----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:30:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.631672740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.631672740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.515819380000000 Atomic positions (fractional): *1 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 *3 H 0.00000000000000 0.21761804517545 0.60914541769987 1.008 4 H 0.78238195482455 0.00000000000000 0.39085458230012 1.008 5 H 0.00000000000000 0.78238195482455 0.60914541769987 1.008 6 H 0.50000000000000 0.71761804517545 0.89085458230013 1.008 7 H 0.71761804517545 0.50000000000000 0.10914541769987 1.008 8 H 0.28238195482455 0.50000000000000 0.10914541769987 1.008 9 H 0.50000000000000 0.28238195482455 0.89085458230013 1.008 10 H 0.21761804517545 0.00000000000000 0.39085458230012 1.008 *11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.631672740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.631672740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.515819380000000 Atomic positions (fractional): *1 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 2 *3 H 0.00000000000000 0.21761804517545 0.60914541769987 1.008 > 3 4 H 0.78238195482455 0.00000000000000 0.39085458230012 1.008 > 4 5 H 0.00000000000000 0.78238195482455 0.60914541769987 1.008 > 5 6 H 0.50000000000000 0.71761804517545 0.89085458230013 1.008 > 6 7 H 0.71761804517545 0.50000000000000 0.10914541769987 1.008 > 7 8 H 0.28238195482455 0.50000000000000 0.10914541769987 1.008 > 8 9 H 0.50000000000000 0.28238195482455 0.89085458230013 1.008 > 9 10 H 0.21761804517545 0.00000000000000 0.39085458230012 1.008 > 10 *11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 11 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.263345480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.263345480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.031638760000000 Atomic positions (fractional): *1 B 0.25000000000000 0.25000000000000 0.00000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.00000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.00000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.00000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.50000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 2 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 2 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 2 13 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 14 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 2 15 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 2 16 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 2 *17 H 0.00000000000000 0.10880902258773 0.30457270884994 1.008 > 3 18 H 0.50000000000000 0.10880902258773 0.30457270884994 1.008 > 3 19 H 0.00000000000000 0.60880902258773 0.30457270884994 1.008 > 3 20 H 0.50000000000000 0.60880902258773 0.30457270884994 1.008 > 3 21 H 0.00000000000000 0.10880902258773 0.80457270884994 1.008 > 3 22 H 0.50000000000000 0.10880902258773 0.80457270884994 1.008 > 3 23 H 0.00000000000000 0.60880902258773 0.80457270884994 1.008 > 3 24 H 0.50000000000000 0.60880902258773 0.80457270884994 1.008 > 3 25 H 0.39119097741227 0.00000000000000 0.19542729115006 1.008 > 4 26 H 0.89119097741227 0.00000000000000 0.19542729115006 1.008 > 4 27 H 0.39119097741227 0.50000000000000 0.19542729115006 1.008 > 4 28 H 0.89119097741227 0.50000000000000 0.19542729115006 1.008 > 4 29 H 0.39119097741227 0.00000000000000 0.69542729115006 1.008 > 4 30 H 0.89119097741227 0.00000000000000 0.69542729115006 1.008 > 4 31 H 0.39119097741227 0.50000000000000 0.69542729115006 1.008 > 4 32 H 0.89119097741227 0.50000000000000 0.69542729115006 1.008 > 4 33 H 0.00000000000000 0.39119097741227 0.30457270884994 1.008 > 5 34 H 0.50000000000000 0.39119097741227 0.30457270884994 1.008 > 5 35 H 0.00000000000000 0.89119097741227 0.30457270884994 1.008 > 5 36 H 0.50000000000000 0.89119097741227 0.30457270884994 1.008 > 5 37 H 0.00000000000000 0.39119097741227 0.80457270884994 1.008 > 5 38 H 0.50000000000000 0.39119097741227 0.80457270884994 1.008 > 5 39 H 0.00000000000000 0.89119097741227 0.80457270884994 1.008 > 5 40 H 0.50000000000000 0.89119097741227 0.80457270884994 1.008 > 5 41 H 0.25000000000000 0.35880902258773 0.44542729115006 1.008 > 6 42 H 0.75000000000000 0.35880902258773 0.44542729115006 1.008 > 6 43 H 0.25000000000000 0.85880902258773 0.44542729115006 1.008 > 6 44 H 0.75000000000000 0.85880902258773 0.44542729115006 1.008 > 6 45 H 0.25000000000000 0.35880902258773 0.94542729115006 1.008 > 6 46 H 0.75000000000000 0.35880902258773 0.94542729115006 1.008 > 6 47 H 0.25000000000000 0.85880902258773 0.94542729115006 1.008 > 6 48 H 0.75000000000000 0.85880902258773 0.94542729115006 1.008 > 6 49 H 0.35880902258773 0.25000000000000 0.05457270884994 1.008 > 7 50 H 0.85880902258773 0.25000000000000 0.05457270884994 1.008 > 7 51 H 0.35880902258773 0.75000000000000 0.05457270884994 1.008 > 7 52 H 0.85880902258773 0.75000000000000 0.05457270884994 1.008 > 7 53 H 0.35880902258773 0.25000000000000 0.55457270884994 1.008 > 7 54 H 0.85880902258773 0.25000000000000 0.55457270884994 1.008 > 7 55 H 0.35880902258773 0.75000000000000 0.55457270884994 1.008 > 7 56 H 0.85880902258773 0.75000000000000 0.55457270884994 1.008 > 7 57 H 0.14119097741227 0.25000000000000 0.05457270884994 1.008 > 8 58 H 0.64119097741227 0.25000000000000 0.05457270884994 1.008 > 8 59 H 0.14119097741227 0.75000000000000 0.05457270884994 1.008 > 8 60 H 0.64119097741227 0.75000000000000 0.05457270884994 1.008 > 8 61 H 0.14119097741227 0.25000000000000 0.55457270884994 1.008 > 8 62 H 0.64119097741227 0.25000000000000 0.55457270884994 1.008 > 8 63 H 0.14119097741227 0.75000000000000 0.55457270884994 1.008 > 8 64 H 0.64119097741227 0.75000000000000 0.55457270884994 1.008 > 8 65 H 0.25000000000000 0.14119097741227 0.44542729115006 1.008 > 9 66 H 0.75000000000000 0.14119097741227 0.44542729115006 1.008 > 9 67 H 0.25000000000000 0.64119097741227 0.44542729115006 1.008 > 9 68 H 0.75000000000000 0.64119097741227 0.44542729115006 1.008 > 9 69 H 0.25000000000000 0.14119097741227 0.94542729115006 1.008 > 9 70 H 0.75000000000000 0.14119097741227 0.94542729115006 1.008 > 9 71 H 0.25000000000000 0.64119097741227 0.94542729115006 1.008 > 9 72 H 0.75000000000000 0.64119097741227 0.94542729115006 1.008 > 9 73 H 0.10880902258773 0.00000000000000 0.19542729115006 1.008 > 10 74 H 0.60880902258773 0.00000000000000 0.19542729115006 1.008 > 10 75 H 0.10880902258773 0.50000000000000 0.19542729115006 1.008 > 10 76 H 0.60880902258773 0.50000000000000 0.19542729115006 1.008 > 10 77 H 0.10880902258773 0.00000000000000 0.69542729115006 1.008 > 10 78 H 0.60880902258773 0.00000000000000 0.69542729115006 1.008 > 10 79 H 0.10880902258773 0.50000000000000 0.69542729115006 1.008 > 10 80 H 0.60880902258773 0.50000000000000 0.69542729115006 1.008 > 10 *81 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 11 82 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 11 83 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 11 84 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 11 85 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 11 86 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 11 87 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 11 88 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 11 89 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 > 12 90 K 0.75000000000000 0.25000000000000 0.25000000000000 39.098 > 12 91 K 0.25000000000000 0.75000000000000 0.25000000000000 39.098 > 12 92 K 0.75000000000000 0.75000000000000 0.25000000000000 39.098 > 12 93 K 0.25000000000000 0.25000000000000 0.75000000000000 39.098 > 12 94 K 0.75000000000000 0.25000000000000 0.75000000000000 39.098 > 12 95 K 0.25000000000000 0.75000000000000 0.75000000000000 39.098 > 12 96 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4509532 0.0000000 0.0000000 0.0000000 2.4509532 0.0000000 0.0000000 0.0000000 2.4173921 -------------------------- Born effective charges -------------------------- 1 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 2 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 3 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 4 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 5 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 6 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 7 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 8 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 9 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 10 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 11 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 12 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.292 Solver_block: 160 / 160 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.522 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:30:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:30:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.631672740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.631672740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.515819380000000 Atomic positions (fractional): 1 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 3 H 0.00000000000000 0.21761804517545 0.60914541769987 1.008 4 H 0.78238195482455 0.00000000000000 0.39085458230012 1.008 5 H 0.00000000000000 0.78238195482455 0.60914541769987 1.008 6 H 0.50000000000000 0.71761804517545 0.89085458230013 1.008 7 H 0.71761804517545 0.50000000000000 0.10914541769987 1.008 8 H 0.28238195482455 0.50000000000000 0.10914541769987 1.008 9 H 0.50000000000000 0.28238195482455 0.89085458230013 1.008 10 H 0.21761804517545 0.00000000000000 0.39085458230012 1.008 11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.263345480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.263345480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.031638760000000 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.00000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.00000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.00000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.00000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.50000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 9 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 9 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 9 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 9 13 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 9 14 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 9 15 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 9 16 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 9 17 H 0.00000000000000 0.10880902258773 0.30457270884994 1.008 > 17 18 H 0.50000000000000 0.10880902258773 0.30457270884994 1.008 > 17 19 H 0.00000000000000 0.60880902258773 0.30457270884994 1.008 > 17 20 H 0.50000000000000 0.60880902258773 0.30457270884994 1.008 > 17 21 H 0.00000000000000 0.10880902258773 0.80457270884994 1.008 > 17 22 H 0.50000000000000 0.10880902258773 0.80457270884994 1.008 > 17 23 H 0.00000000000000 0.60880902258773 0.80457270884994 1.008 > 17 24 H 0.50000000000000 0.60880902258773 0.80457270884994 1.008 > 17 25 H 0.39119097741227 0.00000000000000 0.19542729115006 1.008 > 25 26 H 0.89119097741227 0.00000000000000 0.19542729115006 1.008 > 25 27 H 0.39119097741227 0.50000000000000 0.19542729115006 1.008 > 25 28 H 0.89119097741227 0.50000000000000 