0.000 -5.894) 6.802 15.171 ( -7.567 0.000 -7.019) 10.321 ======================= Grid point 49 (20/120) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -1.177 0.000 5.309) 5.438 1.758 ( 1.177 0.000 5.309) 5.438 2.019 ( -2.257 0.000 13.674) 13.859 2.019 ( 2.257 0.000 13.674) 13.859 2.561 ( -5.980 0.000 2.796) 6.601 2.561 ( 5.980 0.000 2.796) 6.601 3.234 ( -9.314 0.000 9.995) 13.662 3.234 ( 9.314 0.000 9.995) 13.662 3.283 ( -6.327 0.000 10.083) 11.904 3.283 ( 6.327 0.000 10.083) 11.904 3.316 ( -13.583 0.000 1.240) 13.639 3.316 ( 13.583 0.000 1.240) 13.639 3.909 ( -23.389 0.000 5.258) 23.973 3.909 ( 23.389 0.000 5.258) 23.973 5.343 ( -17.162 0.000 -1.688) 17.245 5.343 ( 17.162 0.000 -1.688) 17.245 5.808 ( -10.635 0.000 -5.317) 11.890 5.808 ( 10.635 0.000 -5.317) 11.890 6.816 ( -2.806 0.000 0.413) 2.836 6.816 ( 2.806 0.000 0.413) 2.836 7.682 ( -6.454 0.000 16.065) 17.313 7.682 ( 6.454 0.000 16.065) 17.313 7.775 ( -3.738 0.000 16.904) 17.312 7.775 ( 3.738 0.000 16.904) 17.312 8.480 ( -5.640 0.000 -9.290) 10.868 8.480 ( 5.640 0.000 -9.290) 10.868 9.958 ( -1.862 0.000 2.361) 3.007 9.958 ( 1.862 0.000 2.361) 3.007 10.306 ( -0.352 0.000 -1.801) 1.835 10.306 ( 0.352 0.000 -1.801) 1.835 10.457 ( -12.287 0.000 -0.841) 12.316 10.457 ( 12.287 0.000 -0.841) 12.316 10.604 ( -1.954 0.000 4.852) 5.230 10.604 ( 1.954 0.000 4.852) 5.230 11.971 ( -7.461 0.000 2.029) 7.732 11.971 ( 7.461 0.000 2.029) 7.732 14.174 ( -10.298 0.000 -7.997) 13.038 14.174 ( 10.298 0.000 -7.997) 13.038 14.917 ( -5.351 0.000 -5.634) 7.771 14.917 ( 5.351 0.000 -5.634) 7.771 15.053 ( -0.817 0.000 -6.288) 6.341 15.053 ( 0.817 0.000 -6.288) 6.341 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 20.574 13.596) 24.661 0.718 ( 0.000 17.405 17.249) 24.504 1.385 ( 0.000 28.870 37.698) 47.483 1.993 ( 0.000 -16.666 9.765) 19.316 2.123 ( 0.000 -22.971 0.934) 22.990 2.623 ( 0.000 6.169 5.013) 7.949 2.956 ( 0.000 7.269 6.115) 9.499 3.100 ( 0.000 -4.573 18.278) 18.841 3.267 ( 0.000 20.151 1.827) 20.234 3.398 ( 0.000 -15.454 10.934) 18.931 3.704 ( 0.000 -0.294 7.636) 7.641 3.707 ( 0.000 1.711 11.579) 11.705 4.192 ( 0.000 -16.689 -3.560) 17.065 4.426 ( 0.000 -7.963 1.012) 8.027 4.751 ( 0.000 7.898 -2.320) 8.232 4.787 ( 0.000 13.875 -8.397) 16.218 6.257 ( 0.000 4.727 -6.326) 7.897 6.422 ( 0.000 3.579 -9.958) 10.582 6.763 ( 0.000 2.937 2.193) 3.665 7.073 ( 0.000 -4.919 0.426) 4.937 7.418 ( 0.000 0.546 5.059) 5.088 7.418 ( 0.000 0.830 7.917) 7.961 7.980 ( 0.000 -0.325 11.314) 11.319 8.070 ( 0.000 -4.480 1.764) 4.815 8.708 ( 0.000 1.491 -19.418) 19.476 9.380 ( 0.000 3.598 6.322) 7.274 9.395 ( 0.000 -34.962 23.548) 42.153 9.642 ( 0.000 -3.276 -0.154) 3.280 9.962 ( 0.000 -0.392 2.442) 2.473 9.990 ( 0.000 -0.885 2.005) 2.192 10.264 ( 0.000 1.125 1.331) 1.743 10.301 ( 0.000 1.874 2.903) 3.455 11.497 ( 0.000 1.722 5.872) 6.120 11.532 ( 0.000 -1.610 14.998) 15.084 11.945 ( 0.000 2.189 -2.417) 3.261 12.161 ( 0.000 5.047 0.151) 5.049 12.532 ( 0.000 -35.554 31.830) 47.720 13.274 ( 0.000 -13.273 -7.411) 15.202 14.838 ( 0.000 2.045 -5.036) 5.435 15.108 ( 0.000 -7.083 -5.133) 8.747 15.470 ( 0.000 28.409 -29.526) 40.974 15.498 ( 0.000 9.120 -5.932) 10.879 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.12 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 16.645 9.120 14.539) 23.909 1.013 ( 18.721 14.321 16.236) 28.621 1.638 ( 24.599 24.597 25.029) 42.855 1.968 ( -1.088 -17.337 5.680) 18.276 2.159 ( 2.315 -18.964 8.523) 20.919 2.640 ( 1.483 5.339 2.866) 6.238 2.859 ( -10.010 13.072 0.931) 16.491 3.060 ( -3.038 3.621 13.365) 14.176 3.114 ( -1.469 0.450 18.203) 18.268 3.622 ( 1.793 -3.288 4.103) 5.555 3.662 ( -2.720 -0.236 10.830) 11.169 3.746 ( 5.673 -5.831 6.715) 10.549 3.967 ( -9.201 -14.499 1.557) 17.243 4.430 ( -9.438 -2.375 -6.364) 11.628 4.711 ( 0.710 13.804 -1.183) 13.873 5.001 ( 16.647 -1.207 -4.142) 17.197 6.173 ( -7.812 6.441 -7.405) 12.543 6.383 ( -3.847 0.447 -6.710) 7.747 6.748 ( -1.097 2.383 1.840) 3.204 7.027 ( -4.122 -4.247 0.516) 5.941 7.431 ( 1.685 0.411 9.020) 9.186 7.461 ( 3.474 0.238 6.193) 7.105 7.957 ( -1.785 -0.019 10.511) 10.661 8.088 ( 0.313 -6.311 8.041) 10.226 8.583 ( -12.601 4.601 5.949) 14.675 8.877 ( -15.149 -3.653 3.262) 15.921 9.703 ( 8.385 -5.406 -0.751) 10.005 9.723 ( 6.890 -2.512 -2.435) 7.727 9.997 ( 0.455 -0.406 3.656) 3.706 10.057 ( 6.620 -6.394 3.522) 9.854 10.263 ( 0.354 1.169 -0.028) 1.222 10.317 ( 1.065 0.604 3.307) 3.526 11.233 ( -14.732 8.208 13.668) 21.707 11.488 ( -6.607 -4.696 5.430) 9.757 11.787 ( -6.220 9.469 4.598) 12.227 12.336 ( 4.745 8.503 -7.333) 12.190 12.977 ( 28.099 -45.384 10.935) 54.487 13.391 ( 12.204 -16.896 -6.598) 21.862 14.848 ( 0.993 1.995 -5.180) 5.639 15.100 ( -0.740 -6.018 -5.148) 7.954 15.297 ( -10.472 26.735 -15.808) 32.777 15.507 ( -2.304 9.734 -10.249) 14.321 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.25 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 20.394 5.661 9.565) 23.226 1.356 ( 15.547 10.196 19.083) 26.642 1.987 ( 2.821 -12.162 7.475) 14.551 2.173 ( 7.472 -1.979 10.948) 13.401 2.245 ( 18.874 1.042 8.230) 20.616 2.609 ( -3.611 8.306 -0.725) 9.086 2.753 ( 3.521 9.033 0.671) 9.718 3.048 ( 1.621 6.683 17.112) 18.442 3.135 ( 3.320 -1.067 18.184) 18.516 3.518 ( -10.890 -6.852 2.336) 13.076 3.570 ( -9.321 -4.167 4.700) 11.240 3.586 ( -7.630 -2.181 9.229) 12.171 4.084 ( -2.804 -8.959 0.519) 9.402 4.148 ( -5.179 -6.493 2.100) 8.567 4.803 ( 8.506 15.498 -0.842) 17.699 5.323 ( 13.899 -4.777 -5.372) 15.648 5.973 ( -11.504 6.007 -5.522) 14.104 6.248 ( -9.579 -1.930 -5.716) 11.321 6.734 ( 0.022 1.004 1.085) 1.479 6.933 ( -4.533 -2.955 0.881) 5.483 7.482 ( 3.286 0.514 11.867) 12.325 7.548 ( 4.866 -0.654 8.392) 9.723 7.914 ( -2.515 0.024 11.889) 12.153 8.019 ( -7.351 -5.923 24.827) 26.562 8.401 ( -2.408 8.674 1.721) 9.165 8.705 ( -5.718 -1.277 -13.729) 14.927 9.828 ( 5.144 0.166 -4.327) 6.724 9.914 ( 10.857 -1.615 0.564) 10.991 10.000 ( 0.090 0.521 5.166) 5.193 10.183 ( 5.646 -6.485 1.708) 8.766 10.280 ( 1.130 0.453 -1.318) 1.794 10.343 ( 1.730 -1.135 3.858) 4.378 10.976 ( -11.547 7.035 8.617) 16.034 11.207 ( -17.784 -2.106 -1.764) 17.995 11.808 ( 5.415 10.688 9.806) 15.482 12.334 ( -3.774 7.385 -5.011) 9.690 13.413 ( 17.024 -24.980 -2.641) 30.344 13.704 ( 14.832 -28.388 -6.117) 32.608 14.879 ( 2.089 1.758 -5.541) 6.177 15.080 ( -1.234 -4.012 -5.347) 6.798 15.123 ( -6.154 23.113 -9.544) 25.752 15.422 ( -5.653 7.479 -8.131) 12.410 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.38 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 14.951 4.801 12.943) 20.350 1.659 ( 14.207 7.513 7.806) 17.867 2.020 ( -0.539 -4.448 16.735) 17.324 2.251 ( -4.747 10.308 2.548) 11.631 2.325 ( 5.628 -9.856 5.564) 12.640 2.686 ( 0.581 6.401 -1.287) 6.555 2.965 ( 12.921 0.189 -0.076) 12.923 3.123 ( 3.881 0.806 15.079) 15.591 3.202 ( -5.444 -7.134 7.499) 11.694 3.338 ( 5.813 -7.385 10.014) 13.734 3.413 ( -6.476 0.965 8.526) 10.750 3.444 ( -7.906 -0.101 11.757) 14.168 3.783 ( -9.022 5.848 -0.236) 10.754 4.188 ( -3.997 -7.198 4.072) 9.185 5.056 ( 15.418 8.914 -1.206) 17.850 5.559 ( 8.969 -4.688 -5.637) 11.585 5.712 ( -13.227 5.060 -3.564) 14.603 6.016 ( -12.341 -2.745 -5.116) 13.638 6.753 ( 1.736 -0.494 0.562) 1.890 6.855 ( -3.138 -2.068 0.789) 3.840 7.567 ( 5.114 0.727 14.806) 15.681 7.652 ( 5.233 -0.988 10.406) 11.690 7.848 ( -7.532 -1.326 22.993) 24.231 7.850 ( -4.656 -0.647 16.033) 16.708 8.425 ( 3.199 4.808 -6.753) 8.886 8.599 ( -4.914 0.015 -12.050) 13.014 9.918 ( 3.512 1.396 -0.517) 3.814 9.988 ( -0.537 0.409 5.038) 5.083 10.164 ( 12.720 -1.047 0.327) 12.767 10.275 ( 2.930 -2.342 -1.545) 4.057 10.302 ( 1.091 0.425 -1.636) 2.011 10.409 ( 5.479 -3.823 4.406) 8.003 10.743 ( -11.756 2.128 4.068) 12.620 10.845 ( -16.793 -0.172 -0.078) 16.794 11.940 ( 7.060 11.077 5.828) 14.371 12.223 ( -6.495 8.891 -2.054) 11.200 13.719 ( 12.830 -19.072 -5.379) 23.607 13.913 ( 5.171 -26.277 -6.658) 27.596 14.926 ( 2.217 1.488 -5.888) 6.465 15.024 ( -3.248 3.694 -7.042) 8.590 15.083 ( 1.443 11.511 -5.929) 13.029 15.291 ( -6.897 7.397 -7.273) 12.457 ======================= Grid point 58 (25/120) ======================= q-point: (-0.50 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -3.587 4.040 10.055) 11.415 1.809 ( 3.587 4.040 10.055) 11.415 2.064 ( -8.321 4.711 9.522) 13.494 2.064 ( 8.321 4.711 9.522) 13.494 2.559 ( -11.845 -0.014 2.901) 12.195 2.559 ( 11.845 -0.014 2.901) 12.195 3.112 ( -1.437 -10.562 -0.945) 10.701 3.112 ( 1.437 -10.562 -0.945) 10.701 3.266 ( -7.793 -0.395 10.771) 13.300 3.266 ( 7.793 -0.395 10.771) 13.300 3.333 ( -2.892 0.376 12.419) 12.757 3.333 ( 2.892 0.376 12.419) 12.757 3.963 ( -16.678 4.113 4.257) 17.698 3.963 ( 16.678 4.113 4.257) 17.698 5.383 ( -16.029 3.660 -2.425) 16.620 5.383 ( 16.029 3.660 -2.425) 16.620 5.779 ( -10.528 -2.656 -4.896) 11.911 5.779 ( 10.528 -2.656 -4.896) 11.911 6.798 ( -2.568 -1.515 0.502) 3.023 6.798 ( 2.568 -1.515 0.502) 3.023 7.688 ( -6.482 0.599 16.382) 17.628 7.688 ( 6.482 0.599 16.382) 17.628 7.762 ( -4.492 -1.236 16.115) 16.775 7.762 ( 4.492 -1.236 16.115) 16.775 8.504 ( -4.366 2.069 -9.507) 10.664 8.504 ( 4.366 2.069 -9.507) 10.664 9.968 ( -1.567 0.967 3.324) 3.800 9.968 ( 1.567 0.967 3.324) 3.800 10.298 ( -0.487 -0.798 -2.354) 2.533 10.298 ( 0.487 -0.798 -2.354) 2.533 10.462 ( -13.596 0.475 -0.299) 13.607 10.462 ( 13.596 0.475 -0.299) 13.607 10.576 ( -9.140 -2.498 4.123) 10.333 10.576 ( 9.140 -2.498 4.123) 10.333 12.084 ( -7.029 10.558 1.547) 12.777 12.084 ( 7.029 10.558 1.547) 12.777 13.910 ( -5.289 -21.168 -6.355) 22.725 13.910 ( 5.289 -21.168 -6.355) 22.725 14.969 ( -2.267 1.823 -6.183) 6.833 14.969 ( 2.267 1.823 -6.183) 6.833 15.159 ( -5.669 9.267 -6.651) 12.737 15.159 ( 5.669 9.267 -6.651) 12.737 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 24.779 7.464) 25.878 1.149 ( 0.000 23.653 7.927) 24.946 1.607 ( 0.000 -21.750 7.269) 22.933 1.629 ( 0.000 -25.565 4.210) 25.910 2.013 ( 0.000 32.058 24.670) 40.452 2.565 ( 0.000 -18.632 10.649) 21.461 2.956 ( 0.000 -1.410 20.612) 20.660 3.010 ( 0.000 -4.278 17.829) 18.335 3.387 ( 0.000 14.940 -1.205) 14.989 3.590 ( 0.000 7.438 0.035) 7.438 3.686 ( 0.000 -1.448 7.177) 7.322 3.739 ( 0.000 -8.003 4.877) 9.371 3.905 ( 0.000 2.015 2.819) 3.465 4.180 ( 0.000 -15.621 1.470) 15.690 4.907 ( 0.000 6.053 -3.616) 7.051 4.949 ( 0.000 2.500 -6.781) 7.227 6.365 ( 0.000 5.459 -8.346) 9.972 6.443 ( 0.000 -1.760 -11.008) 11.147 6.843 ( 0.000 5.021 1.843) 5.349 6.957 ( 0.000 -6.244 1.056) 6.333 7.426 ( 0.000 0.323 7.537) 7.544 7.429 ( 0.000 0.142 8.343) 8.344 7.974 ( 0.000 -0.096 9.906) 9.906 7.993 ( 0.000 -2.457 8.385) 8.738 8.765 ( 0.000 4.708 -10.914) 11.886 8.929 ( 0.000 -13.481 6.118) 14.804 9.470 ( 0.000 5.083 3.743) 6.313 9.568 ( 0.000 -4.459 1.002) 4.570 9.959 ( 0.000 0.161 1.719) 1.726 9.970 ( 0.000 -0.949 1.647) 1.901 10.290 ( 0.000 1.269 2.817) 3.089 10.309 ( 0.000 -0.534 3.755) 3.793 11.490 ( 0.000 -0.671 11.746) 11.765 11.499 ( 0.000 -1.400 13.576) 13.648 12.005 ( 0.000 3.776 2.500) 4.529 12.101 ( 0.000 -6.466 13.448) 14.922 12.521 ( 0.000 18.217 -7.016) 19.521 12.926 ( 0.000 -20.501 -6.899) 21.631 14.896 ( 0.000 3.734 -5.022) 6.258 14.985 ( 0.000 -5.295 -5.042) 7.312 15.655 ( 0.000 6.018 -8.097) 10.088 15.707 ( 0.000 1.870 -14.180) 14.303 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.12 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 8.042 19.618 7.300) 22.424 1.365 ( 12.655 19.858 13.138) 26.965 1.561 ( 1.713 -22.005 3.841) 22.403 1.768 ( 7.560 -20.204 11.988) 24.679 2.183 ( 15.655 27.859 16.136) 35.799 2.627 ( 5.225 -12.054 5.148) 14.110 3.001 ( 4.102 -1.970 19.870) 20.384 3.034 ( 2.405 -3.141 17.856) 18.289 3.205 ( -12.632 15.282 0.128) 19.827 3.539 ( -11.838 -15.131 -0.838) 19.230 3.639 ( -1.652 2.661 5.966) 6.738 3.677 ( -4.024 -1.759 9.175) 10.172 3.892 ( 1.122 11.041 4.836) 12.106 4.205 ( -3.078 -16.692 -1.700) 17.058 4.935 ( 3.694 8.097 -3.321) 9.499 5.017 ( 7.245 -0.221 -4.698) 8.638 6.294 ( -7.069 5.224 -8.541) 12.256 6.369 ( -6.528 -2.169 -8.456) 10.901 6.817 ( -2.145 4.515 1.690) 5.276 6.922 ( -3.047 -5.800 1.109) 6.645 7.443 ( 1.815 0.743 9.283) 9.488 7.458 ( 2.515 -0.589 8.619) 8.998 7.959 ( -1.318 0.488 11.073) 11.161 7.990 ( -0.893 -3.033 12.500) 12.894 8.679 ( -7.229 5.024 -3.889) 9.624 8.783 ( -8.272 -5.328 -4.009) 10.624 9.639 ( 11.226 -0.156 0.428) 11.235 9.672 ( 8.817 -2.648 -0.092) 9.207 9.987 ( 1.395 -0.390 3.257) 3.565 9.992 ( 2.958 -1.177 3.277) 4.569 10.289 ( 0.087 1.357 1.899) 2.336 10.312 ( 0.255 -0.835 3.383) 3.494 11.357 ( -11.197 4.132 7.755) 14.233 11.418 ( -8.265 -2.730 4.958) 10.017 11.996 ( 1.759 12.086 7.092) 14.123 12.304 ( 11.392 -19.792 9.501) 24.734 12.640 ( 13.043 16.406 -5.499) 21.668 13.026 ( 9.318 -20.240 -6.706) 23.269 14.904 ( 0.796 3.589 -5.200) 6.368 14.988 ( 0.285 -4.936 -5.220) 7.190 15.588 ( -6.326 7.223 -8.870) 13.072 15.642 ( -5.386 2.049 -11.048) 12.460 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.25 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 17.088 12.255 7.274) 22.251 1.608 ( 11.045 14.120 17.475) 25.035 1.697 ( 11.018 -15.151 5.454) 19.512 1.908 ( 6.471 -15.134 16.019) 22.967 2.536 ( 14.109 16.274 2.125) 21.643 2.727 ( 3.363 -0.351 -1.167) 3.577 2.942 ( -7.528 10.375 0.630) 12.834 3.112 ( 4.588 -1.444 16.753) 17.430 3.129 ( 3.677 -0.285 17.177) 17.568 3.264 ( -12.350 -12.000 3.801) 17.634 3.555 ( -6.071 1.072 7.130) 9.426 3.579 ( -5.836 -0.721 10.584) 12.108 3.931 ( 2.655 -0.774 4.611) 5.377 4.032 ( -10.695 -7.850 0.240) 13.268 5.062 ( 8.281 10.473 -3.035) 13.692 5.221 ( 11.308 -5.926 -4.158) 13.426 6.094 ( -12.024 5.710 -6.738) 14.919 6.190 ( -11.060 -3.885 -6.385) 13.349 6.775 ( -1.593 3.198 1.216) 3.774 6.855 ( -3.129 -4.457 1.055) 5.546 7.499 ( 3.625 1.210 11.706) 12.314 7.526 ( 4.156 -1.427 10.634) 11.506 7.917 ( -2.952 0.408 14.032) 14.345 7.940 ( -4.123 -2.209 18.355) 18.942 8.555 ( -3.779 6.601 -4.999) 9.102 8.657 ( -4.608 -3.677 -11.193) 12.651 9.840 ( 8.139 1.216 -1.955) 8.458 9.875 ( 10.115 -2.078 0.051) 10.326 10.019 ( 2.122 1.493 5.395) 5.986 10.071 ( 5.042 -4.110 4.891) 8.139 10.297 ( 0.691 1.101 0.207) 1.317 10.320 ( 0.654 -1.175 2.407) 2.757 11.093 ( -14.378 4.478 2.678) 15.295 11.160 ( -15.740 -2.639 -0.077) 15.960 12.093 ( 6.480 17.363 7.133) 19.858 12.404 ( 0.447 -7.629 0.806) 7.684 13.017 ( 19.999 -2.648 -2.245) 20.298 13.259 ( 12.224 -19.638 -6.078) 23.917 14.927 ( 1.465 2.977 -5.622) 6.528 14.995 ( 0.278 -3.796 -5.685) 6.842 15.439 ( -7.180 9.139 -8.113) 14.174 15.516 ( -6.622 0.948 -8.310) 10.668 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.38 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 11.331 7.358 14.524) 19.836 1.827 ( 9.464 5.566 10.721) 15.346 1.920 ( 10.252 -1.880 13.476) 17.036 2.095 ( 13.300 -11.922 7.700) 19.450 2.540 ( -8.081 17.138 -0.175) 18.948 2.810 ( 3.510 3.315 -4.049) 6.301 2.916 ( -12.753 -13.235 -1.057) 18.410 2.935 ( -0.188 -4.874 -0.547) 4.908 3.191 ( 1.532 4.086 16.636) 17.198 3.264 ( 2.615 -2.896 17.059) 17.500 3.428 ( -5.795 0.607 9.979) 11.556 3.439 ( -7.420 -0.438 10.889) 13.184 3.895 ( 2.154 5.964 2.771) 6.920 4.032 ( 4.261 -7.818 4.649) 10.044 5.251 ( 10.046 9.938 -3.002) 14.447 5.431 ( 8.641 -7.957 -4.441) 12.558 5.829 ( -12.979 6.130 -4.644) 15.086 5.940 ( -12.701 -4.807 -5.010) 14.474 6.758 ( -0.076 1.282 0.788) 1.506 6.802 ( -2.053 -2.876 0.749) 3.612 7.589 ( 5.175 1.488 14.425) 15.398 7.623 ( 5.227 -1.807 13.061) 14.184 7.832 ( -6.076 -0.078 19.110) 20.053 7.839 ( -4.688 -0.588 15.447) 16.153 8.523 ( 0.037 4.374 -8.675) 9.715 8.584 ( -2.746 -1.769 -11.081) 11.553 9.954 ( 3.089 2.050 2.280) 4.352 9.987 ( 1.051 -0.903 4.933) 5.124 10.158 ( 10.964 1.043 0.161) 11.015 10.209 ( 7.602 -3.618 -0.108) 8.419 10.318 ( 1.796 1.126 -0.122) 2.123 10.349 ( 3.141 -2.128 2.765) 4.695 10.787 ( -15.472 2.229 0.763) 15.650 10.827 ( -16.275 -1.628 0.223) 16.358 12.220 ( 5.548 14.906 3.267) 16.237 12.379 ( -2.388 2.295 -0.524) 3.353 13.360 ( 12.868 -9.815 -3.446) 16.547 13.468 ( 7.217 -17.405 -5.268) 19.565 14.960 ( 1.616 1.888 -6.038) 6.530 14.998 ( -0.069 -1.866 -6.208) 6.483 15.325 ( -3.565 7.941 -7.135) 11.255 15.388 ( -5.609 1.362 -7.405) 9.388 ======================= Grid point 67 (30/120) ======================= q-point: (-0.50 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -2.976 1.561 17.509) 17.828 1.869 ( 2.976 1.561 17.509) 17.828 2.182 ( -10.280 5.091 4.077) 12.174 2.182 ( 10.280 5.091 4.077) 12.174 2.571 ( -14.995 1.232 1.856) 15.160 2.571 ( 14.995 1.232 1.856) 15.160 2.902 ( -4.402 -8.219 -3.860) 10.091 2.902 ( 4.402 -8.219 -3.860) 10.091 3.261 ( -3.292 -0.128 11.455) 11.919 3.261 ( 3.292 -0.128 11.455) 11.919 3.335 ( -1.134 -0.050 15.207) 15.249 3.335 ( 1.134 -0.050 15.207) 15.249 4.028 ( -5.656 1.853 3.646) 6.980 4.028 ( 5.656 1.853 3.646) 6.980 5.458 ( -8.710 2.857 -3.568) 9.836 5.458 ( 8.710 2.857 -3.568) 9.836 5.723 ( -6.493 -2.211 -4.189) 8.037 5.723 ( 6.493 -2.211 -4.189) 8.037 6.770 ( -1.151 -0.968 0.628) 1.630 6.770 ( 1.151 -0.968 0.628) 1.630 7.705 ( -6.096 1.114 18.090) 19.123 7.705 ( 6.096 1.114 18.090) 19.123 7.734 ( -5.439 -1.431 13.828) 14.928 7.734 ( 5.439 -1.431 13.828) 14.928 8.541 ( -1.569 1.195 -10.034) 10.226 8.541 ( 1.569 1.195 -10.034) 10.226 9.988 ( -0.667 0.695 5.149) 5.239 9.988 ( 0.667 0.695 5.149) 5.239 10.281 ( -0.392 -0.608 -3.308) 3.386 10.281 ( 0.392 -0.608 -3.308) 3.386 10.476 ( -12.418 0.848 2.445) 12.685 10.476 ( 12.418 0.848 2.445) 12.685 10.526 ( -11.472 -1.974 0.879) 11.674 10.526 ( 11.472 -1.974 0.879) 11.674 12.315 ( -3.874 9.380 0.558) 10.164 12.315 ( 3.874 9.380 0.558) 10.164 13.520 ( -2.605 -13.812 -4.447) 14.742 13.520 ( 2.605 -13.812 -4.447) 14.742 14.988 ( -0.978 0.391 -6.319) 6.407 14.988 ( 0.978 0.391 -6.319) 6.407 15.307 ( -1.855 4.242 -7.020) 8.410 15.307 ( 1.855 4.242 -7.020) 8.410 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 0.000 25.792) 25.792 1.087 ( 0.000 0.000 24.991) 24.991 2.011 ( 0.000 0.000 45.954) 45.954 2.408 ( 0.000 0.000 1.324) 1.324 2.533 ( 0.000 0.000 17.300) 17.300 2.569 ( 0.000 0.000 2.624) 2.624 2.860 ( 0.000 0.000 -3.163) 3.163 3.104 ( 0.000 0.000 7.843) 7.843 3.661 ( 0.000 0.000 27.032) 27.032 3.868 ( 0.000 0.000 11.108) 11.108 3.987 ( 0.000 0.000 16.772) 16.772 4.036 ( 0.000 0.000 27.736) 27.736 4.386 ( 0.000 0.000 -5.823) 5.823 4.433 ( 0.000 0.000 -2.041) 2.041 4.548 ( 0.000 0.000 -7.587) 7.587 4.614 ( 0.000 0.000 9.131) 9.131 6.053 ( 0.000 0.000 -8.885) 8.885 6.247 ( 0.000 0.000 -7.354) 7.354 6.806 ( 0.000 0.000 4.748) 4.748 7.161 ( 0.000 0.000 3.160) 3.160 7.492 ( 0.000 0.000 4.013) 4.013 7.587 ( 0.000 0.000 7.011) 7.011 8.028 ( 0.000 0.000 -2.887) 2.887 8.184 ( 0.000 0.000 -26.094) 26.094 8.272 ( 0.000 0.000 14.825) 14.825 9.557 ( 0.000 0.000 12.936) 12.936 9.613 ( 0.000 0.000 -2.408) 2.408 10.014 ( 0.000 0.000 1.878) 1.878 10.031 ( 0.000 0.000 0.282) 0.282 10.142 ( 0.000 0.000 7.104) 7.104 10.263 ( 0.000 0.000 0.474) 0.474 10.274 ( 0.000 0.000 6.282) 6.282 11.570 ( 0.000 0.000 8.091) 8.091 11.783 ( 0.000 0.000 -9.715) 9.715 11.860 ( 0.000 0.000 -15.372) 15.372 11.929 ( 0.000 0.000 19.642) 19.642 13.202 ( 0.000 0.000 -11.968) 11.968 13.951 ( 0.000 0.000 -4.739) 4.739 14.240 ( 0.000 0.000 -0.221) 0.221 14.674 ( 0.000 0.000 -9.355) 9.355 15.070 ( 0.000 0.000 -9.584) 9.584 15.208 ( 0.000 0.000 -9.287) 9.287 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 9.165 0.000 21.250) 23.143 1.208 ( 23.368 0.000 18.435) 29.764 2.134 ( 12.137 0.000 40.759) 42.527 2.340 ( -3.379 0.000 5.442) 6.405 2.593 ( 2.138 0.000 3.005) 3.688 2.624 ( 5.475 0.000 15.439) 16.381 2.685 ( -11.825 0.000 0.087) 11.825 3.194 ( 5.552 0.000 10.427) 11.813 3.624 ( -2.807 0.000 25.930) 26.081 3.822 ( -4.273 0.000 10.478) 11.316 3.956 ( -2.923 0.000 16.706) 16.960 4.048 ( -12.883 0.000 9.249) 15.859 4.250 ( 9.966 0.000 11.117) 14.930 4.292 ( -9.032 0.000 -5.168) 10.405 4.599 ( -1.797 0.000 8.541) 8.727 4.896 ( 18.155 0.000 -7.895) 19.798 5.966 ( -7.055 0.000 -7.592) 10.364 6.239 ( -2.179 0.000 -7.947) 8.241 6.788 ( -1.351 0.000 4.261) 4.470 7.104 ( -4.884 0.000 2.773) 5.616 7.556 ( 5.863 0.000 4.829) 7.596 7.639 ( 4.498 0.000 8.842) 9.920 8.036 ( 0.938 0.000 -2.484) 2.656 8.222 ( 3.013 0.000 -24.308) 24.494 8.283 ( 0.839 0.000 14.390) 14.414 9.366 ( -17.733 0.000 19.997) 26.727 9.717 ( 4.707 0.000 0.156) 4.710 9.819 ( -3.493 0.000 4.260) 5.509 10.062 ( 2.616 0.000 