0.19542729115006 1.008 > 25 29 H 0.39119097741227 0.00000000000000 0.69542729115006 1.008 > 25 30 H 0.89119097741227 0.00000000000000 0.69542729115006 1.008 > 25 31 H 0.39119097741227 0.50000000000000 0.69542729115006 1.008 > 25 32 H 0.89119097741227 0.50000000000000 0.69542729115006 1.008 > 25 33 H 0.00000000000000 0.39119097741227 0.30457270884994 1.008 > 33 34 H 0.50000000000000 0.39119097741227 0.30457270884994 1.008 > 33 35 H 0.00000000000000 0.89119097741227 0.30457270884994 1.008 > 33 36 H 0.50000000000000 0.89119097741227 0.30457270884994 1.008 > 33 37 H 0.00000000000000 0.39119097741227 0.80457270884994 1.008 > 33 38 H 0.50000000000000 0.39119097741227 0.80457270884994 1.008 > 33 39 H 0.00000000000000 0.89119097741227 0.80457270884994 1.008 > 33 40 H 0.50000000000000 0.89119097741227 0.80457270884994 1.008 > 33 41 H 0.25000000000000 0.35880902258773 0.44542729115006 1.008 > 41 42 H 0.75000000000000 0.35880902258773 0.44542729115006 1.008 > 41 43 H 0.25000000000000 0.85880902258773 0.44542729115006 1.008 > 41 44 H 0.75000000000000 0.85880902258773 0.44542729115006 1.008 > 41 45 H 0.25000000000000 0.35880902258773 0.94542729115006 1.008 > 41 46 H 0.75000000000000 0.35880902258773 0.94542729115006 1.008 > 41 47 H 0.25000000000000 0.85880902258773 0.94542729115006 1.008 > 41 48 H 0.75000000000000 0.85880902258773 0.94542729115006 1.008 > 41 49 H 0.35880902258773 0.25000000000000 0.05457270884994 1.008 > 49 50 H 0.85880902258773 0.25000000000000 0.05457270884994 1.008 > 49 51 H 0.35880902258773 0.75000000000000 0.05457270884994 1.008 > 49 52 H 0.85880902258773 0.75000000000000 0.05457270884994 1.008 > 49 53 H 0.35880902258773 0.25000000000000 0.55457270884994 1.008 > 49 54 H 0.85880902258773 0.25000000000000 0.55457270884994 1.008 > 49 55 H 0.35880902258773 0.75000000000000 0.55457270884994 1.008 > 49 56 H 0.85880902258773 0.75000000000000 0.55457270884994 1.008 > 49 57 H 0.14119097741227 0.25000000000000 0.05457270884994 1.008 > 57 58 H 0.64119097741227 0.25000000000000 0.05457270884994 1.008 > 57 59 H 0.14119097741227 0.75000000000000 0.05457270884994 1.008 > 57 60 H 0.64119097741227 0.75000000000000 0.05457270884994 1.008 > 57 61 H 0.14119097741227 0.25000000000000 0.55457270884994 1.008 > 57 62 H 0.64119097741227 0.25000000000000 0.55457270884994 1.008 > 57 63 H 0.14119097741227 0.75000000000000 0.55457270884994 1.008 > 57 64 H 0.64119097741227 0.75000000000000 0.55457270884994 1.008 > 57 65 H 0.25000000000000 0.14119097741227 0.44542729115006 1.008 > 65 66 H 0.75000000000000 0.14119097741227 0.44542729115006 1.008 > 65 67 H 0.25000000000000 0.64119097741227 0.44542729115006 1.008 > 65 68 H 0.75000000000000 0.64119097741227 0.44542729115006 1.008 > 65 69 H 0.25000000000000 0.14119097741227 0.94542729115006 1.008 > 65 70 H 0.75000000000000 0.14119097741227 0.94542729115006 1.008 > 65 71 H 0.25000000000000 0.64119097741227 0.94542729115006 1.008 > 65 72 H 0.75000000000000 0.64119097741227 0.94542729115006 1.008 > 65 73 H 0.10880902258773 0.00000000000000 0.19542729115006 1.008 > 73 74 H 0.60880902258773 0.00000000000000 0.19542729115006 1.008 > 73 75 H 0.10880902258773 0.50000000000000 0.19542729115006 1.008 > 73 76 H 0.60880902258773 0.50000000000000 0.19542729115006 1.008 > 73 77 H 0.10880902258773 0.00000000000000 0.69542729115006 1.008 > 73 78 H 0.60880902258773 0.00000000000000 0.69542729115006 1.008 > 73 79 H 0.10880902258773 0.50000000000000 0.69542729115006 1.008 > 73 80 H 0.60880902258773 0.50000000000000 0.69542729115006 1.008 > 73 81 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 81 82 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 81 83 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 81 84 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 81 85 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 81 86 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 81 87 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 81 88 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 81 89 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 > 89 90 K 0.75000000000000 0.25000000000000 0.25000000000000 39.098 > 89 91 K 0.25000000000000 0.75000000000000 0.25000000000000 39.098 > 89 92 K 0.75000000000000 0.75000000000000 0.25000000000000 39.098 > 89 93 K 0.25000000000000 0.25000000000000 0.75000000000000 39.098 > 89 94 K 0.75000000000000 0.25000000000000 0.75000000000000 39.098 > 89 95 K 0.25000000000000 0.75000000000000 0.75000000000000 39.098 > 89 96 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4509532 0.0000000 0.0000000 0.0000000 2.4509532 0.0000000 0.0000000 0.0000000 2.4173921 -------------------------- Born effective charges -------------------------- 1 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 2 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 3 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 4 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 5 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 6 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 7 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 8 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 9 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 10 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 11 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 12 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000105 (yzy) 0.00000105 (yzy) 0.00000105 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:30:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:30:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.631672740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.631672740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.515819380000000 Atomic positions (fractional): 1 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 3 H 0.00000000000000 0.21761804517545 0.60914541769987 1.008 4 H 0.78238195482455 0.00000000000000 0.39085458230012 1.008 5 H 0.00000000000000 0.78238195482455 0.60914541769987 1.008 6 H 0.50000000000000 0.71761804517545 0.89085458230013 1.008 7 H 0.71761804517545 0.50000000000000 0.10914541769987 1.008 8 H 0.28238195482455 0.50000000000000 0.10914541769987 1.008 9 H 0.50000000000000 0.28238195482455 0.89085458230013 1.008 10 H 0.21761804517545 0.00000000000000 0.39085458230012 1.008 11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 12 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.263345480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.263345480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.031638760000000 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.00000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.00000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.00000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.00000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.50000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 9 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 9 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 9 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 9 13 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 9 14 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 9 15 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 9 16 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 9 17 H 0.00000000000000 0.10880902258773 0.30457270884994 1.008 > 17 18 H 0.50000000000000 0.10880902258773 0.30457270884994 1.008 > 17 19 H 0.00000000000000 0.60880902258773 0.30457270884994 1.008 > 17 20 H 0.50000000000000 0.60880902258773 0.30457270884994 1.008 > 17 21 H 0.00000000000000 0.10880902258773 0.80457270884994 1.008 > 17 22 H 0.50000000000000 0.10880902258773 0.80457270884994 1.008 > 17 23 H 0.00000000000000 0.60880902258773 0.80457270884994 1.008 > 17 24 H 0.50000000000000 0.60880902258773 0.80457270884994 1.008 > 17 25 H 0.39119097741227 0.00000000000000 0.19542729115006 1.008 > 25 26 H 0.89119097741227 0.00000000000000 0.19542729115006 1.008 > 25 27 H 0.39119097741227 0.50000000000000 0.19542729115006 1.008 > 25 28 H 0.89119097741227 0.50000000000000 0.19542729115006 1.008 > 25 29 H 0.39119097741227 0.00000000000000 0.69542729115006 1.008 > 25 30 H 0.89119097741227 0.00000000000000 0.69542729115006 1.008 > 25 31 H 0.39119097741227 0.50000000000000 0.69542729115006 1.008 > 25 32 H 0.89119097741227 0.50000000000000 0.69542729115006 1.008 > 25 33 H 0.00000000000000 0.39119097741227 0.30457270884994 1.008 > 33 34 H 0.50000000000000 0.39119097741227 0.30457270884994 1.008 > 33 35 H 0.00000000000000 0.89119097741227 0.30457270884994 1.008 > 33 36 H 0.50000000000000 0.89119097741227 0.30457270884994 1.008 > 33 37 H 0.00000000000000 0.39119097741227 0.80457270884994 1.008 > 33 38 H 0.50000000000000 0.39119097741227 0.80457270884994 1.008 > 33 39 H 0.00000000000000 0.89119097741227 0.80457270884994 1.008 > 33 40 H 0.50000000000000 0.89119097741227 0.80457270884994 1.008 > 33 41 H 0.25000000000000 0.35880902258773 0.44542729115006 1.008 > 41 42 H 0.75000000000000 0.35880902258773 0.44542729115006 1.008 > 41 43 H 0.25000000000000 0.85880902258773 0.44542729115006 1.008 > 41 44 H 0.75000000000000 0.85880902258773 0.44542729115006 1.008 > 41 45 H 0.25000000000000 0.35880902258773 0.94542729115006 1.008 > 41 46 H 0.75000000000000 0.35880902258773 0.94542729115006 1.008 > 41 47 H 0.25000000000000 0.85880902258773 0.94542729115006 1.008 > 41 48 H 0.75000000000000 0.85880902258773 0.94542729115006 1.008 > 41 49 H 0.35880902258773 0.25000000000000 0.05457270884994 1.008 > 49 50 H 0.85880902258773 0.25000000000000 0.05457270884994 1.008 > 49 51 H 0.35880902258773 0.75000000000000 0.05457270884994 1.008 > 49 52 H 0.85880902258773 0.75000000000000 0.05457270884994 1.008 > 49 53 H 0.35880902258773 0.25000000000000 0.55457270884994 1.008 > 49 54 H 0.85880902258773 0.25000000000000 0.55457270884994 1.008 > 49 55 H 0.35880902258773 0.75000000000000 0.55457270884994 1.008 > 49 56 H 0.85880902258773 0.75000000000000 0.55457270884994 1.008 > 49 57 H 0.14119097741227 0.25000000000000 0.05457270884994 1.008 > 57 58 H 0.64119097741227 0.25000000000000 0.05457270884994 1.008 > 57 59 H 0.14119097741227 0.75000000000000 0.05457270884994 1.008 > 57 60 H 0.64119097741227 0.75000000000000 0.05457270884994 1.008 > 57 61 H 0.14119097741227 0.25000000000000 0.55457270884994 1.008 > 57 62 H 0.64119097741227 0.25000000000000 0.55457270884994 1.008 > 57 63 H 0.14119097741227 0.75000000000000 0.55457270884994 1.008 > 57 64 H 0.64119097741227 0.75000000000000 0.55457270884994 1.008 > 57 65 H 0.25000000000000 0.14119097741227 0.44542729115006 1.008 > 65 66 H 0.75000000000000 0.14119097741227 0.44542729115006 1.008 > 65 67 H 0.25000000000000 0.64119097741227 0.44542729115006 1.008 > 65 68 H 0.75000000000000 0.64119097741227 0.44542729115006 1.008 > 65 69 H 0.25000000000000 0.14119097741227 0.94542729115006 1.008 > 65 70 H 0.75000000000000 0.14119097741227 0.94542729115006 1.008 > 65 71 H 0.25000000000000 0.64119097741227 0.94542729115006 1.008 > 65 72 H 0.75000000000000 0.64119097741227 0.94542729115006 1.008 > 65 73 H 0.10880902258773 0.00000000000000 0.19542729115006 1.008 > 73 74 H 0.60880902258773 0.00000000000000 0.19542729115006 1.008 > 73 75 H 0.10880902258773 0.50000000000000 0.19542729115006 1.008 > 73 76 H 0.60880902258773 0.50000000000000 0.19542729115006 1.008 > 73 77 H 0.10880902258773 0.00000000000000 0.69542729115006 1.008 > 73 78 H 0.60880902258773 0.00000000000000 0.69542729115006 1.008 > 73 79 H 0.10880902258773 0.50000000000000 0.69542729115006 1.008 > 73 80 H 0.60880902258773 0.50000000000000 0.69542729115006 1.008 > 73 81 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 81 82 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 81 83 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 81 84 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 81 85 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 81 86 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 81 87 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 81 88 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 81 89 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 > 89 90 K 0.75000000000000 0.25000000000000 0.25000000000000 39.098 > 89 91 K 0.25000000000000 0.75000000000000 0.25000000000000 39.098 > 89 92 K 0.75000000000000 0.75000000000000 0.25000000000000 39.098 > 89 93 K 0.25000000000000 0.25000000000000 0.75000000000000 39.098 > 89 94 K 0.75000000000000 0.25000000000000 0.75000000000000 39.098 > 89 95 K 0.25000000000000 0.75000000000000 0.75000000000000 39.098 > 89 96 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4509532 0.0000000 0.0000000 0.0000000 2.4509532 0.0000000 0.0000000 0.0000000 2.4173921 -------------------------- Born effective charges -------------------------- 1 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 2 B 0.1635801 0.0000000 0.0000000 0.0000000 0.1635801 0.0000000 0.0000000 0.0000000 0.1379443 3 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 4 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 5 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 6 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 0.2079730 0.0000000 0.1962318 -0.3166848 7 H -0.4651930 0.0000000 -0.2079730 0.0000000 -0.1811173 0.0000000 -0.1962318 0.0000000 -0.3166848 8 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 9 H -0.1811173 0.0000000 0.0000000 0.0000000 -0.4651930 -0.2079730 0.0000000 -0.1962318 -0.3166848 10 H -0.4651930 0.0000000 0.2079730 0.0000000 -0.1811173 0.0000000 0.1962318 0.0000000 -0.3166848 11 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 12 K 1.1290406 0.0000000 0.0000000 0.0000000 1.1290406 0.0000000 0.0000000 0.0000000 1.1287950 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000105 (yzy) 0.00000105 (yzy) 0.00000105 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 8 ] 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: 0.80, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 105 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 2.143 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 -0.000 -0.000) 0.000 3.516 ( 0.000 0.000 -0.000) 0.000 5.758 ( -0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.854 ( -0.000 0.000 -0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.048 ( -0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 -0.000) 0.000 10.188 ( -0.000 0.000 -0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.357 ( -0.000 0.000 -0.000) 0.000 10.915 ( 0.000 -0.000 0.000) 0.000 10.915 ( -0.000 0.000 0.000) 0.000 11.118 ( 0.000 0.000 0.000) 0.000 32.008 ( 0.000 0.000 0.000) 0.000 32.008 ( 0.000 0.000 0.000) 0.000 32.139 ( 0.000 -0.000 0.000) 0.000 32.139 ( -0.000 0.000 0.000) 0.000 32.181 ( 0.000 0.000 -0.000) 0.000 32.252 ( 0.000 0.000 0.000) 0.000 36.039 ( 0.000 0.000 0.000) 0.000 36.065 ( 0.000 -0.000 0.000) 0.000 36.094 ( 0.000 0.000 0.000) 0.000 36.143 ( 0.000 0.000 -0.000) 0.000 68.629 ( 0.000 0.000 -0.000) 0.000 68.704 ( 0.000 0.000 -0.000) 0.000 70.113 ( 0.000 -0.000 0.000) 0.000 70.113 ( 0.000 0.000 -0.000) 0.000 70.358 ( -0.000 0.000 0.000) 0.000 70.437 ( 0.000 -0.000 0.000) 0.000 70.437 ( 0.000 0.000 0.000) 0.000 70.921 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 22.918 0.000 0.000) 22.918 0.705 ( 35.434 0.000 0.000) 35.434 0.988 ( 49.255 0.000 0.000) 49.255 2.214 ( 7.062 0.000 0.000) 7.062 2.348 ( 19.532 0.000 0.000) 19.532 3.468 ( -4.791 0.000 0.000) 4.791 5.726 ( -3.165 0.000 0.000) 3.165 5.818 ( -3.595 0.000 0.000) 3.595 5.892 ( 3.398 0.000 0.000) 3.398 6.067 ( 2.261 0.000 0.000) 2.261 6.512 ( -2.452 0.000 0.000) 2.452 7.798 ( -3.503 0.000 0.000) 3.503 10.214 ( 2.561 0.000 0.000) 2.561 10.368 ( 1.093 0.000 0.000) 1.093 10.410 ( 5.196 0.000 0.000) 5.196 10.903 ( -1.218 0.000 0.000) 1.218 10.936 ( 2.111 0.000 0.000) 2.111 11.104 ( -1.340 0.000 0.000) 1.340 32.012 ( 0.356 0.000 0.000) 0.356 32.137 ( -0.201 0.000 0.000) 0.201 32.140 ( 0.026 0.000 0.000) 0.026 32.177 ( -0.453 0.000 0.000) 0.453 32.211 ( -0.594 0.000 0.000) 0.594 32.247 ( -0.438 0.000 0.000) 0.438 36.041 ( 0.152 0.000 0.000) 0.152 36.066 ( 0.023 0.000 0.000) 0.023 36.095 ( 0.103 0.000 0.000) 0.103 36.141 ( -0.224 0.000 0.000) 0.224 68.630 ( 0.141 0.000 0.000) 0.141 68.704 ( -0.078 0.000 0.000) 0.078 70.120 ( 0.724 0.000 0.000) 0.724 70.355 ( -0.098 0.000 0.000) 0.098 70.431 ( -0.610 0.000 0.000) 0.610 70.469 ( 2.950 0.000 0.000) 2.950 70.848 ( -4.474 0.000 0.000) 4.474 71.002 ( 2.910 0.000 0.000) 2.910 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 22.508 0.000 0.000) 22.508 1.381 ( 33.116 0.000 0.000) 33.116 1.913 ( 44.438 0.000 0.000) 44.438 2.404 ( 11.675 0.000 0.000) 11.675 2.831 ( 27.562 0.000 0.000) 27.562 3.331 ( -9.000 0.000 0.000) 9.000 5.637 ( -5.831 0.000 0.000) 5.831 5.716 ( -6.677 0.000 0.000) 6.677 5.953 ( 2.225 0.000 0.000) 2.225 6.156 ( 6.961 0.000 0.000) 6.961 6.445 ( -4.208 0.000 0.000) 4.208 7.693 ( -7.246 0.000 0.000) 7.246 10.286 ( 4.714 0.000 0.000) 4.714 10.400 ( 2.093 0.000 0.000) 2.093 10.553 ( 9.032 0.000 0.000) 9.032 10.868 ( -2.298 0.000 0.000) 2.298 10.994 ( 3.668 0.000 0.000) 3.668 11.065 ( -2.681 0.000 0.000) 2.681 32.022 ( 0.659 0.000 0.000) 0.659 32.131 ( -0.396 0.000 0.000) 0.396 32.138 ( -0.274 0.000 0.000) 0.274 32.167 ( -0.398 0.000 0.000) 0.398 32.193 ( -1.190 0.000 0.000) 1.190 32.236 ( -0.641 0.000 0.000) 0.641 36.045 ( 0.263 0.000 0.000) 0.263 36.066 ( 0.030 0.000 0.000) 0.030 36.098 ( 0.177 0.000 0.000) 0.177 36.135 ( -0.359 0.000 0.000) 0.359 68.635 ( 0.315 0.000 0.000) 0.315 68.701 ( -0.175 0.000 0.000) 0.175 70.141 ( 1.375 0.000 0.000) 1.375 70.359 ( 0.564 0.000 0.000) 0.564 70.414 ( -1.183 0.000 0.000) 1.183 70.546 ( 4.736 0.000 0.000) 4.736 70.758 ( -4.607 0.000 0.000) 4.607 71.046 ( 1.450 0.000 0.000) 1.450 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 21.649 0.000 0.000) 21.649 1.993 ( 28.887 0.000 0.000) 28.887 2.648 ( 12.497 0.000 0.000) 12.497 2.705 ( 34.493 0.000 0.000) 34.493 3.130 ( -10.022 0.000 0.000) 10.022 3.363 ( 25.202 0.000 0.000) 25.202 5.505 ( -7.312 0.000 0.000) 7.312 5.564 ( -8.500 0.000 0.000) 8.500 5.985 ( 1.432 0.000 0.000) 1.432 6.321 ( 9.327 0.000 0.000) 9.327 6.353 ( -5.006 0.000 0.000) 5.006 7.514 ( -10.862 0.000 0.000) 10.862 10.394 ( 6.163 0.000 0.000) 6.163 10.449 ( 2.920 0.000 0.000) 2.920 10.748 ( 10.398 0.000 0.000) 10.398 10.814 ( -3.122 0.000 0.000) 3.122 10.999 ( -3.996 0.000 0.000) 3.996 11.071 ( 3.943 0.000 0.000) 3.943 32.037 ( 0.869 0.000 0.000) 0.869 32.122 ( -0.580 0.000 0.000) 0.580 32.127 ( -0.755 0.000 0.000) 0.755 32.165 ( 0.169 0.000 0.000) 0.169 32.166 ( -1.495 0.000 0.000) 1.495 32.223 ( -0.713 0.000 0.000) 0.713 36.051 ( 0.307 0.000 0.000) 0.307 36.067 ( 0.010 0.000 0.000) 0.010 36.102 ( 0.211 0.000 0.000) 0.211 36.128 ( -0.379 0.000 0.000) 0.379 68.643 ( 0.500 0.000 0.000) 0.500 68.697 ( -0.300 0.000 0.000) 0.300 70.173 ( 1.892 0.000 0.000) 1.892 70.377 ( 1.305 0.000 0.000) 1.305 70.386 ( -1.682 0.000 0.000) 1.682 70.650 ( 5.739 0.000 0.000) 5.739 70.669 ( -4.383 0.000 0.000) 4.383 71.057 ( -0.360 0.000 0.000) 0.360 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 20.465 0.000 0.000) 20.465 2.498 ( 22.053 0.000 0.000) 22.053 2.808 ( -14.292 0.000 0.000) 14.292 2.864 ( 8.699 0.000 0.000) 8.699 3.385 ( 26.096 0.000 0.000) 26.096 3.771 ( 15.321 0.000 0.000) 15.321 5.364 ( -6.559 0.000 0.000) 6.559 5.398 ( -7.848 0.000 0.000) 7.848 6.020 ( 2.235 0.000 0.000) 2.235 6.254 ( -5.038 0.000 0.000) 5.038 6.515 ( 10.424 0.000 0.000) 10.424 7.273 ( -13.459 0.000 0.000) 13.459 10.513 ( 3.502 0.000 0.000) 3.502 10.522 ( 6.696 0.000 0.000) 6.696 10.748 ( -3.518 0.000 0.000) 3.518 10.909 ( -5.194 0.000 0.000) 5.194 10.942 ( 8.963 0.000 0.000) 8.963 11.136 ( 2.314 0.000 0.000) 2.314 32.055 ( 0.968 0.000 0.000) 0.968 32.109 ( -0.746 0.000 0.000) 0.746 32.113 ( -0.558 0.000 0.000) 0.558 32.138 ( -1.336 0.000 0.000) 1.336 32.171 ( 0.447 0.000 0.000) 0.447 32.209 ( -0.735 0.000 0.000) 0.735 36.057 ( 0.283 0.000 0.000) 0.283 36.066 ( -0.043 0.000 0.000) 0.043 36.106 ( 0.216 0.000 0.000) 0.216 36.121 ( -0.325 0.000 0.000) 0.325 68.654 ( 0.628 0.000 0.000) 0.628 68.689 ( -0.445 0.000 0.000) 0.445 70.214 ( 2.229 0.000 0.000) 2.229 70.349 ( -2.069 0.000 0.000) 2.069 70.410 ( 2.015 0.000 0.000) 2.015 70.587 ( -3.931 0.000 0.000) 3.931 70.765 ( 5.923 0.000 0.000) 5.923 71.031 ( -2.270 0.000 0.000) 2.270 ======================= Grid point 5 (6/105) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 19.074 0.000 0.000) 19.074 2.492 ( -17.384 0.000 0.000) 17.384 2.837 ( 11.955 0.000 0.000) 11.955 2.955 ( -0.202 0.000 0.000) 0.202 3.793 ( 14.465 0.000 0.000) 14.465 3.932 ( 0.612 0.000 0.000) 0.612 5.270 ( -2.525 0.000 0.000) 2.525 5.280 ( -3.614 0.000 0.000) 3.614 6.077 ( 3.615 0.000 0.000) 3.615 6.158 ( -4.590 0.000 0.000) 4.590 6.737 ( 12.412 0.000 0.000) 12.412 7.000 ( -14.026 0.000 0.000) 14.026 10.584 ( 3.680 0.000 0.000) 3.680 10.633 ( 1.798 0.000 0.000) 1.798 10.697 ( 1.101 0.000 0.000) 1.101 10.798 ( -6.029 0.000 0.000) 6.029 11.086 ( 5.410 0.000 0.000) 5.410 11.150 ( -1.139 0.000 0.000) 1.139 32.075 ( 0.965 0.000 0.000) 0.965 32.093 ( -0.881 0.000 0.000) 0.881 32.108 ( 0.060 0.000 0.000) 0.060 32.116 ( -0.786 0.000 0.000) 0.786 32.182 ( 0.598 0.000 0.000) 0.598 32.195 ( -0.696 0.000 0.000) 0.696 36.061 ( 0.212 0.000 0.000) 0.212 36.065 ( -0.123 0.000 0.000) 0.123 36.110 ( 0.224 0.000 0.000) 0.224 36.115 ( -0.260 0.000 0.000) 0.260 68.667 ( 0.653 0.000 0.000) 0.653 68.679 ( -0.578 0.000 0.000) 0.578 70.259 ( 2.368 0.000 0.000) 2.368 70.305 ( -2.308 0.000 0.000) 2.308 70.456 ( 2.698 0.000 0.000) 2.698 70.516 ( -3.347 0.000 0.000) 3.347 70.877 ( 5.299 0.000 0.000) 5.299 70.969 ( -4.007 0.000 0.000) 4.007 ======================= Grid point 12 (7/105) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 15.443 15.443 0.000) 21.840 0.768 ( 18.469 18.469 0.000) 26.120 1.510 ( 36.770 36.770 0.000) 52.001 2.301 ( 7.468 7.468 0.000) 10.562 2.498 ( 15.305 15.305 0.000) 21.644 3.416 ( -4.967 -4.967 0.000) 7.024 5.816 ( 2.728 2.728 0.000) 3.858 5.816 ( -1.743 -1.743 0.000) 2.465 5.902 ( 2.032 2.032 0.000) 2.873 6.082 ( 1.828 1.828 0.000) 2.585 6.492 ( -2.206 -2.206 0.000) 3.120 7.676 ( -7.803 -7.803 0.000) 11.036 10.238 ( 2.448 2.448 0.000) 3.461 10.404 ( 2.315 2.315 0.000) 3.273 10.436 ( 3.817 3.817 0.000) 5.398 10.909 ( -0.264 -0.264 0.000) 0.373 10.939 ( 1.220 1.220 0.000) 1.725 11.091 ( -1.323 -1.323 0.000) 1.871 32.014 ( 0.273 0.273 0.000) 0.385 32.131 ( -0.448 -0.448 0.000) 0.634 32.144 ( 0.233 0.233 0.000) 0.329 32.172 ( -0.461 -0.461 0.000) 0.652 32.207 ( -0.483 -0.483 0.000) 0.683 32.237 ( -0.726 -0.726 0.000) 1.027 36.042 ( 0.133 0.133 0.000) 0.189 36.069 ( 0.156 0.156 0.000) 0.220 36.096 ( 0.125 0.125 0.000) 0.177 36.139 ( -0.201 -0.201 0.000) 0.284 68.632 ( 0.135 0.135 0.000) 0.192 68.703 ( -0.077 -0.077 0.000) 0.109 70.113 ( 0.076 0.076 0.000) 0.108 70.350 ( -0.264 -0.264 0.000) 0.373 