0.891) 2.764 10.222 ( -1.734 0.000 2.859) 3.344 10.266 ( 4.367 0.000 3.500) 5.597 10.332 ( 3.582 0.000 3.236) 4.827 11.418 ( -11.910 0.000 11.972) 16.887 11.499 ( -17.033 0.000 -8.996) 19.263 11.960 ( 1.888 0.000 19.192) 19.284 12.030 ( 6.095 0.000 -14.056) 15.320 13.269 ( 6.638 0.000 -11.407) 13.197 14.028 ( 5.469 0.000 -11.068) 12.346 14.295 ( 5.114 0.000 -1.717) 5.394 14.678 ( 0.575 0.000 -9.463) 9.480 15.052 ( -1.723 0.000 -9.655) 9.807 15.189 ( -2.043 0.000 -9.811) 10.021 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 12.612 0.000 13.770) 18.673 1.651 ( 17.959 0.000 16.977) 24.714 2.320 ( 1.729 0.000 8.196) 8.377 2.395 ( 0.757 0.000 15.815) 15.833 2.534 ( 6.023 0.000 7.103) 9.312 2.686 ( 9.813 0.000 8.869) 13.227 2.696 ( 1.031 0.000 18.320) 18.349 3.321 ( 7.673 0.000 14.536) 16.437 3.579 ( -1.811 0.000 17.562) 17.655 3.708 ( -6.506 0.000 9.062) 11.156 3.749 ( -12.463 0.000 13.271) 18.205 3.874 ( -5.090 0.000 16.997) 17.743 4.026 ( -16.653 0.000 -4.119) 17.155 4.534 ( -4.722 0.000 8.022) 9.309 4.588 ( 19.099 0.000 8.385) 20.858 5.218 ( 13.562 0.000 -8.650) 16.086 5.800 ( -9.337 0.000 -6.114) 11.161 6.130 ( -8.429 0.000 -7.610) 11.356 6.770 ( -0.060 0.000 3.332) 3.332 6.997 ( -5.016 0.000 2.596) 5.649 7.703 ( 7.951 0.000 7.082) 10.647 7.750 ( 6.115 0.000 12.340) 13.772 8.073 ( 2.736 0.000 -2.341) 3.601 8.275 ( 1.638 0.000 -20.415) 20.481 8.294 ( 0.027 0.000 14.355) 14.355 8.934 ( -21.196 0.000 31.673) 38.111 9.764 ( 3.713 0.000 -1.730) 4.096 9.957 ( 10.840 0.000 2.297) 11.081 10.104 ( 0.613 0.000 3.541) 3.594 10.208 ( 0.564 0.000 -0.087) 0.571 10.311 ( 0.619 0.000 2.671) 2.741 10.417 ( 4.596 0.000 2.937) 5.454 11.147 ( -17.093 0.000 -5.279) 17.889 11.161 ( -12.747 0.000 13.024) 18.224 11.990 ( 1.047 0.000 16.155) 16.189 12.083 ( -0.175 0.000 -10.840) 10.842 13.464 ( 11.968 0.000 -11.496) 16.595 14.104 ( 1.354 0.000 -15.384) 15.443 14.431 ( 7.922 0.000 -4.839) 9.283 14.702 ( 1.838 0.000 -9.862) 10.031 15.003 ( -3.042 0.000 -9.811) 10.272 15.118 ( -5.014 0.000 -10.309) 11.463 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 10.875 0.000 7.356) 13.129 1.894 ( 4.596 0.000 12.213) 13.049 2.334 ( 0.673 0.000 14.822) 14.837 2.407 ( 5.828 0.000 12.293) 13.604 2.665 ( -3.334 0.000 18.977) 19.268 2.667 ( 4.309 0.000 6.137) 7.498 2.999 ( 14.265 0.000 3.254) 14.632 3.459 ( -4.255 0.000 4.503) 6.196 3.502 ( 6.171 0.000 20.792) 21.688 3.570 ( -7.464 0.000 7.907) 10.873 3.642 ( -18.537 0.000 -1.232) 18.578 3.745 ( 12.386 0.000 23.641) 26.689 3.763 ( -6.498 0.000 17.494) 18.661 4.388 ( -10.379 0.000 8.688) 13.535 4.970 ( 17.863 0.000 2.250) 18.004 5.460 ( 10.806 0.000 -7.807) 13.332 5.579 ( -12.372 0.000 -4.528) 13.175 5.919 ( -11.681 0.000 -6.610) 13.422 6.791 ( 2.004 0.000 2.663) 3.333 6.910 ( -3.627 0.000 2.551) 4.434 7.855 ( 6.379 0.000 9.637) 11.556 7.874 ( 5.579 0.000 13.989) 15.060 8.143 ( 4.066 0.000 -2.412) 4.728 8.279 ( -1.168 0.000 -16.992) 17.032 8.289 ( -0.058 0.000 16.002) 16.003 8.563 ( -15.075 0.000 33.613) 36.838 9.872 ( 6.254 0.000 -1.423) 6.414 10.080 ( -2.725 0.000 3.785) 4.664 10.193 ( 11.954 0.000 0.879) 11.986 10.238 ( 2.015 0.000 -1.676) 2.621 10.307 ( -0.735 0.000 1.298) 1.492 10.504 ( 3.173 0.000 1.722) 3.610 10.830 ( -13.036 0.000 0.278) 13.039 10.917 ( -10.918 0.000 11.004) 15.501 12.007 ( 0.756 0.000 10.325) 10.352 12.057 ( -1.783 0.000 -4.445) 4.789 13.721 ( 12.512 0.000 -12.640) 17.785 14.078 ( -3.941 0.000 -15.278) 15.778 14.603 ( 8.644 0.000 -7.718) 11.588 14.750 ( 2.607 0.000 -10.176) 10.504 14.934 ( -3.534 0.000 -9.951) 10.560 14.990 ( -7.158 0.000 -10.194) 12.456 ======================= Grid point 94 (35/120) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -6.906 0.000 5.216) 8.655 1.848 ( 6.906 0.000 5.216) 8.655 2.430 ( -5.317 0.000 22.432) 23.054 2.430 ( 5.317 0.000 22.432) 23.054 2.664 ( -3.901 0.000 8.206) 9.086 2.664 ( 3.901 0.000 8.206) 9.086 3.265 ( -15.231 0.000 -2.303) 15.404 3.265 ( 15.231 0.000 -2.303) 15.404 3.463 ( -4.446 0.000 10.562) 11.459 3.463 ( 4.446 0.000 10.562) 11.459 3.631 ( -6.376 0.000 19.548) 20.562 3.631 ( 6.376 0.000 19.548) 20.562 4.095 ( -17.975 0.000 13.386) 22.412 4.095 ( 17.975 0.000 13.386) 22.412 5.302 ( -14.836 0.000 -1.973) 14.967 5.302 ( 14.836 0.000 -1.973) 14.967 5.681 ( -11.311 0.000 -6.608) 13.100 5.681 ( 11.311 0.000 -6.608) 13.100 6.844 ( -3.003 0.000 2.463) 3.884 6.844 ( 3.003 0.000 2.463) 3.884 7.934 ( -0.632 0.000 11.754) 11.771 7.934 ( 0.632 0.000 11.754) 11.771 8.231 ( -3.732 0.000 -11.597) 12.183 8.231 ( 3.732 0.000 -11.597) 12.183 8.336 ( -6.455 0.000 28.519) 29.240 8.336 ( 6.455 0.000 28.519) 29.240 9.996 ( -5.456 0.000 0.886) 5.527 9.996 ( 5.456 0.000 0.886) 5.527 10.278 ( -1.697 0.000 -0.619) 1.806 10.278 ( 1.697 0.000 -0.619) 1.806 10.434 ( -10.452 0.000 -1.254) 10.527 10.434 ( 10.452 0.000 -1.254) 10.527 10.742 ( -5.058 0.000 8.486) 9.879 10.742 ( 5.058 0.000 8.486) 9.879 12.025 ( -1.177 0.000 3.108) 3.323 12.025 ( 1.177 0.000 3.108) 3.323 13.945 ( -9.024 0.000 -14.035) 16.686 13.945 ( 9.024 0.000 -14.035) 16.686 14.758 ( -4.733 0.000 -9.705) 10.798 14.758 ( 4.733 0.000 -9.705) 10.798 14.883 ( -0.359 0.000 -9.885) 9.892 14.883 ( 0.359 0.000 -9.885) 9.892 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 12.340 21.835) 25.080 1.136 ( 0.000 6.458 21.820) 22.756 2.162 ( 0.000 -10.021 13.570) 16.869 2.192 ( 0.000 -20.206 8.569) 21.948 2.229 ( 0.000 9.372 32.646) 33.964 2.780 ( 0.000 9.263 8.514) 12.582 3.013 ( 0.000 12.667 1.474) 12.753 3.302 ( 0.000 14.423 4.492) 15.107 3.603 ( 0.000 -4.110 26.259) 26.579 3.752 ( 0.000 -12.008 18.330) 21.913 3.969 ( 0.000 -3.802 21.223) 21.560 4.002 ( 0.000 1.057 16.349) 16.384 4.122 ( 0.000 -15.286 -3.339) 15.647 4.438 ( 0.000 -8.386 -1.174) 8.468 4.662 ( 0.000 11.216 -4.698) 12.160 4.733 ( 0.000 7.394 2.648) 7.853 6.092 ( 0.000 3.573 -9.330) 9.991 6.250 ( 0.000 0.063 -8.426) 8.426 6.832 ( 0.000 2.617 4.611) 5.302 7.111 ( 0.000 -4.450 3.441) 5.626 7.525 ( 0.000 2.789 4.996) 5.722 7.593 ( 0.000 0.493 6.873) 6.891 8.008 ( 0.000 -1.853 -3.773) 4.204 8.076 ( 0.000 -5.804 -13.258) 14.473 8.440 ( 0.000 12.135 4.784) 13.044 9.565 ( 0.000 0.720 11.236) 11.259 9.595 ( 0.000 -3.486 0.076) 3.487 9.753 ( 0.000 -24.439 10.337) 26.535 9.995 ( 0.000 -1.363 0.991) 1.686 10.031 ( 0.000 -1.848 2.720) 3.289 10.300 ( 0.000 3.146 2.101) 3.783 10.388 ( 0.000 3.499 5.559) 6.569 11.586 ( 0.000 0.701 2.539) 2.634 11.727 ( 0.000 -4.121 -3.766) 5.583 11.990 ( 0.000 13.103 -10.769) 16.961 12.008 ( 0.000 6.558 14.334) 15.763 13.068 ( 0.000 -41.735 17.165) 45.127 13.075 ( 0.000 -12.342 -11.240) 16.694 14.689 ( 0.000 2.229 -9.392) 9.653 14.959 ( 0.000 -6.894 -9.284) 11.564 15.000 ( 0.000 31.327 -17.366) 35.818 15.330 ( 0.000 7.584 -10.253) 12.753 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.12 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 11.222 4.199 20.414) 23.670 1.328 ( 19.376 10.730 15.870) 27.247 2.085 ( -1.451 -18.111 7.248) 19.561 2.295 ( 8.874 10.804 31.489) 34.453 2.379 ( 9.340 -12.418 13.742) 20.743 2.759 ( -2.582 7.911 7.222) 11.019 2.871 ( -9.586 13.775 2.877) 17.027 3.335 ( 2.245 9.484 10.385) 14.242 3.586 ( -1.161 -2.486 25.749) 25.895 3.776 ( -1.693 -4.824 10.245) 11.450 3.887 ( -12.009 -12.684 6.719) 18.714 3.966 ( -3.077 0.380 16.647) 16.933 4.099 ( 7.650 -7.867 14.889) 18.496 4.344 ( -8.872 -1.168 -2.372) 9.257 4.727 ( 1.462 8.893 3.781) 9.774 4.886 ( 14.964 0.236 -6.764) 16.423 6.013 ( -6.712 4.270 -8.446) 11.603 6.229 ( -3.050 -1.155 -8.412) 9.022 6.809 ( -1.810 2.168 4.156) 5.025 7.062 ( -4.257 -3.860 2.994) 6.480 7.581 ( 5.128 2.136 5.874) 8.085 7.644 ( 4.500 0.425 8.710) 9.813 8.021 ( 1.613 -1.194 -3.886) 4.373 8.126 ( 4.062 -5.116 -10.975) 12.772 8.427 ( -1.371 10.085 4.387) 11.083 9.282 ( -20.099 -9.730 20.971) 30.634 9.695 ( 3.672 -1.954 -0.100) 4.160 9.764 ( 5.645 -3.724 5.031) 8.429 10.047 ( 3.094 -1.414 0.654) 3.464 10.123 ( 6.137 -6.365 4.047) 9.724 10.278 ( -1.575 3.465 1.959) 4.281 10.402 ( 1.015 2.134 5.003) 5.533 11.444 ( -11.938 1.434 6.887) 13.856 11.481 ( -16.597 -1.277 -5.162) 17.428 12.032 ( 1.801 6.853 16.498) 17.955 12.129 ( 6.224 10.198 -12.098) 17.002 13.109 ( 6.794 -18.866 -3.588) 20.371 13.273 ( 14.089 -33.194 0.030) 36.060 14.695 ( 0.643 2.117 -9.585) 9.838 14.943 ( -2.223 2.953 -12.149) 12.698 14.964 ( -2.141 19.422 -12.441) 23.164 15.305 ( -2.601 7.174 -10.720) 13.159 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 14.029 5.176 13.696) 20.278 1.736 ( 17.614 8.168 15.797) 25.030 2.137 ( 6.708 -13.342 8.340) 17.105 2.486 ( -1.390 4.433 16.120) 16.776 2.523 ( 9.786 -5.219 13.733) 17.653 2.671 ( -2.182 5.295 9.397) 11.004 2.806 ( 4.712 8.372 7.335) 12.086 3.385 ( 1.847 2.052 9.740) 10.124 3.551 ( -6.952 -1.558 13.448) 15.218 3.625 ( -2.963 -6.231 20.829) 21.942 3.721 ( -5.233 -0.194 10.276) 11.534 3.877 ( -5.967 -0.252 16.048) 17.123 4.062 ( -14.089 1.169 0.792) 14.159 4.320 ( 6.386 -10.798 13.111) 18.146 4.801 ( 7.405 10.947 1.570) 13.309 5.183 ( 13.362 -3.113 -7.943) 15.853 5.845 ( -9.726 4.200 -6.829) 12.604 6.107 ( -8.780 -2.289 -7.662) 11.876 6.780 ( -0.738 1.097 3.359) 3.610 6.967 ( -4.541 -2.885 2.628) 5.987 7.712 ( 7.244 0.877 8.134) 10.927 7.755 ( 6.146 0.393 12.054) 13.536 8.075 ( 3.469 0.291 -3.436) 4.891 8.208 ( 3.490 -3.565 -6.332) 8.062 8.383 ( -2.866 6.007 3.627) 7.580 8.870 ( -18.861 -6.227 28.472) 34.715 9.784 ( 5.650 2.080 -0.652) 6.056 9.944 ( 10.753 -1.291 2.482) 11.111 10.100 ( 1.531 -0.338 2.612) 3.046 10.219 ( 3.057 -3.124 3.872) 5.839 10.258 ( 0.036 0.755 -0.377) 0.845 10.428 ( 1.854 -0.145 4.264) 4.652 11.129 ( -17.004 -0.548 -0.822) 17.033 11.178 ( -13.905 0.234 5.696) 15.028 12.065 ( 1.386 7.510 13.679) 15.666 12.186 ( 0.064 9.669 -8.777) 13.059 13.313 ( 12.211 -14.871 -7.631) 20.700 13.555 ( 12.135 -30.380 -7.527) 33.569 14.718 ( 1.592 1.795 -10.044) 10.327 14.877 ( -3.159 14.742 -12.972) 19.889 14.935 ( -1.278 3.310 -9.120) 9.786 15.223 ( -5.299 6.441 -11.048) 13.843 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.38 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 12.376 7.744 7.663) 16.488 1.984 ( 5.682 8.483 13.330) 16.791 2.338 ( 10.900 -6.563 11.453) 17.119 2.401 ( -1.609 6.603 13.333) 14.965 2.589 ( -1.459 -6.448 20.949) 21.967 2.713 ( 3.331 3.501 4.194) 6.399 2.972 ( 6.975 -2.842 1.251) 7.635 3.263 ( -10.215 -14.432 2.755) 17.895 3.474 ( -0.468 0.405 14.642) 14.655 3.634 ( -4.657 1.973 13.406) 14.328 3.683 ( -9.770 1.291 8.951) 13.313 3.742 ( 5.872 0.075 23.721) 24.437 3.861 ( 0.999 8.410 12.478) 15.081 4.333 ( -5.202 -5.097 10.391) 12.689 5.035 ( 14.187 5.935 -0.268) 15.380 5.421 ( 9.748 -3.793 -7.414) 12.821 5.621 ( -11.575 3.945 -5.026) 13.222 5.892 ( -11.683 -2.593 -6.494) 13.616 6.786 ( 1.342 -0.226 2.789) 3.104 6.888 ( -3.335 -2.145 2.520) 4.699 7.855 ( 6.227 0.131 10.277) 12.017 7.878 ( 5.363 0.193 13.469) 14.498 8.153 ( 4.144 1.042 -2.445) 4.924 8.262 ( 2.002 -1.393 -1.725) 2.987 8.315 ( -3.579 2.423 4.280) 6.083 8.540 ( -13.452 -2.329 29.297) 32.321 9.914 ( 6.580 3.961 0.030) 7.680 10.097 ( -1.756 1.555 3.860) 4.517 10.170 ( 10.166 -1.912 0.796) 10.375 10.262 ( 2.588 0.975 0.398) 2.794 10.275 ( 1.097 -1.819 -0.176) 2.131 10.485 ( 3.505 -2.098 2.737) 4.917 10.804 ( -14.197 -1.478 1.243) 14.327 10.905 ( -12.575 -1.720 6.840) 14.417 12.092 ( 1.417 8.414 8.042) 11.725 12.163 ( -1.848 9.555 -3.425) 10.317 13.561 ( 11.119 -14.533 -9.942) 20.825 13.729 ( 4.507 -23.988 -10.806) 26.693 14.756 ( 1.967 1.607 -10.428) 10.733 14.829 ( -1.734 5.671 -11.571) 13.002 14.920 ( 0.514 7.506 -9.597) 12.194 15.100 ( -6.522 6.615 -11.016) 14.410 ======================= Grid point 103 (40/120) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -7.274 9.778 5.655) 13.435 1.951 ( 7.274 9.778 5.655) 13.435 2.435 ( -3.689 0.167 22.626) 22.925 2.435 ( 3.689 0.167 22.626) 22.925 2.662 ( -8.343 -0.247 7.846) 11.456 2.662 ( 8.343 -0.247 7.846) 11.456 3.092 ( -7.367 -13.165 -0.887) 15.112 3.092 ( 7.367 -13.165 -0.887) 15.112 3.483 ( -3.510 0.506 9.272) 9.927 3.483 ( 3.510 0.506 9.272) 9.927 3.687 ( -4.033 3.615 20.766) 21.461 3.687 ( 4.033 3.615 20.766) 21.461 4.124 ( -14.619 2.492 12.055) 19.112 4.124 ( 14.619 2.492 12.055) 19.112 5.327 ( -13.858 2.372 -2.662) 14.310 5.327 ( 13.858 2.372 -2.662) 14.310 5.659 ( -10.791 -2.093 -6.412) 12.726 5.659 ( 10.791 -2.093 -6.412) 12.726 6.828 ( -2.581 -1.383 2.536) 3.874 6.828 ( 2.581 -1.383 2.536) 3.874 7.935 ( -0.748 0.015 11.605) 11.629 7.935 ( 0.748 0.015 11.605) 11.629 8.238 ( -3.838 0.890 -6.660) 7.738 8.238 ( 3.838 0.890 -6.660) 7.738 8.334 ( -6.293 -0.433 23.431) 24.265 8.334 ( 6.293 -0.433 23.431) 24.265 10.032 ( -4.682 3.388 2.138) 6.162 10.032 ( 4.682 3.388 2.138) 6.162 10.261 ( -1.364 -1.610 -0.714) 2.228 10.261 ( 1.364 -1.610 -0.714) 2.228 10.443 ( -10.343 0.982 -1.210) 10.460 10.443 ( 10.343 0.982 -1.210) 10.460 10.695 ( -6.392 -4.308 7.335) 10.640 10.695 ( 6.392 -4.308 7.335) 10.640 12.124 ( -1.775 9.203 2.195) 9.626 12.124 ( 1.775 9.203 2.195) 9.626 13.728 ( -4.587 -17.830 -11.135) 21.516 13.728 ( 4.587 -17.830 -11.135) 21.516 14.794 ( -1.790 1.428 -10.640) 10.884 14.794 ( 1.790 1.428 -10.640) 10.884 14.977 ( -4.948 8.192 -10.635) 14.307 14.977 ( 4.948 8.192 -10.635) 14.307 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 18.027 14.290) 23.004 1.368 ( 0.000 15.916 12.757) 20.398 1.778 ( 0.000 -20.086 10.775) 22.794 1.780 ( 0.000 -20.309 9.729) 22.519 2.617 ( 0.000 20.122 31.997) 37.798 2.880 ( 0.000 -2.929 17.432) 17.676 3.297 ( 0.000 14.708 2.791) 14.970 3.431 ( 0.000 -2.300 17.206) 17.359 3.510 ( 0.000 -6.997 21.095) 22.225 3.611 ( 0.000 -1.443 5.025) 5.228 3.824 ( 0.000 -6.008 5.459) 8.117 3.895 ( 0.000 -4.591 14.118) 14.846 4.073 ( 0.000 5.283 12.417) 13.494 4.239 ( 0.000 -10.623 4.203) 11.424 4.825 ( 0.000 4.719 -4.438) 6.478 4.842 ( 0.000 2.811 -1.364) 3.124 6.174 ( 0.000 4.038 -10.059) 10.839 6.235 ( 0.000 -1.906 -9.898) 10.080 6.905 ( 0.000 4.621 4.368) 6.358 7.008 ( 0.000 -5.524 4.000) 6.820 7.579 ( 0.000 2.134 6.705) 7.036 7.600 ( 0.000 -0.069 6.973) 6.974 7.973 ( 0.000 -0.991 -6.788) 6.860 7.989 ( 0.000 -2.728 -10.634) 10.978 8.738 ( 0.000 18.234 10.059) 20.825 9.175 ( 0.000 -25.796 15.179) 29.931 9.583 ( 0.000 1.002 7.074) 7.144 9.604 ( 0.000 -1.200 2.639) 2.899 9.979 ( 0.000 -0.009 0.481) 0.481 9.996 ( 0.000 -1.556 1.120) 1.917 10.366 ( 0.000 3.019 4.453) 5.380 10.408 ( 0.000 -0.951 5.735) 5.813 11.601 ( 0.000 1.407 -0.818) 1.627 11.650 ( 0.000 -3.375 -1.510) 3.698 12.176 ( 0.000 10.756 14.350) 17.934 12.336 ( 0.000 20.143 -7.926) 21.647 12.471 ( 0.000 -20.154 17.297) 26.559 12.747 ( 0.000 -19.711 -9.682) 21.960 14.748 ( 0.000 3.740 -9.345) 10.066 14.837 ( 0.000 -5.294 -9.295) 10.697 15.386 ( 0.000 9.349 -16.062) 18.585 15.440 ( 0.000 2.502 -12.357) 12.608 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.12 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 7.596 12.906 15.203) 21.340 1.591 ( 14.286 10.154 9.200) 19.795 1.737 ( 4.548 -11.107 13.314) 17.925 1.999 ( 12.904 -19.149 10.199) 25.243 2.648 ( 2.650 16.504 26.784) 31.572 2.853 ( -2.413 -1.846 14.957) 15.262 3.163 ( -10.707 15.602 0.320) 18.925 3.395 ( -3.332 -4.093 9.404) 10.784 3.520 ( 0.462 -4.446 21.974) 22.424 3.610 ( -1.369 -12.949 16.101) 20.707 3.781 ( -0.827 7.726 8.753) 11.705 3.921 ( -1.001 -5.058 14.532) 15.420 4.067 ( 0.528 4.213 11.949) 12.681 4.218 ( -3.440 -9.442 3.805) 10.745 4.870 ( 3.687 4.773 -2.037) 6.366 4.908 ( 7.408 0.621 -5.323) 9.143 6.109 ( -5.985 4.781 -9.377) 12.107 6.188 ( -4.735 -3.041 -9.227) 10.807 6.873 ( -2.685 4.180 3.914) 6.325 6.969 ( -3.418 -5.154 3.493) 7.103 7.625 ( 4.238 1.931 7.839) 9.118 7.648 ( 4.268 -0.315 8.649) 9.650 8.007 ( 3.306 0.260 -6.770) 7.539 8.042 ( 4.455 -3.202 -8.914) 10.467 8.669 ( -5.968 14.429 10.465) 18.797 8.991 ( -13.796 -17.282 17.913) 28.458 9.678 ( 6.902 0.652 2.460) 7.356 9.708 ( 8.827 -2.108 4.213) 10.006 10.023 ( 3.659 -0.385 0.641) 3.735 10.042 ( 4.038 -2.252 1.761) 4.947 10.352 ( -1.156 3.498 4.239) 5.616 10.405 ( -0.312 -1.516 5.425) 5.641 11.454 ( -12.588 0.192 -0.864) 12.619 11.464 ( -14.605 -0.679 0.438) 14.627 12.222 ( 3.022 12.313 13.475) 18.502 12.394 ( 1.004 10.675 -5.941) 12.258 12.628 ( 15.661 -14.652 8.997) 23.258 12.848 ( 9.657 -19.096 -9.859) 23.561 14.751 ( 0.379 3.564 -9.575) 10.224 14.836 ( -0.175 -4.932 -9.573) 10.771 15.331 ( -4.779 9.903 -14.549) 18.237 15.403 ( -3.608 1.646 -12.401) 13.019 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 14.970 10.067 12.639) 22.027 1.854 ( 13.384 -11.806 9.475) 20.206 1.967 ( 14.058 11.998 15.570) 24.166 2.253 ( 10.973 -14.934 14.562) 23.569 2.687 ( -0.454 9.658 12.382) 15.710 2.791 ( -3.363 1.411 8.038) 8.827 2.973 ( -5.966 10.248 3.874) 12.475 3.223 ( -11.520 -13.531 1.457) 17.831 3.594 ( 6.158 2.337 23.568) 24.471 3.626 ( 0.484 2.998 24.650) 24.837 3.712 ( -4.288 1.924 8.186) 9.439 3.828 ( -7.874 -5.565 12.630) 15.889 4.070 ( -3.923 1.566 9.707) 10.586 4.151 ( 1.475 -6.279 12.935) 14.454 4.987 ( 7.849 7.635 -3.735) 11.570 5.107 ( 10.901 -4.681 -6.640) 13.595 5.944 ( -9.970 5.302 -7.638) 13.632 6.042 ( -9.509 -4.260 -7.776) 13.001 6.820 ( -2.152 3.004 3.237) 4.912 6.894 ( -3.490 -4.142 2.876) 6.133 7.735 ( 6.278 1.304 10.038) 11.911 7.756 ( 6.002 -0.540 11.476) 12.962 8.093 ( 4.676 1.687 -5.036) 7.076 8.141 ( 4.790 -3.072 -5.642) 8.013 8.528 ( -7.350 8.507 10.891) 15.653 8.709 ( -13.108 -9.264 20.342) 25.913 9.843 ( 8.731 3.470 1.650) 9.540 9.906 ( 10.449 -2.607 2.788) 11.125 10.097 ( 3.038 0.339 1.506) 3.408 10.131 ( 4.247 -3.417 1.746) 5.724 10.327 ( -1.101 4.075 3.236) 5.319 10.398 ( -0.147 -2.795 4.709) 5.478 11.134 ( -16.784 1.013 -0.656) 16.827 11.162 ( -15.446 -1.503 1.649) 15.606 12.270 ( 1.708 11.963 9.004) 15.070 12.385 ( -1.287 5.488 -3.148) 6.456 12.978 ( 16.754 -10.548 -1.133) 19.830 13.095 ( 13.132 -17.153 -9.235) 23.494 14.764 ( 0.907 2.876 -10.110) 10.550 14.830 ( -0.395 -3.701 -10.228) 10.884 15.220 ( -5.535 9.718 -12.561) 16.819 15.304 ( -5.735 0.672 -11.997) 13.314 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.38 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 15.306 11.220 9.021) 21.012 2.163 ( 15.790 -10.509 10.866) 21.860 2.194 ( 7.040 11.679 16.761) 21.608 2.416 ( 4.734 -10.028 20.717) 23.498 2.593 ( -5.911 11.501 7.311) 14.854 2.774 ( 1.874 -0.718 1.348) 2.417 2.896 ( -5.915 -2.958 1.086) 6.702 2.986 ( -10.021 -10.920 4.035) 15.361 3.526 ( -5.334 4.065 12.340) 14.044 3.606 ( -8.885 -3.483 10.859) 14.457 3.716 ( 0.313 1.540 18.816) 18.882 3.738 ( 2.761 -0.637 22.395) 22.573 4.039 ( 3.871 8.896 12.492) 15.817 4.204 ( 1.642 -7.626 12.381) 14.633 5.176 ( 10.312 7.573 -3.988) 13.401 5.317 ( 9.309 -6.422 -6.266) 12.929 5.718 ( -11.483 5.378 -5.826) 13.954 5.820 ( -11.630 -4.590 -6.257) 13.981 6.794 ( -0.374 1.228 2.843) 3.119 6.835 ( -2.229 -2.734 2.637) 4.405 7.863 ( 5.736 0.671 11.350) 12.735 7.876 ( 5.284 -0.470 12.594) 13.666 8.184 ( 4.176 1.959 -1.783) 4.945 8.226 ( 3.625 -2.118 -0.526) 4.231 8.384 ( -6.606 4.297 10.410) 13.057 8.473 ( -10.019 -4.270 19.992) 22.766 10.012 ( 7.158 5.364 3.142) 9.481 10.103 ( 5.802 -3.146 5.658) 8.694 10.149 ( 3.981 1.686 -1.128) 4.468 10.202 ( 2.440 -3.334 -0.257) 4.139 10.330 ( 2.581 4.146 1.679) 5.164 10.419 ( 3.107 -4.378 3.578) 6.451 10.801 ( -15.559 1.383 0.669) 15.634 10.851 ( -14.745 -3.176 2.311) 15.259 12.298 ( 1.241 10.108 3.837) 10.883 12.354 ( -1.569 6.261 -1.949) 6.743 13.266 ( 10.883 -10.081 -5.525) 15.830 13.323 ( 8.160 -14.623 -8.424) 18.746 14.787 ( 1.240 1.683 -10.568) 10.773 14.821 ( -0.468 -1.640 -10.775) 10.910 15.128 ( -3.071 7.500 -11.677) 14.214 15.187 ( -5.249 1.277 -11.751) 12.933 ======================= Grid point 112 (45/120) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -7.771 13.196 8.673) 17.600 2.194 ( 7.771 13.196 8.673) 17.600 2.398 ( -5.873 -5.569 19.393) 21.014 2.398 ( 5.873 -5.569 19.393) 21.014 2.656 ( -12.447 -0.159 7.422) 14.492 2.656 ( 12.447 -0.159 7.422) 14.492 2.855 ( -5.427 -8.116 -0.336) 9.769 2.855 ( 5.427 -8.116 -0.336) 9.769 3.485 ( -1.961 -0.043 9.153) 9.361 3.485 ( 1.961 -0.043 9.153) 9.361 3.734 ( -1.384 1.075 22.818) 22.885 3.734 ( 1.384 1.075 22.818) 22.885 4.169 ( -5.490 1.436 10.647) 12.065 4.169 ( 5.490 1.436 10.647) 12.065 5.380 ( -7.518 2.145 -3.637) 8.623 5.380 ( 7.518 2.145 -3.637) 8.623 5.612 ( -6.233 -1.891 -6.191) 8.986 5.612 ( 6.233 -1.891 -6.191) 8.986 6.802 ( -1.076 -0.882 2.673) 3.013 6.802 ( 1.076 -0.882 2.673) 3.013 7.935 ( -0.392 0.011 11.403) 11.410 7.935 ( 0.392 0.011 11.403) 11.410 8.269 ( -4.472 2.065 -0.479) 4.949 8.269 ( 4.472 2.065 -0.479) 4.949 8.312 ( -5.530 -1.798 16.948) 17.918 8.312 ( 5.530 -1.798 16.948) 17.918 10.109 ( -2.430 3.509 5.701) 7.121 10.109 ( 2.430 3.509 5.701) 7.121 10.221 ( -0.751 -2.107 -1.943) 2.963 10.221 ( 0.751 -2.107 -1.943) 2.963 10.476 ( -8.051 2.157 -0.944) 8.388 10.476 ( 8.051 2.157 -0.944) 8.388 10.598 ( -6.548 -4.401 4.830) 9.251 10.598 ( 6.548 -4.401 4.830) 9.251 12.324 ( -1.347 8.071 0.170) 8.185 12.324 ( 1.347 8.071 0.170) 8.185 13.395 ( -1.449 -11.817 -7.424) 14.030 13.395 ( 1.449 -11.817 -7.424) 14.030 14.809 ( -0.797 0.330 -10.804) 10.839 14.809 ( 0.797 0.330 -10.804) 10.839 15.112 ( -1.678 3.938 -11.671) 12.431 15.112 ( 1.678 3.938 -11.671) 12.431 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.000 25.398) 25.398 1.560 ( 0.000 0.000 20.990) 20.990 2.493 ( 0.000 0.000 7.184) 7.184 2.635 ( 0.000 0.000 4.047) 4.047 2.751 ( 0.000 0.000 -6.925) 6.925 2.846 ( 0.000 0.000 12.686) 12.686 2.874 ( 0.000 0.000 37.099) 37.099 3.281 ( 0.000 0.000 10.485) 10.485 4.143 ( 0.000 0.000 15.614) 15.614 4.177 ( 0.000 0.000 16.582) 16.582 4.246 ( 0.000 0.000 -6.858) 6.858 4.338 ( 0.000 0.000 16.095) 16.095 4.348 ( 0.000 0.000 -8.610) 8.610 4.447 ( 0.000 0.000 9.381) 9.381 4.700 ( 0.000 0.000 32.616) 32.616 4.839 ( 0.000 0.000 12.410) 12.410 5.860 ( 0.000 0.000 -9.754) 9.754 6.070 ( 0.000 0.000 -9.843) 9.843 6.922 ( 0.000 0.000 6.547) 6.547 7.258 ( 0.000 0.000 6.292) 6.292 7.560 ( 0.000 0.000 2.282) 2.282 7.582 ( 0.000 0.000 -6.975) 6.975 7.679 ( 0.000 0.000 -22.659) 22.659 8.089 ( 0.000 0.000 7.707) 7.707 8.547 ( 0.000 0.000 11.581) 11.581 9.564 ( 0.000 0.000 -2.336) 2.336 9.806 ( 0.000 0.000 8.823) 8.823 10.022 ( 0.000 0.000 -0.708) 0.708 10.088 ( 0.000 0.000 7.554) 7.554 10.268 ( 0.000 0.000 -0.096) 0.096 10.323 ( 0.000 0.000 10.918) 10.918 10.432 ( 0.000 0.000 8.559) 8.559 11.513 ( 0.000 0.000 -17.813) 17.813 11.514 ( 0.000 0.000 -16.819) 16.819 11.766 ( 0.000 0.000 10.903) 10.903 12.309 ( 0.000 0.000 17.225) 17.225 12.963 ( 0.000 0.000 -10.730) 10.730 13.826 ( 0.000 0.000 -7.601) 7.601 14.236 ( 0.000 0.000 -0.206) 0.206 14.445 ( 0.000 0.000 -12.927) 12.927 14.852 ( 0.000 0.000 -11.486) 11.486 14.984 ( 0.000 0.000 -12.502) 12.502 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 4.295 0.000 19.207) 19.682 1.615 ( 15.606 0.000 20.649) 25.883 2.477 ( -0.566 0.000 8.777) 8.795 2.633 ( -3.241 0.000 1.131) 3.432 2.654 ( -3.410 0.000 1.324) 3.658 2.927 ( 6.647 0.000 12.520) 14.175 2.969 ( 7.376 0.000 35.159) 35.924 3.355 ( 5.987 0.000 6.303) 8.694 3.976 ( -11.943 0.000 3.029) 12.321 4.075 ( -6.505 0.000 13.047) 14.579 4.171 ( -7.485 0.000 -5.023) 9.014 4.302 ( -2.962 0.000 23.482) 23.668 4.305 ( -2.903 0.000 16.607) 16.859 4.660 ( 11.661 0.000 9.162) 14.830 4.795 ( 9.730 0.000 13.032) 16.264 4.818 ( -2.170 0.000 12.306) 12.496 5.795 ( -5.421 0.000 -8.852) 10.380 6.060 ( -1.916 0.000 -9.451) 9.644 6.894 ( -2.194 0.000 5.945) 6.337 7.184 ( -5.747 0.000 4.822) 7.502 7.635 ( 6.940 0.000 2.092) 7.249 7.662 ( 6.328 0.000 -5.859) 8.623 7.743 ( 5.499 0.000 -20.985) 21.693 8.102 ( 1.344 0.000 8.432) 8.539 8.571 ( 2.230 0.000 12.626) 12.821 9.576 ( 0.783 0.000 0.951) 1.232 9.861 ( 3.214 0.000 11.028) 11.487 9.904 ( -11.325 0.000 6.888) 13.255 10.044 ( 1.840 0.000 -1.805) 2.577 10.284 ( 1.133 0.000 2.146) 2.427 10.390 ( 3.047 0.000 8.932) 9.437 10.437 ( 0.896 0.000 6.890) 6.948 11.277 ( -12.420 0.000 -12.361) 17.523 11.661 ( -9.406 0.000 12.137) 15.356 11.693 ( 7.232 0.000 -18.731) 20.078 12.326 ( 0.770 0.000 16.451) 16.469 13.031 ( 6.566 0.000 -11.079) 12.878 13.817 ( -0.825 0.000 -10.390) 10.423 14.261 ( 2.475 0.000 -1.522) 2.905 14.449 ( 0.515 0.000 -12.815) 12.826 14.834 ( -1.750 0.000 -11.415) 11.549 14.961 ( -2.304 0.000 -12.459) 12.670 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.513 0.000 15.052) 16.401 1.960 ( 15.022 0.000 13.884) 20.456 2.503 ( 3.481 0.000 10.213) 10.790 2.506 ( -3.355 0.000 1.286) 3.593 2.704 ( 4.701 0.000 6.803) 8.269 3.061 ( 5.395 0.000 15.151) 16.083 3.104 ( 4.102 0.000 25.164) 25.496 3.486 ( 6.306 0.000 4.677) 7.851 3.820 ( -1.859 0.000 9.631) 9.809 3.893 ( -11.541 0.000 3.659) 12.107 3.948 ( -13.187 0.000 2.686) 13.458 4.233 ( -4.046 0.000 17.402) 17.866 4.243 ( -2.059 0.000 27.327) 27.405 4.749 ( -4.626 0.000 12.411) 13.245 4.869 ( 9.957 0.000 18.647) 21.139 5.047 ( 13.238 0.000 -7.004) 14.977 5.662 ( -7.595 0.000 -7.062) 10.371 5.970 ( -6.888 0.000 -7.753) 10.371 6.860 ( -0.690 0.000 5.396) 5.440 7.069 ( -5.018 0.000 4.398) 6.672 7.795 ( 6.211 0.000 -7.167) 9.484 7.808 ( 8.727 0.000 -2.897) 9.195 7.867 ( 6.463 0.000 -12.435) 14.014 8.142 ( 2.443 0.000 10.002) 10.296 8.632 ( 3.777 0.000 15.917) 16.359 9.479 ( -13.321 0.000 21.146) 24.992 9.734 ( 1.591 0.000 -0.942) 1.849 10.020 ( 8.927 0.000 3.519) 9.596 10.084 ( 1.793 0.000 -3.035) 3.525 10.283 ( -1.551 0.000 4.409) 4.674 10.411 ( -0.766 0.000 7.588) 7.626 10.483 ( 3.168 0.000 3.491) 4.714 11.033 ( -10.908 0.000 -5.386) 12.165 11.424 ( -13.127 0.000 12.863) 18.378 11.822 ( 5.934 0.000 -14.460) 15.630 12.310 ( -2.660 0.000 14.756) 14.994 13.212 ( 10.615 0.000 -12.531) 16.423 13.793 ( -1.612 0.000 -15.136) 15.222 14.332 ( 4.375 0.000 -4.778) 6.478 14.470 ( 1.624 0.000 -12.647) 12.750 14.784 ( -3.054 0.000 -11.220) 11.629 14.888 ( -4.877 0.000 -12.152) 13.094 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 6.661 0.000 10.823) 12.709 2.085 ( -2.286 0.000 7.688) 8.020 2.609 ( 11.902 0.000 9.753) 15.388 2.614 ( 6.931 0.000 9.543) 11.794 2.829 ( 7.168 0.000 8.272) 10.945 3.106 ( -1.781 0.000 20.823) 20.899 3.114 ( -1.129 0.000 8.625) 8.699 3.569 ( -18.495 0.000 -3.143) 18.760 3.587 ( 3.615 0.000 8.724) 9.444 3.740 ( -7.133 0.000 6.957) 9.964 3.901 ( 7.335 0.000 16.993) 18.509 4.142 ( -4.882 0.000 18.523) 19.155 4.261 ( 4.976 0.000 25.452) 25.934 4.626 ( -7.691 0.000 14.070) 16.035 5.073 ( 10.049 0.000 8.604) 13.229 5.309 ( 12.566 0.000 -6.382) 14.094 5.484 ( -9.771 0.000 -4.449) 10.737 5.790 ( -10.474 0.000 -5.616) 11.885 6.871 ( 1.683 0.000 5.229) 5.493 6.984 ( -3.523 0.000 4.726) 5.895 7.897 ( 3.573 0.000 -10.638) 11.222 7.921 ( 2.645 0.000 -16.709) 16.917 8.028 ( 8.315 0.000 6.263) 10.410 8.186 ( 1.133 0.000 10.428) 10.489 8.732 ( 6.457 0.000 20.890) 21.866 9.176 ( -14.693 0.000 25.655) 29.565 9.840 ( 7.026 0.000 -1.884) 7.275 10.093 ( -2.080 0.000 -1.843) 2.779 10.209 ( 8.949 0.000 0.518) 8.963 10.250 ( -0.261 0.000 1.909) 1.926 10.375 ( -2.183 0.000 5.776) 6.175 10.516 ( -1.329 0.000 -0.464) 1.408 10.878 ( -2.782 0.000 4.591) 5.367 11.155 ( -12.633 0.000 12.147) 17.526 11.949 ( 6.688 0.000 -5.981) 8.972 12.222 ( -5.709 0.000 10.356) 11.826 13.436 ( 10.757 0.000 -14.702) 18.217 13.741 ( -3.829 0.000 -17.257) 17.677 14.435 ( 5.544 0.000 -8.618) 10.247 14.513 ( 2.417 0.000 -12.683) 12.911 14.716 ( -3.380 0.000 -10.863) 11.377 14.770 ( -6.335 0.000 -11.225) 12.889 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -6.075 0.000 7.881) 9.951 1.986 ( 6.075 0.000 7.881) 9.951 2.739 ( -2.831 0.000 8.698) 9.148 2.739 ( 2.831 0.000 8.698) 9.148 2.988 ( -8.661 0.000 20.583) 22.331 2.988 ( 8.661 0.000 20.583) 22.331 3.220 ( -13.493 0.000 -1.342) 13.559 3.220 ( 13.493 0.000 -1.342) 13.559 3.647 ( -2.854 0.000 7.420) 7.950 3.647 ( 2.854 0.000 7.420) 7.950 4.035 ( -5.707 0.000 19.029) 19.866 4.035 ( 5.707 0.000 19.029) 19.866 4.436 ( -10.435 0.000 18.919) 21.606 4.436 ( 10.435 0.000 18.919) 21.606 5.278 ( -10.198 0.000 0.085) 10.199 5.278 ( 10.198 0.000 0.085) 10.199 5.559 ( -11.997 0.000 -4.800) 12.921 5.559 ( 11.997 0.000 -4.800) 12.921 6.920 ( -2.867 0.000 5.045) 5.803 6.920 ( 2.867 0.000 5.045) 5.803 7.939 ( -0.628 0.000 -14.081) 14.095 7.939 ( 0.628 0.000 -14.081) 14.095 8.159 ( -4.043 0.000 8.878) 9.755 8.159 ( 4.043 0.000 8.878) 9.755 8.910 ( -11.144 0.000 24.866) 27.248 8.910 ( 11.144 0.000 24.866) 27.248 9.989 ( -7.101 0.000 -1.308) 7.221 9.989 ( 7.101 0.000 -1.308) 7.221 10.283 ( -2.160 0.000 0.706) 2.272 10.283 ( 2.160 0.000 0.706) 2.272 10.418 ( -6.854 0.000 0.235) 6.858 10.418 ( 6.854 0.000 0.235) 6.858 10.940 ( -7.827 0.000 10.507) 13.102 10.940 ( 7.827 0.000 10.507) 13.102 12.090 ( -6.997 0.000 3.056) 7.635 12.090 ( 6.997 0.000 3.056) 7.635 13.626 ( -7.609 0.000 -16.621) 18.280 13.626 ( 7.609 0.000 -16.621) 18.280 14.532 ( -2.369 0.000 -12.260) 12.487 14.532 ( 2.369 0.000 -12.260) 12.487 14.675 ( -0.997 0.000 -9.980) 10.030 14.675 ( 0.997 0.000 -9.980) 10.030 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 6.545 22.877) 23.795 1.563 ( 0.000 1.271 19.484) 19.526 2.335 ( 0.000 -13.165 10.623) 16.916 2.345 ( 0.000 -18.793 6.946) 20.036 2.830 ( 0.000 9.966 -2.856) 10.367 2.993 ( 0.000 10.392 32.339) 33.967 3.134 ( 0.000 16.352 8.881) 18.608 3.418 ( 0.000 10.760 8.607) 13.779 4.030 ( 0.000 -13.911 1.095) 13.954 4.056 ( 0.000 -7.905 11.942) 14.321 4.124 ( 0.000 -4.711 13.995) 14.766 4.339 ( 0.000 0.128 15.700) 15.701 4.353 ( 0.000 -0.006 -1.608) 1.608 4.545 ( 0.000 -11.820 27.385) 29.827 4.634 ( 0.000 11.498 5.551) 12.768 4.905 ( 0.000 3.117 14.239) 14.576 5.893 ( 0.000 3.048 -9.906) 10.365 6.062 ( 0.000 -0.933 -10.079) 10.123 6.948 ( 0.000 2.573 6.642) 7.123 7.213 ( 0.000 -3.975 6.515) 7.632 7.583 ( 0.000 0.126 -7.517) 7.518 7.608 ( 0.000 3.277 2.422) 4.074 7.669 ( 0.000 0.336 -20.314) 20.317 8.039 ( 0.000 -4.782 6.299) 7.909 8.672 ( 0.000 12.223 12.087) 17.190 9.587 ( 0.000 1.945 -0.476) 2.003 9.790 ( 0.000 -1.719 8.818) 8.984 9.896 ( 0.000 -14.046 3.372) 14.445 10.030 ( 0.000 -3.532 3.594) 5.039 10.155 ( 0.000 -8.900 9.930) 13.334 10.352 ( 0.000 6.171 3.189) 6.946 10.521 ( 0.000 3.300 7.227) 7.945 11.480 ( 0.000 -1.829 -13.460) 13.584 11.506 ( 0.000 -0.801 -15.620) 15.641 11.912 ( 0.000 12.876 4.656) 13.692 12.347 ( 0.000 3.985 16.212) 16.694 12.856 ( 0.000 -10.381 -9.439) 14.031 13.282 ( 0.000 -31.470 5.159) 31.890 14.464 ( 0.000 2.127 -12.621) 12.799 14.715 ( 0.000 25.336 -11.386) 27.777 14.741 ( 0.000 -7.003 -11.836) 13.752 15.093 ( 0.000 6.469 -12.689) 14.243 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 5.459 1.884 18.499) 19.379 1.674 ( 14.751 5.684 18.172) 24.085 2.274 ( -0.044 -14.028 11.098) 17.888 2.502 ( 9.014 -13.389 6.048) 17.237 2.771 ( -5.747 10.284 -1.990) 11.947 2.971 ( -0.641 6.826 19.996) 21.139 3.144 ( 1.063 12.249 24.468) 27.383 3.466 ( 2.526 6.354 3.625) 7.739 3.910 ( -7.003 -4.879 3.738) 9.318 4.001 ( -4.133 -7.197 7.160) 10.961 4.099 ( -3.816 -0.882 16.269) 16.734 4.301 ( -3.267 -0.158 15.210) 15.558 4.391 ( -1.960 1.530 11.181) 11.454 4.555 ( 3.934 -9.429 23.681) 25.791 4.760 ( 10.717 2.060 -2.674) 11.236 4.900 ( -0.235 3.131 13.892) 14.242 5.833 ( -5.135 3.525 -8.995) 10.941 6.044 ( -2.382 -1.576 -9.502) 9.922 6.915 ( -2.630 2.100 5.995) 6.875 7.147 ( -5.246 -3.390 5.143) 8.090 7.661 ( 6.487 0.214 -6.867) 9.449 7.680 ( 6.543 3.416 3.671) 8.243 7.733 ( 5.512 -0.209 -19.774) 20.529 8.061 ( 2.070 -4.082 6.936) 8.310 8.678 ( 0.638 10.566 13.389) 17.068 9.584 ( -2.585 -1.378 5.922) 6.607 9.760 ( -5.430 -8.740 9.081) 13.724 9.864 ( 4.198 -1.560 4.080) 6.058 10.052 ( 1.923 -0.757 0.656) 2.168 10.210 ( 3.706 -8.191 4.061) 9.865 10.362 ( 0.584 3.952 6.799) 7.886 10.518 ( -0.269 2.600 6.279) 6.801 11.291 ( -11.854 1.411 -11.177) 16.353 11.519 ( -5.077 -6.445 -4.596) 9.404 11.919 ( 1.647 14.670 -3.878) 15.263 12.368 ( 0.961 4.226 15.301) 15.903 12.928 ( 6.870 -10.013 -9.866) 15.646 13.319 ( 3.574 -30.117 1.116) 30.349 14.468 ( 0.440 2.011 -12.595) 12.762 14.676 ( -2.950 16.186 -12.017) 20.374 14.745 ( -0.191 0.951 -11.045) 11.087 15.065 ( -2.807 6.124 -12.658) 14.339 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 8.196 4.383 14.281) 17.039 2.015 ( 15.745 4.965 12.325) 20.602 2.336 ( 6.015 -9.599 10.403) 15.381 2.649 ( -3.592 8.506 4.467) 10.257 2.676 ( 7.222 -5.490 3.495) 9.722 2.998 ( 2.925 -1.641 16.403) 16.742 3.147 ( -1.634 2.982 20.942) 21.217 3.457 ( -3.395 -5.815 2.443) 7.163 3.829 ( -3.898 2.958 13.202) 14.080 3.887 ( -6.138 -0.304 3.182) 6.920 4.002 ( -3.616 4.951 11.575) 13.098 4.220 ( -3.314 -0.264 20.120) 20.393 4.301 ( -4.576 3.403 20.865) 21.631 4.645 ( 1.801 -7.914 17.312) 19.120 4.918 ( 4.732 2.760 10.992) 12.282 5.020 ( 12.727 -2.277 -6.871) 14.641 5.702 ( -7.703 3.711 -6.981) 11.038 5.949 ( -7.057 -2.194 -7.609) 10.607 6.870 ( -1.275 1.124 5.459) 5.717 7.041 ( -4.682 -2.667 4.570) 7.066 7.798 ( 6.375 0.393 -7.769) 10.058 7.841 ( 6.952 2.854 -7.781) 10.817 7.864 ( 8.121 -0.044 -5.526) 9.823 8.116 ( 3.094 -2.695 8.608) 9.536 8.701 ( 1.837 6.985 16.985) 18.457 9.392 ( -13.153 -8.590 21.779) 26.853 9.777 ( 5.288 4.366 -0.214) 6.861 10.004 ( 8.285 -1.356 2.815) 8.855 10.091 ( 2.041 0.423 -2.094) 2.955 10.267 ( 1.043 -4.172 1.659) 4.609 10.370 ( 0.482 0.786 9.475) 9.519 10.511 ( -0.312 0.725 3.619) 3.704 11.044 ( -11.747 1.204 -4.531) 12.648 11.329 ( -12.120 -7.388 5.611) 15.263 11.976 ( 3.595 13.201 -9.268) 16.526 12.354 ( -2.477 4.212 12.981) 13.870 13.113 ( 10.646 -9.236 -10.900) 17.817 13.414 ( 5.123 -25.434 -6.682) 26.792 14.485 ( 1.338 1.636 -12.524) 12.701 14.614 ( -2.738 11.017 -12.499) 16.885 14.730 ( -1.156 3.004 -10.539) 11.020 14.981 ( -5.280 5.505 -12.496) 14.640 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 8.021 7.337 9.948) 14.735 2.170 ( -1.016 8.063 6.491) 10.401 2.539 ( 12.797 -5.712 9.026) 16.669 2.683 ( 7.219 5.511 10.738) 14.063 2.824 ( 7.522 -2.300 5.166) 9.411 3.036 ( -1.621 -5.051 18.509) 19.254 3.081 ( -2.787 -2.856 12.678) 13.291 3.329 ( -9.923 -13.392 3.405) 17.012 3.691 ( -6.687 -1.042 8.563) 10.915 3.731 ( -7.809 4.000 3.870) 9.589 4.035 ( 4.124 8.352 18.320) 20.552 4.198 ( -2.917 5.784 18.085) 19.210 4.263 ( 5.188 0.045 24.887) 25.423 4.597 ( -5.720 -3.003 14.642) 16.004 5.078 ( 9.933 0.801 5.538) 11.400 5.277 ( 12.121 -3.096 -6.069) 13.905 5.521 ( -9.749 3.467 -4.447) 11.262 5.767 ( -10.455 -2.305 -5.417) 11.999 6.869 ( 1.064 -0.059 5.347) 5.452 6.962 ( -3.200 -2.024 4.850) 6.153 7.904 ( 3.813 0.770 -11.209) 11.865 7.932 ( 2.604 0.883 -16.103) 16.336 8.042 ( 7.941 1.373 6.661) 10.455 8.171 ( 1.747 -1.427 9.812) 10.068 8.763 ( 4.654 3.251 21.775) 22.503 9.126 ( -12.409 -4.795 25.546) 28.802 9.909 ( 6.999 6.593 -0.800) 9.649 10.095 ( 0.009 0.282 -2.038) 2.057 10.200 ( 6.727 -0.987 0.742) 6.839 10.273 ( 2.419 1.251 1.046) 2.917 10.357 ( -2.341 -0.632 7.293) 7.686 10.512 ( -0.433 -0.562 0.206) 0.739 10.850 ( -5.897 -2.366 3.695) 7.350 11.071 ( -12.388 -7.506 8.648) 16.869 12.061 ( 4.763 10.167 -5.030) 12.303 12.275 ( -4.914 4.930 8.297) 10.830 13.328 ( 9.618 -9.753 -12.373) 18.458 13.495 ( 2.058 -18.695 -11.839) 22.224 14.520 ( 1.892 1.254 -12.373) 12.579 14.574 ( -1.182 4.709 -12.946) 13.827 14.710 ( -0.254 5.323 -10.563) 11.831 14.860 ( -6.286 5.423 -12.147) 14.713 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -6.396 8.962 6.683) 12.880 2.079 ( 6.396 8.962 6.683) 12.880 2.749 ( -5.885 0.359 8.099) 10.017 2.749 ( 5.885 0.359 8.099) 10.017 2.985 ( -5.962 -0.552 20.943) 21.782 2.985 ( 5.962 -0.552 20.943) 21.782 3.086 ( -9.613 -11.077 1.572) 14.751 3.086 ( 9.613 -11.077 1.572) 14.751 3.633 ( -1.420 -0.886 5.865) 6.099 3.633 ( 1.420 -0.886 5.865) 6.099 4.118 ( -4.154 6.346 20.235) 21.609 4.118 ( 4.154 6.346 20.235) 21.609 4.437 ( -9.412 0.097 17.674) 20.024 4.437 ( 9.412 0.097 17.674) 20.024 5.291 ( -10.507 1.319 -0.480) 10.600 5.291 ( 10.507 1.319 -0.480) 10.600 5.539 ( -11.547 -1.950 -4.755) 12.639 5.539 ( 11.547 -1.950 -4.755) 12.639 6.906 ( -2.388 -1.193 5.189) 5.835 6.906 ( 2.388 -1.193 5.189) 5.835 7.950 ( -0.742 0.984 -14.192) 14.245 7.950 ( 0.742 0.984 -14.192) 14.245 8.160 ( -3.245 0.056 8.870) 9.445 8.160 ( 3.245 0.056 8.870) 9.445 8.904 ( -9.180 -0.579 25.282) 26.903 8.904 ( 9.180 -0.579 25.282) 26.903 10.038 ( -5.180 4.473 -1.300) 6.966 10.038 ( 5.180 4.473 -1.300) 6.966 10.278 ( -3.679 -0.344 1.891) 4.151 10.278 ( 3.679 -0.344 1.891) 4.151 10.427 ( -7.643 1.065 0.133) 7.718 10.427 ( 7.643 1.065 0.133) 7.718 10.864 ( -6.877 -7.093 8.882) 13.286 10.864 ( 6.877 -7.093 8.882) 13.286 12.167 ( -5.485 7.065 1.828) 9.129 12.167 ( 5.485 7.065 1.828) 9.129 13.475 ( -4.302 -12.836 -13.227) 18.927 13.475 ( 4.302 -12.836 -13.227) 18.927 14.553 ( -1.271 1.132 -12.590) 12.705 14.553 ( 1.271 1.132 -12.590) 12.705 14.747 ( -4.146 6.200 -11.440) 13.657 14.747 ( 4.146 6.200 -11.440) 13.657 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 6.186 13.553) 14.898 1.663 ( 0.000 7.140 15.066) 16.672 2.020 ( 0.000 -11.155 14.215) 18.070 2.063 ( 0.000 -12.261 16.630) 20.661 3.074 ( 0.000 12.434 -0.426) 12.442 3.181 ( 0.000 4.507 16.988) 17.576 3.419 ( 0.000 11.735 11.365) 16.337 3.562 ( 0.000 -0.250 8.258) 8.262 3.804 ( 0.000 -5.249 6.929) 8.693 3.872 ( 0.000 -9.106 11.895) 14.980 4.085 ( 0.000 3.695 15.897) 16.321 4.273 ( 0.000 -12.208 14.496) 18.952 4.344 ( 0.000 0.414 13.837) 13.844 4.359 ( 0.000 -1.561 14.263) 14.348 4.827 ( 0.000 7.466 6.847) 10.130 4.920 ( 0.000 -1.849 10.380) 10.543 5.964 ( 0.000 3.752 -10.293) 10.956 6.028 ( 0.000 -2.523 -10.408) 10.709 7.020 ( 0.000 4.534 6.821) 8.190 7.119 ( 0.000 -5.178 6.825) 8.567 7.590 ( 0.000 0.666 -9.115) 9.140 7.610 ( 0.000 -1.272 -10.502) 10.579 7.764 ( 0.000 7.262 -1.864) 7.497 7.914 ( 0.000 -7.378 2.948) 7.945 9.009 ( 0.000 21.043 13.589) 25.050 9.462 ( 0.000 -22.410 12.183) 25.507 9.672 ( 0.000 1.919 3.524) 4.013 9.737 ( 0.000 -3.449 7.039) 7.838 9.994 ( 0.000 0.209 1.599) 1.612 10.035 ( 0.000 -3.839 3.368) 5.107 10.467 ( 0.000 4.950 5.325) 7.271 10.535 ( 0.000 -1.658 6.461) 6.671 11.466 ( 0.000 0.362 -11.821) 11.826 11.485 ( 0.000 -1.228 -13.135) 13.193 12.225 ( 0.000 17.690 -1.401) 17.746 12.479 ( 0.000 9.373 13.449) 16.393 12.579 ( 0.000 -16.158 -5.598) 17.100 12.770 ( 0.000 -19.722 11.171) 22.666 14.523 ( 0.000 3.854 -12.500) 13.081 14.616 ( 0.000 -5.488 -12.202) 13.379 15.076 ( 0.000 10.985 -14.221) 17.969 15.172 ( 0.000 0.475 -13.605) 13.613 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 6.637 6.460 14.962) 17.596 1.793 ( 10.872 2.352 11.182) 15.772 2.054 ( 5.870 -3.607 16.801) 18.159 2.210 ( 11.114 -14.145 11.423) 21.309 3.013 ( -6.062 12.245 -0.221) 13.665 3.112 ( -5.231 4.208 12.424) 14.122 3.337 ( -6.801 5.544 17.838) 19.879 3.445 ( -8.042 -7.201 2.775) 11.146 3.862 ( 4.806 2.363 11.597) 12.774 3.960 ( 2.555 -2.838 13.675) 14.198 4.086 ( 0.358 4.746 16.957) 17.612 4.267 ( -2.709 -7.512 13.968) 16.090 4.346 ( 1.407 -1.568 13.461) 13.625 4.385 ( 3.454 -4.686 16.784) 17.765 4.850 ( 3.049 5.126 2.529) 6.479 4.919 ( 0.153 -1.345 8.355) 8.464 5.916 ( -4.425 4.439 -9.341) 11.248 5.996 ( -3.416 -3.335 -9.539) 10.667 6.976 ( -3.563 3.949 6.000) 8.018 7.064 ( -4.452 -4.667 5.696) 8.605 7.669 ( 6.651 0.733 -8.579) 10.880 7.690 ( 6.874 -1.164 -9.586) 11.853 7.813 ( 4.518 6.676 -1.122) 8.139 7.950 ( 3.372 -6.690 3.627) 8.323 8.969 ( -3.317 18.093 15.404) 23.992 9.352 ( -8.736 -18.832 16.176) 26.318 9.732 ( 5.734 3.637 2.727) 7.317 9.813 ( 6.296 -3.741 4.918) 8.822 10.035 ( 3.258 0.149 0.896) 3.382 10.079 ( 3.637 -4.411 2.346) 6.180 10.457 ( -0.956 4.561 5.878) 7.501 10.523 ( -1.085 -1.846 5.960) 6.333 11.335 ( -10.445 3.040 -9.028) 14.137 11.411 ( -8.173 -4.607 -7.265) 11.866 12.248 ( 1.680 17.801 -4.642) 18.473 12.481 ( -1.051 4.025 9.167) 10.066 12.676 ( 9.453 -11.320 -4.665) 15.468 12.824 ( 5.542 -18.624 8.119) 21.060 14.524 ( 0.076 3.604 -12.554) 13.061 14.609 ( -0.622 -5.028 -12.355) 13.353 15.040 ( -3.355 10.691 -13.753) 17.740 15.137 ( -3.346 0.193 -13.444) 13.856 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 11.267 8.237 12.671) 18.851 2.056 ( 14.204 -5.999 9.663) 18.196 2.245 ( 11.211 5.906 12.641) 17.898 2.458 ( 12.216 -12.863 7.212) 19.149 2.870 ( -6.216 11.615 3.497) 13.630 3.015 ( -3.649 -0.601 10.727) 11.346 3.181 ( -7.951 1.242 14.390) 16.487 3.282 ( -8.424 -9.094 5.976) 13.762 3.895 ( -7.533 2.315 10.781) 13.354 3.904 ( -3.263 1.261 9.890) 10.491 4.112 ( 2.323 5.585 19.413) 20.334 4.203 ( -0.966 -2.643 22.234) 22.411 4.363 ( -0.373 4.042 16.898) 17.379 4.484 ( 4.157 -7.651 18.044) 20.035 4.956 ( 4.792 1.210 2.530) 5.553 4.979 ( 9.166 -1.506 -4.292) 10.233 5.792 ( -7.707 4.971 -7.041) 11.562 5.885 ( -7.423 -4.116 -7.306) 11.199 6.908 ( -2.571 2.743 5.424) 6.600 6.975 ( -3.820 -3.695 5.036) 7.321 7.814 ( 6.814 1.209 -9.526) 11.774 7.841 ( 6.798 -1.258 -12.360) 14.162 7.934 ( 7.171 5.189 3.691) 9.590 8.038 ( 4.899 -4.909 5.876) 9.090 8.899 ( -3.059 12.459 19.321) 23.192 9.165 ( -8.966 -13.401 21.299) 26.714 9.887 ( 8.976 5.763 2.290) 10.910 9.970 ( 8.670 -2.419 2.739) 9.409 10.098 ( 2.792 0.833 -0.690) 2.994 10.156 ( 3.506 -5.133 1.079) 6.309 10.432 ( -1.316 3.809 6.796) 7.901 10.495 ( -1.517 -2.215 4.568) 5.298 11.087 ( -13.188 3.421 -3.156) 13.985 11.185 ( -13.093 -6.449 -0.586) 14.607 12.272 ( 0.661 14.874 -5.787) 15.974 12.436 ( -3.036 1.043 5.361) 6.249 12.909 ( 12.188 -7.781 -6.274) 15.762 12.987 ( 9.651 -15.072 0.275) 17.900 14.529 ( 0.550 2.771 -12.640) 12.952 14.593 ( -0.914 -3.567 -12.645) 13.170 14.955 ( -4.579 9.341 -13.051) 16.690 15.044 ( -5.484 -0.035 -13.166) 14.263 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 11.020 11.535 8.455) 18.055 2.327 ( 8.526 -2.565 4.820) 10.124 2.432 ( 8.643 4.811 8.712) 13.182 2.665 ( 7.303 -12.298 3.106) 14.636 2.831 ( 3.080 8.838 11.144) 14.553 2.989 ( 0.451 -2.932 17.748) 17.994 3.020 ( -6.920 -1.497 11.968) 13.905 3.091 ( -10.246 -8.643 7.425) 15.323 3.710 ( -8.798 2.236 7.836) 11.992 3.751 ( -9.333 -1.243 6.130) 11.235 4.166 ( 2.778 5.019 22.167) 22.898 4.238 ( 1.649 -2.157 24.718) 24.867 4.359 ( 1.602 8.391 16.600) 18.669 4.506 ( -1.725 -6.085 15.965) 17.172 5.117 ( 10.342 3.212 -0.626) 10.847 5.198 ( 11.421 -4.497 -4.706) 13.146 5.608 ( -10.100 4.901 -4.616) 12.138 5.701 ( -10.364 -4.218 -4.994) 12.253 6.878 ( -0.483 1.132 5.441) 5.579 6.915 ( -2.141 -2.428 5.199) 6.124 7.926 ( 3.892 1.220 -12.511) 13.159 7.942 ( 3.137 -0.172 -14.694) 15.026 8.081 ( 6.298 2.408 7.562) 10.131 8.131 ( 3.678 -2.483 8.544) 9.628 8.861 ( -0.451 6.381 23.570) 24.423 9.001 ( -6.948 -7.286 24.923) 26.880 10.063 ( 6.642 7.123 0.656) 9.761 10.107 ( 3.201 0.732 -1.707) 3.701 10.175 ( 4.753 -0.611 1.006) 4.897 10.236 ( 6.218 -4.440 3.400) 8.362 10.405 ( -1.186 4.418 5.906) 7.470 10.483 ( 1.051 -2.746 2.873) 4.111 10.823 ( -12.107 0.889 1.522) 12.235 10.909 ( -13.294 -7.416 3.012) 15.518 12.285 ( 0.907 10.257 -3.873) 11.001 12.370 ( -3.145 2.366 2.079) 4.451 13.130 ( 8.701 -7.117 -7.783) 13.672 13.168 ( 6.925 -11.338 -5.878) 14.528 14.547 ( 1.120 1.505 -12.581) 12.720 14.577 ( -0.564 -1.410 -12.691) 12.782 14.872 ( -3.051 6.652 -12.948) 14.874 14.930 ( -5.302 0.775 -13.122) 14.174 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -6.306 12.275 3.685) 14.284 2.307 ( 6.306 12.275 3.685) 14.284 2.671 ( -9.760 -9.663 5.603) 14.833 2.671 ( 9.760 -9.663 5.603) 14.833 2.902 ( -6.531 -2.803 7.384) 10.248 2.902 ( 6.531 -2.803 7.384) 10.248 2.989 ( -3.006 -0.489 21.338) 21.554 2.989 ( 3.006 -0.489 21.338) 21.554 3.620 ( -1.546 -0.356 4.681) 4.942 3.620 ( 1.546 -0.356 4.681) 4.942 4.220 ( -2.365 3.016 23.882) 24.188 4.220 ( 2.365 3.016 23.882) 24.188 4.437 ( -4.520 -0.097 14.335) 15.032 4.437 ( 4.520 -0.097 14.335) 15.032 5.326 ( -6.940 1.678 -1.301) 7.257 5.326 ( 6.940 1.678 -1.301) 7.257 5.494 ( -7.085 -1.962 -4.767) 8.762 5.494 ( 7.085 -1.962 -4.767) 8.762 6.884 ( -0.953 -0.745 5.444) 5.577 6.884 ( 0.953 -0.745 5.444) 5.577 7.969 ( -0.405 0.657 -14.480) 14.501 7.969 ( 0.405 0.657 -14.480) 14.501 8.161 ( -1.222 0.036 8.871) 8.955 8.161 ( 1.222 0.036 8.871) 8.955 8.892 ( -3.601 -0.441 26.006) 26.258 8.892 ( 3.601 -0.441 26.006) 26.258 10.125 ( -1.022 2.887 -2.702) 4.085 10.125 ( 1.022 2.887 -2.702) 4.085 10.278 ( -4.120 0.363 5.527) 6.903 10.278 ( 4.120 0.363 5.527) 6.903 10.473 ( -6.089 3.517 1.197) 7.134 10.473 ( 6.089 3.517 1.197) 7.134 10.699 ( -4.463 -7.800 4.804) 10.190 10.699 ( 4.463 -7.800 4.804) 10.190 12.316 ( -2.133 5.790 -1.108) 6.269 12.316 ( 2.133 5.790 -1.108) 6.269 13.233 ( -0.943 -8.492 -8.079) 11.759 13.233 ( 0.943 -8.492 -8.079) 11.759 14.567 ( -0.655 0.324 -12.495) 12.516 14.567 ( 0.655 0.324 -12.495) 12.516 14.853 ( -1.595 3.234 -13.189) 13.673 14.853 ( 1.595 3.234 -13.189) 13.673 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 0.000 19.509) 19.509 1.927 ( 0.000 0.000 14.816) 14.816 2.591 ( 0.000 0.000 -7.681) 7.681 2.694 ( 0.000 0.000 12.018) 12.018 2.749 ( 0.000 0.000 6.837) 6.837 3.047 ( 0.000 0.000 7.426) 7.426 3.309 ( 0.000 0.000 7.646) 7.646 3.716 ( 0.000 0.000 29.506) 29.506 4.099 ( 0.000 0.000 -6.716) 6.716 4.158 ( 0.000 0.000 -9.055) 9.055 4.242 ( 0.000 0.000 -1.641) 1.641 4.473 ( 0.000 0.000 15.767) 15.767 4.637 ( 0.000 0.000 12.313) 12.313 4.878 ( 0.000 0.000 24.054) 24.054 5.093 ( 0.000 0.000 11.738) 11.738 5.366 ( 0.000 0.000 31.178) 31.178 5.677 ( 0.000 0.000 -7.476) 7.476 5.854 ( 0.000 0.000 -11.115) 11.115 7.064 ( 0.000 0.000 7.078) 7.078 7.252 ( 0.000 0.000 -18.363) 18.363 7.392 ( 0.000 0.000 -10.394) 10.394 7.414 ( 0.000 0.000 8.833) 8.833 7.608 ( 0.000 0.000 1.711) 1.711 8.243 ( 0.000 0.000 6.116) 6.116 8.732 ( 0.000 0.000 6.518) 6.518 9.520 ( 0.000 0.000 -1.992) 1.992 9.881 ( 0.000 0.000 0.401) 0.401 10.006 ( 0.000 0.000 -1.065) 1.065 10.261 ( 0.000 0.000 -0.497) 0.497 10.333 ( 0.000 0.000 14.084) 14.084 10.592 ( 0.000 0.000 15.510) 15.510 10.603 ( 0.000 0.000 7.926) 7.926 11.111 ( 0.000 0.000 -22.065) 22.065 11.174 ( 0.000 0.000 -14.459) 14.459 12.002 ( 0.000 0.000 11.940) 11.940 12.626 ( 0.000 0.000 14.003) 14.003 12.785 ( 0.000 0.000 -6.641) 6.641 13.637 ( 0.000 0.000 -11.081) 11.081 14.160 ( 0.000 0.000 -14.586) 14.586 14.232 ( 0.000 0.000 -0.194) 0.194 14.616 ( 0.000 0.000 -11.364) 11.364 14.709 ( 0.000 0.000 -14.196) 14.196 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 2.088 0.000 14.151) 14.304 2.005 ( 9.100 0.000 16.422) 18.775 2.544 ( -3.799 0.000 -5.714) 6.862 2.695 ( 0.464 0.000 12.156) 12.165 2.774 ( 2.561 0.000 7.562) 7.984 3.118 ( 6.353 0.000 6.589) 9.153 3.412 ( 8.415 0.000 4.870) 9.722 3.650 ( -5.829 0.000 23.313) 24.031 3.980 ( -5.160 0.000 0.984) 5.253 4.026 ( -7.037 0.000 -5.885) 9.174 4.403 ( -7.129 0.000 15.439) 17.005 4.545 ( 17.416 0.000 -3.480) 17.760 4.610 ( -2.146 0.000 12.866) 13.043 4.848 ( -2.633 0.000 23.218) 23.367 5.068 ( -2.420 0.000 11.320) 11.576 5.363 ( -0.338 0.000 29.463) 29.465 5.621 ( -4.359 0.000 -7.896) 9.019 5.869 ( 0.213 0.000 -8.752) 8.755 7.014 ( -2.947 0.000 4.873) 5.695 7.267 ( -6.096 0.000 1.273) 6.228 7.344 ( 6.969 0.000 -15.562) 17.051 7.535 ( 5.812 0.000 -3.243) 6.656 7.690 ( 7.662 0.000 1.646) 7.837 8.268 ( 2.359 0.000 6.515) 6.929 8.776 ( 4.257 0.000 7.372) 8.513 9.554 ( 3.362 0.000 -1.864) 3.844 9.914 ( 2.614 0.000 0.380) 2.641 10.005 ( 0.214 0.000 -1.983) 1.994 10.207 ( -9.647 0.000 15.494) 18.252 10.307 ( 3.202 0.000 0.084) 3.203 10.579 ( -1.948 0.000 6.087) 6.391 10.631 ( 1.774 0.000 14.520) 14.628 11.026 ( -4.895 0.000 -11.597) 12.588 11.293 ( 8.672 0.000 -19.333) 21.189 11.909 ( -8.699 0.000 11.982) 14.807 12.630 ( -0.227 0.000 13.466) 13.468 12.840 ( 5.195 0.000 -7.486) 9.112 13.586 ( -4.550 0.000 -12.569) 13.367 14.170 ( 1.046 0.000 -14.088) 14.127 14.232 ( 0.077 0.000 -1.417) 1.419 14.603 ( -1.292 0.000 -10.904) 10.980 14.690 ( -1.904 0.000 -13.877) 14.007 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.168 0.000 12.251) 12.654 2.204 ( 7.089 0.000 9.362) 11.743 2.503 ( 2.855 0.000 -1.381) 3.171 2.725 ( 2.581 0.000 11.042) 11.339 2.859 ( 5.872 0.000 8.872) 10.639 3.274 ( 8.257 0.000 6.144) 10.292 3.422 ( -7.172 0.000 5.262) 8.895 3.693 ( 8.885 0.000 14.819) 17.278 3.824 ( -12.405 0.000 -3.575) 12.910 3.969 ( 4.174 0.000 5.924) 7.247 4.185 ( -13.710 0.000 13.570) 19.290 4.560 ( -2.823 0.000 14.343) 14.618 4.766 ( -1.742 0.000 22.796) 22.863 4.916 ( 15.519 0.000 -2.069) 15.656 5.004 ( -3.563 0.000 11.687) 12.218 5.351 ( -0.833 0.000 24.540) 24.554 5.522 ( -5.309 0.000 -6.532) 8.418 5.833 ( -3.963 0.000 -5.167) 6.512 6.980 ( -0.265 0.000 5.857) 5.863 7.163 ( -4.043 0.000 4.105) 5.761 7.488 ( 6.611 0.000 -14.931) 16.329 7.631 ( 3.490 0.000 -7.070) 7.885 7.891 ( 11.321 0.000 1.783) 11.461 8.326 ( 2.886 0.000 6.883) 7.464 8.898 ( 7.558 0.000 9.795) 12.373 9.653 ( 6.155 0.000 -1.657) 6.374 9.868 ( -10.456 0.000 11.064) 15.223 10.025 ( 1.804 0.000 -2.353) 2.965 10.103 ( 2.982 0.000 5.626) 6.367 10.323 ( -2.274 0.000 -0.858) 2.430 10.549 ( -1.087 0.000 2.545) 2.768 10.626 ( -2.298 0.000 13.371) 13.567 10.955 ( -1.234 0.000 -1.858) 2.230 11.518 ( 13.432 0.000 -14.519) 19.779 11.676 ( -13.528 0.000 11.454) 17.726 12.585 ( -4.946 0.000 12.296) 13.253 12.980 ( 8.141 0.000 -9.749) 12.701 13.481 ( -5.100 0.000 -15.731) 16.537 14.202 ( 2.063 0.000 -13.210) 13.370 14.237 ( 0.460 0.000 -4.705) 4.727 14.566 ( -2.284 0.000 -9.736) 10.001 14.631 ( -3.844 0.000 -12.809) 13.373 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 3.381 0.000 9.571) 10.150 2.216 ( -3.211 0.000 5.003) 5.945 2.710 ( 13.511 0.000 0.543) 13.522 2.796 ( 4.109 0.000 7.829) 8.841 2.999 ( 7.220 0.000 9.243) 11.728 3.313 ( -1.494 0.000 9.621) 9.737 3.408 ( 2.109 0.000 6.349) 6.690 3.548 ( -13.081 0.000 3.104) 13.444 3.783 ( 0.265 0.000 8.919) 8.923 3.894 ( -12.995 0.000 8.802) 15.696 4.158 ( 12.044 0.000 8.193) 14.566 4.488 ( -4.444 0.000 14.925) 15.573 4.743 ( 0.916 0.000 21.322) 21.341 4.924 ( -4.536 0.000 14.277) 14.980 5.220 ( 12.723 0.000 -0.465) 12.731 5.342 ( 1.116 0.000 15.919) 15.958 5.409 ( -5.384 0.000 -2.694) 6.020 5.708 ( -8.159 0.000 -2.006) 8.402 6.999 ( 1.926 0.000 7.094) 7.351 7.098 ( -2.642 0.000 6.140) 6.685 7.601 ( 4.386 0.000 -14.160) 14.824 7.674 ( 0.779 0.000 -10.216) 10.246 8.119 ( 10.453 0.000 2.553) 10.760 8.358 ( -0.409 0.000 5.870) 5.884 9.080 ( 10.456 0.000 13.039) 16.714 9.601 ( -14.098 0.000 15.925) 21.269 9.796 ( 7.708 0.000 -1.854) 7.928 10.050 ( -1.096 0.000 -1.970) 2.255 10.211 ( 5.592 0.000 -0.288) 5.600 10.265 ( -1.190 0.000 -0.800) 1.434 10.509 ( -2.739 0.000 0.325) 2.759 10.549 ( -4.767 0.000 11.194) 12.167 10.993 ( 4.879 0.000 5.842) 7.611 11.391 ( -13.720 0.000 10.383) 17.206 11.823 ( 15.943 0.000 -6.133) 17.082 12.417 ( -11.353 0.000 8.507) 14.187 13.151 ( 8.163 0.000 -12.623) 15.033 13.390 ( -4.061 0.000 -16.778) 17.263 14.249 ( 2.187 0.000 -13.005) 13.188 14.254 ( 1.179 0.000 -9.129) 9.205 14.516 ( -2.351 0.000 -8.340) 8.665 14.544 ( -4.174 0.000 -10.595) 11.387 ======================= Grid point 184 (65/120) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -3.613 0.000 6.837) 7.733 2.143 ( 3.613 0.000 6.837) 7.733 2.861 ( -0.428 0.000 2.664) 2.698 2.861 ( 0.428 0.000 2.664) 2.698 3.201 ( -14.160 0.000 3.537) 14.595 3.201 ( 14.160 0.000 3.537) 14.595 3.399 ( -7.572 0.000 15.888) 17.600 3.399 ( 7.572 0.000 15.888) 17.600 3.765 ( -0.164 0.000 4.012) 4.016 3.765 ( 0.164 0.000 4.012) 4.016 4.368 ( -7.902 0.000 12.878) 15.109 4.368 ( 7.902 0.000 12.878) 15.109 4.816 ( -5.562 0.000 17.246) 18.121 4.816 ( 5.562 0.000 17.246) 18.121 5.328 ( -2.443 0.000 5.190) 5.736 5.328 ( 2.443 0.000 5.190) 5.736 5.509 ( -11.135 0.000 0.405) 11.142 5.509 ( 11.135 0.000 0.405) 11.142 7.046 ( -2.503 0.000 7.223) 7.644 7.046 ( 2.503 0.000 7.223) 7.644 7.664 ( -1.811 0.000 -12.561) 12.691 7.664 ( 1.811 0.000 -12.561) 12.691 8.292 ( -6.142 0.000 4.017) 7.339 8.292 ( 6.142 0.000 4.017) 7.339 9.321 ( -13.078 0.000 15.492) 20.274 9.321 ( 13.078 0.000 15.492) 20.274 9.953 ( -7.218 0.000 -2.088) 7.514 9.953 ( 7.218 0.000 -2.088) 7.514 10.281 ( -0.153 0.000 -1.218) 1.228 10.281 ( 0.153 0.000 -1.218) 1.228 10.475 ( -0.931 0.000 5.695) 5.770 10.475 ( 0.931 0.000 5.695) 5.770 11.145 ( -10.011 0.000 9.020) 13.475 11.145 ( 10.011 0.000 9.020) 13.475 12.143 ( -15.092 0.000 1.899) 15.211 12.143 ( 15.092 0.000 1.899) 15.211 13.295 ( -5.776 0.000 -15.200) 16.261 13.295 ( 5.776 0.000 -15.200) 16.261 14.273 ( -0.144 0.000 -12.769) 12.770 14.273 ( 0.144 0.000 -12.769) 12.770 14.490 ( -0.521 0.000 -7.962) 7.979 14.490 ( 0.521 0.000 -7.962) 7.979 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.000 -1.012 14.549) 14.584 1.924 ( 0.000 1.576 17.165) 17.237 2.477 ( 0.000 -10.493 4.951) 11.603 2.593 ( 0.000 -8.630 13.967) 16.419 2.773 ( 0.000 8.306 -0.232) 8.309 3.281 ( 0.000 16.586 5.078) 17.346 3.322 ( 0.000 0.183 3.876) 3.880 3.804 ( 0.000 5.001 21.270) 21.850 4.026 ( 0.000 -3.445 5.273) 6.299 4.097 ( 0.000 -5.400 -5.610) 7.787 4.226 ( 0.000 -1.495 -2.406) 2.832 4.493 ( 0.000 1.333 13.795) 13.859 4.632 ( 0.000 -0.359 12.429) 12.435 4.959 ( 0.000 7.206 21.420) 22.600 4.995 ( 0.000 -9.583 15.595) 18.304 5.328 ( 0.000 -3.055 24.390) 24.580 5.715 ( 0.000 3.001 -6.005) 6.713 5.847 ( 0.000 -0.815 -10.772) 10.803 7.094 ( 0.000 2.939 7.316) 7.884 7.270 ( 0.000 1.585 -17.514) 17.586 7.372 ( 0.000 -3.703 8.872) 9.613 7.381 ( 0.000 -1.028 -10.823) 10.872 7.662 ( 0.000 5.175 1.897) 5.512 8.168 ( 0.000 -7.013 5.184) 8.721 8.875 ( 0.000 13.989 7.677) 15.957 9.575 ( 0.000 5.163 -0.773) 5.221 9.873 ( 0.000 -0.926 0.616) 1.112 9.937 ( 0.000 -7.133 1.368) 7.262 10.145 ( 0.000 -6.567 5.576) 8.615 10.389 ( 0.000 -13.779 11.758) 18.114 10.445 ( 0.000 6.527 5.926) 8.816 10.666 ( 0.000 0.611 6.138) 6.168 11.135 ( 0.000 2.221 -19.437) 19.563 11.192 ( 0.000 1.433 -11.393) 11.482 12.074 ( 0.000 7.057 9.665) 11.967 12.644 ( 0.000 2.006 13.038) 13.191 12.708 ( 0.000 -7.424 -5.058) 8.983 13.311 ( 0.000 -22.105 -1.888) 22.186 14.182 ( 0.000 2.312 -14.748) 14.928 14.488 ( 0.000 -7.634 -12.677) 14.798 14.520 ( 0.000 18.540 -7.863) 20.138 14.826 ( 0.000 6.216 -13.298) 14.679 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.12 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 3.215 -0.059 13.471) 13.850 2.027 ( 8.924 1.421 14.677) 17.236 2.477 ( 0.080 -7.067 5.444) 8.921 2.645 ( 4.169 -7.413 9.166) 12.504 2.761 ( -0.256 6.109 3.646) 7.119 3.195 ( -1.572 4.559 6.334) 7.961 3.474 ( 6.088 4.119 1.437) 7.489 3.681 ( -9.332 0.874 16.216) 18.730 3.944 ( -0.089 -0.397 0.606) 0.730 4.081 ( -3.122 6.095 5.979) 9.091 4.400 ( -3.577 -1.419 13.953) 14.474 4.490 ( 12.147 -4.750 -1.411) 13.119 4.612 ( -0.994 0.281 12.812) 12.854 4.908 ( -3.938 3.458 19.506) 20.198 4.999 ( -0.229 -4.774 15.054) 15.795 5.315 ( -1.173 -3.905 23.841) 24.187 5.667 ( -3.791 3.738 -6.237) 8.200 5.856 ( -0.119 -1.329 -8.345) 8.451 7.037 ( -3.418 2.243 4.932) 6.406 7.241 ( -5.926 -2.489 1.839) 6.685 7.366 ( 6.932 2.001 -14.206) 15.934 7.515 ( 6.342 -1.845 -4.724) 8.120 7.738 ( 7.118 4.691 2.004) 8.757 8.202 ( 3.146 -6.253 5.604) 8.967 8.905 ( 2.930 12.628 8.654) 15.587 9.613 ( 3.600 5.390 -0.473) 6.499 9.898 ( 0.637 -2.725 1.659) 3.253 9.947 ( 2.446 -5.936 3.296) 7.217 10.119 ( -5.431 -5.038 6.192) 9.656 10.285 ( -0.761 -5.467 3.735) 6.665 10.545 ( 2.872 0.138 9.931) 10.339 10.643 ( -1.957 -0.242 5.368) 5.718 11.075 ( -3.987 3.863 -8.428) 10.092 11.253 ( 4.287 -3.177 -16.595) 17.432 12.002 ( -6.281 8.808 8.367) 13.676 12.646 ( -0.725 1.048 11.551) 11.621 12.764 ( 5.545 -6.810 -5.384) 10.301 13.292 ( -1.551 -20.415 -3.776) 20.819 14.190 ( 0.831 2.112 -14.338) 14.517 14.445 ( -3.243 2.053 -11.120) 11.764 14.531 ( 0.217 8.130 -9.284) 12.342 14.800 ( -2.517 5.852 -13.042) 14.515 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.25 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 4.778 2.506 11.256) 12.482 2.231 ( 8.338 1.977 8.112) 11.800 2.493 ( 3.192 -2.058 3.034) 4.862 2.717 ( 3.124 -1.189 5.555) 6.483 2.823 ( 6.506 -1.200 9.966) 11.962 3.239 ( 5.447 -2.520 7.463) 9.576 3.417 ( -7.911 -1.174 5.207) 9.544 3.573 ( -4.983 -7.194 6.719) 11.033 3.975 ( -4.228 9.059 7.702) 12.620 4.054 ( 5.507 8.218 6.669) 11.931 4.208 ( -10.368 2.236 10.898) 15.207 4.559 ( -1.928 -0.111 13.343) 13.482 4.751 ( 2.342 -2.659 17.630) 17.982 4.899 ( 8.170 -2.059 4.006) 9.329 4.983 ( 0.053 -0.352 12.000) 12.005 5.288 ( -1.096 -5.091 20.771) 21.413 5.577 ( -5.099 4.413 -4.407) 8.056 5.816 ( -4.075 -1.787 -4.800) 6.544 6.992 ( -0.818 1.275 5.980) 6.169 7.141 ( -3.827 -2.115 4.487) 6.265 7.506 ( 6.362 1.745 -14.237) 15.691 7.622 ( 3.991 -0.954 -8.068) 9.052 7.928 ( 10.803 3.668 2.363) 11.650 8.280 ( 4.013 -4.413 6.232) 8.626 8.992 ( 5.495 9.192 11.080) 15.410 9.702 ( 3.105 1.654 4.055) 5.368 9.823 ( -6.543 -2.218 9.101) 11.426 10.030 ( 0.402 -1.641 -1.354) 2.165 10.059 ( 6.759 -0.523 0.337) 6.788 10.310 ( 0.198 -3.574 2.055) 4.128 10.553 ( -1.594 0.438 3.078) 3.494 10.593 ( -2.247 -1.139 8.974) 9.321 10.990 ( -4.100 2.459 0.273) 4.789 11.325 ( 0.804 -12.100 -6.573) 13.794 11.886 ( -2.536 14.184 1.393) 14.476 12.586 ( -5.513 -0.714 9.384) 10.907 12.915 ( 8.619 -5.660 -7.517) 12.760 13.266 ( -0.731 -15.717 -8.089) 17.692 14.217 ( 1.833 1.607 -13.480) 13.699 14.376 ( -3.286 3.921 -10.887) 12.029 14.523 ( -0.854 4.368 -9.403) 10.403 14.725 ( -4.686 5.010 -12.292) 14.076 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.38 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 4.339 4.963 8.073) 10.422 2.271 ( -2.422 5.147 3.422) 6.638 2.675 ( 12.014 -3.967 2.831) 12.965 2.798 ( 4.635 -0.765 3.039) 5.595 2.980 ( 7.665 -0.930 10.590) 13.106 3.299 ( -1.597 -1.724 9.799) 10.076 3.374 ( 1.251 -2.271 8.535) 8.920 3.408 ( -5.579 -9.520 6.623) 12.869 3.853 ( -6.822 3.185 6.837) 10.170 3.876 ( -14.047 0.235 10.352) 17.451 4.305 ( 10.015 11.571 7.301) 16.956 4.521 ( -1.986 3.181 13.389) 13.904 4.741 ( 0.515 -0.494 21.409) 21.420 4.901 ( -3.931 -2.408 14.535) 15.248 5.195 ( 12.281 -2.073 0.435) 12.463 5.292 ( 2.708 -3.720 12.576) 13.391 5.459 ( -6.182 3.858 -0.669) 7.317 5.690 ( -8.186 -1.876 -1.712) 8.571 7.000 ( 1.371 0.192 7.284) 7.414 7.081 ( -2.336 -1.586 6.469) 7.058 7.614 ( 4.083 1.188 -13.949) 14.583 7.674 ( 1.161 -0.108 -10.867) 10.930 8.144 ( 9.722 2.408 3.139) 10.496 8.338 ( 0.902 -2.041 5.808) 6.222 9.130 ( 8.197 4.870 13.898) 16.855 9.558 ( -11.638 -4.639 16.808) 20.964 9.868 ( 6.314 7.017 -3.231) 9.977 10.065 ( 0.699 1.693 -0.552) 1.913 10.202 ( 5.729 -0.885 -0.352) 5.808 10.296 ( 1.343 2.122 0.819) 2.642 10.470 ( -4.737 -1.850 1.511) 5.305 10.576 ( -1.983 1.584 8.577) 8.944 10.941 ( 0.575 -4.714 4.620) 6.626 11.228 ( -9.110 -13.243 6.168) 17.217 11.966 ( 9.275 11.341 -3.964) 15.177 12.423 ( -10.195 0.089 5.744) 11.702 13.088 ( 7.832 -5.513 -10.267) 14.041 13.257 ( -0.718 -10.561 -11.307) 15.489 14.261 ( 2.216 1.171 -12.917) 13.158 14.322 ( -1.838 2.985 -11.374) 11.901 14.506 ( -0.418 3.241 -9.255) 9.814 14.620 ( -5.343 4.130 -11.053) 12.953 ======================= Grid point 193 (70/120) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.755 5.877 5.014) 8.590 2.203 ( 3.755 5.877 5.014) 8.590 2.843 ( -2.847 -2.731 0.934) 4.054 2.843 ( 2.847 -2.731 0.934) 4.054 3.145 ( -10.908 -4.338 6.713) 13.523 3.145 ( 10.908 -4.338 6.713) 13.523 3.401 ( -7.108 0.325 16.926) 18.361 3.401 ( 7.108 0.325 16.926) 18.361 3.732 ( -2.752 -2.326 3.819) 5.250 3.732 ( 2.752 -2.326 3.819) 5.250 4.457 ( -4.852 7.587 12.130) 15.107 4.457 ( 4.852 7.587 12.130) 15.107 4.804 ( -5.007 -1.392 17.482) 18.238 4.804 ( 5.007 -1.392 17.482) 18.238 5.327 ( -4.712 0.197 4.386) 6.441 5.327 ( 4.712 0.197 4.386) 6.441 5.491 ( -10.890 -1.733 0.638) 11.045 5.491 ( 10.890 -1.733 0.638) 11.045 7.037 ( -2.057 -0.818 7.500) 7.820 7.037 ( 2.057 -0.818 7.500) 7.820 7.670 ( -1.508 0.578 -12.818) 12.919 7.670 ( 1.508 0.578 -12.818) 12.919 8.298 ( -4.963 0.471 4.434) 6.672 8.298 ( 4.963 0.471 4.434) 6.672 9.325 ( -10.853 0.268 15.913) 19.264 9.325 ( 10.853 0.268 15.913) 19.264 9.998 ( -5.969 3.980 -2.199) 7.504 9.998 ( 5.969 3.980 -2.199) 7.504 10.300 ( -4.309 2.266 -0.166) 4.872 10.300 ( 4.309 2.266 -0.166) 4.872 10.477 ( -6.154 0.544 5.056) 7.983 10.477 ( 6.154 0.544 5.056) 7.983 11.037 ( -8.202 -10.204 7.556) 15.116 11.037 ( 8.202 -10.204 7.556) 15.116 12.193 ( -11.933 4.385 0.496) 12.723 12.193 ( 11.933 4.385 0.496) 12.723 13.212 ( -4.077 -7.049 -11.888) 14.409 13.212 ( 4.077 -7.049 -11.888) 14.409 14.296 ( -1.182 1.599 -12.360) 12.518 14.296 ( 1.182 1.599 -12.360) 12.518 14.529 ( -3.019 3.447 -9.672) 10.703 14.529 ( 3.019 3.447 -9.672) 10.703 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 1.023 12.570) 12.611 1.938 ( 0.000 -0.819 11.850) 11.878 2.340 ( 0.000 -1.391 15.707) 15.768 2.417 ( 0.000 -7.755 16.954) 18.643 3.008 ( 0.000 13.645 -3.450) 14.074 3.248 ( 0.000 -8.753 -2.810) 9.194 3.604 ( 0.000 14.863 5.450) 15.831 3.803 ( 0.000 -3.655 6.616) 7.559 3.964 ( 0.000 -4.641 7.287) 8.639 3.982 ( 0.000 -5.190 -0.527) 5.217 4.322 ( 0.000 11.503 12.947) 17.319 4.491 ( 0.000 -2.899 13.442) 13.751 4.636 ( 0.000 1.495 13.261) 13.345 4.760 ( 0.000 -11.745 17.526) 21.097 5.118 ( 0.000 7.892 18.882) 20.465 5.250 ( 0.000 -5.151 19.344) 20.018 5.774 ( 0.000 2.729 -7.354) 7.844 5.820 ( 0.000 -1.882 -9.553) 9.736 7.173 ( 0.000 4.858 7.614) 9.031 7.273 ( 