70.452 ( 0.684 0.684 0.000) 0.968 70.474 ( 1.675 1.675 0.000) 2.369 70.909 ( -0.682 -0.682 0.000) 0.964 70.940 ( -0.247 -0.247 0.000) 0.350 ======================= Grid point 13 (8/105) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 19.397 8.017 0.000) 20.988 1.288 ( 30.270 -1.819 0.000) 30.325 2.253 ( 37.371 26.893 0.000) 46.042 2.483 ( 10.818 7.450 0.000) 13.135 2.896 ( 23.340 6.640 0.000) 24.266 3.279 ( -8.872 -5.074 0.000) 10.220 5.738 ( -5.642 1.699 0.000) 5.892 5.782 ( -5.244 11.267 0.000) 12.427 5.954 ( 2.224 0.264 0.000) 2.240 6.159 ( 6.280 0.549 0.000) 6.304 6.427 ( -4.209 -1.825 0.000) 4.588 7.534 ( -7.248 -13.887 0.000) 15.665 10.307 ( 4.495 2.115 0.000) 4.968 10.442 ( 2.050 4.011 0.000) 4.504 10.568 ( 8.766 1.659 0.000) 8.922 10.882 ( -2.112 1.260 0.000) 2.459 10.991 ( 3.611 -0.111 0.000) 3.613 11.053 ( -2.633 -1.259 0.000) 2.918 32.023 ( 0.566 0.082 0.000) 0.572 32.120 ( -0.636 -0.792 0.000) 1.016 32.146 ( -0.180 0.445 0.000) 0.480 32.162 ( -0.336 -0.462 0.000) 0.571 32.191 ( -1.174 -0.279 0.000) 1.207 32.224 ( -0.638 -1.138 0.000) 1.304 36.046 ( 0.231 0.082 0.000) 0.245 36.070 ( -0.015 0.282 0.000) 0.283 36.100 ( 0.200 0.180 0.000) 0.269 36.134 ( -0.320 -0.139 0.000) 0.349 68.636 ( 0.304 0.118 0.000) 0.326 68.700 ( -0.172 -0.073 0.000) 0.186 70.127 ( 1.247 -0.817 0.000) 1.491 70.349 ( 0.124 -0.632 0.000) 0.644 70.443 ( -0.845 2.477 0.000) 2.617 70.543 ( 4.580 -0.154 0.000) 4.582 70.809 ( -5.472 4.177 0.000) 6.884 70.999 ( 2.430 -4.240 0.000) 4.887 ======================= Grid point 14 (9/105) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 19.881 3.681 0.000) 20.219 1.878 ( 28.907 -7.835 0.000) 29.950 2.708 ( 11.437 5.812 0.000) 12.829 2.912 ( 23.183 15.700 0.000) 28.000 3.097 ( -3.705 -1.734 0.000) 4.090 3.348 ( 21.369 -1.435 0.000) 21.417 5.611 ( -6.909 4.447 0.000) 8.217 5.642 ( -8.245 12.393 0.000) 14.885 5.985 ( 1.281 -0.006 0.000) 1.281 6.313 ( 8.801 -0.711 0.000) 8.830 6.335 ( -4.982 -1.797 0.000) 5.296 7.373 ( -9.385 -13.479 0.000) 16.425 10.410 ( 5.868 1.598 0.000) 6.081 10.489 ( 2.744 3.892 0.000) 4.762 10.758 ( 10.186 1.089 0.000) 10.244 10.832 ( -2.962 1.694 0.000) 3.412 10.988 ( -3.891 -1.107 0.000) 4.046 11.069 ( 3.980 -0.219 0.000) 3.986 32.036 ( 0.743 -0.149 0.000) 0.758 32.106 ( -0.809 -1.087 0.000) 1.355 32.136 ( -0.683 0.328 0.000) 0.758 32.162 ( 0.229 -0.229 0.000) 0.324 32.164 ( -1.482 -0.251 0.000) 1.503 32.212 ( -0.610 -1.082 0.000) 1.242 36.051 ( 0.273 0.016 0.000) 0.274 36.069 ( -0.075 0.202 0.000) 0.215 36.104 ( 0.216 0.209 0.000) 0.301 36.127 ( -0.334 -0.056 0.000) 0.339 68.644 ( 0.483 0.089 0.000) 0.491 68.696 ( -0.294 -0.063 0.000) 0.300 70.159 ( 1.928 -1.056 0.000) 2.198 70.351 ( -0.179 -1.131 0.000) 1.145 70.429 ( -0.348 2.769 0.000) 2.791 70.644 ( 5.574 -0.522 0.000) 5.598 70.707 ( -4.931 3.321 0.000) 5.945 71.024 ( 0.173 -3.136 0.000) 3.141 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 19.273 0.864 0.000) 19.293 2.396 ( 23.210 -8.537 0.000) 24.730 2.783 ( -14.324 -2.971 0.000) 14.629 2.901 ( 7.254 3.476 0.000) 8.044 3.493 ( 21.614 9.538 0.000) 23.625 3.694 ( 13.217 -7.361 0.000) 15.129 5.482 ( -5.852 7.932 0.000) 9.857 5.484 ( -7.180 11.297 0.000) 13.386 6.015 ( 1.970 -0.443 0.000) 2.019 6.237 ( -4.941 -1.680 0.000) 5.218 6.494 ( 9.671 -1.942 0.000) 9.864 7.166 ( -11.584 -10.430 0.000) 15.587 10.532 ( 6.412 0.993 0.000) 6.489 10.548 ( 3.269 3.519 0.000) 4.803 10.769 ( -3.377 2.040 0.000) 3.946 10.901 ( -5.008 -0.823 0.000) 5.076 10.949 ( 8.777 0.670 0.000) 8.802 11.135 ( 2.395 -0.128 0.000) 2.398 32.051 ( 0.781 -0.462 0.000) 0.907 32.090 ( -0.746 -1.258 0.000) 1.462 32.123 ( -0.586 0.356 0.000) 0.686 32.136 ( -1.242 -0.154 0.000) 1.252 32.168 ( 0.383 -0.271 0.000) 0.469 32.199 ( -0.617 -0.885 0.000) 1.079 36.056 ( 0.263 -0.041 0.000) 0.266 36.067 ( -0.116 0.077 0.000) 0.140 36.108 ( 0.205 0.198 0.000) 0.285 36.121 ( -0.283 0.028 0.000) 0.284 68.655 ( 0.609 0.052 0.000) 0.611 68.689 ( -0.435 -0.046 0.000) 0.437 70.201 ( 2.318 -1.015 0.000) 2.531 70.334 ( -1.544 -1.009 0.000) 1.845 70.439 ( 1.379 2.392 0.000) 2.761 70.617 ( -4.280 2.628 0.000) 5.022 70.756 ( 5.724 -0.894 0.000) 5.793 71.007 ( -1.923 -2.377 0.000) 3.058 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 18.188 -1.155 0.000) 18.225 2.463 ( -16.397 -2.826 0.000) 16.639 2.785 ( 14.163 -5.098 0.000) 15.053 2.954 ( -2.645 -0.466 0.000) 2.686 3.797 ( 9.060 0.441 0.000) 9.070 3.854 ( 2.875 -7.116 0.000) 7.675 5.386 ( -2.340 11.045 0.000) 11.290 5.394 ( -2.812 10.635 0.000) 11.000 6.067 ( 3.350 -0.981 0.000) 3.491 6.144 ( -4.415 -1.416 0.000) 4.636 6.697 ( 11.126 -3.893 0.000) 11.787 6.929 ( -12.256 -6.878 0.000) 14.054 10.615 ( 3.402 3.038 0.000) 4.561 10.647 ( 3.612 1.148 0.000) 3.790 10.711 ( -0.806 1.650 0.000) 1.837 10.794 ( -5.733 -0.358 0.000) 5.744 11.089 ( 5.257 0.328 0.000) 5.267 11.150 ( -1.021 0.060 0.000) 1.023 32.065 ( 0.669 -0.890 0.000) 1.113 32.077 ( -0.583 -1.240 0.000) 1.370 32.115 ( -0.207 0.356 0.000) 0.412 32.118 ( -0.556 0.109 0.000) 0.567 32.177 ( 0.493 -0.448 0.000) 0.666 32.188 ( -0.579 -0.665 0.000) 0.881 36.061 ( 0.219 -0.058 0.000) 0.227 36.065 ( -0.165 -0.019 0.000) 0.166 36.112 ( 0.200 0.160 0.000) 0.256 36.116 ( -0.226 0.102 0.000) 0.248 68.667 ( 0.635 0.013 0.000) 0.636 68.679 ( -0.564 -0.020 0.000) 0.564 70.248 ( 2.444 -0.885 0.000) 2.599 70.295 ( -2.260 -0.816 0.000) 2.402 70.479 ( 2.624 2.058 0.000) 3.335 70.540 ( -3.520 2.184 0.000) 4.143 70.863 ( 5.069 -1.320 0.000) 5.238 70.951 ( -3.738 -1.804 0.000) 4.150 ======================= Grid point 24 (12/105) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 13.063 13.063 0.000) 18.474 1.418 ( 14.362 14.362 0.000) 20.311 2.662 ( 10.099 10.099 0.000) 14.282 2.816 ( 28.810 28.810 0.000) 40.743 3.079 ( 11.319 11.319 0.000) 16.008 3.142 ( -8.710 -8.710 0.000) 12.318 5.751 ( -0.818 -0.818 0.000) 1.156 5.944 ( 3.376 3.376 0.000) 4.775 5.968 ( 1.041 1.041 0.000) 1.473 6.198 ( 3.842 3.842 0.000) 5.434 6.373 ( -3.675 -3.675 0.000) 5.197 7.250 ( -13.175 -13.175 0.000) 18.632 10.366 ( 3.860 3.860 0.000) 5.458 10.529 ( 3.859 3.859 0.000) 5.458 10.637 ( 6.110 6.110 0.000) 8.641 10.898 ( -0.219 -0.219 0.000) 0.310 11.006 ( 2.108 2.108 0.000) 2.981 11.016 ( -2.469 -2.469 0.000) 3.491 32.026 ( 0.240 0.240 0.000) 0.339 32.103 ( -0.997 -0.997 0.000) 1.410 32.150 ( -0.599 -0.599 0.000) 0.847 32.154 ( 0.220 0.220 0.000) 0.311 32.181 ( -0.787 -0.787 0.000) 1.113 32.199 ( -1.106 -1.106 0.000) 1.564 36.048 ( 0.144 0.144 0.000) 0.203 36.073 ( 0.014 0.014 0.000) 0.020 36.104 ( 0.274 0.274 0.000) 0.388 36.130 ( -0.217 -0.217 0.000) 0.307 68.640 ( 0.269 0.269 0.000) 0.380 68.698 ( -0.160 -0.160 0.000) 0.226 70.123 ( 0.493 0.493 0.000) 0.697 70.340 ( -0.270 -0.270 0.000) 0.382 70.485 ( 0.922 0.922 0.000) 1.304 70.558 ( 2.486 2.486 0.000) 3.515 70.863 ( -1.665 -1.665 0.000) 2.355 70.923 ( -0.628 -0.628 0.000) 0.889 ======================= Grid point 25 (13/105) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 15.314 7.030 0.000) 16.850 1.789 ( 21.922 -0.035 0.000) 21.922 2.858 ( 9.185 8.993 0.000) 12.855 2.938 ( -11.577 -7.317 0.000) 13.696 3.306 ( 11.055 -2.930 0.000) 11.437 3.340 ( 23.271 19.362 0.000) 30.272 5.715 ( -2.379 5.399 0.000) 5.900 5.904 ( -6.412 12.115 0.000) 13.707 5.985 ( 0.708 0.013 0.000) 0.708 6.286 ( -4.912 -3.045 0.000) 5.779 6.308 ( 6.896 0.680 0.000) 6.930 7.044 ( -8.180 -18.197 0.000) 19.950 10.455 ( 5.014 2.882 0.000) 5.783 10.589 ( 2.677 5.758 0.000) 6.350 10.796 ( 9.186 2.988 0.000) 9.660 10.872 ( -2.138 2.064 0.000) 2.971 10.956 ( -3.566 -2.134 0.000) 4.156 11.069 ( 3.736 0.470 0.000) 3.765 32.032 ( 0.320 -0.272 0.000) 0.420 32.082 ( -1.075 -1.326 0.000) 1.707 32.136 ( -0.652 -0.289 0.000) 0.713 32.158 ( -1.402 -0.319 0.000) 1.438 32.159 ( 0.208 -0.058 0.000) 0.216 32.185 ( -0.464 -1.473 0.000) 1.544 36.051 ( 0.180 0.029 0.000) 0.182 36.072 ( -0.159 0.005 0.000) 0.159 36.109 ( 0.226 0.328 0.000) 0.398 36.126 ( -0.219 -0.083 0.000) 0.234 68.647 ( 0.431 0.210 0.000) 0.480 68.694 ( -0.271 -0.135 0.000) 0.302 70.145 ( 1.656 -0.155 0.000) 1.663 70.335 ( -0.414 -0.527 0.000) 0.670 70.485 ( -0.284 2.609 0.000) 2.625 70.636 ( 4.859 0.024 0.000) 4.859 70.772 ( -5.355 2.627 0.000) 5.965 70.947 ( 0.965 -4.192 0.000) 4.302 ======================= Grid point 26 (14/105) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 15.934 2.213 0.000) 16.087 2.229 ( 21.731 -7.397 0.000) 22.955 2.692 ( -13.192 -6.080 0.000) 14.526 2.984 ( 2.336 4.412 0.000) 4.992 3.507 ( 9.753 -11.023 0.000) 14.718 3.697 ( 12.192 9.872 0.000) 15.688 5.672 ( -1.786 10.411 0.000) 10.564 5.753 ( -7.454 14.506 0.000) 16.309 6.003 ( 1.252 -0.794 0.000) 1.482 6.191 ( -4.684 -2.883 0.000) 5.500 6.451 ( 7.538 -1.924 0.000) 7.779 6.900 ( -7.099 -15.377 0.000) 16.937 10.559 ( 5.529 1.719 0.000) 5.790 10.642 ( 2.758 5.651 0.000) 6.288 10.822 ( -2.802 3.203 0.000) 4.256 10.877 ( -4.464 -1.555 0.000) 4.727 10.971 ( 8.145 1.696 0.000) 8.319 11.134 ( 2.526 0.200 0.000) 2.534 32.037 ( 0.267 -0.885 0.000) 0.925 32.062 ( -0.876 -1.543 0.000) 1.774 32.125 ( -0.478 -0.145 0.000) 0.500 32.133 ( -1.031 -0.142 0.000) 1.040 32.163 ( 0.174 -0.277 0.000) 0.328 32.177 ( -0.354 -1.251 0.000) 1.300 36.055 ( 0.200 -0.074 0.000) 0.214 36.068 ( -0.217 -0.057 0.000) 0.225 36.113 ( 0.163 0.309 0.000) 0.350 36.122 ( -0.178 0.046 0.000) 0.184 68.656 ( 0.549 0.133 0.000) 0.565 68.687 ( -0.398 -0.091 0.000) 0.409 70.185 ( 2.321 -0.432 0.000) 2.361 70.318 ( -1.381 -0.529 0.000) 1.479 70.489 ( 0.958 2.497 0.000) 2.674 70.672 ( -4.777 2.537 0.000) 5.409 70.735 ( 5.100 -1.002 0.000) 5.197 70.946 ( -1.148 -3.555 0.000) 3.735 ======================= Grid point 27 (15/105) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 15.650 -1.509 0.000) 15.723 2.388 ( -13.403 -4.661 0.000) 14.190 2.651 ( 16.315 -8.075 0.000) 18.204 2.916 ( -9.174 -3.912 0.000) 9.973 3.694 ( 8.743 -8.205 0.000) 11.990 3.803 ( -1.034 -0.186 0.000) 1.051 5.645 ( -0.887 13.657 0.000) 13.686 5.653 ( -2.364 14.805 0.000) 14.992 6.040 ( 2.640 -1.686 0.000) 3.133 6.106 ( -3.928 -2.429 0.000) 4.618 6.602 ( 7.785 -5.201 0.000) 9.363 6.755 ( -7.709 -9.922 0.000) 12.565 10.667 ( 5.179 0.780 0.000) 5.237 10.696 ( 2.487 4.837 0.000) 5.439 10.767 ( -2.639 3.813 0.000) 4.637 10.785 ( -4.695 -0.529 0.000) 4.725 11.101 ( 4.797 0.927 0.000) 4.886 11.154 ( -0.708 0.429 0.000) 0.828 32.042 ( 0.238 -1.407 0.000) 1.427 32.049 ( -0.488 -1.607 0.000) 1.680 32.118 ( -0.188 -0.005 0.000) 0.188 32.119 ( -0.342 0.024 0.000) 0.342 32.166 ( 0.212 -0.580 0.000) 0.618 32.171 ( -0.285 -0.926 0.000) 0.968 36.059 ( 0.216 -0.127 0.000) 0.251 36.063 ( -0.226 -0.116 0.000) 0.254 36.116 ( 0.132 0.244 0.000) 0.278 36.119 ( -0.139 0.156 0.000) 0.209 68.668 ( 0.576 0.049 0.000) 0.578 68.678 ( -0.514 -0.028 0.000) 0.515 70.233 ( 2.539 -0.469 0.000) 2.582 70.281 ( -2.262 -0.452 0.000) 2.307 70.524 ( 2.545 2.230 0.000) 3.384 70.587 ( -3.806 2.276 0.000) 4.435 70.830 ( 4.412 -1.865 0.000) 4.790 70.904 ( -3.032 -2.720 0.000) 4.073 ======================= Grid point 36 (16/105) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 9.550 9.550 0.000) 13.506 1.886 ( 9.504 9.504 0.000) 13.441 2.764 ( -10.077 -10.077 0.000) 14.251 3.042 ( 8.765 8.765 0.000) 12.395 3.233 ( -3.923 -3.923 0.000) 5.548 3.676 ( 13.588 13.588 0.000) 19.217 5.803 ( 3.504 3.504 0.000) 4.956 5.984 ( -0.124 -0.124 0.000) 0.175 6.050 ( 1.697 1.697 0.000) 2.400 6.219 ( -3.903 -3.903 0.000) 5.519 6.351 ( 3.615 3.615 0.000) 5.113 6.737 ( -11.227 -11.227 0.000) 15.878 