0.000 -4.385 3.724) 5.753 7.316 ( 0.000 1.312 -10.043) 10.129 7.353 ( 0.000 -1.767 -11.994) 12.123 7.803 ( 0.000 8.755 2.249) 9.040 7.993 ( 0.000 -9.882 3.448) 10.466 9.249 ( 0.000 22.334 9.841) 24.406 9.671 ( 0.000 -11.085 8.364) 13.886 9.718 ( 0.000 -0.815 1.127) 1.390 9.826 ( 0.000 -4.408 1.658) 4.710 10.060 ( 0.000 -0.851 4.257) 4.341 10.137 ( 0.000 -8.944 5.575) 10.539 10.561 ( 0.000 4.999 2.638) 5.652 10.640 ( 0.000 -2.861 2.380) 3.722 11.184 ( 0.000 2.322 -13.777) 13.972 11.210 ( 0.000 -0.063 -9.834) 9.834 12.266 ( 0.000 11.683 4.510) 12.524 12.508 ( 0.000 -11.903 -0.905) 11.937 12.726 ( 0.000 6.652 10.109) 12.102 12.934 ( 0.000 -14.825 5.340) 15.757 14.248 ( 0.000 4.310 -14.243) 14.881 14.351 ( 0.000 -6.079 -13.490) 14.797 14.808 ( 0.000 9.538 -12.106) 15.412 14.896 ( 0.000 0.172 -13.211) 13.212 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.12 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 5.454 2.606 11.340) 12.850 2.025 ( 7.881 -2.205 10.480) 13.297 2.383 ( 3.973 -0.078 14.276) 14.819 2.474 ( 5.186 -7.905 13.624) 16.583 2.972 ( -2.960 12.690 -1.395) 13.106 3.188 ( -4.273 -6.874 -0.614) 8.117 3.537 ( -5.384 3.875 4.933) 8.266 3.635 ( -10.280 -4.809 7.726) 13.730 4.049 ( 11.435 10.012 3.955) 15.705 4.245 ( 5.996 0.139 14.770) 15.941 4.294 ( 3.028 0.038 3.376) 4.535 4.420 ( -5.519 -3.741 9.595) 11.684 4.638 ( 0.764 3.191 14.199) 14.574 4.775 ( 0.965 -10.111 16.471) 19.351 5.086 ( -2.626 7.583 18.042) 19.746 5.221 ( -2.499 -5.728 18.927) 19.932 5.745 ( -2.514 3.886 -6.698) 8.141 5.814 ( -1.098 -2.895 -7.614) 8.220 7.098 ( -4.469 3.744 4.686) 7.480 7.176 ( -5.433 -3.845 3.500) 7.520 7.415 ( 6.986 2.739 -11.363) 13.617 7.469 ( 6.878 -2.640 -7.904) 10.805 7.868 ( 6.120 8.146 2.697) 10.540 8.044 ( 4.720 -9.048 3.957) 10.945 9.243 ( -0.472 20.133 11.103) 22.996 9.634 ( -3.612 -15.750 11.563) 19.870 9.771 ( 5.313 4.429 0.751) 6.958 9.877 ( 4.699 -3.784 1.190) 6.150 10.068 ( 0.146 0.330 1.937) 1.970 10.141 ( 1.306 -6.658 3.292) 7.541 10.579 ( 1.016 2.259 5.360) 5.905 10.621 ( -1.710 -1.820 2.370) 3.443 11.145 ( -3.681 2.926 -7.838) 9.140 11.195 ( -1.927 -2.491 -11.104) 11.542 12.231 ( -2.815 13.627 2.403) 14.120 12.511 ( -0.312 -13.441 -1.859) 13.572 12.757 ( 3.239 6.082 8.270) 10.765 12.947 ( 1.465 -13.389 4.083) 14.074 14.251 ( 0.294 3.954 -13.956) 14.509 14.345 ( -0.576 -5.522 -13.284) 14.397 14.777 ( -2.881 9.167 -11.941) 15.327 14.865 ( -3.027 -0.017 -13.004) 13.352 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.25 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.997 5.696 8.617) 13.063 2.223 ( 10.371 -4.097 6.169) 12.744 2.476 ( 4.505 2.907 8.854) 10.350 2.598 ( 6.107 -8.015 6.622) 12.057 2.939 ( 1.338 10.126 5.354) 11.532 3.140 ( 0.588 -8.510 3.705) 9.300 3.404 ( -6.707 1.242 7.942) 10.469 3.462 ( -7.534 -4.107 7.868) 11.642 4.119 ( -9.410 5.374 11.613) 15.884 4.171 ( -10.814 0.632 14.316) 17.952 4.330 ( 10.117 10.588 2.425) 14.844 4.519 ( 5.643 -6.249 6.346) 10.543 4.701 ( 4.670 1.107 15.203) 15.943 4.799 ( 2.205 -6.743 12.797) 14.632 5.050 ( 0.519 5.781 13.684) 14.864 5.174 ( -1.203 -6.267 16.914) 18.078 5.673 ( -4.790 4.884 -4.204) 8.029 5.760 ( -4.375 -3.749 -4.357) 7.224 7.030 ( -2.040 2.542 5.985) 6.815 7.087 ( -3.161 -3.017 5.378) 6.929 7.549 ( 5.791 2.358 -12.498) 13.975 7.593 ( 4.984 -1.937 -10.257) 11.567 8.030 ( 9.158 6.393 3.603) 11.735 8.165 ( 6.596 -6.762 4.961) 10.670 9.239 ( 0.313 14.875 13.524) 20.107 9.539 ( -5.351 -14.080 15.184) 21.388 9.916 ( 7.727 6.756 -0.132) 10.265 9.995 ( 5.932 -1.633 -0.134) 6.154 10.084 ( 3.085 2.789 -0.389) 4.177 10.190 ( 3.067 -6.905 2.198) 7.868 10.566 ( -2.384 1.236 2.725) 3.826 10.591 ( -0.921 -0.525 7.460) 7.535 11.033 ( -7.400 2.214 -1.285) 7.830 11.119 ( -5.858 -7.538 -5.706) 11.122 12.185 ( -1.046 15.533 -2.157) 15.716 12.472 ( -3.545 -11.884 -1.362) 12.476 12.861 ( 6.686 2.610 1.656) 7.366 12.998 ( 3.403 -10.445 0.351) 10.991 14.263 ( 0.965 2.946 -13.211) 13.570 14.331 ( -0.653 -3.838 -12.653) 13.239 14.700 ( -4.351 7.792 -11.721) 14.731 14.779 ( -5.179 -0.223 -12.549) 13.577 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.38 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 6.002 8.172 4.132) 10.949 2.367 ( 2.099 0.971 -0.143) 2.317 2.591 ( 8.006 -0.831 5.918) 9.991 2.701 ( 4.139 -8.069 1.749) 9.236 3.031 ( 5.156 5.939 10.191) 12.873 3.181 ( -0.769 -8.604 6.915) 11.065 3.323 ( -0.510 0.127 12.904) 12.915 3.341 ( 0.510 -1.254 11.586) 11.665 3.882 ( -13.500 1.276 8.644) 16.081 3.898 ( -13.344 0.122 8.478) 15.810 4.521 ( 6.877 8.551 9.604) 14.583 4.595 ( 3.317 2.283 8.260) 9.189 4.726 ( -0.813 0.800 20.882) 20.913 4.821 ( -2.038 -5.768 14.615) 15.844 5.171 ( 9.946 0.437 4.601) 10.968 5.216 ( 6.165 -3.575 9.648) 11.995 5.546 ( -7.520 4.678 -1.069) 8.921 5.633 ( -8.092 -3.792 -1.322) 9.033 7.012 ( 0.015 1.105 7.485) 7.566 7.043 ( -1.406 -1.936 7.150) 7.539 7.642 ( 3.267 1.471 -13.343) 13.816 7.666 ( 2.150 -0.837 -12.241) 12.456 8.207 ( 7.456 3.745 4.424) 9.444 8.281 ( 4.071 -3.477 5.434) 7.628 9.263 ( 2.165 8.068 15.517) 17.623 9.428 ( -5.371 -8.003 16.547) 19.150 10.012 ( 2.635 5.897 -3.869) 7.529 10.094 ( 1.599 -1.515 -0.501) 2.259 10.210 ( 8.261 4.146 2.321) 9.530 10.297 ( 8.476 -2.598 2.738) 9.278 10.499 ( -3.989 5.042 2.019) 6.739 10.591 ( 1.218 -1.459 8.173) 8.392 10.854 ( -9.317 -1.674 1.190) 9.541 10.959 ( -9.318 -11.642 1.748) 15.014 12.201 ( 2.560 11.453 -3.988) 12.394 12.380 ( -5.149 -5.559 -1.258) 7.681 13.000 ( 6.145 -1.280 -4.317) 7.618 13.067 ( 2.722 -7.361 -4.195) 8.899 14.290 ( 1.634 1.714 -12.311) 12.537 14.324 ( -0.080 -1.451 -11.732) 11.822 14.617 ( -3.328 5.271 -11.818) 13.361 14.668 ( -5.244 0.211 -12.150) 13.235 ======================= Grid point 202 (75/120) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -2.871 6.886 0.182) 7.463 2.347 ( 2.871 6.886 0.182) 7.463 2.731 ( -3.081 -6.690 1.479) 7.512 2.731 ( 3.081 -6.690 1.479) 7.512 3.091 ( -3.784 -0.873 10.809) 11.486 3.091 ( 3.784 -0.873 10.809) 11.486 3.409 ( -3.208 0.301 17.816) 18.105 3.409 ( 3.208 0.301 17.816) 18.105 3.698 ( -2.039 -0.908 3.227) 3.924 3.698 ( 2.039 -0.908 3.227) 3.924 4.613 ( -2.527 6.973 10.713) 13.029 4.613 ( 2.527 6.973 10.713) 13.029 4.750 ( -3.714 -3.991 18.616) 19.398 4.750 ( 3.714 -3.991 18.616) 19.398 5.342 ( -5.202 1.084 3.161) 6.183 5.342 ( 5.202 1.084 3.161) 6.183 5.450 ( -7.168 -1.877 1.051) 7.484 5.450 ( 7.168 -1.877 1.051) 7.484 7.022 ( -0.805 -0.497 7.962) 8.018 7.022 ( 0.806 -0.497 7.962) 8.018 7.681 ( -0.603 0.350 -13.262) 13.281 7.681 ( 0.603 0.350 -13.262) 13.281 8.307 ( -1.894 0.308 5.110) 5.459 8.307 ( 1.894 0.308 5.110) 5.459 9.328 ( -4.219 0.055 16.519) 17.049 9.328 ( 4.219 0.055 16.519) 17.049 10.068 ( -2.756 2.033 -2.437) 4.204 10.068 ( 2.756 2.033 -2.437) 4.204 10.363 ( -5.662 2.503 2.791) 6.791 10.363 ( 5.662 2.503 2.791) 6.791 10.536 ( -8.840 6.942 4.370) 12.059 10.536 ( 8.840 6.942 4.370) 12.059 10.787 ( -5.541 -13.350 3.799) 14.946 10.787 ( 5.541 -13.350 3.799) 14.946 12.277 ( -4.648 2.998 -2.611) 6.116 12.277 ( 4.648 2.998 -2.611) 6.116 13.083 ( -1.604 -4.353 -6.358) 7.871 13.083 ( 1.604 -4.353 -6.358) 7.871 14.318 ( -0.806 0.585 -11.514) 11.557 14.318 ( 0.806 0.585 -11.514) 11.557 14.593 ( -1.485 2.097 -12.017) 12.289 14.593 ( 1.485 2.097 -12.017) 12.289 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 0.000 7.834) 7.834 2.191 ( 0.000 0.000 8.021) 8.021 2.451 ( 0.000 0.000 -5.467) 5.467 2.929 ( 0.000 0.000 10.629) 10.629 2.952 ( 0.000 0.000 12.396) 12.396 3.163 ( 0.000 0.000 4.169) 4.169 3.403 ( 0.000 0.000 2.767) 2.767 3.993 ( 0.000 0.000 -3.298) 3.298 3.996 ( 0.000 0.000 -6.702) 6.702 4.128 ( 0.000 0.000 2.748) 2.748 4.335 ( 0.000 0.000 18.077) 18.077 4.754 ( 0.000 0.000 11.460) 11.460 4.827 ( 0.000 0.000 6.308) 6.308 5.260 ( 0.000 0.000 2.964) 2.964 5.308 ( 0.000 0.000 17.451) 17.451 5.604 ( 0.000 0.000 1.740) 1.740 5.630 ( 0.000 0.000 -10.539) 10.539 5.932 ( 0.000 0.000 23.701) 23.701 6.930 ( 0.000 0.000 -13.176) 13.176 7.189 ( 0.000 0.000 -8.963) 8.963 7.199 ( 0.000 0.000 5.972) 5.972 7.607 ( 0.000 0.000 9.750) 9.750 7.638 ( 0.000 0.000 1.280) 1.280 8.325 ( 0.000 0.000 2.170) 2.170 8.817 ( 0.000 0.000 2.104) 2.104 9.484 ( 0.000 0.000 -1.468) 1.468 9.871 ( 0.000 0.000 -0.971) 0.971 9.967 ( 0.000 0.000 -2.924) 2.924 10.250 ( 0.000 0.000 -0.599) 0.599 10.597 ( 0.000 0.000 11.198) 11.198 10.659 ( 0.000 0.000 -21.080) 21.080 10.745 ( 0.000 0.000 5.752) 5.752 10.947 ( 0.000 0.000 18.806) 18.806 10.956 ( 0.000 0.000 -6.717) 6.717 12.238 ( 0.000 0.000 10.836) 10.836 12.686 ( 0.000 0.000 -3.340) 3.340 12.884 ( 0.000 0.000 11.341) 11.341 13.373 ( 0.000 0.000 -14.623) 14.623 13.873 ( 0.000 0.000 -13.029) 13.029 14.228 ( 0.000 0.000 -0.184) 0.184 14.403 ( 0.000 0.000 -9.279) 9.279 14.419 ( 0.000 0.000 -13.797) 13.797 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.018 0.000 7.281) 7.352 2.245 ( 4.948 0.000 6.655) 8.293 2.431 ( -1.574 0.000 -4.807) 5.058 2.945 ( -0.566 0.000 11.651) 11.665 2.962 ( 3.260 0.000 10.626) 11.115 3.215 ( 4.930 0.000 3.347) 5.958 3.470 ( 4.851 0.000 1.703) 5.142 3.843 ( -6.909 0.000 -0.381) 6.920 3.936 ( -5.459 0.000 -2.586) 6.041 4.121 ( -1.540 0.000 6.434) 6.616 4.576 ( 17.458 0.000 8.700) 19.506 4.686 ( -7.445 0.000 11.855) 13.999 4.822 ( -0.180 0.000 8.007) 8.009 5.228 ( -2.754 0.000 3.095) 4.143 5.271 ( -3.390 0.000 17.300) 17.629 5.477 ( -5.469 0.000 -6.609) 8.579 5.747 ( 4.486 0.000 -1.785) 4.828 5.906 ( -2.616 0.000 22.991) 23.140 6.962 ( 3.054 0.000 -9.825) 10.289 7.188 ( -0.060 0.000 -6.739) 6.739 7.223 ( 2.214 0.000 3.287) 3.963 7.596 ( -1.040 0.000 6.991) 7.068 7.716 ( 7.365 0.000 1.025) 7.436 8.355 ( 2.691 0.000 2.232) 3.497 8.874 ( 5.479 0.000 2.479) 6.014 9.516 ( 3.034 0.000 -1.794) 3.525 9.910 ( 3.600 0.000 -0.577) 3.646 9.964 ( 0.357 0.000 -1.904) 1.937 10.284 ( 1.342 0.000 -2.420) 2.767 10.489 ( -9.355 0.000 11.799) 15.058 10.607 ( -2.460 0.000 -7.162) 7.573 10.843 ( 6.038 0.000 -3.358) 6.909 10.966 ( 0.660 0.000 17.867) 17.879 10.998 ( 6.367 0.000 -7.709) 9.999 12.135 ( -9.721 0.000 9.777) 13.787 12.726 ( 3.722 0.000 -3.934) 5.416 12.881 ( -0.701 0.000 11.322) 11.343 13.300 ( -6.656 0.000 -15.373) 16.752 13.895 ( 2.042 0.000 -12.483) 12.649 14.199 ( -2.580 0.000 -2.048) 3.294 14.407 ( 0.264 0.000 -7.783) 7.788 14.410 ( -0.978 0.000 -13.200) 13.237 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.234 0.000 5.896) 6.024 2.324 ( -0.228 0.000 2.615) 2.625 2.461 ( 7.607 0.000 -2.475) 8.000 2.932 ( -0.633 0.000 8.897) 8.919 3.060 ( 6.314 0.000 10.349) 12.124 3.349 ( 7.686 0.000 2.052) 7.955 3.487 ( -2.587 0.000 2.401) 3.529 3.783 ( -9.189 0.000 -0.439) 9.200 3.875 ( 7.733 0.000 3.107) 8.333 4.088 ( 0.065 0.000 4.701) 4.701 4.446 ( -15.612 0.000 11.472) 19.373 4.808 ( -1.715 0.000 9.877) 10.025 4.941 ( 17.654 0.000 6.041) 18.659 5.186 ( -0.812 0.000 5.535) 5.594 5.188 ( -4.288 0.000 16.637) 17.181 5.394 ( -2.855 0.000 -6.172) 6.800 5.785 ( -0.781 0.000 0.809) 1.124 5.824 ( -5.391 0.000 20.794) 21.481 7.045 ( 4.785 0.000 -1.861) 5.134 7.192 ( 0.578 0.000 -1.833) 1.922 7.283 ( 3.495 0.000 -3.034) 4.628 7.565 ( -1.991 0.000 1.219) 2.335 7.913 ( 11.220 0.000 0.533) 11.233 8.414 ( 2.406 0.000 1.944) 3.094 9.033 ( 9.963 0.000 3.819) 10.670 9.602 ( 5.217 0.000 -2.728) 5.888 9.989 ( 2.587 0.000 2.011) 3.277 9.995 ( 2.422 0.000 -0.576) 2.490 10.260 ( -2.931 0.000 -4.669) 5.512 10.273 ( -10.050 0.000 9.636) 13.923 10.562 ( -2.332 0.000 -1.753) 2.917 10.938 ( -3.681 0.000 16.804) 17.203 10.951 ( 5.673 0.000 0.956) 5.753 11.273 ( 19.180 0.000 -8.566) 21.006 11.873 ( -15.209 0.000 7.416) 16.920 12.810 ( -8.007 0.000 9.242) 12.228 12.824 ( 5.669 0.000 -5.551) 7.934 13.157 ( -5.490 0.000 -15.133) 16.098 13.946 ( 2.630 0.000 -11.834) 12.122 14.136 ( -3.358 0.000 -5.194) 6.185 14.381 ( -1.694 0.000 -11.242) 11.368 14.405 ( -0.597 0.000 -5.793) 5.823 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.174 0.000 4.315) 4.472 2.285 ( -2.326 0.000 1.842) 2.967 2.673 ( 11.116 0.000 -3.243) 11.580 2.915 ( -1.330 0.000 3.827) 4.051 3.196 ( 6.214 0.000 9.460) 11.319 3.468 ( -0.803 0.000 2.932) 3.040 3.487 ( 4.737 0.000 7.346) 8.741 3.624 ( -1.530 0.000 2.296) 2.759 3.901 ( -4.503 0.000 2.485) 5.143 4.090 ( -18.179 0.000 9.512) 20.517 4.262 ( 14.615 0.000 2.851) 14.891 4.735 ( -5.908 0.000 9.156) 10.897 5.114 ( -2.437 0.000 14.839) 15.038 5.159 ( -2.904 0.000 7.206) 7.769 5.272 ( 14.448 0.000 5.265) 15.377 5.391 ( 3.437 0.000 1.780) 3.871 5.693 ( -7.222 0.000 16.814) 18.299 5.717 ( -5.780 0.000 2.662) 6.364 7.141 ( 4.186 0.000 5.793) 7.147 7.207 ( 0.547 0.000 3.393) 3.437 7.359 ( 3.909 0.000 -8.872) 9.695 7.513 ( -3.152 0.000 -4.535) 5.523 8.144 ( 10.875 0.000 0.211) 10.878 8.425 ( -1.803 0.000 1.023) 2.073 9.269 ( 13.076 0.000 5.974) 14.376 9.702 ( 2.426 0.000 -2.936) 3.808 9.907 ( -8.076 0.000 10.165) 12.983 10.012 ( -2.456 0.000 -2.033) 3.188 10.200 ( 2.067 0.000 -0.675) 2.174 10.229 ( 0.973 0.000 -2.191) 2.397 10.535 ( 0.979 0.000 2.134) 2.347 10.816 ( -8.063 0.000 14.663) 16.733 11.090 ( 8.056 0.000 3.271) 8.695 11.555 ( -15.115 0.000 5.264) 16.006 11.708 ( 22.378 0.000 -4.938) 22.917 12.542 ( -17.142 0.000 2.334) 17.300 12.943 ( 5.652 0.000 -7.555) 9.435 13.094 ( -1.877 0.000 -10.454) 10.622 13.993 ( 1.937 0.000 -11.908) 12.065 14.072 ( -2.738 0.000 -8.319) 8.758 14.352 ( -0.822 0.000 -7.947) 7.989 14.383 ( -1.446 0.000 -4.780) 4.994 ======================= Grid point 229 (80/120) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.626 0.000 2.966) 3.383 2.244 ( 1.626 0.000 2.966) 3.383 2.853 ( -5.716 0.000 -2.235) 6.138 2.853 ( 5.716 0.000 -2.235) 6.138 3.326 ( -7.699 0.000 7.803) 10.962 3.326 ( 7.699 0.000 7.803) 10.962 3.664 ( -6.435 0.000 9.662) 11.609 3.664 ( 6.435 0.000 9.662) 11.609 3.811 ( -1.348 0.000 1.080) 1.727 3.811 ( 1.348 0.000 1.080) 1.727 4.550 ( -12.328 0.000 5.442) 13.475 4.550 ( 12.328 0.000 5.442) 13.475 5.102 ( -1.471 0.000 10.519) 10.622 5.102 ( 1.471 0.000 10.519) 10.622 5.481 ( -0.390 0.000 8.607) 8.616 5.481 ( 0.390 0.000 8.607) 8.616 5.584 ( -2.517 0.000 6.753) 7.206 5.584 ( 2.517 0.000 6.753) 7.206 7.200 ( -1.509 0.000 7.346) 7.499 7.200 ( 1.509 0.000 7.346) 7.499 7.440 ( -3.961 0.000 -9.131) 9.953 7.440 ( 3.961 0.000 -9.131) 9.953 8.332 ( -7.228 0.000 0.312) 7.235 8.332 ( 7.228 0.000 0.312) 7.235 9.548 ( -13.557 0.000 6.885) 15.205 9.548 ( 13.557 0.000 6.885) 15.205 9.915 ( -5.541 0.000 -1.169) 5.663 9.915 ( 5.541 0.000 -1.169) 5.663 10.242 ( -0.954 0.000 -2.233) 2.428 10.242 ( 0.954 0.000 -2.233) 2.428 10.637 ( -8.395 0.000 9.617) 12.766 10.637 ( 8.395 0.000 9.617) 12.766 11.284 ( -11.344 0.000 4.251) 12.114 11.284 ( 11.344 0.000 4.251) 12.114 12.151 ( -20.844 0.000 -1.492) 20.898 12.151 ( 20.844 0.000 -1.492) 20.898 13.041 ( -3.751 0.000 -8.919) 9.675 13.041 ( 3.751 0.000 -8.919) 9.676 14.027 ( -1.706 0.000 -10.997) 11.128 14.027 ( 1.706 0.000 -10.997) 11.128 14.355 ( -1.028 0.000 -5.265) 5.364 14.355 ( 1.028 0.000 -5.265) 5.364 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 -0.732 8.545) 8.577 2.176 ( 0.000 -1.428 7.746) 7.876 2.485 ( 0.000 2.837 -3.230) 4.299 2.858 ( 0.000 -8.109 10.783) 13.492 2.904 ( 0.000 1.728 11.813) 11.938 3.348 ( 0.000 14.360 1.741) 14.465 3.370 ( 0.000 -3.794 2.953) 4.808 3.923 ( 0.000 -4.295 -0.194) 4.299 3.974 ( 0.000 -2.026 -5.568) 5.925 4.148 ( 0.000 -3.687 -3.649) 5.187 4.413 ( 0.000 10.231 21.314) 23.643 4.758 ( 0.000 0.289 11.104) 11.108 4.827 ( 0.000 0.143 6.670) 6.672 5.221 ( 0.000 -4.677 5.746) 7.408 5.355 ( 0.000 4.236 15.424) 15.995 5.554 ( 0.000 -3.999 1.365) 4.226 5.643 ( 0.000 1.463 -8.112) 8.243 5.899 ( 0.000 -3.293 20.331) 20.596 6.959 ( 0.000 2.776 -12.816) 13.113 7.157 ( 0.000 -2.190 -7.984) 8.279 7.250 ( 0.000 3.951 5.035) 6.400 7.563 ( 0.000 -3.676 9.381) 10.075 7.694 ( 0.000 5.060 1.388) 5.247 8.240 ( 0.000 -7.949 2.030) 8.204 8.986 ( 0.000 16.261 3.305) 16.594 9.554 ( 0.000 6.401 -1.255) 6.523 9.865 ( 0.000 -0.586 -0.848) 1.031 9.946 ( 0.000 -2.239 -0.939) 2.428 10.211 ( 0.000 -4.576 0.786) 4.643 10.493 ( 0.000 -2.384 -5.764) 6.238 10.584 ( 0.000 -19.237 6.044) 20.164 10.723 ( 0.000 -5.644 0.534) 5.669 10.840 ( 0.000 10.761 -4.469) 11.652 11.143 ( 0.000 5.596 7.067) 9.014 12.274 ( 0.000 3.585 9.418) 10.077 12.639 ( 0.000 -4.544 -1.994) 4.962 12.884 ( 0.000 0.220 10.571) 10.574 13.217 ( 0.000 -12.180 -7.075) 14.086 13.884 ( 0.000 2.111 -13.808) 13.968 14.236 ( 0.000 -8.536 -11.819) 14.579 14.390 ( 0.000 11.934 -5.034) 12.952 14.567 ( 0.000 6.439 -11.598) 13.265 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.12 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 1.529 -0.429 7.825) 7.984 2.236 ( 4.998 -1.150 5.980) 7.878 2.470 ( -1.173 3.462 -3.378) 4.978 2.859 ( 0.075 -7.618 9.687) 12.324 2.941 ( 3.725 1.022 12.140) 12.740 3.286 ( -0.534 2.251 3.363) 4.082 3.490 ( 4.475 3.284 1.105) 5.660 3.796 ( -8.736 -4.017 0.018) 9.616 3.943 ( 2.221 2.029 -0.710) 3.091 4.219 ( -0.771 6.390 0.401) 6.449 4.548 ( 12.977 -1.563 12.272) 17.929 4.688 ( -7.520 0.082 11.757) 13.956 4.829 ( 0.878 0.988 8.401) 8.504 5.174 ( -3.753 -4.987 5.444) 8.282 5.317 ( -3.083 3.862 13.443) 14.322 5.506 ( -2.752 2.297 -1.547) 3.904 5.700 ( 2.729 -3.540 -0.499) 4.498 5.880 ( -1.905 -2.808 18.095) 18.410 6.987 ( 2.615 2.338 -9.509) 10.136 7.160 ( 0.373 -2.064 -6.495) 6.825 7.268 ( 1.739 3.804 3.182) 5.256 7.559 ( -0.487 -3.414 6.764) 7.593 7.768 ( 7.040 4.996 1.079) 8.700 8.279 ( 3.574 -7.132 2.140) 8.259 9.029 ( 4.220 14.987 3.671) 15.997 9.590 ( 3.394 6.946 -1.636) 7.902 9.906 ( 3.718 -0.369 -0.284) 3.747 9.965 ( 2.080 -0.574 -0.718) 2.274 10.193 ( -4.332 -8.982 -0.423) 9.982 10.375 ( -2.887 -6.985 4.014) 8.558 10.673 ( -4.468 -4.014 -0.629) 6.040 10.737 ( 4.191 -5.164 5.917) 8.902 10.884 ( 8.563 2.335 -9.565) 13.049 11.132 ( -1.473 4.513 7.137) 8.571 12.179 ( -8.671 4.489 8.220) 12.764 12.662 ( 1.946 -6.279 -2.868) 7.172 12.887 ( -0.038 0.728 10.286) 10.312 13.169 ( -4.136 -9.994 -8.012) 13.460 13.904 ( 1.853 1.789 -13.150) 13.400 14.219 ( -1.663 -6.248 -10.749) 12.544 14.378 ( -1.084 9.506 -6.018) 11.303 14.551 ( -1.656 5.900 -10.881) 12.488 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.25 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 2.030 0.970 5.489) 5.932 2.329 ( 1.687 -0.095 1.859) 2.512 2.485 ( 5.115 2.459 -2.079) 6.044 2.863 ( 0.384 -6.390 7.096) 9.557 3.054 ( 7.059 0.580 11.792) 13.756 3.339 ( 5.502 -2.340 3.233) 6.797 3.488 ( -2.682 0.626 2.678) 3.841 3.655 ( -6.616 -5.773 2.927) 9.256 4.078 ( 7.596 12.781 -0.019) 14.868 4.142 ( -2.617 5.180 3.508) 6.781 4.446 ( -15.680 -0.149 11.145) 19.238 4.753 ( 2.656 -5.637 6.884) 9.285 4.941 ( 12.539 0.337 8.683) 15.256 5.120 ( -0.904 -3.774 8.931) 9.738 5.249 ( -3.107 3.981 11.822) 12.856 5.453 ( -2.470 4.802 -1.257) 5.544 5.708 ( -2.156 -5.705 8.126) 10.160 5.823 ( -3.732 -1.621 11.096) 11.819 7.059 ( 4.236 1.362 -1.750) 4.782 7.175 ( 1.050 -1.519 -1.863) 2.623 7.316 ( 2.784 3.013 -2.485) 4.796 7.540 ( -1.382 -2.446 0.872) 2.942 7.958 ( 10.881 4.455 0.789) 11.784 8.363 ( 3.966 -4.885 2.126) 6.642 9.151 ( 7.620 11.371 4.829) 14.515 9.680 ( 5.061 7.430 -3.125) 9.518 9.990 ( -5.209 -3.040 -0.285) 6.038 10.002 ( 5.097 1.416 2.945) 6.054 10.088 ( 1.739 -7.788 2.536) 8.373 10.351 ( -2.344 -0.273 2.760) 3.631 10.565 ( -5.118 -1.265 -0.745) 5.324 10.771 ( 1.887 -4.232 6.479) 7.966 11.073 ( -4.201 1.752 6.581) 8.001 11.157 ( 14.420 -9.331 -6.114) 18.231 11.967 ( -10.286 8.601 4.606) 14.177 12.669 ( -3.691 -10.485 -2.293) 11.350 12.882 ( 0.675 2.541 4.752) 5.430 13.090 ( -2.632 -5.025 -8.287) 10.043 13.952 ( 2.701 1.393 -12.150) 12.525 14.173 ( -2.614 -1.381 -8.801) 9.284 14.351 ( -1.324 4.502 -7.643) 8.969 14.501 ( -3.139 4.425 -9.106) 10.600 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.38 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.516 1.990 2.976) 3.888 2.308 ( -2.123 2.007 0.295) 2.936 2.661 ( 9.878 -1.094 -2.414) 10.227 2.867 ( -0.359 -4.705 2.884) 5.530 3.202 ( 6.456 1.013 10.442) 12.318 3.448 ( -1.933 -3.819 6.257) 7.581 3.487 ( 4.843 0.594 4.420) 6.583 3.548 ( 2.941 -3.620 5.200) 6.985 3.955 ( -9.438 3.366 2.648) 10.364 4.088 ( -18.447 -0.061 9.385) 20.697 4.370 ( 13.735 9.452 0.696) 16.688 4.736 ( -3.190 -0.035 7.791) 8.419 5.117 ( -0.289 -0.670 14.204) 14.223 5.133 ( 0.555 -2.104 8.189) 8.473 5.283 ( 10.445 1.608 7.552) 12.989 5.423 ( 0.386 2.998 2.480) 3.910 5.626 ( -5.233 -4.779 11.490) 13.500 5.719 ( -6.687 -1.317 6.165) 9.190 7.145 ( 3.811 0.459 5.850) 6.997 7.198 ( 0.937 -0.802 3.761) 3.958 7.376 ( 3.078 1.635 -8.486) 9.174 7.501 ( -2.534 -1.272 -5.040) 5.783 8.179 ( 10.212 3.418 0.652) 10.789 8.409 ( -0.045 -1.679 1.558) 2.291 9.333 ( 10.094 6.063 6.386) 13.396 9.745 ( -4.304 1.644 -2.139) 5.079 9.850 ( 0.094 -1.611 5.145) 5.392 10.083 ( -0.756 5.488 2.878) 6.243 10.188 ( 4.967 -0.267 -0.943) 5.063 10.298 ( 0.057 5.176 -0.517) 5.202 10.500 ( -0.151 -3.064 2.005) 3.665 10.782 ( -3.956 -2.443 10.518) 11.500 11.019 ( 1.948 -6.749 2.957) 7.622 11.310 ( -2.609 -16.559 2.000) 16.882 11.905 ( 7.494 11.949 -2.156) 14.268 12.481 ( -13.313 -5.876 -0.828) 14.576 12.941 ( 4.150 0.104 -3.983) 5.753 13.058 ( -1.259 -2.958 -7.008) 7.710 14.007 ( 2.645 1.765 -11.600) 12.028 14.118 ( -2.744 2.337 -8.532) 9.262 14.335 ( 0.059 0.992 -7.554) 7.619 14.430 ( -3.669 2.409 -7.195) 8.428 ======================= Grid point 238 (85/120) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -1.706 2.261 1.248) 3.095 2.268 ( 1.706 2.261 1.248) 3.095 2.821 ( -4.969 -3.152 -1.968) 6.205 2.821 ( 4.969 -3.152 -1.968) 6.205 3.317 ( -6.256 -0.514 9.145) 11.092 3.317 ( 6.256 -0.514 9.145) 11.092 3.674 ( -5.174 0.839 9.580) 10.920 3.674 ( 5.174 0.839 9.580) 10.920 3.786 ( -2.173 -1.970 1.783) 3.433 3.786 ( 2.173 -1.970 1.783) 3.433 4.613 ( -9.299 5.407 4.030) 11.487 4.613 ( 9.299 5.407 4.030) 11.487 5.112 ( -0.611 0.723 12.033) 12.070 5.112 ( 0.611 0.723 12.033) 12.070 5.461 ( -0.796 -1.482 7.892) 8.070 5.461 ( 0.796 -1.482 7.892) 8.070 5.568 ( -5.022 -1.590 6.404) 8.292 5.568 ( 5.022 -1.590 6.404) 8.292 7.198 ( -1.216 -0.161 7.830) 7.925 7.198 ( 1.216 -0.161 7.830) 7.925 7.440 ( -3.213 0.073 -9.458) 9.989 7.440 ( 3.213 0.073 -9.458) 9.989 8.348 ( -5.938 1.405 0.897) 6.168 8.348 ( 5.938 1.405 0.897) 6.168 9.551 ( -10.992 0.257 6.308) 12.676 9.551 ( 10.992 0.257 6.308) 12.676 9.968 ( -7.558 4.655 -0.268) 8.881 9.968 ( 7.558 4.655 -0.268) 8.881 10.281 ( -3.436 4.201 -1.430) 5.613 10.281 ( 3.436 4.201 -1.430) 5.613 10.614 ( -9.794 -1.824 7.846) 12.681 10.614 ( 9.794 -1.824 7.846) 12.681 11.153 ( -9.227 -12.296 3.555) 15.779 11.153 ( 9.227 -12.296 3.555) 15.779 12.177 ( -15.757 2.103 -2.238) 16.053 12.177 ( 15.757 2.103 -2.238) 16.053 13.018 ( -2.983 -1.954 -6.691) 7.582 13.018 ( 2.983 -1.954 -6.691) 7.582 14.062 ( -2.767 2.837 -10.313) 11.048 14.062 ( 2.767 2.837 -10.313) 11.048 14.363 ( -2.612 0.710 -6.536) 7.074 14.363 ( 2.612 0.710 -6.536) 7.074 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 0.000 -0.268 9.333) 9.337 2.146 ( 0.000 -1.240 8.511) 8.601 2.557 ( 0.000 4.841 3.193) 5.799 2.687 ( 0.000 -8.143 7.636) 11.163 3.033 ( 0.000 9.961 7.997) 12.774 3.238 ( 0.000 -9.387 4.256) 10.306 3.650 ( 0.000 15.053 -0.225) 15.055 3.857 ( 0.000 -3.553 -0.007) 3.553 3.932 ( 0.000 -1.537 -3.102) 3.462 3.990 ( 0.000 -9.375 -2.034) 9.593 4.663 ( 0.000 11.056 16.424) 19.798 4.756 ( 0.000 -0.841 10.991) 11.023 4.856 ( 0.000 4.655 8.594) 9.773 5.053 ( 0.000 -11.661 11.075) 16.082 5.440 ( 0.000 3.502 7.646) 8.410 5.490 ( 0.000 -2.219 0.900) 2.395 5.699 ( 0.000 4.404 1.542) 4.666 5.806 ( 0.000 -5.702 12.985) 14.181 7.028 ( 0.000 3.841 -11.813) 12.421 7.102 ( 0.000 -3.373 -10.276) 10.815 7.350 ( 0.000 5.839 7.392) 9.420 7.468 ( 0.000 -5.679 8.874) 10.536 7.838 ( 0.000 9.262 1.275) 9.350 8.044 ( 0.000 -10.894 1.683) 11.023 9.409 ( 0.000 24.444 5.791) 25.121 9.701 ( 0.000 6.756 -1.182) 6.859 9.834 ( 0.000 -3.282 -0.133) 3.284 9.838 ( 0.000 -11.329 6.538) 13.080 10.105 ( 0.000 -3.545 -1.477) 3.840 10.190 ( 0.000 -15.044 -1.794) 15.151 10.518 ( 0.000 3.799 -5.394) 6.598 10.615 ( 0.000 -5.475 -2.072) 5.854 11.041 ( 0.000 8.884 0.019) 8.884 11.166 ( 0.000 -3.092 4.354) 5.340 12.377 ( 0.000 6.624 5.867) 8.849 12.519 ( 0.000 -7.108 1.542) 7.273 12.906 ( 0.000 2.438 7.741) 8.116 13.004 ( 0.000 -7.987 1.924) 8.216 13.958 ( 0.000 5.105 -13.737) 14.654 14.080 ( 0.000 -7.079 -12.761) 14.593 14.587 ( 0.000 6.816 -9.359) 11.578 14.645 ( 0.000 0.873 -11.144) 11.178 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.12 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 2.937 0.979 7.912) 8.496 2.199 ( 4.486 -2.208 6.538) 8.231 2.557 ( -0.070 5.451 1.680) 5.704 2.693 ( 0.558 -8.148 6.173) 10.237 3.044 ( 1.535 8.397 9.470) 12.749 3.218 ( -0.915 -7.680 5.388) 9.426 3.600 ( -3.804 6.069 1.337) 7.287 3.707 ( -8.318 -4.847 0.931) 9.672 4.045 ( 11.459 8.103 -2.254) 14.214 4.216 ( 11.762 -6.963 -5.124) 14.597 4.600 ( -5.021 5.799 15.164) 16.994 4.677 ( -8.145 -1.681 12.018) 14.615 4.882 ( 2.593 5.156 9.599) 11.200 5.033 ( -1.041 -8.657 8.540) 12.205 5.410 ( -2.349 5.155 8.792) 10.459 5.504 ( 0.316 -3.535 6.265) 7.200 5.690 ( -0.948 3.790 1.675) 4.251 5.795 ( -1.157 -5.459 10.268) 11.686 7.046 ( 1.702 3.329 -8.739) 9.505 7.110 ( 0.870 -3.000 -7.699) 8.308 7.362 ( 1.138 5.413 4.746) 7.289 7.471 ( 0.264 -5.230 6.080) 8.024 7.908 ( 6.533 8.845 1.325) 11.076 8.101 ( 5.269 -10.049 1.807) 11.489 9.418 ( 0.854 22.439 6.023) 23.249 9.757 ( 4.967 8.288 -1.223) 9.740 9.834 ( -0.789 -15.811 6.808) 17.233 9.882 ( 4.400 -2.932 0.381) 5.301 10.063 ( -3.052 0.489 -3.380) 4.580 10.188 ( 1.152 -10.657 0.779) 10.747 10.584 ( 1.946 -0.411 -4.966) 5.349 10.639 ( 4.435 -4.959 0.739) 6.694 11.020 ( -1.614 8.055 -1.767) 8.403 11.142 ( -2.519 -3.387 4.132) 5.907 12.310 ( -6.006 8.390 4.524) 11.266 12.495 ( -2.307 -9.719 0.225) 9.992 12.917 ( 0.844 2.510 7.222) 7.692 13.000 ( -0.241 -6.281 1.426) 6.446 13.970 ( 1.162 4.652 -13.141) 13.988 14.082 ( 0.234 -6.517 -12.163) 13.801 14.559 ( -2.714 6.683 -9.337) 11.798 14.619 ( -2.498 0.523 -10.757) 11.055 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.25 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 3.571 2.731 3.827) 5.904 2.299 ( 4.202 -2.879 1.506) 5.311 2.567 ( 1.950 5.937 0.838) 6.305 2.711 ( 1.394 -8.132 3.901) 9.126 3.116 ( 5.721 5.483 11.012) 13.566 3.243 ( 3.838 -6.492 6.910) 10.229 3.519 ( -3.496 2.233 3.554) 5.462 3.572 ( -5.355 -3.114 3.683) 7.207 4.266 ( -5.387 6.270 1.043) 8.332 4.302 ( 6.544 6.697 -3.207) 9.898 4.444 ( -11.339 2.086 11.602) 16.356 4.596 ( 6.195 -9.461 5.502) 12.576 4.968 ( 5.942 2.525 10.542) 12.362 5.038 ( 1.646 -4.229 9.306) 10.354 5.357 ( -2.409 6.718 12.194) 14.129 5.487 ( -1.831 -4.453 10.953) 11.965 5.653 ( -2.852 3.224 2.662) 5.061 5.754 ( -3.095 -5.026 5.818) 8.288 7.095 ( 3.039 2.138 -1.646) 4.065 7.138 ( 1.873 -2.094 -1.723) 3.295 7.390 ( 1.466 4.241 -1.319) 4.677 7.474 ( -0.048 -4.002 -0.043) 4.003 8.080 ( 9.620 7.453 1.428) 12.253 8.234 ( 7.079 -7.637 2.028) 10.609 9.443 ( 1.652 16.782 6.461) 18.058 9.770 ( -5.126 -15.045 6.154) 17.044 9.867 ( 4.477 9.620 -3.322) 11.119 10.002 ( 7.143 -2.978 1.840) 7.955 10.083 ( 5.911 4.614 0.076) 7.499 10.232 ( 3.122 -9.539 1.622) 10.167 10.577 ( -1.583 5.002 -0.974) 5.336 10.726 ( 1.929 -6.360 4.670) 8.123 10.992 ( -2.005 -0.257 -4.913) 5.312 11.065 ( -4.320 -4.171 3.951) 7.188 12.178 ( -5.586 11.998 0.871) 13.263 12.428 ( -4.224 -12.920 -2.238) 13.776 12.934 ( 0.870 2.854 4.367) 5.289 13.000 ( 0.139 -3.917 0.037) 3.919 14.005 ( 2.219 3.704 -11.760) 12.528 14.092 ( 0.808 -4.871 -10.506) 11.609 14.485 ( -4.313 5.968 -9.311) 11.870 14.547 ( -4.425 -0.207 -9.839) 10.790 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.38 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.795 3.277 -0.501) 3.770 2.336 ( -0.187 -0.229 -2.584) 2.601 2.656 ( 5.870 1.792 1.095) 6.234 2.747 ( 1.699 -6.512 2.172) 7.071 3.248 ( 5.537 3.641 10.617) 12.516 3.340 ( 2.512 -5.470 8.497) 10.413 3.504 ( 3.514 0.769 5.135) 6.269 3.517 ( 3.478 -0.668 6.399) 7.314 4.019 ( -14.476 3.135 4.436) 15.461 4.072 ( -17.583 -1.883 7.037) 19.032 4.573 ( 10.043 9.661 -0.360) 13.940 4.710 ( 3.444 -3.600 3.123) 5.881 5.081 ( 3.154 -1.162 10.953) 11.457 5.095 ( 3.407 -2.015 14.289) 14.827 5.350 ( 3.155 4.920 10.479) 11.999 5.449 ( -1.197 -3.254 10.528) 11.084 5.575 ( -4.547 2.428 3.864) 6.442 5.660 ( -6.152 -4.342 4.369) 8.706 7.159 ( 2.867 0.904 5.631) 6.383 7.179 ( 1.793 -1.047 4.767) 5.200 7.417 ( 1.198 2.394 -7.548) 8.009 7.465 ( -0.900 -2.231 -6.246) 6.694 8.266 ( 7.911 4.863 1.572) 9.418 8.355 ( 4.003 -3.790 2.050) 5.881 9.486 ( 2.689 8.703 6.448) 11.160 9.654 ( -5.583 -7.760 4.944) 10.762 9.953 ( 4.520 8.270 -0.743) 9.454 10.101 ( 0.793 -5.219 1.888) 5.606 10.255 ( 8.888 6.309 1.892) 11.062 10.348 ( 9.698 -2.529 2.013) 10.223 10.523 ( -3.795 9.331 0.578) 10.090 10.747 ( 1.682 -5.232 6.175) 8.267 10.861 ( -9.622 -4.144 -0.487) 10.488 10.991 ( -4.987 -13.290 1.850) 14.315 12.132 ( 1.463 10.740 -2.808) 11.197 12.328 ( -5.437 -9.040 -3.317) 11.058 12.956 ( 1.360 1.507 -0.533) 2.098 12.999 ( -0.336 -2.731 -2.210) 3.529 14.058 ( 2.884 2.999 -10.216) 11.031 14.114 ( 1.031 -2.223 -8.656) 8.996 14.400 ( -3.442 4.031 -9.325) 10.726 14.450 ( -4.754 -0.697 -8.942) 10.151 ======================= Grid point 247 (90/120) ======================= q-point: (-0.50 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -1.082 2.129 -2.617) 3.543 2.319 ( 1.082 2.129 -2.617) 3.543 2.748 ( -2.301 -2.992 0.332) 3.789 2.748 ( 2.301 -2.992 0.332) 3.789 3.313 ( -2.361 0.018 10.510) 10.772 3.313 ( 2.361 0.018 10.510) 10.772 3.691 ( -3.520 0.688 9.791) 10.427 3.691 ( 3.520 0.688 9.791) 10.427 3.752 ( -3.433 -1.086 2.102) 4.169 3.752 ( 3.433 -1.086 2.102) 4.169 4.715 ( -3.362 3.535 1.642) 5.147 4.715 ( 3.362 3.535 1.642) 5.147 5.116 ( -0.576 -0.317 15.545) 15.559 5.116 ( 0.576 -0.317 15.545) 15.559 5.448 ( -1.915 0.404 6.635) 6.918 5.448 ( 1.915 0.404 6.635) 6.918 5.527 ( -4.263 -2.057 5.479) 7.240 5.527 ( 4.263 -2.057 5.479) 7.240 7.195 ( -0.461 -0.084 8.625) 8.638 7.195 ( 0.461 -0.084 8.625) 8.638 7.442 ( -1.233 0.030 -9.993) 10.069 7.442 ( 1.233 0.030 -9.993) 10.069 8.374 ( -2.324 0.874 1.823) 3.080 8.374 ( 2.324 0.874 1.823) 3.080 9.555 ( -4.120 0.108 5.675) 7.014 9.555 ( 4.120 0.108 5.675) 7.014 10.050 ( -4.577 2.513 1.345) 5.392 10.050 ( 4.577 2.513 1.345) 5.392 10.408 ( -6.320 6.557 1.738) 9.271 10.408 ( 6.320 6.557 1.738) 9.271 10.607 ( -12.928 3.386 2.072) 13.524 10.607 ( 12.928 3.386 2.072) 13.524 10.856 ( -6.864 -15.466 3.119) 17.206 10.856 ( 6.864 -15.466 3.119) 17.206 12.213 ( -5.556 1.154 -3.484) 6.659 12.213 ( 5.556 1.154 -3.484) 6.659 12.984 ( -1.167 -1.064 -3.320) 3.676 12.984 ( 1.167 -1.064 -3.320) 3.676 14.110 ( -1.728 1.484 -8.701) 8.994 14.110 ( 1.728 1.484 -8.701) 8.994 14.377 ( -1.677 0.516 -8.916) 9.087 14.377 ( 1.677 0.516 -8.916) 9.087 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 0.000 -0.909) 0.909 2.256 ( 0.000 0.000 2.318) 2.318 2.388 ( 0.000 0.000 -1.100) 1.100 3.147 ( 0.000 0.000 9.459) 9.459 3.166 ( 0.000 0.000 7.923) 7.923 3.223 ( 0.000 0.000 1.861) 1.861 3.439 ( 0.000 0.000 0.923) 0.923 3.886 ( 0.000 0.000 -4.147) 4.147 3.965 ( 0.000 0.000 0.069) 0.069 4.115 ( 0.000 0.000 -1.150) 1.150 4.675 ( 0.000 0.000 12.142) 12.142 4.904 ( 0.000 0.000 1.792) 1.792 4.940 ( 0.000 0.000 6.977) 6.977 5.235 ( 0.000 0.000 -3.423) 3.423 5.445 ( 0.000 0.000 -7.015) 7.015 5.577 ( 0.000 0.000 8.843) 8.843 5.704 ( 0.000 0.000 5.425) 5.425 6.309 ( 0.000 0.000 12.959) 12.959 6.720 ( 0.000 0.000 -7.290) 7.290 7.042 ( 0.000 0.000 -5.152) 5.152 7.297 ( 0.000 0.000 3.411) 3.411 7.660 ( 0.000 0.000 0.804) 0.804 7.788 ( 0.000 0.000 7.274) 7.274 8.346 ( 0.000 0.000 0.322) 0.322 8.831 ( 0.000 0.000 -0.325) 0.325 9.461 ( 0.000 0.000 -0.786) 0.786 9.851 ( 0.000 0.000 -0.773) 0.773 9.900 ( 0.000 0.000 -3.015) 3.015 10.216 ( 0.000 0.000 -4.810) 4.810 10.322 ( 0.000 0.000 -8.730) 8.730 10.774 ( 0.000 0.000 5.914) 5.914 10.833 ( 0.000 0.000 2.966) 2.966 10.884 ( 0.000 0.000 -1.229) 1.229 11.320 ( 0.000 0.000 16.222) 16.222 12.422 ( 0.000 0.000 6.508) 6.508 12.640 ( 0.000 0.000 -1.331) 1.331 13.074 ( 0.000 0.000 -13.161) 13.161 13.083 ( 0.000 0.000 7.806) 7.806 13.651 ( 0.000 0.000 -8.224) 8.224 14.170 ( 0.000 0.000 -9.861) 9.861 14.224 ( 0.000 0.000 -0.123) 0.123 14.251 ( 0.000 0.000 -5.298) 5.298 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -0.066 0.000 1.789) 1.790 2.285 ( 3.961 0.000 -1.268) 4.158 2.374 ( -1.283 0.000 -0.836) 1.531 3.143 ( -2.251 0.000 7.166) 7.511 3.173 ( 2.537 0.000 8.929) 9.283 3.263 ( 3.898 0.000 1.524) 4.185 3.491 ( 3.709 0.000 0.429) 3.734 3.812 ( -2.499 0.000 -1.790) 3.074 3.919 ( -4.373 0.000 0.387) 4.390 4.154 ( 0.896 0.000 -0.580) 1.067 4.800 ( 11.568 0.000 9.717) 15.108 4.882 ( -4.609 0.000 7.245) 8.587 4.950 ( 0.988 0.000 5.392) 5.482 5.200 ( -1.814 0.000 -4.546) 4.895 5.343 ( -5.968 0.000 -5.968) 8.440 5.538 ( -3.588 0.000 8.810) 9.512 5.788 ( 4.852 0.000 3.725) 6.118 6.274 ( -3.504 0.000 12.749) 13.221 6.781 ( 5.797 0.000 -6.736) 8.888 7.065 ( 2.163 0.000 -4.584) 5.068 7.303 ( 0.592 0.000 3.315) 3.367 7.733 ( 6.915 0.000 0.595) 6.941 7.741 ( -4.245 0.000 6.092) 7.425 8.375 ( 2.495 0.000 0.183) 2.501 8.893 ( 6.068 0.000 -0.128) 6.070 9.486 ( 2.351 0.000 -1.096) 2.594 9.897 ( 4.228 0.000 -0.571) 4.266 9.938 ( 3.222 0.000 -0.306) 3.237 10.196 ( -2.052 0.000 -6.569) 6.883 10.400 ( 6.339 0.000 -7.399) 9.743 10.674 ( -9.069 0.000 6.232) 11.003 10.864 ( 3.724 0.000 2.486) 4.477 10.928 ( 5.210 0.000 -1.101) 5.325 11.326 ( -0.065 0.000 16.042) 16.042 12.286 ( -12.555 0.000 4.478) 13.329 12.672 ( 2.929 0.000 -1.563) 3.320 12.993 ( -7.404 0.000 -13.202) 15.137 13.089 ( -0.050 0.000 8.829) 8.829 13.676 ( 2.162 0.000 -8.768) 9.030 14.146 ( -4.940 0.000 -2.800) 5.678 14.176 ( 0.561 0.000 -8.983) 9.001 14.301 ( 2.139 0.000 -2.750) 3.484 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -0.069 0.000 0.761) 0.764 2.340 ( -1.940 0.000 -0.208) 1.951 2.411 ( 8.296 0.000 -2.210) 8.586 3.075 ( -4.356 0.000 4.929) 6.578 3.250 ( 4.924 0.000 7.428) 8.912 3.377 ( 7.038 0.000 0.816) 7.085 3.526 ( 0.761 0.000 1.276) 1.486 3.798 ( -7.065 0.000 1.528) 7.228 3.891 ( 7.931 0.000 -0.428) 7.943 4.138 ( -0.482 0.000 0.845) 0.973 4.642 ( -17.436 0.000 7.481) 18.973 4.965 ( -0.664 0.000 5.848) 5.886 5.089 ( 15.481 0.000 6.644) 16.847 5.219 ( -0.694 0.000 -3.066) 3.144 5.288 ( 4.611 0.000 -2.602) 5.295 5.445 ( -5.124 0.000 8.525) 9.946 5.841 ( 0.051 0.000 3.373) 3.373 6.164 ( -7.385 0.000 11.942) 14.041 6.940 ( 9.392 0.000 -5.359) 10.814 7.127 ( 3.792 0.000 -3.241) 4.988 7.317 ( 0.553 0.000 3.102) 3.151 7.635 ( -5.818 0.000 3.955) 7.035 7.919 ( 10.694 0.000 0.154) 10.696 8.425 ( 1.707 0.000 -0.316) 1.736 9.073 ( 11.499 0.000 0.693) 11.520 9.553 ( 4.081 0.000 -1.909) 4.505 10.001 ( 1.633 0.000 1.102) 1.970 10.004 ( 5.636 0.000 0.077) 5.637 10.156 ( -0.603 0.000 -5.080) 5.115 10.438 ( -13.420 0.000 5.857) 14.643 10.494 ( 2.732 0.000 -3.667) 4.573 10.977 ( 6.439 0.000 1.269) 6.563 11.172 ( 19.223 0.000 -2.141) 19.342 11.287 ( -4.322 0.000 16.387) 16.947 11.957 ( -18.594 0.000 0.447) 18.599 12.748 ( 4.341 0.000 -2.186) 4.860 12.779 ( -13.211 0.000 -11.146) 17.285 13.077 ( -1.320 0.000 7.311) 7.429 13.725 ( 2.456 0.000 -9.537) 9.848 14.039 ( -5.389 0.000 -3.766) 6.575 14.194 ( 1.282 0.000 -6.613) 6.736 14.326 ( 0.296 0.000 -2.253) 2.273 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.323 0.000 0.099) 0.338 2.300 ( -1.838 0.000 -0.025) 1.838 2.607 ( 10.416 0.000 -2.642) 10.746 2.966 ( -6.486 0.000 1.464) 6.649 3.359 ( 5.480 0.000 6.035) 8.152 3.529 ( 6.116 0.000 2.099) 6.466 3.605 ( 8.244 0.000 4.017) 9.170 3.658 ( -4.867 0.000 1.704) 5.157 3.910 ( -5.835 0.000 -0.703) 5.877 4.248 ( -20.069 0.000 5.516) 20.813 4.297 ( 14.888 0.000 0.934) 14.917 4.872 ( -9.049 0.000 4.818) 10.252 5.200 ( 0.880 0.000 -1.445) 1.692 5.340 ( -4.647 0.000 7.347) 8.694 5.392 ( 13.358 0.000 5.238) 14.348 5.479 ( 11.724 0.000 4.904) 12.708 5.789 ( -5.013 0.000 3.491) 6.109 5.978 ( -10.698 0.000 10.317) 14.863 7.142 ( 9.848 0.000 -4.211) 10.710 7.209 ( 3.910 0.000 -2.002) 4.393 7.320 ( -0.283 0.000 3.288) 3.301 7.507 ( -6.835 0.000 2.421) 7.251 8.140 ( 10.485 0.000 -0.318) 10.490 8.422 ( -2.355 0.000 -0.781) 2.481 9.344 ( 14.521 0.000 1.811) 14.633 9.637 ( 3.550 0.000 -2.734) 4.481 9.968 ( -3.674 0.000 -1.962) 4.165 10.067 ( -4.264 0.000 5.115) 6.659 10.190 ( -5.676 0.000 -0.112) 5.677 10.191 ( 2.118 0.000 -1.388) 2.532 10.586 ( 8.337 0.000 2.472) 8.696 11.124 ( 8.132 0.000 0.343) 8.139 11.131 ( -11.437 0.000 15.738) 19.455 11.585 ( -16.570 0.000 -2.859) 16.815 11.628 ( 23.685 0.000 -2.725) 23.841 12.470 ( -17.039 0.000 -7.268) 18.524 12.841 ( 4.795 0.000 -2.714) 5.510 13.029 ( -3.491 0.000 2.572) 4.336 13.775 ( 2.662 0.000 -8.923) 9.312 13.932 ( -5.007 0.000 -5.012) 7.085 14.229 ( 2.132 0.000 -4.021) 4.551 14.314 ( -1.356 0.000 -2.117) 2.514 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -1.123 0.000 -0.031) 1.124 2.270 ( 1.123 0.000 -0.031) 1.124 2.809 ( -8.974 0.000 -1.625) 9.120 2.809 ( 8.974 0.000 -1.625) 9.120 3.476 ( -6.118 0.000 6.113) 8.649 3.476 ( 6.118 0.000 6.113) 8.649 3.749 ( -8.184 0.000 -0.423) 8.195 3.749 ( 8.184 0.000 -0.423) 8.195 3.868 ( -16.179 0.000 4.157) 16.705 3.868 ( 16.179 0.000 4.157) 16.705 4.617 ( -15.166 0.000 1.735) 15.265 4.617 ( 15.166 0.000 1.735) 15.265 5.251 ( -3.722 0.000 4.448) 5.800 5.251 ( 3.722 0.000 4.448) 5.800 5.626 ( -8.335 0.000 5.173) 9.810 5.626 ( 8.335 0.000 5.173) 9.810 5.744 ( -11.130 0.000 7.136) 13.222 5.744 ( 11.130 0.000 7.136) 13.222 7.268 ( -0.820 0.000 -3.362) 3.460 7.268 ( 0.820 0.000 -3.362) 3.460 7.358 ( -7.088 0.000 3.391) 7.858 7.358 ( 7.088 0.000 3.391) 7.858 8.324 ( -7.182 0.000 -0.721) 7.218 8.324 ( 7.182 0.000 -0.721) 7.218 9.612 ( -9.016 0.000 0.261) 9.019 9.612 ( 9.016 0.000 0.261) 9.019 9.921 ( -1.784 0.000 1.529) 2.350 9.921 ( 1.784 0.000 1.529) 2.350 10.199 ( -1.165 0.000 -1.867) 2.200 10.199 ( 1.165 0.000 -1.867) 2.200 10.842 ( -15.334 0.000 9.660) 18.123 10.842 ( 15.334 0.000 9.660) 18.123 11.312 ( -10.742 0.000 -1.328) 10.824 11.312 ( 10.742 0.000 -1.328) 10.824 12.086 ( -20.837 0.000 -3.962) 21.210 12.086 ( 20.837 0.000 -3.962) 21.210 12.941 ( -4.875 0.000 -1.570) 5.121 12.941 ( 4.875 0.000 -1.570) 5.121 13.841 ( -3.887 0.000 -6.883) 7.905 13.841 ( 3.887 0.000 -6.883) 7.905 14.276 ( -2.277 0.000 -2.539) 3.410 14.276 ( 2.277 0.000 -2.539) 3.410 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 0.579 2.869) 2.927 2.269 ( 0.000 1.615 2.203) 2.731 2.410 ( 0.000 2.774 -3.310) 4.319 3.002 ( 0.000 -12.990 3.680) 13.501 3.157 ( 0.000 3.182 11.325) 11.764 3.362 ( 0.000 11.169 -0.274) 11.172 3.472 ( 0.000 0.760 6.178) 6.224 3.877 ( 0.000 -0.713 -3.861) 3.926 3.909 ( 0.000 -4.706 -0.996) 4.811 4.089 ( 0.000 -3.987 -1.981) 4.452 4.753 ( 0.000 7.822 11.431) 13.851 4.912 ( 0.000 0.977 2.126) 2.340 4.937 ( 0.000 -0.349 6.591) 6.600 5.229 ( 0.000 -0.880 -2.784) 2.920 5.433 ( 0.000 -0.498 -4.448) 4.476 5.640 ( 0.000 -5.982 5.242) 7.954 5.667 ( 0.000 7.937 7.348) 10.816 6.243 ( 0.000 -6.415 12.125) 13.717 6.754 ( 0.000 3.209 -7.186) 7.870 7.008 ( 0.000 -3.130 -5.405) 6.245 7.351 ( 0.000 5.032 3.726) 6.262 7.702 ( 0.000 3.569 1.927) 4.056 7.749 ( 0.000 -2.914 5.693) 6.395 8.263 ( 0.000 -7.854 0.486) 7.869 9.019 ( 0.000 18.014 0.302) 18.016 9.530 ( 0.000 6.389 -0.912) 6.454 9.851 ( 0.000 -0.110 -0.409) 0.424 9.901 ( 0.000 0.099 -2.765) 2.767 10.146 ( 0.000 -7.018 -7.119) 9.996 10.344 ( 0.000 3.568 -3.345) 4.890 10.632 ( 0.000 -21.622 0.757) 21.636 10.770 ( 0.000 -6.077 2.822) 6.700 10.880 ( 0.000 9.241 3.639) 9.931 11.358 ( 0.000 0.522 10.954) 10.967 12.436 ( 0.000 1.559 5.985) 6.185 12.615 ( 0.000 -2.356 -0.533) 2.415 13.050 ( 0.000 -1.914 -8.062) 8.287 13.071 ( 0.000 -1.149 7.374) 7.463 13.649 ( 0.000 1.037 -8.588) 8.650 14.023 ( 0.000 -8.981 -8.431) 12.318 14.314 ( 0.000 7.102 -2.449) 7.513 14.374 ( 0.000 6.385 -6.944) 9.434 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.118 0.559 2.228) 2.300 2.303 ( 3.081 0.711 1.577) 3.534 2.398 ( -0.840 3.301 -3.170) 4.653 2.997 ( -0.567 -12.273 3.914) 12.894 3.185 ( 2.792 2.703 10.534) 11.228 3.341 ( -0.225 5.761 1.677) 6.005 3.531 ( 2.353 2.459 2.498) 4.222 3.795 ( -3.589 -2.798 0.733) 4.610 3.913 ( 1.555 0.934 -2.392) 3.002 4.175 ( 3.557 0.571 -2.415) 4.337 4.796 ( 4.282 0.400 9.228) 10.181 4.888 ( -5.346 0.326 7.925) 9.565 4.959 ( 2.938 1.040 4.467) 5.447 5.176 ( -2.796 -2.496 -3.789) 5.329 5.363 ( -3.049 2.689 -2.950) 5.022 5.625 ( -3.266 7.516 7.948) 11.417 5.735 ( 5.098 -4.750 3.363) 7.737 6.208 ( -3.426 -6.376 11.864) 13.898 6.810 ( 5.347 2.761 -6.620) 8.946 7.034 ( 2.529 -2.780 -4.825) 6.116 7.353 ( 0.196 4.643 3.608) 5.884 7.700 ( -3.300 -3.595 5.977) 7.716 7.784 ( 6.548 4.845 0.499) 8.161 8.302 ( 3.555 -6.972 0.436) 7.838 9.066 ( 4.637 16.669 0.378) 17.306 9.555 ( 2.227 6.521 -1.576) 7.069 9.900 ( 4.658 0.198 -0.095) 4.663 9.943 ( 3.407 0.336 -0.716) 3.498 10.116 ( -2.420 -7.571 -6.066) 9.999 10.393 ( 3.803 0.583 -1.521) 4.137 10.632 ( -1.835 -14.794 -0.215) 14.908 10.821 ( 6.516 -7.164 1.523) 9.803 10.843 ( -2.266 6.672 2.907) 7.622 11.348 ( -1.364 -0.622 10.953) 11.055 12.312 ( -11.398 2.664 4.260) 12.456 12.621 ( 0.175 -4.714 -1.364) 4.910 12.994 ( -4.974 0.280 -7.740) 9.204 13.079 ( 0.346 -0.975 7.935) 8.002 13.676 ( 2.359 1.053 -8.843) 9.212 14.028 ( 0.360 -8.006 -7.380) 10.894 14.274 ( -3.103 7.314 -4.204) 8.988 14.382 ( 0.193 4.961 -5.198) 7.188 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.231 0.370 0.560) 0.710 2.334 ( -1.333 -1.006 -0.652) 1.793 2.444 ( 6.736 3.749 -1.577) 7.869 2.973 ( -2.036 -9.432 3.495) 10.263 3.269 ( 5.320 2.098 8.666) 10.383 3.385 ( 4.779 1.225 1.265) 5.093 3.531 ( -0.325 0.368 1.288) 1.379 3.724 ( -4.605 -4.532 3.813) 7.502 4.041 ( 8.501 10.426 -2.708) 13.722 4.169 ( -1.719 3.040 -0.007) 3.492 4.634 ( -17.569 -0.755 6.923) 18.898 4.882 ( 2.244 -7.312 5.592) 9.475 5.076 ( 7.989 0.197 2.552) 8.389 5.221 ( 6.528 -2.544 2.449) 7.422 5.338 ( 0.676 6.659 -0.069) 6.694 5.540 ( -4.582 8.091 6.853) 11.551 5.795 ( 0.423 -4.506 3.495) 5.718 6.102 ( -7.027 -5.988 10.947) 14.320 6.958 ( 8.785 1.713 -5.214) 10.358 7.107 ( 4.388 -1.867 -3.445) 5.882 7.355 ( -0.132 3.600 3.332) 4.907 7.610 ( -5.176 -2.489 4.089) 7.050 7.966 ( 10.539 4.730 0.176) 11.553 8.382 ( 3.591 -4.348 0.186) 5.642 9.204 ( 8.736 12.563 0.846) 15.325 9.612 ( 3.225 5.819 -2.888) 7.253 9.970 ( -2.245 -4.174 -0.706) 4.792 10.024 ( 6.741 1.783 -0.121) 6.974 10.118 ( 4.490 -1.788 0.044) 4.833 10.426 ( -2.990 -1.004 3.333) 4.589 10.531 ( -5.241 -0.624 -1.733) 5.556 10.856 ( 3.889 -5.432 2.495) 7.132 11.043 ( 12.633 -11.123 -2.143) 16.968 11.296 ( -2.923 -2.494 10.421) 11.107 12.028 ( -14.656 6.758 0.882) 16.163 12.587 ( -4.901 -9.657 -4.404) 11.691 12.890 ( -3.562 5.144 -4.595) 7.763 13.072 ( -1.319 -0.714 6.338) 6.513 13.733 ( 3.133 1.594 -9.004) 9.665 14.029 ( -0.714 -3.670 -5.052) 6.285 14.213 ( -2.178 4.670 -5.405) 7.467 14.370 ( -1.407 2.688 -3.855) 4.906 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.122 -0.009 -0.594) 0.606 2.296 ( -1.903 -0.506 -1.032) 2.223 2.615 ( 9.135 1.038 -1.753) 9.359 2.907 ( -4.507 -5.489 1.172) 7.198 3.383 ( 5.274 2.246 6.886) 8.960 3.533 ( 8.609 0.199 0.467) 8.624 3.573 ( 2.606 -2.581 5.346) 6.484 3.635 ( 0.074 -1.269 3.186) 3.430 3.970 ( -9.618 4.499 -0.511) 10.630 4.226 ( -17.384 -2.243 3.621) 17.898 4.382 ( 12.191 7.988 1.150) 14.620 4.851 ( -5.647 -2.505 3.840) 7.274 5.201 ( 4.114 0.525 0.671) 4.202 5.357 ( 0.410 0.142 7.923) 7.935 5.424 ( 9.361 3.146 5.464) 11.286 5.499 ( 4.415 3.344 3.874) 6.759 5.752 ( -4.432 -3.649 3.853) 6.914 5.927 ( -10.040 -4.986 9.219) 14.514 7.147 ( 9.276 0.561 -4.010) 10.121 7.202 ( 4.648 -0.644 -2.164) 5.167 7.343 ( -1.122 2.172 3.383) 4.174 7.494 ( -6.321 -1.374 2.692) 7.006 8.182 ( 10.021 4.013 -0.135) 10.796 8.419 ( -0.561 -0.703 -0.196) 0.920 9.407 ( 10.684 5.899 1.458) 12.291 9.667 ( 1.053 2.226 -3.515) 4.292 9.912 ( -1.195 -2.081 0.851) 2.546 10.151 ( 4.354 5.144 0.416) 6.752 10.193 ( -3.854 2.918 3.538) 5.990 10.284 ( -2.864 6.289 -0.777) 6.953 10.543 ( 6.421 -3.878 1.926) 7.744 10.962 ( 3.458 -10.126 5.337) 11.957 11.081 ( -5.543 -8.787 4.492) 11.318 11.323 ( -0.936 -14.892 -0.385) 14.926 11.864 ( 3.731 12.191 -2.144) 12.928 12.403 ( -12.435 -5.863 -5.142) 14.678 12.879 ( 1.856 3.071 -2.547) 4.401 13.022 ( -3.519 -0.827 2.311) 4.291 13.803 ( 3.798 3.012 -7.994) 9.349 13.981 ( -3.931 2.995 -4.817) 6.901 14.209 ( 1.726 -0.616 -4.387) 4.755 14.327 ( -2.765 0.463 -3.125) 4.199 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -1.042 -0.357 -0.974) 1.471 2.265 ( 1.042 -0.357 -0.974) 1.471 2.787 ( -7.344 -1.955 -1.191) 7.692 2.787 ( 7.344 -1.955 -1.191) 7.692 3.484 ( -5.082 0.785 6.618) 8.381 3.484 ( 5.082 0.785 6.618) 8.381 3.754 ( -11.048 0.444 -0.329) 11.062 3.754 ( 11.048 0.444 -0.329) 11.062 3.856 ( -16.378 -1.052 4.204) 16.942 3.856 ( 16.378 -1.052 4.204) 16.942 4.660 ( -12.509 3.696 1.155) 13.094 4.660 ( 12.509 3.696 1.155) 13.094 5.286 ( -4.513 3.310 5.268) 7.686 5.286 ( 4.513 3.310 5.268) 7.686 5.606 ( -6.476 -1.712 5.537) 8.691 5.606 ( 6.476 -1.712 5.537) 8.691 5.709 ( -9.887 -3.288 6.120) 12.084 5.709 ( 9.887 -3.288 6.120) 12.084 7.272 ( -1.288 0.403 -3.914) 4.140 7.272 ( 1.288 0.403 -3.914) 4.140 7.356 ( -6.055 -0.130 4.155) 7.344 7.356 ( 6.055 -0.130 4.155) 7.344 8.350 ( -6.091 2.325 -0.316) 6.528 8.350 ( 6.091 2.325 -0.316) 6.528 9.601 ( -7.345 -0.794 -0.199) 7.391 9.601 ( 7.345 -0.794 -0.199) 7.391 9.991 ( -8.666 6.271 1.944) 10.872 9.991 ( 8.666 6.271 1.944) 10.872 10.251 ( -3.246 5.497 -1.259) 6.506 10.251 ( 3.246 5.497 -1.259) 6.506 10.776 ( -14.200 -6.051 7.367) 17.103 10.776 ( 14.200 -6.051 7.367) 17.103 11.179 ( -9.164 -12.285 -0.787) 15.347 11.179 ( 9.164 -12.285 -0.787) 15.347 12.112 ( -15.484 2.088 -3.410) 15.992 12.112 ( 15.484 2.088 -3.410) 15.992 12.942 ( -3.926 0.051 -1.314) 4.140 12.942 ( 3.926 0.051 -1.314) 4.140 13.889 ( -4.628 4.258 -6.248) 8.864 13.889 ( 4.628 4.258 -6.248) 8.864 14.264 ( -3.206 -1.144 -3.177) 4.656 14.264 ( 3.206 -1.144 -3.177) 4.656 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 0.719 4.228) 4.289 2.285 ( 0.000 -0.016 5.202) 5.202 2.521 ( 0.000 8.473 -4.058) 9.395 2.736 ( 0.000 -12.797 -0.560) 12.809 3.275 ( 0.000 7.844 12.978) 15.164 3.423 ( 0.000 -5.810 11.619) 12.990 3.614 ( 0.000 13.105 -3.262) 13.505 3.810 ( 0.000 -5.650 -4.565) 7.264 3.870 ( 0.000 0.507 -2.899) 2.943 3.950 ( 0.000 -8.199 -1.381) 8.315 4.896 ( 0.000 2.801 6.243) 6.842 4.924 ( 0.000 -0.917 5.737) 5.810 4.999 ( 0.000 9.864 5.113) 11.110 5.174 ( 0.000 -5.680 0.802) 5.736 5.438 ( 0.000 1.339 -1.925) 2.345 5.507 ( 0.000 -5.940 2.701) 6.525 5.859 ( 0.000 10.812 8.166) 13.549 6.072 ( 0.000 -10.219 10.158) 14.409 6.836 ( 0.000 4.716 -6.799) 8.275 6.930 ( 0.000 -4.562 -6.114) 7.629 7.478 ( 0.000 7.363 4.707) 8.739 7.625 ( 0.000 -6.982 6.001) 9.207 7.857 ( 0.000 9.477 0.631) 9.498 8.067 ( 0.000 -10.998 0.693) 11.020 9.482 ( 0.000 26.340 1.561) 26.386 9.678 ( 0.000 7.019 -0.814) 7.066 9.839 ( 0.000 -1.344 0.782) 1.555 9.902 ( 0.000 -0.463 -1.085) 1.179 9.994 ( 0.000 -6.413 -7.137) 9.594 10.127 ( 0.000 -26.384 -1.162) 26.410 10.457 ( 0.000 7.364 -0.512) 7.382 10.619 ( 0.000 -8.487 1.489) 8.616 11.090 ( 0.000 11.073 2.885) 11.443 11.285 ( 0.000 -7.623 5.492) 9.395 12.485 ( 0.000 3.212 4.225) 5.307 12.554 ( 0.000 -3.538 1.606) 3.885 13.025 ( 0.000 -0.126 0.412) 0.431 13.042 ( 0.000 -1.500 5.454) 5.657 13.716 ( 0.000 5.480 -9.269) 10.768 13.852 ( 0.000 -8.012 -8.892) 11.969 14.436 ( 0.000 4.115 -5.298) 6.708 14.459 ( 0.000 1.796 -6.707) 6.944 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.12 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.013 1.021 2.927) 3.100 2.297 ( 0.879 -0.930 3.352) 3.588 2.522 ( 0.465 8.885 -2.991) 9.386 2.739 ( 0.425 -12.626 0.058) 12.633 3.284 ( 1.108 6.384 11.909) 13.558 3.388 ( -1.848 -2.490 9.101) 9.615 3.598 ( -1.982 4.942 -1.583) 5.555 3.705 ( -4.919 -5.406 -0.758) 7.348 3.987 ( 10.270 6.221 -3.222) 12.432 4.122 ( 10.309 -5.935 -3.628) 12.436 4.834 ( -6.373 2.867 8.117) 10.711 4.880 ( -7.138 -1.421 8.113) 10.900 5.008 ( 2.612 4.111 2.232) 5.357 5.103 ( -2.287 -4.693 -1.249) 5.368 5.453 ( 2.172 6.178 0.650) 6.581 5.594 ( 5.028 -7.433 3.406) 9.598 5.826 ( -3.073 10.715 7.621) 13.503 6.039 ( -3.269 -10.182 9.804) 14.508 6.881 ( 4.370 4.152 -6.208) 8.653 6.965 ( 3.353 -4.057 -5.515) 7.623 7.470 ( -0.817 6.664 4.457) 8.059 7.601 ( -2.244 -6.163 5.419) 8.508 7.926 ( 6.455 9.132 0.538) 11.196 8.124 ( 5.289 -10.200 0.630) 11.507 9.489 ( 0.658 23.258 1.267) 23.302 9.714 ( 2.658 7.410 -2.566) 8.280 9.872 ( 1.461 -4.458 0.619) 4.732 9.944 ( 3.859 -3.899 1.588) 5.711 9.968 ( 1.040 -0.716 -4.158) 4.346 10.175 ( 3.498 -21.549 -0.838) 21.847 10.503 ( 3.448 5.604 -1.909) 6.851 10.655 ( 3.974 -8.759 1.048) 9.675 11.046 ( -4.013 11.439 2.327) 12.343 11.254 ( -3.105 -8.499 5.182) 10.427 12.392 ( -8.345 5.235 3.099) 10.326 12.508 ( -4.413 -6.162 0.721) 7.613 13.012 ( -1.230 1.646 0.376) 2.089 13.050 ( 0.382 -1.892 5.257) 5.601 13.739 ( 2.227 5.223 -8.853) 10.517 13.870 ( 1.669 -7.592 -8.079) 11.211 14.404 ( -2.836 4.775 -5.621) 7.902 14.444 ( -1.602 0.777 -6.021) 6.278 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.25 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.481 1.226 0.026) 1.317 2.303 ( -0.582 -1.806 -0.549) 1.976 2.563 ( 3.871 8.118 -0.511) 9.009 2.757 ( 1.301 -11.092 1.080) 11.220 3.334 ( 4.098 3.849 9.183) 10.767 3.392 ( 2.825 -1.374 6.695) 7.395 3.555 ( -1.401 2.621 -0.089) 2.973 3.632 ( -2.848 -4.624 2.434) 5.951 4.217 ( 10.048 5.720 -3.585) 12.105 4.240 ( -1.380 2.896 -2.480) 4.055 4.630 ( -13.820 1.445 6.419) 15.307 4.725 ( -1.724 -7.490 5.516) 9.460 5.102 ( 6.029 2.231 2.574) 6.925 5.158 ( 6.296 -3.281 2.915) 7.675 5.495 ( 1.508 8.610 3.687) 9.486 5.656 ( 0.619 -6.022 5.519) 8.192 5.744 ( -4.630 8.719 5.475) 11.289 5.942 ( -6.177 -9.647 8.630) 14.342 7.004 ( 7.349 2.733 -4.761) 9.173 7.060 ( 5.733 -2.741 -4.071) 7.547 7.444 ( -1.725 5.010 3.867) 6.560 7.540 ( -3.616 -4.384 4.183) 7.056 8.096 ( 9.555 7.921 0.365) 12.417 8.258 ( 7.071 -7.778 0.523) 10.524 9.509 ( 1.332 15.746 0.689) 15.817 9.726 ( -2.377 -1.514 -4.841) 5.601 9.890 ( 2.940 4.220 2.133) 5.568 10.065 ( 6.709 -1.292 2.007) 7.121 10.088 ( 9.599 0.369 1.573) 9.734 10.249 ( 3.639 -15.381 0.104) 15.806 10.552 ( 0.887 7.392 -1.041) 7.517 10.769 ( 5.366 -12.777 0.244) 13.860 10.950 ( -4.618 9.292 0.273) 10.380 11.161 ( -5.739 -10.111 4.392) 12.428 12.197 ( -9.185 9.610 0.716) 13.312 12.392 ( -6.440 -9.861 -1.236) 11.842 12.979 ( -1.971 3.856 -0.023) 4.330 13.042 ( -1.464 -2.403 3.799) 4.728 13.801 ( 3.770 5.052 -7.715) 9.963 13.918 ( 3.003 -6.334 -6.160) 9.332 14.330 ( -4.263 5.283 -5.603) 8.802 14.393 ( -3.407 -0.889 -5.166) 6.252 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.38 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.455 0.720 -1.991) 2.166 2.280 ( -1.342 -1.055 -2.439) 2.977 2.663 ( 5.242 4.114 -0.017) 6.664 2.776 ( 0.116 -6.854 0.757) 6.896 3.439 ( 4.853 3.183 7.613) 9.573 3.501 ( 5.544 -2.911 6.466) 9.001 3.567 ( 3.587 1.539 1.456) 4.166 3.604 ( 3.141 -1.883 2.401) 4.379 4.065 ( -13.184 4.954 0.575) 14.096 4.159 ( -15.516 -4.312 1.796) 16.204 4.575 ( 8.229 10.343 0.725) 13.237 4.756 ( 1.904 -7.251 1.654) 7.677 5.237 ( 6.918 3.128 4.487) 8.819 5.312 ( 7.425 -3.854 6.809) 10.787 5.520 ( 1.575 6.076 5.801) 8.547 5.613 ( -3.810 4.473 5.897) 8.325 5.661 ( -3.449 -2.491 3.586) 5.565 5.794 ( -8.232 -7.993 6.620) 13.247 7.163 ( 7.884 1.021 -3.466) 8.672 7.185 ( 6.197 -1.039 -2.743) 6.856 7.397 ( -2.964 3.027 3.513) 5.504 7.454 ( -4.906 -2.556 3.244) 6.413 8.282 ( 7.978 5.502 0.284) 9.695 8.377 ( 3.883 -3.623 0.431) 5.328 9.542 ( 1.920 6.800 0.056) 7.066 9.655 ( -3.707 -4.022 -2.468) 6.001 9.988 ( 6.036 9.752 2.798) 11.806 10.174 ( 1.735 -4.861 4.543) 6.876 10.279 ( 7.170 4.258 0.236) 8.343 10.366 ( 10.548 -2.402 -0.347) 10.824 10.532 ( -2.912 8.863 0.459) 9.340 10.813 ( -1.082 -15.250 0.381) 15.293 10.863 ( -4.371 1.713 1.130) 4.829 11.038 ( -6.170 -13.017 2.355) 14.596 12.086 ( -0.733 10.112 -1.666) 10.275 12.264 ( -5.969 -7.942 -2.575) 10.263 12.942 ( -1.263 3.035 -0.923) 3.414 12.993 ( -2.963 -2.055 1.107) 3.772 13.888 ( 4.565 5.038 -6.136) 9.158 13.978 ( 2.178 -3.284 -4.550) 6.019 14.247 ( -3.144 3.793 -5.353) 7.275 14.312 ( -4.251 -2.146 -4.542) 6.581 ======================= Grid point 292 (105/120) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.486 -0.136 -2.689) 2.736 2.260 ( 0.486 -0.136 -2.689) 2.736 2.749 ( -2.874 -1.291 -0.119) 3.153 2.749 ( 2.874 -1.291 -0.119) 3.153 3.499 ( -1.987 0.494 7.259) 7.542 3.499 ( 1.987 0.494 7.259) 7.542 3.764 ( -8.355 0.449 -0.065) 8.367 3.764 ( 8.355 0.449 -0.065) 8.367 3.836 ( -10.039 -0.735 3.992) 10.829 3.836 ( 10.039 -0.735 3.992) 10.829 4.729 ( -5.033 2.338 0.246) 5.555 4.729 ( 5.033 2.338 0.246) 5.555 5.359 ( -3.803 2.946 8.026) 9.357 5.359 ( 3.803 2.946 8.026) 9.357 5.579 ( -1.626 -0.379 5.335) 5.590 5.579 ( 1.626 -0.379 5.335) 5.590 5.631 ( -5.525 -3.767 3.981) 7.783 5.631 ( 5.525 -3.767 3.981) 7.783 7.280 ( -0.872 0.278 -5.181) 5.261 7.280 ( 0.871 0.278 -5.181) 5.261 7.354 ( -2.584 -0.107 5.763) 6.316 7.354 ( 2.584 -0.107 5.763) 6.316 8.394 ( -2.498 1.434 0.338) 2.900 8.394 ( 2.498 1.434 0.338) 2.900 9.589 ( -2.750 -0.338 -0.838) 2.895 9.589 ( 2.750 -0.338 -0.838) 2.895 10.116 ( -5.847 4.517 4.081) 8.441 10.116 ( 5.847 4.517 4.081) 8.441 10.421 ( -6.522 11.049 -0.677) 12.848 10.421 ( 6.522 11.049 -0.677) 12.848 10.632 ( -12.648 -8.043 0.919) 15.017 10.632 ( 12.648 -8.043 0.919) 15.017 10.909 ( -5.873 -11.426 1.809) 12.974 10.909 ( 5.873 -11.426 1.809) 12.974 12.148 ( -5.331 1.124 -2.615) 6.043 12.148 ( 5.331 1.124 -2.615) 6.043 12.943 ( -1.493 0.030 -0.964) 1.778 12.943 ( 1.493 0.030 -0.964) 1.778 13.971 ( -2.970 2.927 -4.759) 6.328 13.971 ( 2.970 2.927 -4.759) 6.328 14.237 ( -2.364 -1.140 -4.673) 5.359 14.237 ( 2.364 -1.140 -4.673) 5.359 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 -0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.332 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 -0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 13.171 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.223 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 317 (107/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.713 0.000 0.000) 3.713 2.269 ( -0.578 0.000 0.000) 0.578 2.367 ( -1.092 0.000 0.000) 1.092 3.217 ( -2.973 0.000 0.000) 2.973 3.274 ( 1.884 0.000 0.000) 1.884 3.280 ( 3.465 0.000 0.000) 3.465 3.493 ( 3.266 0.000 0.000) 3.266 3.790 ( -0.911 0.000 0.000) 0.911 3.927 ( -4.026 0.000 0.000) 4.026 4.145 ( 1.610 0.000 0.000) 1.610 4.904 ( 9.844 0.000 0.000) 9.844 4.955 ( 3.462 0.000 0.000) 3.462 5.064 ( -12.290 0.000 -0.000) 12.290 5.093 ( 6.481 0.000 0.000) 6.481 5.273 ( -6.337 0.000 0.000) 6.337 5.627 ( -3.630 0.000 -0.000) 3.630 5.833 ( 4.282 0.000 0.000) 4.282 6.408 ( -3.760 0.000 0.000) 3.760 6.709 ( 6.323 0.000 0.000) 6.323 7.017 ( 2.659 0.000 0.000) 2.659 7.339 ( 0.583 0.000 0.000) 0.583 7.739 ( 6.714 0.000 0.000) 6.714 7.808 ( -5.321 0.000 0.000) 5.321 8.375 ( 2.296 0.000 0.000) 2.296 8.888 ( 6.345 0.000 0.000) 6.345 9.474 ( 2.022 0.000 0.000) 2.022 9.891 ( 4.419 0.000 0.000) 4.419 9.947 ( 6.619 0.000 0.000) 6.619 10.095 ( -2.510 0.000 0.000) 2.510 10.338 ( 5.671 0.000 0.000) 5.671 10.738 ( -8.922 0.000 0.000) 8.922 10.903 ( 3.026 0.000 -0.000) 3.026 10.910 ( 5.474 0.000 0.000) 5.474 11.518 ( 0.299 0.000 0.000) 0.299 12.320 ( -15.018 0.000 0.000) 15.018 12.656 ( 2.718 0.000 0.000) 2.718 12.844 ( -7.345 0.000 0.000) 7.345 13.197 ( 1.299 0.000 0.000) 1.299 13.571 ( 0.978 0.000 0.000) 0.978 14.078 ( 1.695 0.000 0.000) 1.695 14.112 ( -5.229 0.000 0.000) 5.229 14.277 ( 2.301 0.000 0.000) 2.301 ======================= Grid point 319 (108/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.554 0.000 0.000) 0.554 2.337 ( -1.828 0.000 0.000) 1.828 2.385 ( 8.045 0.000 0.000) 8.045 3.126 ( -5.929 0.000 0.000) 5.929 3.331 ( 3.713 0.000 0.000) 3.713 3.384 ( 6.735 0.000 0.000) 6.735 3.538 ( 2.261 0.000 0.000) 2.261 3.819 ( -6.301 0.000 0.000) 6.301 3.883 ( 7.665 0.000 0.000) 7.665 4.144 ( 0.181 0.000 0.000) 0.181 4.724 ( -19.698 0.000 0.000) 19.698 5.051 ( 5.609 0.000 0.000) 5.609 5.135 ( -8.018 0.000 0.000) 8.018 5.162 ( 14.348 0.000 0.000) 14.348 5.275 ( 11.200 0.000 0.000) 11.200 5.532 ( -5.419 0.000 0.000) 5.419 5.881 ( -0.018 0.000 0.000) 0.018 6.289 ( -7.993 0.000 0.000) 7.993 6.881 ( 10.087 0.000 0.000) 10.087 7.091 ( 4.430 0.000 0.000) 4.430 7.352 ( 0.626 0.000 0.000) 0.626 7.681 ( -6.741 0.000 0.000) 6.741 7.920 ( 10.437 0.000 0.000) 10.437 8.419 ( 1.375 0.000 0.000) 1.375 9.078 ( 12.106 0.000 0.000) 12.106 9.532 ( 3.550 0.000 0.000) 3.550 10.004 ( 6.105 0.000 0.000) 6.105 10.027 ( -3.973 0.000 0.000) 3.973 10.085 ( 6.345 0.000 0.000) 6.345 10.453 ( 5.302 0.000 0.000) 5.302 10.499 ( -13.996 0.000 0.000) 13.996 10.991 ( 5.540 0.000 0.000) 5.540 11.155 ( 18.673 0.000 0.000) 18.673 11.500 ( -2.462 0.000 0.000) 2.462 11.927 ( -22.568 0.000 0.000) 22.568 12.645 ( -11.745 0.000 0.000) 11.745 12.727 ( 4.015 0.000 0.000) 4.015 13.183 ( -3.066 0.000 0.000) 3.066 13.606 ( 2.460 0.000 0.000) 2.460 13.999 ( -5.839 0.000 0.000) 5.839 14.125 ( 2.856 0.000 0.000) 2.856 14.304 ( 0.394 0.000 0.000) 0.394 ======================= Grid point 321 (109/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.184 0.000 0.000) 0.184 2.298 ( -1.880 0.000 0.000) 1.880 2.579 ( 10.545 0.000 0.000) 10.545 2.980 ( -8.324 0.000 0.000) 8.324 3.424 ( 5.318 0.000 0.000) 5.318 3.546 ( 8.951 0.000 0.000) 8.951 3.646 ( 9.131 0.000 0.000) 9.131 3.682 ( -6.936 0.000 0.000) 6.936 3.900 ( -5.941 0.000 0.000) 5.941 4.305 ( -20.762 0.000 0.000) 20.762 4.306 ( 14.840 0.000 0.000) 14.840 4.928 ( -12.474 0.000 -0.000) 12.474 5.171 ( 6.085 0.000 0.000) 6.085 5.416 ( -5.905 0.000 0.000) 5.905 5.448 ( 13.151 0.000 0.000) 13.151 5.534 ( 13.906 0.000 0.000) 13.906 5.829 ( -5.018 0.000 0.000) 5.018 6.087 ( -11.739 0.000 0.000) 11.739 7.092 ( 9.826 0.000 0.000) 9.826 7.182 ( 4.041 0.000 0.000) 4.041 7.362 ( 0.422 0.000 0.000) 0.422 7.541 ( -7.078 0.000 0.000) 7.078 8.136 ( 10.214 0.000 0.000) 10.214 8.411 ( -2.437 0.000 0.000) 2.437 9.360 ( 14.789 0.000 0.000) 14.789 9.607 ( 3.314 0.000 0.000) 3.314 9.946 ( -3.475 0.000 0.000) 3.475 10.115 ( 4.457 0.000 0.000) 4.457 10.176 ( 2.056 0.000 0.000) 2.056 10.193 ( -15.335 0.000 0.000) 15.335 10.616 ( 12.443 0.000 0.000) 12.443 11.123 ( 7.243 0.000 0.000) 7.243 11.415 ( -5.791 0.000 -0.000) 5.791 11.439 ( -24.588 0.000 0.000) 24.588 11.600 ( 23.159 0.000 0.000) 23.159 12.378 ( -14.615 0.000 0.000) 14.615 12.817 ( 4.900 0.000 0.000) 4.900 13.077 ( -6.835 0.000 0.000) 6.835 13.672 ( 4.048 0.000 0.000) 4.048 13.879 ( -5.793 0.000 0.000) 5.793 14.189 ( 3.219 0.000 0.000) 3.219 14.293 ( -1.413 0.000 0.000) 1.413 ======================= Grid point 323 (110/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -1.202 0.000 0.000) 1.202 2.265 ( 1.202 0.000 0.000) 1.202 2.792 ( -10.084 0.000 0.000) 10.084 2.792 ( 10.084 0.000 0.000) 10.084 3.545 ( -6.479 0.000 0.000) 6.479 3.545 ( 6.479 0.000 0.000) 6.479 3.735 ( -9.228 0.000 0.000) 9.228 3.735 ( 9.228 0.000 0.000) 9.228 3.914 ( -16.858 0.000 0.000) 16.858 3.914 ( 16.858 0.000 0.000) 16.858 4.634 ( -16.084 0.000 0.000) 16.084 4.634 ( 16.084 0.000 0.000) 16.084 5.295 ( -6.029 0.000 0.000) 6.029 5.295 ( 6.029 0.000 0.000) 6.029 5.680 ( -9.489 0.000 0.000) 9.489 5.680 ( 9.489 0.000 0.000) 9.489 5.822 ( -13.984 0.000 0.000) 13.984 5.822 ( 13.984 0.000 0.000) 13.984 7.223 ( -1.462 0.000 0.000) 1.462 7.223 ( 1.462 0.000 0.000) 1.462 7.405 ( -5.169 0.000 0.000) 5.169 7.405 ( 5.169 0.000 0.000) 5.169 8.315 ( -6.983 0.000 0.000) 6.983 8.315 ( 6.983 0.000 0.000) 6.983 9.606 ( -6.294 0.000 0.000) 6.294 9.606 ( 6.294 0.000 0.000) 6.294 9.944 ( -6.146 0.000 0.000) 6.146 9.944 ( 6.146 0.000 0.000) 6.146 10.177 ( -1.610 0.000 0.000) 1.610 10.177 ( 1.610 0.000 0.000) 1.610 10.965 ( -21.169 0.000 0.000) 21.169 10.965 ( 21.169 0.000 0.000) 21.169 11.276 ( -7.526 0.000 0.000) 7.526 11.276 ( 7.526 0.000 0.000) 7.526 12.038 ( -19.190 0.000 0.000) 19.190 12.038 ( 19.190 0.000 0.000) 19.190 12.933 ( -6.690 0.000 0.000) 6.690 12.933 ( 6.690 0.000 0.000) 6.690 13.767 ( -5.195 0.000 0.000) 5.195 13.767 ( 5.195 0.000 0.000) 5.195 14.250 ( -2.710 0.000 0.000) 2.710 14.250 ( 2.710 0.000 0.000) 2.710 ======================= Grid point 333 (111/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 1.122 0.000) 1.122 2.290 ( 0.000 6.065 -0.000) 6.065 2.371 ( 0.000 -0.754 0.000) 0.754 3.036 ( 0.000 -15.439 0.000) 15.439 3.319 ( 0.000 6.240 -0.000) 6.240 3.324 ( 0.000 7.868 0.000) 7.868 3.551 ( 0.000 5.218 0.000) 5.218 3.832 ( 0.000 -0.533 0.000) 0.533 3.894 ( 0.000 -7.316 0.000) 7.316 4.069 ( 0.000 -4.163 0.000) 4.163 4.871 ( 0.000 7.071 0.000) 7.071 4.929 ( 0.000 0.946 0.000) 0.946 5.014 ( 0.000 -0.954 0.000) 0.954 5.184 ( 0.000 -0.071 0.000) 0.071 5.380 ( 0.000 1.166 0.000) 1.166 5.700 ( 0.000 -6.183 0.000) 6.183 5.747 ( 0.000 7.705 0.000) 7.705 6.370 ( 0.000 -7.251 0.000) 7.251 6.677 ( 0.000 3.373 0.000) 3.373 6.952 ( 0.000 -3.429 0.000) 3.429 7.390 ( 0.000 5.410 0.000) 5.410 7.716 ( 0.000 4.958 0.000) 4.958 7.819 ( 0.000 -4.814 0.000) 4.814 8.267 ( 0.000 -7.684 0.000) 7.684 9.017 ( 0.000 18.523 0.000) 18.523 9.520 ( 0.000 6.279 0.000) 6.279 9.849 ( 0.000 0.527 0.000) 0.527 9.868 ( 0.000 0.107 0.000) 0.107 10.051 ( 0.000 -6.419 0.000) 6.419 10.323 ( 0.000 4.890 0.000) 4.890 10.642 ( 0.000 -20.963 0.000) 20.963 10.801 ( 0.000 -6.407 0.000) 6.407 10.921 ( 0.000 8.060 0.000) 8.060 11.488 ( 0.000 -3.611 0.000) 3.611 12.499 ( 0.000 1.277 0.000) 1.277 12.611 ( 0.000 -1.529 0.000) 1.529 12.955 ( 0.000 2.968 0.000) 2.968 13.154 ( 0.000 -1.659 0.000) 1.659 13.558 ( 0.000 0.583 0.000) 0.583 13.929 ( 0.000 -8.953 0.000) 8.953 14.289 ( 0.000 5.338 0.000) 5.338 14.301 ( 0.000 6.159 0.000) 6.159 ======================= Grid point 335 (112/120) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.892 0.838 0.000) 1.224 2.322 ( 3.255 5.653 -0.000) 6.523 2.358 ( -1.236 -0.893 0.000) 1.525 3.034 ( -0.325 -14.591 0.000) 14.594 3.327 ( 0.706 5.335 -0.000) 5.381 3.336 ( 1.653 5.976 0.000) 6.201 3.558 ( -0.905 2.369 0.000) 2.536 3.830 ( 4.132 4.018 0.000) 5.764 3.860 ( -3.129 -6.420 -0.000) 7.142 4.149 ( 4.065 -0.630 0.000) 4.113 4.895 ( 2.524 0.093 0.000) 2.526 4.966 ( 3.622 1.123 0.000) 3.792 5.052 ( -12.931 -1.304 -0.000) 12.997 5.077 ( 5.974 -1.455 0.000) 6.148 5.331 ( -1.813 5.337 0.000) 5.637 5.709 ( -3.551 7.787 0.000) 8.558 5.777 ( 4.820 -5.397 0.000) 7.236 6.333 ( -3.713 -7.238 0.000) 8.135 6.739 ( 5.872 2.926 0.000) 6.561 6.983 ( 3.037 -3.067 0.000) 4.316 7.392 ( 0.173 4.994 0.000) 4.997 7.769 ( -4.532 -3.926 -0.000) 5.996 7.787 ( 6.738 4.930 0.000) 8.349 8.305 ( 3.469 -6.763 0.000) 7.601 9.066 ( 4.750 17.103 0.000) 17.750 9.537 ( 1.556 5.913 0.000) 6.115 9.899 ( 4.744 0.864 0.000) 4.822 9.950 ( 7.072 0.113 0.000) 7.073 10.024 ( -2.463 -6.362 0.000) 6.822 10.373 ( 4.280 3.753 0.000) 5.693 10.640 ( -1.347 -17.619 0.000) 17.670 10.839 ( 4.683 -6.802 0.000) 8.258 10.876 ( -2.953 6.242 0.000) 6.906 11.478 ( -1.241 -4.986 0.000) 5.138 12.350 ( -13.303 2.879 0.000) 13.611 12.606 ( -1.034 -4.096 0.000) 4.224 12.905 ( -4.057 5.071 0.000) 6.494 13.176 ( 0.993 -2.145 0.000) 2.363 13.574 ( 1.637 1.175 0.000) 2.015 13.947 ( 1.624 -8.211 0.000) 8.370 14.226 ( -3.844 6.810 0.000) 7.820 14.333 ( 0.936 3.904 0.000) 4.014 ======================= Grid point 337 (113/120) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -1.001 0.138 0.000) 1.011 2.324 ( -2.007 -1.191 0.000) 2.334 2.427 ( 7.091 4.321 0.000) 8.304 3.008 ( -2.696 -10.857 0.000) 11.186 3.379 ( 4.905 1.276 -0.000) 5.068 3.385 ( 3.143 5.104 0.000) 5.994 3.540 ( 0.901 -0.739 0.000) 1.165 3.776 ( -4.942 -4.215 0.000) 6.496 4.004 ( 9.171 9.635 0.000) 13.302 4.166 ( -0.485 2.156 0.000) 2.210 4.709 ( -19.141 -1.348 0.000) 19.188 4.958 ( 1.329 -9.369 -0.000) 9.463 5.067 ( 6.012 1.681 0.000) 6.242 5.246 ( 10.288 -2.603 0.000) 10.612 5.344 ( 3.665 9.842 0.000) 10.502 5.615 ( -5.384 7.711 0.000) 9.404 5.835 ( 0.495 -4.469 0.000) 4.497 6.217 ( -7.671 -6.912 0.000) 10.326 6.900 ( 9.484 1.883 0.000) 9.669 7.068 ( 5.045 -2.122 0.000) 5.473 7.394 ( -0.093 3.879 0.000) 3.880 7.658 ( -6.004 -2.362 0.000) 6.452 7.968 ( 10.365 4.754 0.000) 11.403 8.383 ( 3.378 -3.959 0.000) 5.204 9.208 ( 9.100 12.670 0.000) 15.599 9.580 ( 2.608 4.673 0.000) 5.351 9.962 ( -3.262 -5.318 0.000) 6.238 10.021 ( 6.561 1.734 0.000) 6.786 10.114 ( 8.485 2.100 0.000) 8.741 10.453 ( 3.196 0.931 0.000) 3.329 10.521 ( -10.339 -2.390 0.000) 10.612 10.882 ( 3.817 -5.869 0.000) 7.001 11.025 ( 12.665 -11.373 0.000) 17.022 11.425 ( -4.131 -7.700 0.000) 8.738 12.023 ( -16.813 8.231 0.000) 18.719 12.533 ( -6.812 -7.280 0.000) 9.970 12.839 ( -1.372 7.119 0.000) 7.250 13.159 ( -2.987 -2.415 -0.000) 3.841 13.626 ( 3.487 2.614 0.000) 4.358 13.976 ( 0.382 -4.277 0.000) 4.294 14.155 ( -2.248 4.824 0.000) 5.322 14.333 ( -0.963 1.741 0.000) 1.990 ======================= Grid point 339 (114/120) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.188 -0.649 0.000) 0.676 2.283 ( -1.938 -1.375 0.000) 2.377 2.597 ( 9.061 1.930 0.000) 9.264 2.919 ( -5.894 -5.752 0.000) 8.235 3.462 ( 4.345 3.511 -0.000) 5.586 3.529 ( 9.493 -0.646 0.000) 9.515 3.634 ( 8.732 -1.366 0.000) 8.838 3.668 ( -5.469 -1.472 0.000) 5.664 3.961 ( -9.097 4.942 0.000) 10.353 4.254 ( -11.982 -3.210 0.000) 12.404 4.402 ( 6.511 7.512 0.000) 9.941 4.893 ( -7.709 -3.786 0.000) 8.588 5.200 ( 6.804 2.819 0.000) 7.365 5.440 ( 1.712 0.046 0.000) 1.712 5.484 ( 9.050 3.563 0.000) 9.726 5.541 ( 4.870 2.823 0.000) 5.629 5.794 ( -4.389 -3.377 0.000) 5.538 6.025 ( -11.095 -5.978 0.000) 12.603 7.099 ( 9.286 0.746 0.000) 9.316 7.173 ( 4.728 -0.889 0.000) 4.811 7.387 ( -0.472 2.341 0.000) 2.389 7.531 ( -6.467 -1.060 0.000) 6.553 8.180 ( 9.859 4.182 0.000) 10.709 8.415 ( -0.703 -0.191 0.000) 0.728 9.417 ( 10.620 5.356 0.000) 11.895 9.629 ( 1.366 1.617 0.000) 2.116 9.917 ( -0.043 -0.531 0.000) 0.532 10.146 ( 5.518 3.287 0.000) 6.423 10.249 ( 3.043 6.779 0.000) 7.431 10.268 ( -13.510 5.233 0.000) 14.488 10.565 ( 10.205 -4.519 0.000) 11.161 10.999 ( 7.149 -10.372 0.000) 12.597 11.161 ( -5.804 -17.704 0.000) 18.631 11.311 ( -6.900 -9.917 0.000) 12.082 11.834 ( 3.568 13.305 0.000) 13.775 12.340 ( -11.589 -3.645 0.000) 12.149 12.853 ( 2.414 3.335 0.000) 4.117 13.060 ( -6.253 -1.745 0.000) 6.492 13.713 ( 4.996 4.147 0.000) 6.493 13.930 ( -4.522 3.424 0.000) 5.672 14.164 ( 2.687 -1.301 0.000) 2.985 14.296 ( -2.599 -0.288 0.000) 2.615 ======================= Grid point 341 (115/120) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.039 -1.210 0.000) 1.595 2.251 ( 1.039 -1.210 0.000) 1.595 2.775 ( -8.130 -1.499 0.000) 8.267 2.775 ( 8.130 -1.499 0.000) 8.267 3.559 ( -5.169 1.239 0.000) 5.315 3.559 ( 5.169 1.239 0.000) 5.315 3.742 ( -10.671 0.651 0.000) 10.691 3.742 ( 10.671 0.651 0.000) 10.691 3.900 ( -16.014 -1.261 0.000) 16.064 3.900 ( 16.014 -1.261 0.000) 16.064 4.671 ( -13.379 3.232 0.000) 13.763 4.671 ( 13.379 3.232 0.000) 13.763 5.338 ( -6.680 4.182 0.000) 7.881 5.338 ( 6.680 4.182 0.000) 7.881 5.665 ( -8.066 -1.375 0.000) 8.182 5.665 ( 8.066 -1.375 0.000) 8.182 5.777 ( -12.979 -4.347 0.000) 13.688 5.777 ( 12.979 -4.347 0.000) 13.688 7.224 ( -1.329 0.061 0.000) 1.331 7.224 ( 1.329 0.061 0.000) 1.331 7.410 ( -4.178 0.432 0.000) 4.200 7.410 ( 4.178 0.432 0.000) 4.200 8.346 ( -6.031 2.704 0.000) 6.609 8.346 ( 6.031 2.704 0.000) 6.609 9.592 ( -5.527 -1.139 0.000) 5.643 9.592 ( 5.527 -1.139 0.000) 5.643 10.016 ( -9.889 6.752 0.000) 11.975 10.016 ( 9.890 6.752 0.000) 11.975 10.237 ( -3.162 5.955 0.000) 6.742 10.237 ( 3.162 5.955 0.000) 6.742 10.867 ( -17.643 -9.126 0.000) 19.864 10.867 ( 17.643 -9.126 0.000) 19.864 11.157 ( -8.010 -10.916 0.000) 13.540 11.157 ( 8.010 -10.916 0.000) 13.540 12.071 ( -14.538 2.765 0.000) 14.798 12.071 ( 14.538 2.765 0.000) 14.798 12.934 ( -5.480 0.028 0.000) 5.480 12.934 ( 5.480 0.028 0.000) 5.480 13.823 ( -5.599 4.971 0.000) 7.487 13.823 ( 5.599 4.971 0.000) 7.487 14.232 ( -3.515 -1.778 0.000) 3.939 14.232 ( 3.515 -1.778 0.000) 3.939 ======================= Grid point 351 (116/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 1.693 0.000) 1.693 2.349 ( 0.000 -1.487 -0.000) 1.487 2.463 ( 0.000 11.184 0.000) 11.184 2.725 ( 0.000 -14.997 0.000) 14.997 3.488 ( 0.000 10.354 -0.000) 10.354 3.511 ( 0.000 9.168 0.000) 9.168 3.607 ( 0.000 -0.090 0.000) 0.090 3.706 ( 0.000 -10.911 -0.000) 10.911 3.834 ( 0.000 1.642 0.000) 1.642 3.936 ( 0.000 -7.922 0.000) 7.922 4.955 ( 0.000 1.598 -0.000) 1.598 4.988 ( 0.000 -1.608 0.000) 1.608 5.045 ( 0.000 8.790 0.000) 8.790 5.163 ( 0.000 -2.826 0.000) 2.826 5.424 ( 0.000 3.808 0.000) 3.808 5.547 ( 0.000 -8.121 0.000) 8.121 5.946 ( 0.000 11.582 0.000) 11.582 6.180 ( 0.000 -11.344 0.000) 11.344 6.764 ( 0.000 5.039 0.000) 5.039 6.866 ( 0.000 -4.985 0.000) 4.985 7.528 ( 0.000 8.041 0.000) 8.041 7.690 ( 0.000 -7.819 0.000) 7.819 7.864 ( 0.000 9.619 0.000) 9.619 8.074 ( 0.000 -10.919 0.000) 10.919 9.492 ( 0.000 26.861 0.000) 26.861 9.671 ( 0.000 7.659 0.000) 7.659 9.861 ( 0.000 0.575 0.000) 0.575 9.868 ( 0.000 -0.141 -0.000) 0.141 9.902 ( 0.000 -7.229 -0.000) 7.229 10.131 ( 0.000 -28.141 0.000) 28.141 10.458 ( 0.000 8.361 0.000) 8.361 10.638 ( 0.000 -9.288 0.000) 9.288 11.122 ( 0.000 11.533 0.000) 11.533 11.346 ( 0.000 -10.133 0.000) 10.133 12.531 ( 0.000 1.938 0.000) 1.938 12.573 ( 0.000 -2.143 0.000) 2.143 13.029 ( 0.000 4.117 0.000) 4.117 13.105 ( 0.000 -3.309 0.000) 3.309 13.615 ( 0.000 5.256 0.000) 5.256 13.754 ( 0.000 -8.299 0.000) 8.299 14.380 ( 0.000 2.935 0.000) 2.935 14.388 ( 0.000 2.216 0.000) 2.216 ======================= Grid point 353 (117/120) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -1.371 1.530 0.000) 2.054 2.333 ( -1.462 -1.568 -0.000) 2.144 2.485 ( 2.267 10.659 0.000) 10.898 2.736 ( 1.122 -14.419 0.000) 14.462 3.452 ( -3.171 6.296 -0.000) 7.049 3.495 ( 0.677 9.595 0.000) 9.619 3.548 ( -4.369 -3.032 0.000) 5.318 3.694 ( -1.153 -9.798 -0.000) 9.865 3.943 ( 10.423 7.033 0.000) 12.574 4.083 ( 9.731 -6.049 0.000) 11.458 4.934 ( -8.799 3.578 -0.000) 9.499 4.998 ( 4.142 1.975 0.000) 4.589 5.008 ( -13.156 -3.226 0.000) 13.545 5.040 ( 5.003 -2.147 0.000) 5.444 5.467 ( 3.760 8.070 0.000) 8.902 5.635 ( 5.474 -8.355 0.000) 9.989 5.909 ( -3.524 11.613 0.000) 12.136 6.143 ( -3.604 -11.332 0.000) 11.892 6.815 ( 4.900 4.479 0.000) 6.638 6.906 ( 3.881 -4.474 0.000) 5.923 7.518 ( -0.963 7.226 0.000) 7.290 7.660 ( -2.725 -6.699 0.000) 7.232 7.931 ( 6.351 9.233 0.000) 11.206 8.130 ( 5.211 -10.156 0.000) 11.415 9.495 ( 0.356 22.801 0.000) 22.803 9.681 ( 0.547 6.696 0.000) 6.718 9.887 ( -0.600 -4.528 0.000) 4.568 9.922 ( 5.707 1.280 0.000) 5.849 9.944 ( 6.918 -0.789 -0.000) 6.963 10.173 ( 3.512 -25.962 0.000) 26.198 10.490 ( 2.749 7.852 0.000) 8.319 10.668 ( 3.238 -9.550 0.000) 10.084 11.073 ( -4.547 11.952 0.000) 12.788 11.312 ( -3.407 -11.153 0.000) 11.662 12.424 ( -9.468 4.379 0.000) 10.432 12.516 ( -5.310 -4.733 0.000) 7.114 13.014 ( -1.338 5.535 0.000) 5.694 13.113 ( 0.135 -4.190 0.000) 4.192 13.642 ( 2.589 5.604 0.000) 6.173 13.782 ( 2.658 -8.082 0.000) 8.508 14.344 ( -2.896 4.366 0.000) 5.239 14.383 ( -1.156 0.501 0.000) 1.260 ======================= Grid point 355 (118/120) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -1.806 1.013 0.000) 2.071 2.294 ( -2.177 -1.636 0.000) 2.724 2.557 ( 4.743 8.743 0.000) 9.946 2.767 ( 1.595 -12.088 0.000) 12.192 3.433 ( 1.890 3.589 0.000) 4.057 3.502 ( 0.624 -2.960 -0.000) 3.026 3.515 ( 1.238 7.485 0.000) 7.587 3.662 ( -1.842 -6.928 0.000) 7.168 4.174 ( 9.523 5.926 0.000) 11.216 4.213 ( 1.094 1.450 0.000) 1.817 4.697 ( -14.734 1.268 0.000) 14.789 4.786 ( -4.371 -7.351 -0.000) 8.552 5.116 ( 7.194 3.088 0.000) 7.829 5.183 ( 8.801 -3.500 0.000) 9.472 5.537 ( 2.699 9.500 0.000) 9.876 5.711 ( 1.622 -7.802 0.000) 7.969 5.810 ( -6.050 11.226 0.000) 12.753 6.035 ( -6.924 -10.893 0.000) 12.907 6.951 ( 8.052 3.061 0.000) 8.614 7.014 ( 6.423 -3.140 0.000) 7.149 7.489 ( -1.861 5.310 0.000) 5.626 7.589 ( -4.105 -4.446 0.000) 6.051 8.099 ( 9.461 8.038 0.000) 12.414 8.262 ( 7.002 -7.749 0.000) 10.444 9.509 ( 0.992 14.286 0.000) 14.320 9.671 ( -1.722 0.029 0.000) 1.723 9.913 ( 3.542 6.350 0.000) 7.271 10.070 ( 8.271 3.032 0.000) 8.809 10.124 ( 10.342 -1.652 0.000) 10.473 10.247 ( 3.113 -20.918 0.000) 21.148 10.541 ( 1.607 8.570 0.000) 8.719 10.768 ( 5.562 -13.303 0.000) 14.419 10.959 ( -5.906 10.995 0.000) 12.481 11.211 ( -6.351 -12.958 0.000) 14.431 12.204 ( -10.555 9.287 0.000) 14.059 12.379 ( -7.484 -8.286 0.000) 11.166 12.976 ( -2.308 6.457 0.000) 6.857 13.088 ( -2.742 -4.695 0.000) 5.437 13.717 ( 4.652 6.220 0.000) 7.767 13.854 ( 4.153 -7.127 0.000) 8.249 14.270 ( -4.135 5.350 0.000) 6.762 14.340 ( -2.995 -1.463 0.000) 3.333 ======================= Grid point 357 (119/120) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -1.045 0.186 0.000) 1.061 2.253 ( -1.758 -1.387 0.000) 2.239 2.662 ( 5.095 4.789 0.000) 6.993 2.783 ( -0.370 -7.085 0.000) 7.094 3.543 ( 8.845 1.928 -0.000) 9.052 3.545 ( 1.653 4.401 0.000) 4.702 3.592 ( 8.390 -2.660 0.000) 8.802 3.622 ( -2.037 -3.192 -0.000) 3.786 4.066 ( -12.098 5.488 0.000) 13.285 4.172 ( -13.226 -4.932 0.000) 14.115 4.587 ( 6.131 10.210 0.000) 11.909 4.774 ( 0.611 -8.070 0.000) 8.093 5.278 ( 8.497 4.890 0.000) 9.804 5.379 ( 9.636 -4.830 0.000) 10.779 5.582 ( 2.148 5.934 0.000) 6.310 5.675 ( -6.497 9.207 0.000) 11.269 5.702 ( -2.273 -5.720 0.000) 6.155 5.867 ( -9.411 -9.429 0.000) 13.322 7.120 ( 7.924 1.353 0.000) 8.039 7.149 ( 6.240 -1.426 0.000) 6.401 7.443 ( -2.526 3.052 0.000) 3.962 7.498 ( -4.786 -2.272 0.000) 5.298 8.284 ( 7.970 5.703 0.000) 9.800 8.381 ( 3.841 -3.493 0.000) 5.191 9.535 ( 1.589 5.609 0.000) 5.829 9.623 ( -2.621 -2.836 0.000) 3.862 10.022 ( 6.748 11.567 0.000) 13.391 10.243 ( 8.570 6.167 -0.000) 10.558 10.267 ( -1.952 -8.449 0.000) 8.672 10.353 ( 11.627 -1.970 0.000) 11.793 10.538 ( -1.719 7.831 0.000) 8.017 10.812 ( -3.120 -16.800 0.000) 17.088 10.877 ( -1.103 2.499 0.000) 2.732 11.066 ( -7.524 -13.247 0.000) 15.234 12.068 ( -1.634 10.172 0.000) 10.303 12.236 ( -6.323 -6.856 0.000) 9.327 12.932 ( -1.577 4.240 0.000) 4.524 13.009 ( -4.516 -3.345 0.000) 5.620 13.822 ( 5.492 6.233 0.000) 8.308 13.931 ( 2.650 -3.772 0.000) 4.610 14.191 ( -2.898 3.869 0.000) 4.834 14.266 ( -4.073 -2.863 0.000) 4.978 ======================= Grid point 359 (120/120) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.433 -0.719 0.000) 0.839 2.229 ( 0.433 -0.719 0.000) 0.839 2.748 ( -3.087 -0.895 0.000) 3.215 2.748 ( 3.087 -0.895 0.000) 3.215 3.581 ( -1.931 0.727 0.000) 2.063 3.581 ( 1.931 0.727 0.000) 2.063 3.756 ( -6.954 0.610 0.000) 6.981 3.756 ( 6.954 0.610 0.000) 6.981 3.875 ( -8.664 -0.962 0.000) 8.717 3.875 ( 8.664 -0.962 0.000) 8.717 4.731 ( -5.383 2.038 0.000) 5.756 4.731 ( 5.383 2.038 0.000) 5.756 5.440 ( -6.043 4.939 0.000) 7.805 5.440 ( 6.043 4.939 0.000) 7.805 5.638 ( -3.375 -0.948 0.000) 3.506 5.638 ( 3.375 -0.948 0.000) 3.506 5.672 ( -8.373 -5.027 0.000) 9.766 5.672 ( 8.373 -5.027 0.000) 9.766 7.225 ( -0.586 0.032 0.000) 0.587 7.225 ( 0.586 0.032 0.000) 0.587 7.418 ( -1.593 0.274 0.000) 1.617 7.418 ( 1.593 0.274 0.000) 1.617 8.396 ( -2.540 1.670 0.000) 3.040 8.396 ( 2.540 1.670 0.000) 3.040 9.573 ( -2.183 -0.552 0.000) 2.251 9.573 ( 2.183 -0.552 0.000) 2.251 10.168 ( -6.948 6.465 0.000) 9.491 10.168 ( 6.948 6.465 0.000) 9.491 10.404 ( -6.471 10.429 0.000) 12.273 10.404 ( 6.471 10.429 0.000) 12.273 10.645 ( -11.453 -12.165 0.000) 16.708 10.645 ( 11.453 -12.165 0.000) 16.708 10.927 ( -5.440 -9.044 0.000) 10.554 10.927 ( 5.440 -9.044 0.000) 10.554 12.119 ( -5.119 1.487 0.000) 5.331 12.119 ( 5.119 1.487 0.000) 5.331 12.934 ( -2.136 0.017 0.000) 2.136 12.934 ( 2.136 0.017 0.000) 2.136 13.922 ( -3.566 3.710 0.000) 5.146 13.922 ( 3.566 3.710 0.000) 5.146 14.190 ( -2.729 -1.887 0.000) 3.318 14.190 ( 2.729 -1.887 0.000) 3.318 =================== 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 3/23520 10.0 3283.646 3957.924 3676.439 0.000 0.000 0.000 3/23520 20.0 642.056 654.135 719.107 0.000 0.000 0.000 3/23520 30.0 220.462 231.873 289.339 0.000 0.000 0.000 3/23520 40.0 113.342 121.961 164.809 0.000 0.000 0.000 3/23520 50.0 71.498 77.222 109.819 0.000 0.000 0.000 3/23520 60.0 50.391 54.243 79.458 0.000 0.000 0.000 3/23520 70.0 38.023 40.731 60.634 0.000 0.000 0.000 3/23520 80.0 30.072 32.063 48.140 0.000 0.000 0.000 3/23520 90.0 24.629 26.155 39.443 0.000 0.000 0.000 3/23520 100.0 20.726 21.937 33.156 0.000 0.000 0.000 3/23520 110.0 17.824 18.815 28.466 0.000 0.000 0.000 3/23520 120.0 15.600 16.433 24.870 0.000 0.000 0.000 3/23520 130.0 13.852 14.568 22.048 0.000 0.000 0.000 3/23520 140.0 12.449 13.076 19.786 0.000 0.000 0.000 3/23520 150.0 11.301 11.860 17.940 0.000 0.000 0.000 3/23520 160.0 10.347 10.851 16.409 0.000 0.000 0.000 3/23520 170.0 9.542 10.003 15.121 0.000 0.000 0.000 3/23520 180.0 8.856 9.280 14.023 0.000 0.000 0.000 3/23520 190.0 8.263 8.658 13.078 0.000 0.000 0.000 3/23520 200.0 7.747 8.116 12.256 0.000 0.000 0.000 3/23520 210.0 7.293 7.640 11.534 0.000 0.000 0.000 3/23520 220.0 6.890 7.219 10.896 0.000 0.000 0.000 3/23520 230.0 6.532 6.844 10.327 0.000 0.000 0.000 3/23520 240.0 6.210 6.507 9.817 0.000 0.000 0.000 3/23520 250.0 5.919 6.203 9.356 0.000 0.000 0.000 3/23520 260.0 5.655 5.927 8.939 0.000 0.000 0.000 3/23520 270.0 5.414 5.676 8.559 0.000 0.000 0.000 3/23520 280.0 5.194 5.446 8.211 0.000 0.000 0.000 3/23520 290.0 4.992 5.235 7.891 0.000 0.000 0.000 3/23520 300.0 4.805 5.040 7.596 0.000 0.000 0.000 3/23520 310.0 4.632 4.859 7.323 0.000 0.000 0.000 3/23520 320.0 4.472 4.692 7.070 0.000 0.000 0.000 3/23520 330.0 4.323 4.536 6.834 0.000 0.000 0.000 3/23520 340.0 4.183 4.390 6.614 0.000 0.000 0.000 3/23520 350.0 4.053 4.254 6.408 0.000 0.000 0.000 3/23520 360.0 3.930 4.126 6.216 0.000 0.000 0.000 3/23520 370.0 3.816 4.006 6.034 0.000 0.000 0.000 3/23520 380.0 3.707 3.893 5.863 0.000 0.000 0.000 3/23520 390.0 3.605 3.786 5.702 0.000 0.000 0.000 3/23520 400.0 3.509 3.685 5.550 0.000 0.000 0.000 3/23520 410.0 3.417 3.589 5.406 0.000 0.000 0.000 3/23520 420.0 3.331 3.499 5.269 0.000 0.000 0.000 3/23520 430.0 3.249 3.413 5.140 0.000 0.000 0.000 3/23520 440.0 3.171 3.331 5.016 0.000 0.000 0.000 3/23520 450.0 3.096 3.253 4.899 0.000 0.000 0.000 3/23520 460.0 3.025 3.179 4.787 0.000 0.000 0.000 3/23520 470.0 2.958 3.108 4.680 0.000 0.000 0.000 3/23520 480.0 2.893 3.040 4.578 0.000 0.000 0.000 3/23520 490.0 2.831 2.976 4.481 0.000 0.000 0.000 3/23520 500.0 2.772 2.914 4.387 0.000 0.000 0.000 3/23520 510.0 2.715 2.854 4.298 0.000 0.000 0.000 3/23520 520.0 2.661 2.797 4.212 0.000 0.000 0.000 3/23520 530.0 2.609 2.742 4.129 0.000 0.000 0.000 3/23520 540.0 2.558 2.690 4.050 0.000 0.000 0.000 3/23520 550.0 2.510 2.639 3.974 0.000 0.000 0.000 3/23520 560.0 2.464 2.591 3.900 0.000 0.000 0.000 3/23520 570.0 2.419 2.544 3.830 0.000 0.000 0.000 3/23520 580.0 2.376 2.498 3.762 0.000 0.000 0.000 3/23520 590.0 2.334 2.455 3.696 0.000 0.000 0.000 3/23520 600.0 2.294 2.413 3.632 0.000 0.000 0.000 3/23520 610.0 2.255 2.372 3.571 0.000 0.000 0.000 3/23520 620.0 2.218 2.333 3.512 0.000 0.000 0.000 3/23520 630.0 2.182 2.295 3.455 0.000 0.000 0.000 3/23520 640.0 2.147 2.258 3.399 0.000 0.000 0.000 3/23520 650.0 2.113 2.222 3.346 0.000 0.000 0.000 3/23520 660.0 2.080 2.188 3.294 0.000 0.000 0.000 3/23520 670.0 2.048 2.155 3.244 0.000 0.000 0.000 3/23520 680.0 2.017 2.122 3.195 0.000 0.000 0.000 3/23520 690.0 1.987 2.091 3.148 0.000 0.000 0.000 3/23520 700.0 1.958 2.060 3.102 0.000 0.000 0.000 3/23520 710.0 1.930 2.031 3.057 0.000 0.000 0.000 3/23520 720.0 1.903 2.002 3.014 0.000 0.000 0.000 3/23520 730.0 1.876 1.974 2.972 0.000 0.000 0.000 3/23520 740.0 1.850 1.947 2.931 0.000 0.000 0.000 3/23520 750.0 1.825 1.920 2.891 0.000 0.000 0.000 3/23520 760.0 1.801 1.895 2.852 0.000 0.000 0.000 3/23520 770.0 1.777 1.870 2.815 0.000 0.000 0.000 3/23520 780.0 1.754 1.845 2.778 0.000 0.000 0.000 3/23520 790.0 1.731 1.822 2.742 0.000 0.000 0.000 3/23520 800.0 1.709 1.798 2.707 0.000 0.000 0.000 3/23520 810.0 1.688 1.776 2.673 0.000 0.000 0.000 3/23520 820.0 1.667 1.754 2.640 0.000 0.000 0.000 3/23520 830.0 1.646 1.732 2.608 0.000 0.000 0.000 3/23520 840.0 1.626 1.711 2.576 0.000 0.000 0.000 3/23520 850.0 1.607 1.691 2.546 0.000 0.000 0.000 3/23520 860.0 1.588 1.671 2.516 0.000 0.000 0.000 3/23520 870.0 1.569 1.652 2.486 0.000 0.000 0.000 3/23520 880.0 1.551 1.633 2.458 0.000 0.000 0.000 3/23520 890.0 1.534 1.614 2.430 0.000 0.000 0.000 3/23520 900.0 1.516 1.596 2.402 0.000 0.000 0.000 3/23520 910.0 1.499 1.578 2.376 0.000 0.000 0.000 3/23520 920.0 1.483 1.561 2.350 0.000 0.000 0.000 3/23520 930.0 1.467 1.544 2.324 0.000 0.000 0.000 3/23520 940.0 1.451 1.527 2.299 0.000 0.000 0.000 3/23520 950.0 1.436 1.511 2.275 0.000 0.000 0.000 3/23520 960.0 1.420 1.495 2.251 0.000 0.000 0.000 3/23520 970.0 1.406 1.479 2.227 0.000 0.000 0.000 3/23520 980.0 1.391 1.464 2.204 0.000 0.000 0.000 3/23520 990.0 1.377 1.449 2.182 0.000 0.000 0.000 3/23520 1000.0 1.363 1.435 2.160 0.000 0.000 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m8514.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:57:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|