10.520 ( 3.712 3.712 0.000) 5.249 10.690 ( 4.090 4.090 0.000) 5.783 10.887 ( 6.240 6.240 0.000) 8.825 10.896 ( 0.158 0.158 0.000) 0.224 10.906 ( -2.984 -2.984 0.000) 4.220 11.096 ( 2.374 2.374 0.000) 3.358 32.025 ( -0.364 -0.364 0.000) 0.515 32.055 ( -1.340 -1.340 0.000) 1.895 32.128 ( -0.502 -0.502 0.000) 0.710 32.149 ( -0.826 -0.826 0.000) 1.168 32.159 ( -0.001 -0.001 0.000) 0.001 32.161 ( -0.721 -0.721 0.000) 1.020 36.052 ( 0.053 0.053 0.000) 0.075 36.070 ( -0.186 -0.186 0.000) 0.263 36.115 ( 0.245 0.245 0.000) 0.346 36.124 ( -0.078 -0.078 0.000) 0.111 68.652 ( 0.345 0.345 0.000) 0.488 68.690 ( -0.222 -0.222 0.000) 0.315 70.155 ( 1.157 1.157 0.000) 1.636 70.327 ( -0.438 -0.438 0.000) 0.620 70.518 ( 0.686 0.686 0.000) 0.970 70.660 ( 2.628 2.628 0.000) 3.716 70.778 ( -2.654 -2.654 0.000) 3.754 70.891 ( -0.983 -0.983 0.000) 1.390 ======================= Grid point 37 (17/105) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 11.101 3.927 0.000) 11.775 2.135 ( 14.896 -1.721 0.000) 14.995 2.553 ( -10.994 -7.777 0.000) 13.466 3.031 ( -9.317 -1.962 0.000) 9.521 3.313 ( 11.297 -6.121 0.000) 12.849 3.838 ( 2.340 3.715 0.000) 4.391 5.856 ( 2.036 7.726 0.000) 7.990 5.985 ( 0.343 -0.988 0.000) 1.046 5.997 ( -4.999 8.914 0.000) 10.220 6.132 ( -4.507 -2.681 0.000) 5.244 6.435 ( 4.568 0.529 0.000) 4.598 6.618 ( -2.505 -11.833 0.000) 12.095 10.598 ( 4.121 2.158 0.000) 4.652 10.752 ( 2.490 5.051 0.000) 5.632 10.841 ( -3.497 -2.016 0.000) 4.036 10.881 ( -1.458 2.441 0.000) 2.844 11.021 ( 6.705 3.453 0.000) 7.541 11.148 ( 2.342 1.311 0.000) 2.684 32.018 ( -0.358 -1.058 0.000) 1.117 32.031 ( -1.028 -1.535 0.000) 1.847 32.119 ( -0.358 -0.422 0.000) 0.553 32.130 ( -0.872 -0.287 0.000) 0.919 32.155 ( -0.072 -0.877 0.000) 0.880 32.158 ( -0.064 -0.181 0.000) 0.192 36.053 ( 0.103 -0.071 0.000) 0.125 36.065 ( -0.255 -0.201 0.000) 0.325 36.119 ( 0.128 0.242 0.000) 0.274 36.123 ( -0.059 0.046 0.000) 0.075 68.660 ( 0.444 0.229 0.000) 0.499 68.685 ( -0.324 -0.142 0.000) 0.354 70.188 ( 2.080 0.745 0.000) 2.209 70.312 ( -1.163 -0.160 0.000) 1.174 70.527 ( 0.705 1.121 0.000) 1.324 70.699 ( -4.501 -0.179 0.000) 4.505 70.728 ( 3.823 0.458 0.000) 3.851 70.882 ( -0.658 -2.536 0.000) 2.620 ======================= Grid point 38 (18/105) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 11.765 -0.933 0.000) 11.802 2.290 ( -9.093 -5.044 0.000) 10.399 2.489 ( 13.908 -7.841 0.000) 15.966 2.790 ( -14.545 -8.801 0.000) 17.000 3.556 ( 12.629 -5.547 0.000) 13.794 3.772 ( -8.256 -3.292 0.000) 8.889 5.887 ( 1.249 10.156 0.000) 10.233 5.919 ( -2.505 11.056 0.000) 11.336 6.004 ( 1.739 -1.915 0.000) 2.587 6.054 ( -3.325 -2.549 0.000) 4.189 6.518 ( 3.718 -2.733 0.000) 4.615 6.578 ( -2.323 -7.163 0.000) 7.530 10.680 ( 4.185 0.601 0.000) 4.228 10.758 ( -3.468 -0.198 0.000) 3.473 10.807 ( 1.681 4.122 0.000) 4.451 10.846 ( -2.014 3.843 0.000) 4.339 11.129 ( 3.989 2.016 0.000) 4.469 11.171 ( -0.317 1.321 0.000) 1.358 32.013 ( -0.080 -1.486 0.000) 1.489 32.017 ( -0.468 -1.611 0.000) 1.677 32.115 ( -0.062 -0.343 0.000) 0.348 32.117 ( -0.360 -0.259 0.000) 0.443 32.155 ( 0.050 -0.621 0.000) 0.623 32.157 ( -0.090 -0.376 0.000) 0.387 36.056 ( 0.173 -0.159 0.000) 0.235 36.060 ( -0.237 -0.199 0.000) 0.309 36.121 ( 0.063 0.204 0.000) 0.214 36.122 ( -0.047 0.139 0.000) 0.147 68.669 ( 0.468 0.097 0.000) 0.478 68.678 ( -0.418 -0.033 0.000) 0.420 70.233 ( 2.441 0.477 0.000) 2.487 70.279 ( -2.119 0.220 0.000) 2.130 70.556 ( 2.307 0.759 0.000) 2.429 70.616 ( -3.757 0.401 0.000) 3.778 70.800 ( 3.368 -0.955 0.000) 3.500 70.855 ( -2.137 -2.015 0.000) 2.937 ======================= Grid point 48 (19/105) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 5.642 5.642 0.000) 7.978 2.166 ( 4.600 4.600 0.000) 6.505 2.397 ( -7.751 -7.751 0.000) 10.961 2.861 ( -12.902 -12.902 0.000) 18.246 3.327 ( 5.615 5.615 0.000) 7.941 3.827 ( -4.736 -4.736 0.000) 6.697 5.968 ( -0.570 -0.570 0.000) 0.807 5.969 ( 4.047 4.047 0.000) 5.723 6.040 ( -2.385 -2.385 0.000) 3.373 6.117 ( -0.781 -0.781 0.000) 1.104 6.467 ( 2.270 2.270 0.000) 3.210 6.488 ( -1.323 -1.323 0.000) 1.871 10.643 ( 2.417 2.417 0.000) 3.418 10.791 ( -2.117 -2.117 0.000) 2.994 10.837 ( 2.676 2.676 0.000) 3.784 10.910 ( 0.475 0.475 0.000) 0.671 11.102 ( 4.501 4.501 0.000) 6.365 11.182 ( 1.863 1.863 0.000) 2.634 31.998 ( -0.854 -0.854 0.000) 1.208 32.004 ( -1.150 -1.150 0.000) 1.626 32.111 ( -0.341 -0.341 0.000) 0.482 32.120 ( -0.614 -0.614 0.000) 0.869 32.147 ( -0.073 -0.073 0.000) 0.103 32.155 ( -0.170 -0.170 0.000) 0.241 36.053 ( -0.010 -0.010 0.000) 0.015 36.061 ( -0.244 -0.244 0.000) 0.345 36.122 ( 0.116 0.116 0.000) 0.165 36.123 ( 0.032 0.032 0.000) 0.045 68.665 ( 0.298 0.298 0.000) 0.421 68.682 ( -0.206 -0.206 0.000) 0.292 70.213 ( 1.702 1.702 0.000) 2.407 70.307 ( -0.508 -0.508 0.000) 0.718 70.537 ( 0.304 0.304 0.000) 0.430 70.663 ( -3.004 -3.004 0.000) 4.249 70.754 ( 2.029 2.029 0.000) 2.869 70.851 ( -0.959 -0.959 0.000) 1.356 ======================= Grid point 49 (20/105) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 6.987 0.326 0.000) 6.994 2.199 ( -5.927 -4.023 0.000) 7.163 2.362 ( 8.637 -4.689 0.000) 9.828 2.594 ( -13.476 -10.361 0.000) 16.999 3.480 ( 9.404 -2.192 0.000) 9.656 3.675 ( -9.768 -6.203 0.000) 11.571 5.968 ( 0.605 -1.460 0.000) 1.580 5.993 ( -1.954 -2.070 0.000) 2.847 6.029 ( 2.423 4.291 0.000) 4.928 6.076 ( -2.479 3.335 0.000) 4.155 6.502 ( 1.097 -0.538 0.000) 1.221 6.504 ( 1.033 0.931 0.000) 1.391 10.692 ( 2.563 0.654 0.000) 2.645 10.742 ( -2.582 -0.987 0.000) 2.764 10.880 ( 1.670 2.874 0.000) 3.324 10.905 ( -0.830 2.018 0.000) 2.182 11.178 ( 2.818 2.800 0.000) 3.972 11.205 ( 0.092 1.938 0.000) 1.940 31.987 ( -0.292 -1.123 0.000) 1.161 31.988 ( -0.465 -1.200 0.000) 1.286 32.107 ( -0.045 -0.377 0.000) 0.380 32.110 ( -0.339 -0.442 0.000) 0.557 32.148 ( 0.153 -0.148 0.000) 0.213 32.151 ( -0.184 -0.180 0.000) 0.258 36.053 ( 0.092 -0.116 0.000) 0.148 36.056 ( -0.194 -0.197 0.000) 0.276 36.124 ( 0.031 0.108 0.000) 0.112 36.124 ( 0.010 0.084 0.000) 0.085 68.671 ( 0.311 0.125 0.000) 0.335 68.677 ( -0.272 -0.051 0.000) 0.276 70.251 ( 2.052 1.222 0.000) 2.388 70.287 ( -1.524 0.477 0.000) 1.597 70.554 ( 1.600 -0.706 0.000) 1.748 70.600 ( -3.032 -1.762 0.000) 3.506 70.796 ( 2.066 0.496 0.000) 2.125 70.830 ( -1.327 -0.592 0.000) 1.453 ======================= Grid point 60 (21/105) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 1.842 1.842 0.000) 2.604 2.131 ( -3.003 -3.003 0.000) 4.247 2.325 ( 1.310 1.310 0.000) 1.852 2.413 ( -7.372 -7.372 0.000) 10.425 3.476 ( 1.903 1.903 0.000) 2.692 3.552 ( -5.626 -5.626 0.000) 7.956 5.949 ( -0.299 -0.299 0.000) 0.422 5.958 ( -1.209 -1.209 0.000) 1.709 6.080 ( 1.433 1.433 0.000) 2.027 6.098 ( -0.332 -0.332 0.000) 0.469 6.521 ( 1.295 1.295 0.000) 1.832 6.527 ( 0.765 0.765 0.000) 1.082 10.706 ( 0.800 0.800 0.000) 1.131 10.723 ( -0.950 -0.950 0.000) 1.344 10.918 ( 1.098 1.098 0.000) 1.552 10.926 ( 0.269 0.269 0.000) 0.381 11.225 ( 1.623 1.623 0.000) 2.296 11.234 ( 0.702 0.702 0.000) 0.993 31.971 ( -0.408 -0.408 0.000) 0.577 31.972 ( -0.454 -0.454 0.000) 0.643 32.102 ( -0.122 -0.122 0.000) 0.172 32.103 ( -0.226 -0.226 0.000) 0.320 32.147 ( 0.041 0.041 0.000) 0.058 32.149 ( -0.102 -0.102 0.000) 0.145 36.052 ( -0.010 -0.010 0.000) 0.015 36.053 ( -0.113 -0.113 0.000) 0.159 36.125 ( 0.028 0.028 0.000) 0.039 36.125 ( 0.029 0.029 0.000) 0.041 68.674 ( 0.118 0.118 0.000) 0.167 68.676 ( -0.085 -0.085 0.000) 0.121 70.276 ( 1.205 1.205 0.000) 1.704 70.291 ( -0.234 -0.234 0.000) 0.331 70.544 ( 0.065 0.065 0.000) 0.092 70.562 ( -1.726 -1.726 0.000) 2.441 70.811 ( 0.768 0.768 0.000) 1.087 70.822 ( -0.404 -0.404 0.000) 0.571 ======================= Grid point 121 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 0.000 0.000 20.530) 20.530 0.398 ( 0.000 0.000 20.530) 20.530 1.095 ( 0.000 0.000 55.884) 55.884 2.099 ( 0.000 0.000 -4.542) 4.542 2.099 ( 0.000 0.000 -4.542) 4.542 3.639 ( 0.000 0.000 11.713) 11.713 5.704 ( 0.000 -0.000 -3.844) 3.844 5.704 ( -0.000 0.000 -3.844) 3.844 5.913 ( 0.000 -0.000 4.319) 4.319 5.913 ( 0.000 0.000 4.319) 4.319 6.511 ( 0.000 0.000 -2.308) 2.308 7.982 ( 0.000 0.000 -9.168) 9.168 10.227 ( 0.000 0.000 3.979) 3.979 10.382 ( 0.000 0.000 2.518) 2.518 10.382 ( -0.000 -0.000 2.518) 2.518 10.898 ( 0.000 0.000 -1.780) 1.780 10.898 ( 0.000 0.000 -1.780) 1.780 11.085 ( 0.000 0.000 -3.326) 3.326 32.013 ( 0.000 -0.000 0.437) 0.437 32.013 ( -0.000 -0.000 0.437) 0.437 32.135 ( 0.000 0.000 -0.449) 0.449 32.135 ( 0.000 0.000 -0.449) 0.449 32.257 ( -0.000 -0.000 0.525) 0.525 32.380 ( -0.000 -0.000 -0.523) 0.523 36.040 ( 0.000 0.000 0.102) 0.102 36.064 ( 0.000 0.000 -0.103) 0.103 36.097 ( 0.000 0.000 0.296) 0.296 36.142 ( 0.000 0.000 -0.094) 0.094 68.633 ( 0.000 0.000 0.348) 0.348 68.702 ( 0.000 0.000 -0.249) 0.249 70.113 ( 0.000 0.000 -0.007) 0.007 70.113 ( -0.000 0.000 -0.007) 0.007 70.438 ( 0.000 0.000 0.072) 0.072 70.438 ( -0.000 0.000 0.072) 0.072 70.931 ( 0.000 0.000 1.043) 1.043 71.138 ( 0.000 0.000 -0.721) 0.721 ======================= Grid point 122 (23/105) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 30.580 0.000 9.696) 32.080 0.846 ( 24.955 0.000 18.419) 31.016 1.348 ( 27.911 0.000 39.665) 48.501 2.173 ( 7.353 0.000 -4.228) 8.482 2.307 ( 19.675 0.000 -4.263) 20.132 3.591 ( -4.745 0.000 11.741) 12.664 5.673 ( -3.081 0.000 -3.782) 4.879 5.837 ( 8.847 0.000 -11.856) 14.793 5.875 ( -3.779 0.000 4.161) 5.620 5.911 ( 0.263 0.000 1.083) 1.115 6.494 ( -1.745 0.000 -1.418) 2.249 7.875 ( -7.068 0.000 -0.975) 7.135 10.242 ( 1.479 0.000 2.894) 3.250 10.401 ( 1.914 0.000 3.337) 3.847 10.433 ( 5.089 0.000 2.408) 5.629 10.880 ( -1.738 0.000 -2.344) 2.918 10.920 ( 2.220 0.000 -1.665) 2.775 11.080 ( -0.625 0.000 -2.563) 2.638 32.016 ( 0.338 0.000 0.419) 0.538 32.069 ( 3.195 0.000 -3.000) 4.383 32.133 ( -0.181 0.000 -0.429) 0.465 32.136 ( 0.058 0.000 -0.425) 0.429 32.249 ( -0.829 0.000 0.555) 0.998 32.323 ( -3.563 0.000 2.953) 4.628 36.042 ( 0.151 0.000 0.101) 0.182 36.065 ( 0.032 0.000 -0.094) 0.099 36.096 ( -0.003 0.000 0.178) 0.178 36.140 ( -0.216 0.000 -0.087) 0.233 68.634 ( 0.128 0.000 0.334) 0.358 68.701 ( -0.066 0.000 -0.244) 0.252 70.120 ( 0.720 0.000 -0.011) 0.720 70.212 ( 5.373 0.000 -6.548) 8.470 70.432 ( -0.617 0.000 0.065) 0.620 70.466 ( 2.754 0.000 -0.076) 2.755 70.907 ( -3.732 0.000 2.297) 4.382 71.072 ( -1.991 0.000 3.578) 4.095 ======================= Grid point 123 (24/105) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 17.751 0.000 26.431) 31.838 1.428 ( 31.591 0.000 4.765) 31.948 2.068 ( 39.977 0.000 17.105) 43.482 2.370 ( 12.131 0.000 -3.440) 12.609 2.784 ( 26.466 0.000 -4.403) 26.830 3.464 ( -7.512 0.000 12.558) 14.634 5.586 ( -5.651 0.000 -3.590) 6.695 5.768 ( -7.048 0.000 3.686) 7.953 5.901 ( 0.235 0.000 -6.520) 6.524 6.020 ( 7.985 0.000 -9.158) 12.150 6.452 ( -1.982 0.000 1.023) 2.230 7.733 ( -8.016 0.000 1.055) 8.085 10.283 ( 2.647 0.000 0.301) 2.664 10.456 ( 3.667 0.000 5.165) 6.334 10.573 ( 8.805 0.000 2.060) 9.043 10.832 ( -3.054 0.000 -3.529) 4.667 10.981 ( 3.851 0.000 -1.362) 4.085 11.059 ( -1.540 0.000 -0.786) 1.729 32.026 ( 0.625 0.000 0.365) 0.723 32.109 ( 1.021 0.000 -2.529) 2.727 32.128 ( -0.359 0.000 -0.370) 0.515 32.137 ( 0.182 0.000 -0.475) 0.509 32.223 ( -1.793 0.000 0.851) 1.985 32.271 ( -1.804 0.000 2.608) 3.171 36.046 ( 0.261 0.000 0.098) 0.279 36.066 ( 0.046 0.000 -0.068) 0.082 36.097 ( 0.177 0.000 0.034) 0.180 36.134 ( -0.340 0.000 -0.061) 0.346 68.638 ( 0.296 0.000 0.300) 0.421 68.699 ( -0.148 0.000 -0.206) 0.254 70.140 ( 1.369 0.000 -0.021) 1.369 70.283 ( 2.501 0.000 -5.666) 6.193 70.414 ( -1.195 0.000 0.045) 1.196 70.540 ( 4.589 0.000 -0.463) 4.612 70.806 ( -5.411 0.000 3.520) 6.455 71.074 ( 0.792 0.000 2.286) 2.419 ======================= Grid point 124 (25/105) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 18.003 0.000 22.719) 28.987 2.019 ( 28.130 0.000 2.660) 28.255 2.624 ( 13.009 0.000 -2.444) 13.237 2.805 ( 32.588 0.000 10.393) 34.205 3.144 ( 1.173 0.000 -0.026) 1.173 3.448 ( 15.109 0.000 9.717) 17.964 5.459 ( -6.974 0.000 -3.225) 7.684 5.606 ( -9.090 0.000 2.885) 9.537 5.909 ( 0.665 0.000 -7.598) 7.627 6.130 ( 2.224 0.000 -12.703) 12.896 6.453 ( 3.176 0.000 5.178) 6.075 7.548 ( -10.898 0.000 1.822) 11.050 10.343 ( 3.467 0.000 -2.375) 4.202 10.542 ( 4.909 0.000 6.632) 8.251 10.763 ( 10.136 0.000 1.557) 10.255 10.764 ( -3.834 0.000 -4.606) 5.993 11.018 ( -2.690 0.000 1.278) 2.978 11.062 ( 4.166 0.000 -0.945) 4.272 32.040 ( 0.822 0.000 0.283) 0.869 32.114 ( -0.230 0.000 -1.051) 1.076 32.119 ( -0.530 0.000 -0.281) 0.600 32.146 ( 0.648 0.000 -0.753) 0.993 32.185 ( -1.962 0.000 0.808) 2.122 32.243 ( -1.209 0.000 1.627) 2.027 36.052 ( 0.303 0.000 0.091) 0.316 36.066 ( 0.028 0.000 -0.033) 0.043 36.102 ( 0.239 0.000 0.030) 0.241 36.127 ( -0.351 0.000 -0.013) 0.351 68.645 ( 0.473 0.000 0.253) 0.536 68.695 ( -0.264 0.000 -0.142) 0.299 70.173 ( 1.886 0.000 -0.033) 1.886 70.328 ( 2.251 0.000 -4.176) 4.745 70.386 ( -1.696 0.000 0.018) 1.696 70.627 ( 2.626 0.000 -1.511) 3.029 70.719 ( -1.949 0.000 3.692) 4.175 71.079 ( -0.522 0.000 1.947) 2.016 ======================= Grid point 125 (26/105) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 17.840 0.000 18.122) 25.430 2.512 ( 21.562 0.000 1.454) 21.611 2.850 ( 9.217 0.000 -1.398) 9.323 2.897 ( -12.944 0.000 8.004) 15.219 3.461 ( 25.358 0.000 7.865) 26.550 3.806 ( 15.365 0.000 3.990) 15.875 5.328 ( -5.892 0.000 -2.560) 6.424 5.426 ( -8.762 0.000 1.719) 8.929 5.931 ( 1.628 0.000 -8.544) 8.697 6.113 ( -2.987 0.000 -12.246) 12.605 6.578 ( 8.818 0.000 5.084) 10.179 7.308 ( -13.323 0.000 2.454) 13.547 10.417 ( 4.033 0.000 -4.226) 5.842 10.636 ( 3.142 0.000 4.529) 5.512 10.692 ( -1.900 0.000 -2.833) 3.411 10.952 ( 8.702 0.000 1.022) 8.761 10.953 ( -3.874 0.000 3.261) 5.064 11.132 ( 2.551 0.000 -0.478) 2.595 32.057 ( 0.914 0.000 0.181) 0.931 32.107 ( -0.688 0.000 -0.173) 0.710 32.108 ( -0.251 0.000 -0.362) 0.441 32.146 ( -1.438 0.000 0.670) 1.586 32.164 ( 0.628 0.000 -0.608) 0.874 32.221 ( -1.108 0.000 0.998) 1.491 36.057 ( 0.277 0.000 0.080) 0.288 36.066 ( -0.025 0.000 0.005) 0.026 36.106 ( 0.242 0.000 0.069) 0.252 36.121 ( -0.298 0.000 0.046) 0.302 68.656 ( 0.594 0.000 0.190) 0.623 68.689 ( -0.404 0.000 -0.062) 0.408 70.213 ( 2.227 0.000 -0.042) 2.227 70.348 ( -2.082 0.000 -0.009) 2.082 70.376 ( 2.715 0.000 -3.004) 4.050 70.586 ( -4.106 0.000 -0.475) 4.134 70.782 ( 5.554 0.000 1.760) 5.826 71.050 ( -2.391 0.000 1.778) 2.980 ======================= Grid point 126 (27/105) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 17.117 0.000 14.170) 22.221 2.607 ( -15.901 0.000 10.915) 19.286 2.842 ( 11.518 0.000 0.542) 11.531 2.952 ( 0.281 0.000 -0.381) 0.473 3.854 ( 13.693 0.000 6.284) 15.066 3.977 ( 1.359 0.000 4.768) 4.958 5.251 ( -1.367 0.000 -1.401) 1.958 5.286 ( -4.883 0.000 0.188) 4.886 5.975 ( 2.940 0.000 -9.619) 10.058 6.043 ( -3.749 0.000 -10.813) 11.444 6.783 ( 11.898 0.000 3.863) 12.510 7.038 ( -13.773 0.000 3.062) 14.110 10.500 ( 4.371 0.000 -5.160) 6.762 10.587 ( -4.351 0.000 -5.180) 6.765 10.765 ( 5.375 0.000 5.998) 8.054 10.867 ( -4.875 0.000 4.957) 6.953 11.091 ( 5.159 0.000 0.504) 5.183 11.150 ( -0.897 0.000 0.006) 0.897 32.075 ( 0.906 0.000 0.066) 0.908 32.092 ( -0.821 0.000 -0.054) 0.823 32.108 ( 0.283 0.000 0.025) 0.284 32.120 ( -1.001 0.000 0.344) 1.059 32.180 ( 0.940 0.000 -0.097) 0.945 32.200 ( -1.043 0.000 0.446) 1.135 36.062 ( 0.202 0.000 0.063) 0.211 36.065 ( -0.108 0.000 0.038) 0.115 36.111 ( 0.233 0.000 0.096) 0.252 36.116 ( -0.248 0.000 0.089) 0.263 68.668 ( 0.613 0.000 0.111) 0.623 68.679 ( -0.536 0.000 0.025) 0.536 70.259 ( 2.371 0.000 -0.042) 2.371 70.305 ( -2.316 0.000 -0.030) 2.317 70.435 ( 3.320 0.000 -1.957) 3.854 70.506 ( -3.892 0.000 -1.023) 4.024 70.892 ( 5.342 0.000 1.478) 5.543 70.986 ( -4.118 0.000 1.596) 4.416 ======================= Grid point 133 (28/105) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.572 16.572 9.956) 25.464 1.078 ( 12.762 12.762 29.359) 34.463 1.683 ( 29.965 29.965 21.202) 47.384 2.261 ( 7.664 7.664 -4.071) 11.578 2.459 ( 15.424 15.424 -3.931) 22.165 3.542 ( -4.713 -4.713 12.011) 13.736 5.730 ( 0.596 0.596 -4.317) 4.399 5.848 ( 2.421 2.421 -14.528) 14.926 5.893 ( -0.245 -0.245 3.191) 3.210 5.915 ( 2.631 2.631 0.276) 3.731 6.481 ( -1.506 -1.506 -0.608) 2.215 7.760 ( -8.822 -8.822 1.984) 12.633 10.261 ( 1.829 1.829 2.369) 3.508 10.428 ( 2.278 2.278 2.442) 4.043 10.470 ( 4.109 4.109 3.458) 6.762 10.882 ( -0.722 -0.722 -2.736) 2.921 10.923 ( 1.259 1.259 -1.697) 2.459 11.074 ( -0.609 -0.609 -1.833) 2.025 32.018 ( 0.265 0.265 0.421) 0.564 32.089 ( 1.475 1.475 -3.119) 3.753 32.127 ( -0.403 -0.403 -0.367) 0.678 32.140 ( 0.227 0.227 -0.451) 0.554 32.242 ( -0.718 -0.718 0.537) 1.149 32.293 ( -2.288 -2.288 3.347) 4.656 36.043 ( 0.132 0.132 0.099) 0.211 36.067 ( 0.167 0.167 -0.170) 0.291 36.096 ( 0.064 0.064 0.086) 0.125 36.138 ( -0.193 -0.193 -0.080) 0.284 68.635 ( 0.124 0.124 0.321) 0.366 68.700 ( -0.073 -0.073 -0.244) 0.265 70.114 ( 0.095 0.095 0.029) 0.137 70.254 ( 2.595 2.595 -6.215) 7.217 70.452 ( 0.660 0.660 0.013) 0.933 70.467 ( 1.487 1.487 -0.234) 2.116 70.920 ( -0.625 -0.625 1.167) 1.464 71.021 ( -2.478 -2.478 4.702) 5.864 ======================= Grid point 134 (29/105) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 18.838 5.532 17.536) 26.325 1.406 ( 24.167 1.458 18.400) 30.410 2.345 ( 34.301 22.955 9.863) 42.435 2.453 ( 12.093 8.274 -2.539) 14.871 2.849 ( 21.682 6.319 -4.245) 22.979 3.421 ( -6.763 -4.031 13.204) 15.373 5.670 ( -5.208 5.153 -4.797) 8.757 5.810 ( -5.226 4.566 -1.266) 7.054 5.903 ( 0.406 0.510 -4.994) 5.036 6.037 ( 7.709 1.945 -6.905) 10.530 6.437 ( -2.523 -1.500 1.332) 3.223 7.591 ( -8.409 -12.683 2.673) 15.450 10.308 ( 2.908 2.424 0.495) 3.818 10.484 ( 3.456 2.686 3.876) 5.846 10.595 ( 8.248 2.346 2.816) 9.026 10.844 ( -2.834 0.899 -3.741) 4.779 10.976 ( 3.680 -0.213 -1.532) 3.992 11.054 ( -1.430 -0.529 -0.128) 1.530 32.026 ( 0.535 0.091 0.380) 0.663 32.110 ( 0.398 0.029 -2.045) 2.083 32.119 ( -0.259 -0.551 -0.600) 0.855 32.144 ( 0.174 0.370 -0.482) 0.632 32.219 ( -1.706 -0.435 0.798) 1.933 32.254 ( -1.497 -1.532 2.563) 3.341 36.047 ( 0.229 0.080 0.095) 0.260 36.069 ( 0.033 0.283 -0.110) 0.306 36.099 ( 0.200 0.119 -0.023) 0.233 36.133 ( -0.302 -0.131 -0.053) 0.334 68.639 ( 0.285 0.108 0.289) 0.420 68.698 ( -0.147 -0.081 -0.216) 0.273 70.128 ( 1.243 -0.752 0.032) 1.453 70.293 ( 1.569 0.687 -4.610) 4.918 70.440 ( -1.045 2.432 -0.149) 2.651 70.536 ( 4.556 -0.283 -0.489) 4.591 70.842 ( -5.529 2.978 2.552) 6.778 71.029 ( 1.497 -4.084 2.511) 5.023 ======================= Grid point 135 (30/105) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 16.603 3.210 21.471) 27.331 1.941 ( 27.513 -5.431 7.043) 28.915 2.682 ( 12.005 5.617 -2.654) 13.517 2.975 ( 20.525 12.436 6.100) 24.761 3.123 ( 6.302 0.064 1.867) 6.573 3.434 ( 13.807 -1.322 9.672) 16.909 5.551 ( -6.496 7.165 -4.092) 10.501 5.675 ( -8.103 7.329 0.829) 10.957 5.911 ( 0.513 0.251 -7.187) 7.210 6.144 ( 1.718 1.553 -10.513) 10.765 6.427 ( 2.916 -2.608 4.750) 6.154 7.416 ( -9.725 -12.612 2.679) 16.149 10.372 ( 3.542 2.753 -2.022) 4.921 10.563 ( 4.553 2.198 5.716) 7.631 10.776 ( 8.281 1.347 1.074) 8.458 10.779 ( -2.180 1.403 -3.931) 4.709 11.010 ( -2.345 -0.638 1.399) 2.804 11.061 ( 3.920 -0.171 -0.753) 3.995 32.039 ( 0.699 -0.132 0.303) 0.773 32.103 ( -0.682 -0.924 -0.319) 1.192 32.120 ( -0.058 -0.057 -1.078) 1.081 32.149 ( 0.417 0.219 -0.611) 0.771 32.181 ( -1.933 -0.315 0.848) 2.134 32.231 ( -1.043 -1.200 1.565) 2.231 36.052 ( 0.270 0.014 0.089) 0.285 36.069 ( -0.045 0.219 -0.032) 0.226 36.103 ( 0.248 0.148 -0.026) 0.290 36.127 ( -0.310 -0.054 -0.009) 0.314 68.646 ( 0.457 0.081 0.244) 0.524 68.694 ( -0.256 -0.073 -0.153) 0.307 70.159 ( 1.929 -0.985 0.030) 2.166 70.320 ( 1.093 -0.475 -2.977) 3.207 70.419 ( -0.920 2.834 -0.585) 3.036 70.629 ( 4.050 0.003 -1.255) 4.240 70.742 ( -3.805 2.208 2.957) 5.301 71.045 ( -0.045 -3.207 1.899) 3.727 ======================= Grid point 136 (31/105) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 16.697 0.644 17.602) 24.270 2.440 ( 22.534 -6.264 4.482) 23.814 2.846 ( -6.622 -2.310 3.535) 7.854 2.911 ( 1.712 2.875 2.899) 4.427 3.545 ( 21.035 7.608 5.576) 23.053 3.735 ( 12.872 -6.865 4.614) 15.300 5.433 ( -5.069 9.576 -2.866) 11.207 5.515 ( -7.597 8.650 0.860) 11.544 5.928 ( 1.419 -0.191 -8.279) 8.402 6.113 ( -3.541 0.163 -10.676) 11.250 6.549 ( 8.512 -2.824 4.574) 10.067 7.205 ( -11.624 -9.958 2.912) 15.581 10.446 ( 3.967 2.772 -3.974) 6.262 10.653 ( 3.403 1.668 4.686) 6.027 10.708 ( -2.360 1.565 -3.504) 4.505 10.949 ( -3.687 -0.337 3.445) 5.058 10.960 ( 8.427 0.735 1.095) 8.529 11.130 ( 2.614 -0.177 -0.519) 2.671 32.053 ( 0.734 -0.436 0.208) 0.878 32.089 ( -0.637 -1.161 -0.054) 1.325 32.116 ( -0.272 0.169 -0.485) 0.581 32.145 ( -1.473 -0.058 0.682) 1.625 32.161 ( 0.597 -0.228 -0.572) 0.857 32.211 ( -0.974 -0.937 0.956) 1.655 36.057 ( 0.259 -0.039 0.081) 0.274 36.068 ( -0.098 0.097 0.018) 0.139 36.108 ( 0.237 0.147 0.019) 0.280 36.121 ( -0.263 0.020 0.038) 0.267 68.656 ( 0.575 0.046 0.183) 0.606 68.688 ( -0.391 -0.053 -0.070) 0.401 70.201 ( 2.317 -0.941 0.033) 2.501 70.325 ( -0.806 -1.157 -0.943) 1.697 70.418 ( 1.202 3.013 -1.660) 3.643 70.612 ( -4.116 2.387 -0.668) 4.805 70.773 ( 5.165 -0.925 1.727) 5.524 71.025 ( -2.057 -2.498 1.671) 3.642 ======================= Grid point 137 (32/105) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 16.198 -1.381 13.767) 21.303 2.574 ( -14.717 -3.152 10.381) 18.284 2.811 ( 13.308 -3.213 2.622) 13.939 2.964 ( -1.835 0.880 0.961) 2.251 3.840 ( 8.739 -1.169 4.630) 9.959 3.894 ( 2.950 -7.726 4.302) 9.322 5.369 ( -1.047 11.114 -1.258) 11.234 5.398 ( -3.909 10.490 -0.022) 11.195 5.970 ( 2.810 -0.549 -9.218) 9.653 6.037 ( -3.874 -0.541 -10.003) 10.741 6.740 ( 10.840 -4.122 3.725) 12.181 6.969 ( -12.167 -6.729 3.237) 14.276 10.527 ( 4.220 2.569 -5.016) 7.041 10.610 ( -4.169 2.247 -5.120) 6.975 10.771 ( 5.048 0.639 5.810) 7.723 10.867 ( -4.631 0.065 4.985) 6.804 11.094 ( 4.977 0.305 0.480) 5.010 11.150 ( -0.772 0.005 -0.049) 0.774 32.067 ( 0.639 -0.840 0.124) 1.062 32.078 ( -0.547 -1.171 0.073) 1.295 32.113 ( 0.088 0.268 -0.081) 0.293 32.122 ( -0.842 0.122 0.305) 0.904 32.175 ( 0.815 -0.454 -0.101) 0.939 32.192 ( -0.919 -0.694 0.419) 1.225 36.062 ( 0.213 -0.051 0.070) 0.230 36.065 ( -0.154 -0.004 0.051) 0.162 36.112 ( 0.217 0.122 0.059) 0.256 36.117 ( -0.222 0.079 0.066) 0.245 68.668 ( 0.595 0.009 0.107) 0.605 68.679 ( -0.520 -0.025 0.020) 0.521 70.248 ( 2.418 -0.830 0.010) 2.557 70.294 ( -2.124 -0.847 -0.133) 2.290 70.462 ( 3.004 2.393 -1.581) 4.153 70.531 ( -3.925 2.269 -0.935) 4.629 70.877 ( 5.108 -1.458 1.357) 5.482 70.966 ( -3.853 -1.939 1.475) 4.558 ======================= Grid point 145 (33/105) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 14.013 14.013 6.780) 20.945 1.522 ( 10.696 10.696 28.948) 32.662 2.624 ( 10.415 10.415 -3.886) 15.233 2.874 ( 27.038 27.038 6.261) 38.747 2.995 ( 6.226 6.226 -4.253) 9.778 3.338 ( -2.710 -2.710 14.911) 15.395 5.703 ( -1.029 -1.029 -4.524) 4.752 5.872 ( 0.234 0.234 -11.370) 11.375 5.952 ( 2.724 2.724 0.353) 3.869 6.104 ( 5.229 5.229 -4.883) 8.862 6.394 ( -2.842 -2.842 2.441) 4.702 7.320 ( -13.139 -13.139 4.317) 19.076 10.368 ( 3.478 3.478 0.369) 4.933 10.551 ( 3.795 3.795 2.234) 5.813 10.674 ( 5.935 5.935 3.613) 9.139 10.847 ( -0.974 -0.974 -4.448) 4.656 10.992 ( 2.169 2.169 -1.485) 3.409 11.036 ( -1.284 -1.284 1.309) 2.239 32.030 ( 0.227 0.227 0.378) 0.496 32.100 ( -0.886 -0.886 -0.292) 1.286 32.117 ( 0.103 0.103 -1.717) 1.723 32.149 ( 0.175 0.175 -0.516) 0.572 32.205 ( -1.079 -1.079 0.575) 1.630 32.221 ( -1.543 -1.543 2.353) 3.209 36.049 ( 0.141 0.141 0.090) 0.219 36.073 ( 0.062 0.062 -0.057) 0.105 36.102 ( 0.249 0.249 -0.133) 0.376 36.130 ( -0.203 -0.203 -0.032) 0.289 68.642 ( 0.252 0.252 0.261) 0.442 68.696 ( -0.146 -0.146 -0.209) 0.294 70.125 ( 0.537 0.537 0.157) 0.776 70.305 ( 0.539 0.539 -3.192) 3.281 70.485 ( 0.940 0.940 -0.008) 1.330 70.547 ( 2.445 2.445 -0.817) 3.553 70.877 ( -1.617 -1.617 1.383) 2.672 70.955 ( -1.344 -1.344 2.611) 3.230 ======================= Grid point 146 (34/105) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 12.118 7.600 19.427) 24.125 1.878 ( 21.709 -0.235 11.710) 24.667 2.826 ( 9.074 8.431 -3.073) 12.761 2.978 ( -6.646 -6.299 2.498) 9.491 3.369 ( 21.097 16.413 3.788) 26.997 3.401 ( 8.859 -0.887 9.682) 13.153 5.666 ( -2.123 4.385 -4.739) 6.796 5.847 ( -3.277 5.955 -8.602) 10.963 5.941 ( -2.145 4.929 -2.103) 5.772 6.198 ( 0.764 3.901 -5.200) 6.545 6.358 ( 1.999 -4.130 3.735) 5.916 7.106 ( -8.812 -17.238 4.308) 19.833 10.440 ( 3.746 3.824 -1.016) 5.449 10.626 ( 3.888 4.050 3.350) 6.538 10.807 ( -2.793 1.117 -4.980) 5.818 10.820 ( 8.397 3.254 2.419) 9.325 10.998 ( -2.271 -0.571 2.465) 3.400 11.059 ( 3.806 0.256 -0.910) 3.922 32.035 ( 0.290 -0.263 0.331) 0.512 32.081 ( -0.986 -1.234 -0.060) 1.581 32.118 ( -0.036 -0.155 -1.125) 1.136 32.152 ( 0.138 0.005 -0.596) 0.612 32.174 ( -1.754 -0.350 0.906) 2.005 32.201 ( -0.735 -1.717 1.349) 2.304 36.052 ( 0.180 0.028 0.086) 0.201 36.072 ( -0.132 0.045 0.025) 0.142 36.107 ( 0.257 0.276 -0.151) 0.406 36.126 ( -0.206 -0.081 -0.003) 0.222 68.649 ( 0.409 0.197 0.221) 0.505 68.692 ( -0.235 -0.130 -0.158) 0.312 70.147 ( 1.674 -0.058 0.217) 1.690 70.314 ( 0.292 -0.112 -2.018) 2.042 70.480 ( -0.583 3.038 -0.331) 3.111 70.626 ( 4.676 0.005 -0.888) 4.760 70.791 ( -5.152 2.131 1.758) 5.846 70.966 ( 0.633 -4.427 1.646) 4.765 ======================= Grid point 147 (35/105) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 13.323 2.401 16.674) 21.478 2.311 ( 21.425 -5.958 9.107) 24.031 2.760 ( -11.342 -5.900 5.937) 14.096 2.997 ( 3.975 5.179 1.004) 6.605 3.555 ( 7.897 -10.892 5.644) 14.590 3.712 ( 11.542 8.069 1.821) 14.200 5.635 ( -0.884 9.631 -3.563) 10.307 5.740 ( -6.141 13.015 -2.095) 14.543 5.926 ( 0.515 0.111 -7.010) 7.030 6.128 ( -5.333 1.546 -5.316) 7.687 6.477 ( 7.826 -4.109 2.715) 9.247 6.951 ( -7.616 -14.842 3.833) 17.117 10.514 ( 3.853 3.818 -2.881) 6.142 10.701 ( 3.112 3.235 3.711) 5.824 10.748 ( -2.498 2.137 -4.168) 5.308 10.943 ( -3.233 -0.168 3.918) 5.082 10.983 ( 7.639 1.737 1.210) 7.927 11.127 ( 2.730 0.081 -0.680) 2.814 32.040 ( 0.238 -0.856 0.265) 0.927 32.063 ( -0.804 -1.476 0.095) 1.683 32.116 ( -0.102 -0.126 -0.539) 0.563 32.143 ( -1.286 -0.198 0.560) 1.417 32.156 ( 0.291 -0.221 -0.408) 0.547 32.187 ( -0.655 -1.360 0.801) 1.709 36.056 ( 0.203 -0.069 0.088) 0.231 36.069 ( -0.206 -0.026 0.068) 0.219 36.112 ( 0.206 0.252 -0.094) 0.339 36.122 ( -0.175 0.031 0.016) 0.178 68.658 ( 0.519 0.125 0.168) 0.559 68.687 ( -0.354 -0.090 -0.076) 0.373 70.187 ( 2.321 -0.313 0.238) 2.354 70.310 ( -0.831 -0.400 -0.819) 1.234 70.480 ( 0.793 3.029 -0.831) 3.240 70.663 ( -3.448 2.398 -0.931) 4.302 70.751 ( 3.614 -1.107 1.593) 4.102 70.960 ( -1.310 -3.849 1.304) 4.269 ======================= Grid point 148 (36/105) ======================= q-point: ( 0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 13.573 -1.500 13.108) 18.928 2.495 ( -11.852 -4.636 9.900) 16.124 2.718 ( 15.763 -6.104 6.930) 18.269 2.964 ( -7.731 -1.471 4.640) 9.136 3.712 ( 7.707 -9.766 2.292) 12.650 3.812 ( -1.050 -1.976 1.132) 2.508 5.629 ( 0.203 13.498 -1.466) 13.579 5.652 ( -2.564 14.371 -0.463) 14.605 5.956 ( 2.623 -0.698 -7.953) 8.403 6.028 ( -4.548 -0.073 -7.081) 8.416 6.636 ( 8.199 -6.058 2.995) 10.625 6.797 ( -8.113 -10.021 3.397) 13.333 10.590 ( 3.876 3.543 -4.257) 6.760 10.666 ( -3.712 3.062 -4.780) 6.783 10.793 ( 4.111 1.775 5.014) 6.722 10.873 ( -3.889 0.659 4.860) 6.259 11.104 ( 4.450 0.847 0.378) 4.546 11.152 ( -0.445 0.311 -0.221) 0.586 32.044 ( 0.225 -1.363 0.218) 1.398 32.051 ( -0.461 -1.559 0.187) 1.636 32.116 ( 0.157 0.010 -0.108) 0.191 32.124 ( -0.672 0.014 0.258) 0.720 32.164 ( 0.490 -0.620 -0.129) 0.801 32.175 ( -0.602 -0.988 0.321) 1.201 36.060 ( 0.218 -0.114 0.090) 0.262 36.064 ( -0.224 -0.095 0.086) 0.258 36.116 ( 0.164 0.195 -0.030) 0.257 36.119 ( -0.153 0.122 0.009) 0.196 68.669 ( 0.538 0.046 0.099) 0.549 68.679 ( -0.470 -0.029 0.015) 0.471 70.235 ( 2.483 -0.351 0.186) 2.515 70.281 ( -2.048 -0.358 -0.068) 2.080 70.515 ( 2.699 2.663 -0.903) 3.898 70.582 ( -4.011 2.561 -0.586) 4.795 70.839 ( 4.456 -2.205 0.936) 5.059 70.915 ( -3.161 -3.033 1.074) 4.510 ======================= Grid point 157 (37/105) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 8.410 8.410 24.509) 27.242 1.948 ( 9.482 9.482 6.188) 14.769 2.816 ( -8.945 -8.945 4.557) 13.446 3.008 ( 8.800 8.800 -3.505) 12.929 3.338 ( -3.684 -3.684 10.953) 12.129 3.681 ( 12.409 12.409 0.639) 17.561 5.733 ( 2.768 2.768 -6.598) 7.672 5.885 ( 0.601 0.601 -9.786) 9.823 6.050 ( 1.869 1.869 0.016) 2.643 6.272 ( -3.145 -3.145 4.836) 6.570 6.289 ( 4.019 4.019 -4.135) 7.029 6.810 ( -11.329 -11.329 5.053) 16.800 10.514 ( 3.658 3.658 -0.509) 5.198 10.709 ( 3.996 3.996 1.927) 5.970 10.808 ( -1.024 -1.024 -4.925) 5.133 10.909 ( 5.753 5.753 2.215) 8.432 10.981 ( -1.328 -1.328 3.655) 4.109 11.085 ( 2.431 2.431 -1.234) 3.653 32.029 ( -0.370 -0.370 0.331) 0.619 32.056 ( -1.271 -1.271 0.089) 1.799 32.114 ( -0.160 -0.160 -0.808) 0.839 32.150 ( -0.154 -0.154 -0.577) 0.617 32.167 ( -1.209 -1.209 1.269) 2.130 32.169 ( -0.612 -0.612 0.508) 1.004 36.053 ( 0.057 0.057 0.090) 0.121 36.071 ( -0.165 -0.165 0.090) 0.250 36.113 ( 0.250 0.250 -0.207) 0.410 36.124 ( -0.083 -0.083 -0.004) 0.117 68.654 ( 0.328 0.328 0.191) 0.502 68.689 ( -0.195 -0.195 -0.125) 0.303 70.159 ( 1.223 1.223 0.380) 1.770 70.314 ( -0.012 -0.012 -1.266) 1.266 70.520 ( 0.779 0.779 0.226) 1.125 70.649 ( 2.626 2.626 -1.040) 3.857 70.792 ( -2.657 -2.657 1.469) 4.034 70.902 ( -1.386 -1.386 0.975) 2.190 ======================= Grid point 158 (38/105) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 7.966 5.429 17.059) 19.594 2.226 ( 16.205 -2.519 10.995) 19.744 2.628 ( -9.836 -7.264 6.824) 14.003 3.090 ( -4.639 3.007 4.044) 6.850 3.332 ( 6.879 -10.354 4.021) 13.065 3.824 ( 1.687 2.528 -1.269) 3.294 5.786 ( 2.726 5.571 -6.442) 8.942 5.904 ( 1.628 1.339 -7.459) 7.751 6.000 ( -5.023 8.518 -0.103) 9.889 6.167 ( -6.173 1.747 2.733) 6.974 6.410 ( 6.529 -2.051 -1.154) 6.940 6.675 ( -3.734 -11.824 4.059) 13.048 10.584 ( 3.471 3.102 -1.184) 4.803 10.764 ( -0.958 1.601 -2.194) 2.880 10.787 ( 1.713 2.865 0.373) 3.359 10.945 ( -2.227 0.316 3.863) 4.470 11.031 ( 6.110 3.240 1.053) 6.996 11.139 ( 2.523 1.196 -0.951) 2.950 32.021 ( -0.369 -1.041 0.309) 1.147 32.033 ( -0.980 -1.490 0.199) 1.794 32.112 ( -0.061 -0.244 -0.408) 0.479 32.138 ( -1.068 -0.285 0.504) 1.215 32.151 ( -0.033 -0.457 -0.237) 0.516 32.164 ( -0.271 -0.866 0.395) 0.990 36.054 ( 0.110 -0.062 0.102) 0.162 36.066 ( -0.250 -0.183 0.119) 0.332 36.117 ( 0.161 0.222 -0.175) 0.326 36.122 ( -0.074 0.025 -0.020) 0.080 68.661 ( 0.420 0.220 0.151) 0.498 68.685 ( -0.285 -0.125 -0.057) 0.316 70.193 ( 2.106 0.858 0.472) 2.323 70.308 ( -0.748 0.079 -0.446) 0.874 70.527 ( 0.588 1.594 0.100) 1.702 70.697 ( -2.075 1.023 -0.546) 2.377 70.733 ( 1.367 -0.825 0.915) 1.840 70.888 ( -0.828 -3.033 0.545) 3.191 ======================= Grid point 159 (39/105) ======================= q-point: ( 0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 9.421 -0.048 13.234) 16.245 2.404 ( -8.055 -4.362 10.477) 13.917 2.583 ( 14.869 -7.186 10.181) 19.400 2.885 ( -14.014 -6.800 9.633) 18.315 3.541 ( 12.052 -6.994 -1.153) 13.982 3.752 ( -8.257 -4.350 -1.879) 9.520 5.841 ( 2.896 6.986 -4.632) 8.868 5.906 ( -3.955 7.623 -2.267) 8.882 5.958 ( 3.789 3.581 -3.465) 6.260 6.051 ( -5.477 2.819 -0.301) 6.168 6.526 ( 5.155 -4.468 0.999) 6.894 6.611 ( -3.516 -7.976 2.631) 9.105 10.650 ( 3.333 2.348 -2.326) 4.693 10.714 ( -3.059 1.532 -3.361) 4.796 10.842 ( 2.891 3.042 3.224) 5.292 10.897 ( -2.675 1.744 3.748) 4.924 11.130 ( 3.602 1.820 0.103) 4.038 11.166 ( -0.061 1.150 -0.520) 1.263 32.016 ( -0.089 -1.459 0.287) 1.490 32.019 ( -0.447 -1.580 0.264) 1.663 32.113 ( 0.218 -0.263 -0.047) 0.345 32.121 ( -0.632 -0.268 0.286) 0.744 32.153 ( 0.210 -0.504 -0.168) 0.571 32.158 ( -0.283 -0.645 0.098) 0.711 36.057 ( 0.181 -0.146 0.115) 0.259 36.062 ( -0.241 -0.184 0.123) 0.327 36.119 ( 0.099 0.172 -0.113) 0.228 36.121 ( -0.074 0.107 -0.057) 0.142 68.670 ( 0.436 0.096 0.095) 0.457 68.678 ( -0.379 -0.024 0.023) 0.381 70.238 ( 2.393 0.625 0.453) 2.514 70.281 ( -1.905 0.391 0.197) 1.955 70.556 ( 2.371 1.267 -0.005) 2.688 70.619 ( -3.921 0.908 0.198) 4.030 70.800 ( 3.494 -1.501 0.070) 3.804 70.858 ( -2.283 -2.512 0.293) 3.407 ======================= Grid point 169 (40/105) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.166 5.166 22.052) 23.230 2.232 ( 5.046 5.046 6.438) 9.610 2.485 ( -6.935 -6.935 8.204) 12.786 2.982 ( -12.666 -12.666 12.646) 21.927 3.293 ( 5.588 5.588 -3.516) 8.649 3.797 ( -5.172 -5.172 -2.938) 7.882 5.865 ( 2.945 2.945 -7.156) 8.280 5.920 ( 0.791 0.791 -4.798) 4.927 6.093 ( 0.528 0.528 2.086) 2.216 6.167 ( -1.986 -1.986 5.010) 5.744 6.416 ( 2.587 2.587 -3.020) 4.744 6.534 ( -2.521 -2.521 2.247) 4.214 10.638 ( 2.493 2.493 -0.473) 3.557 10.759 ( -1.261 -1.261 -2.624) 3.173 10.852 ( 2.939 2.939 1.595) 4.452 10.946 ( -0.390 -0.390 3.012) 3.062 11.106 ( 4.079 4.079 0.362) 5.780 11.172 ( 1.895 1.895 -1.047) 2.878 32.002 ( -0.850 -0.850 0.327) 1.246 32.007 ( -1.121 -1.121 0.269) 1.608 32.108 ( -0.162 -0.162 -0.182) 0.293 32.127 ( -0.809 -0.809 0.559) 1.273 32.144 ( -0.035 -0.035 -0.243) 0.248 32.155 ( -0.255 -0.255 -0.020) 0.361 36.054 ( -0.000 -0.000 0.120) 0.120 36.062 ( -0.240 -0.240 0.143) 0.368 36.120 ( 0.126 0.126 -0.188) 0.259 36.123 ( 0.007 0.007 -0.064) 0.065 68.666 ( 0.285 0.285 0.129) 0.423 68.682 ( -0.178 -0.178 -0.010) 0.253 70.219 ( 1.781 1.781 0.662) 2.604 70.308 ( -0.221 -0.221 0.082) 0.323 70.544 ( 0.423 0.423 0.674) 0.901 70.677 ( -3.055 -3.055 1.366) 4.531 70.743 ( 2.041 2.041 -1.081) 3.082 70.849 ( -1.224 -1.224 -0.238) 1.747 ======================= Grid point 170 (41/105) ======================= q-point: ( 0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 4.010 2.584 15.099) 15.834 2.333 ( -3.852 -2.674 12.137) 13.011 2.451 ( 10.465 -5.859 10.528) 15.959 2.710 ( -14.208 -10.320 12.508) 21.560 3.447 ( 9.415 -2.570 -3.273) 10.294 3.642 ( -9.744 -6.512 -3.307) 12.178 5.911 ( 1.756 1.429 -5.367) 5.825 5.930 ( -0.074 0.014 -3.556) 3.557 6.083 ( -0.070 3.660 2.186) 4.264 6.111 ( -2.741 2.026 3.511) 4.893 6.480 ( 2.959 -0.096 -1.364) 3.260 6.516 ( -0.777 -1.476 0.326) 1.700 10.684 ( 2.256 1.223 -0.721) 2.665 10.726 ( -1.996 -0.064 -1.465) 2.476 10.899 ( 1.926 2.427 1.838) 3.602 10.930 ( -1.245 1.300 2.313) 2.930 11.175 ( 2.510 2.543 -0.377) 3.593 11.197 ( 0.258 1.813 -0.843) 2.015 31.990 ( -0.295 -1.111 0.325) 1.195 31.991 ( -0.452 -1.182 0.310) 1.303 32.107 ( 0.129 -0.313 0.051) 0.342 32.113 ( -0.524 -0.490 0.291) 0.775 32.146 ( 0.174 -0.166 -0.185) 0.303 32.150 ( -0.216 -0.236 -0.125) 0.344 36.055 ( 0.100 -0.107 0.137) 0.200 36.058 ( -0.198 -0.190 0.146) 0.311 36.122 ( 0.054 0.096 -0.158) 0.192 36.123 ( -0.016 0.060 -0.112) 0.128 68.672 ( 0.291 0.125 0.096) 0.330 68.678 ( -0.244 -0.037 0.047) 0.251 70.258 ( 2.049 1.363 0.739) 2.569 70.293 ( -1.358 0.677 0.567) 1.619 70.561 ( 1.680 -0.467 0.792) 1.915 70.611 ( -3.215 -1.555 1.039) 3.719 70.788 ( 2.215 0.241 -0.848) 2.384 70.825 ( -1.471 -0.907 -0.580) 1.823 ======================= Grid point 181 (42/105) ======================= q-point: ( 0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.023 0.023 14.362) 14.362 2.307 ( 1.761 1.761 21.298) 21.443 2.383 ( 1.133 1.133 5.950) 6.162 2.510 ( -9.333 -9.333 11.727) 17.656 3.441 ( 1.884 1.884 -3.629) 4.502 3.517 ( -5.625 -5.625 -3.619) 8.740 5.926 ( 0.420 0.420 -2.855) 2.917 5.931 ( -0.038 -0.038 -1.949) 1.949 6.110 ( 0.353 0.353 2.440) 2.490 6.119 ( -0.550 -0.550 2.412) 2.534 6.503 ( 1.534 1.534 -1.706) 2.760 6.516 ( 0.273 0.273 -1.233) 1.292 10.703 ( 0.840 0.840 -0.236) 1.211 10.718 ( -0.634 -0.634 -0.482) 1.018 10.933 ( 1.080 1.080 1.496) 2.138 10.943 ( 0.052 0.052 1.657) 1.659 11.217 ( 1.470 1.470 -0.803) 2.229 11.225 ( 0.711 0.711 -0.965) 1.394 31.975 ( -0.406 -0.406 0.338) 0.667 31.975 ( -0.448 -0.448 0.333) 0.715 32.103 ( -0.063 -0.063 0.134) 0.161 32.105 ( -0.288 -0.288 0.217) 0.461 32.145 ( 0.038 0.038 -0.204) 0.211 32.147 ( -0.116 -0.116 -0.191) 0.252 36.054 ( -0.006 -0.006 0.150) 0.150 36.055 ( -0.112 -0.112 0.154) 0.221 36.123 ( 0.031 0.031 -0.166) 0.171 36.123 ( 0.014 0.014 -0.148) 0.150 68.675 ( 0.113 0.113 0.091) 0.184 68.676 ( -0.074 -0.074 0.074) 0.127 70.286 ( 1.268 1.268 0.948) 2.028 70.301 ( -0.124 -0.124 0.898) 0.915 70.554 ( 0.120 0.120 1.039) 1.052 70.574 ( -1.782 -1.782 1.149) 2.770 70.800 ( 0.775 0.775 -1.067) 1.530 70.813 ( -0.502 -0.502 -0.964) 1.197 ======================= Grid point 242 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 0.000 19.428) 19.428 0.783 ( 0.000 0.000 19.428) 19.428 1.971 ( 0.000 0.000 -8.670) 8.670 1.971 ( -0.000 -0.000 -8.670) 8.670 2.121 ( 0.000 0.000 50.382) 50.382 3.885 ( -0.000 -0.000 11.140) 11.140 5.636 ( 0.000 0.000 -3.048) 3.048 5.636 ( 0.000 0.000 -3.048) 3.048 5.992 ( 0.000 -0.000 3.700) 3.700 5.992 ( -0.000 -0.000 3.700) 3.700 6.482 ( 0.000 0.000 0.649) 0.649 7.727 ( 0.000 0.000 -17.113) 17.113 10.336 ( 0.000 0.000 7.195) 7.195 10.451 ( 0.000 0.000 4.494) 4.494 10.451 ( 0.000 0.000 4.494) 4.494 10.847 ( 0.000 0.000 -3.443) 3.443 10.847 ( 0.000 0.000 -3.443) 3.443 10.992 ( 0.000 0.000 -6.274) 6.274 32.025 ( 0.000 0.000 0.769) 0.769 32.025 ( -0.000 0.000 0.769) 0.769 32.123 ( -0.000 -0.000 -0.786) 0.786 32.123 ( 0.000 0.000 -0.786) 0.786 32.271 ( 0.000 0.000 0.967) 0.967 32.366 ( -0.000 -0.000 -0.965) 0.965 36.043 ( 0.000 0.000 0.189) 0.189 36.062 ( 0.000 0.000 -0.190) 0.190 36.105 ( -0.000 -0.000 0.501) 0.501 36.139 ( 0.000 0.000 -0.215) 0.215 68.642 ( 0.000 0.000 0.617) 0.617 68.695 ( -0.000 -0.000 -0.477) 0.477 70.112 ( 0.000 -0.000 -0.010) 0.010 70.112 ( 0.000 0.000 -0.010) 0.010 70.440 ( 0.000 -0.000 0.101) 0.101 70.440 ( 0.000 0.000 0.101) 0.101 70.960 ( 0.000 0.000 1.852) 1.852 71.118 ( 0.000 0.000 -1.398) 1.398 ======================= Grid point 243 (44/105) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 22.711 0.000 13.988) 26.673 1.144 ( 28.612 0.000 15.005) 32.308 2.055 ( 8.242 0.000 -8.017) 11.498 2.175 ( 17.598 0.000 2.222) 17.738 2.237 ( 13.802 0.000 36.362) 38.893 3.842 ( -4.161 0.000 11.793) 12.505 5.606 ( -2.986 0.000 -3.015) 4.243 5.685 ( 4.109 0.000 -5.008) 6.477 5.927 ( -4.692 0.000 0.129) 4.693 5.951 ( -4.108 0.000 3.536) 5.421 6.493 ( 0.660 0.000 2.604) 2.687 7.715 ( -1.430 0.000 -14.232) 14.303 10.321 ( -0.959 0.000 5.303) 5.389 10.491 ( 3.616 0.000 5.900) 6.920 10.499 ( 4.775 0.000 4.276) 6.410 10.814 ( -3.021 0.000 -4.527) 5.442 10.873 ( 2.534 0.000 -3.231) 4.106 11.008 ( 1.233 0.000 -4.801) 4.957 32.027 ( 0.287 0.000 0.736) 0.790 32.045 ( 1.716 0.000 -0.115) 1.720 32.122 ( -0.125 0.000 -0.750) 0.761 32.124 ( 0.120 0.000 -0.738) 0.748 32.264 ( -0.801 0.000 0.962) 1.252 32.344 ( -1.874 0.000 -0.075) 1.875 36.045 ( 0.147 0.000 0.185) 0.236 36.062 ( 0.056 0.000 -0.175) 0.183 36.102 ( -0.162 0.000 0.487) 0.513 36.137 ( -0.199 0.000 -0.207) 0.287 68.643 ( 0.095 0.000 0.597) 0.605 68.694 ( -0.047 0.000 -0.468) 0.471 70.119 ( 0.711 0.000 -0.016) 0.711 70.141 ( 2.448 0.000 -1.827) 3.054 70.434 ( -0.634 0.000 0.091) 0.641 70.465 ( 2.442 0.000 -0.048) 2.443 70.946 ( -2.275 0.000 2.032) 3.051 71.101 ( -0.575 0.000 0.018) 0.575 ======================= Grid point 244 (45/105) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 27.875 0.000 8.198) 29.056 1.675 ( 23.033 0.000 18.393) 29.476 2.275 ( 13.481 0.000 -6.434) 14.938 2.561 ( 24.181 0.000 26.873) 36.151 2.687 ( 26.527 0.000 -0.608) 26.534 3.740 ( -5.421 0.000 13.847) 14.870 5.522 ( -5.443 0.000 -2.909) 6.172 5.739 ( 0.328 0.000 -7.623) 7.630 5.834 ( -7.706 0.000 3.045) 8.286 5.878 ( 0.333 0.000 -7.205) 7.212 6.508 ( 1.360 0.000 5.445) 5.612 7.659 ( -4.631 0.000 -8.928) 10.057 10.311 ( -0.003 0.000 2.699) 2.699 10.577 ( 4.933 0.000 7.117) 8.660 10.629 ( 8.185 0.000 3.664) 8.968 10.742 ( -4.121 0.000 -5.683) 7.020 10.942 ( 4.381 0.000 -2.662) 5.126 11.028 ( 0.647 0.000 -2.511) 2.593 32.035 ( 0.529 0.000 0.640) 0.830 32.078 ( 1.471 0.000 -0.735) 1.645 32.118 ( -0.255 0.000 -0.647) 0.696 32.127 ( 0.133 0.000 -0.660) 0.673 32.239 ( -1.710 0.000 0.910) 1.937 32.305 ( -1.926 0.000 0.868) 2.113 36.049 ( 0.252 0.000 0.174) 0.307 36.064 ( 0.088 0.000 -0.133) 0.159 36.101 ( 0.057 0.000 0.346) 0.351 36.132 ( -0.291 0.000 -0.170) 0.337 68.646 ( 0.239 0.000 0.541) 0.591 68.693 ( -0.081 0.000 -0.423) 0.430 70.140 ( 1.354 0.000 -0.030) 1.355 70.193 ( 2.738 0.000 -3.428) 4.388 70.415 ( -1.225 0.000 0.064) 1.227 70.530 ( 3.933 0.000 -0.564) 3.974 70.867 ( -4.928 0.000 2.698) 5.618 71.111 ( 0.919 0.000 1.284) 1.578 ======================= Grid point 245 (46/105) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 16.126 0.000 22.848) 27.966 2.092 ( 26.074 0.000 4.830) 26.518 2.556 ( 14.480 0.000 -4.530) 15.172 3.022 ( 14.757 0.000 2.395) 14.950 3.182 ( 25.375 0.000 13.441) 28.715 3.706 ( 5.208 0.000 15.025) 15.902 5.401 ( -6.590 0.000 -2.701) 7.122 5.657 ( -10.082 0.000 2.231) 10.326 5.727 ( -0.614 0.000 -10.044) 10.062 5.889 ( -0.473 0.000 -12.116) 12.126 6.564 ( 4.507 0.000 6.746) 8.113 7.528 ( -8.681 0.000 -4.460) 9.760 10.323 ( 1.244 0.000 0.310) 1.282 10.654 ( -3.676 0.000 -4.424) 5.752 10.682 ( 4.573 0.000 5.687) 7.298 10.806 ( 9.388 0.000 2.763) 9.786 11.030 ( -0.564 0.000 -0.268) 0.625 11.035 ( 4.804 0.000 -1.883) 5.160 32.048 ( 0.692 0.000 0.494) 0.851 32.099 ( 0.560 0.000 -0.440) 0.712 32.111 ( -0.392 0.000 -0.492) 0.629 32.133 ( 0.654 0.000 -0.679) 0.942 32.200 ( -2.156 0.000 0.792) 2.297 32.271 ( -1.619 0.000 1.059) 1.935 36.054 ( 0.289 0.000 0.156) 0.329 36.065 ( 0.079 0.000 -0.074) 0.108 36.104 ( 0.222 0.000 0.231) 0.320 36.127 ( -0.272 0.000 -0.087) 0.285 68.652 ( 0.394 0.000 0.453) 0.600 68.691 ( -0.160 0.000 -0.316) 0.354 70.172 ( 1.872 0.000 -0.047) 1.873 70.249 ( 3.057 0.000 -3.537) 4.675 70.386 ( -1.731 0.000 0.026) 1.732 70.596 ( 1.695 0.000 -1.545) 2.293 70.789 ( -1.758 0.000 3.298) 3.738 71.118 ( -0.456 0.000 1.836) 1.892 ======================= Grid point 246 (47/105) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 13.946 0.000 21.406) 25.548 2.552 ( 20.164 0.000 2.676) 20.340 2.812 ( 10.682 0.000 -2.600) 10.994 3.044 ( -7.449 0.000 5.508) 9.264 3.681 ( 22.939 0.000 14.594) 27.188 3.936 ( 13.650 0.000 9.482) 16.620 5.280 ( -5.166 0.000 -2.289) 5.651 5.454 ( -10.088 0.000 1.109) 10.148 5.727 ( 0.601 0.000 -11.733) 11.748 5.855 ( -2.662 0.000 -13.611) 13.869 6.682 ( 7.404 0.000 5.601) 9.284 7.324 ( -11.787 0.000 -1.334) 11.863 10.359 ( 2.376 0.000 -1.802) 2.982 10.568 ( -4.353 0.000 -5.673) 7.151 10.784 ( 5.117 0.000 6.628) 8.373 10.980 ( 7.952 0.000 1.777) 8.149 11.005 ( -1.941 0.000 1.876) 2.699 11.117 ( 3.228 0.000 -1.011) 3.383 32.062 ( 0.762 0.000 0.313) 0.824 32.102 ( -0.530 0.000 -0.302) 0.610 32.104 ( 0.134 0.000 -0.080) 0.156 32.152 ( 1.054 0.000 -0.543) 1.186 32.159 ( -1.714 0.000 0.687) 1.847 32.240 ( -1.569 0.000 0.853) 1.786 36.059 ( 0.255 0.000 0.131) 0.287 36.066 ( 0.024 0.000 -0.010) 0.026 36.109 ( 0.258 0.000 0.191) 0.321 36.122 ( -0.218 0.000 0.022) 0.219 68.661 ( 0.490 0.000 0.331) 0.591 68.687 ( -0.281 0.000 -0.165) 0.325 70.212 ( 2.221 0.000 -0.059) 2.222 70.315 ( 3.641 0.000 -2.991) 4.712 70.348 ( -2.113 0.000 -0.013) 2.113 70.566 ( -3.873 0.000 -1.394) 4.116 70.826 ( 4.539 0.000 2.497) 5.181 71.089 ( -2.479 0.000 2.003) 3.187 ======================= Grid point 247 (48/105) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 12.931 0.000 17.319) 21.614 2.846 ( -11.674 0.000 12.154) 16.852 2.857 ( 10.263 0.000 0.969) 10.309 2.941 ( 1.651 0.000 -0.743) 1.810 4.028 ( 11.549 0.000 11.467) 16.275 4.114 ( 2.901 0.000 9.214) 9.659 5.222 ( -0.131 0.000 -1.482) 1.488 5.285 ( -6.392 0.000 -0.234) 6.396 5.751 ( 1.838 0.000 -12.814) 12.945 5.798 ( -2.846 0.000 -13.587) 13.882 6.856 ( 10.318 0.000 3.348) 10.848 7.082 ( -12.390 0.000 1.035) 12.434 10.415 ( 3.289 0.000 -3.559) 4.846 10.486 ( -3.957 0.000 -4.881) 6.283 10.878 ( 4.383 0.000 5.477) 7.015 10.954 ( -3.270 0.000 3.834) 5.039 11.104 ( 4.442 0.000 0.815) 4.516 11.150 ( -0.204 0.000 -0.109) 0.232 32.077 ( 0.743 0.000 0.113) 0.751 32.091 ( -0.656 0.000 -0.096) 0.663 32.110 ( 0.561 0.000 0.143) 0.579 32.127 ( -1.267 0.000 0.343) 1.313 32.179 ( 1.447 0.000 0.026) 1.447 32.209 ( -1.545 0.000 0.471) 1.615 36.064 ( 0.171 0.000 0.095) 0.195 36.066 ( -0.067 0.000 0.048) 0.082 36.114 ( 0.227 0.000 0.169) 0.283 36.118 ( -0.200 0.000 0.116) 0.231 68.671 ( 0.490 0.000 0.178) 0.521 68.680 ( -0.406 0.000 0.006) 0.407 70.258 ( 2.377 0.000 -0.059) 2.378 70.304 ( -2.337 0.000 -0.043) 2.338 70.392 ( 4.227 0.000 -2.244) 4.786 70.480 ( -4.583 0.000 -1.576) 4.846 70.927 ( 5.265 0.000 1.994) 5.629 71.022 ( -4.242 0.000 1.969) 4.677 ======================= Grid point 254 (49/105) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 13.551 13.551 14.430) 23.989 1.465 ( 22.098 22.098 14.050) 34.264 2.136 ( 7.814 7.814 -6.411) 12.775 2.349 ( 12.577 12.577 39.963) 43.742 2.351 ( 16.134 16.134 -7.193) 23.924 3.802 ( -3.918 -3.918 12.468) 13.644 5.638 ( -0.605 -0.605 -7.134) 7.186 5.652 ( 0.025 0.025 -3.885) 3.885 5.927 ( -1.787 -1.787 0.433) 2.564 5.934 ( 0.282 0.282 1.034) 1.109 6.504 ( 0.438 0.438 4.036) 4.083 7.661 ( -4.821 -4.821 -11.601) 13.456 10.328 ( 0.448 0.448 4.608) 4.651 10.494 ( 2.172 2.172 4.348) 5.323 10.561 ( 4.559 4.559 5.832) 8.694 10.807 ( -1.591 -1.591 -4.995) 5.478 10.875 ( 1.370 1.370 -3.296) 3.823 11.021 ( 1.008 1.008 -3.689) 3.955 32.030 ( 0.244 0.244 0.743) 0.819 32.058 ( 1.142 1.142 -0.531) 1.701 32.117 ( -0.300 -0.300 -0.638) 0.766 32.128 ( 0.222 0.222 -0.778) 0.839 32.257 ( -0.712 -0.712 0.966) 1.395 32.326 ( -1.673 -1.673 0.433) 2.405 36.046 ( 0.127 0.127 0.181) 0.255 36.064 ( 0.126 0.126 -0.213) 0.278 36.101 ( -0.067 -0.067 0.443) 0.453 36.136 ( -0.173 -0.173 -0.197) 0.314 68.644 ( 0.091 0.091 0.577) 0.591 68.694 ( -0.061 -0.061 -0.459) 0.467 70.115 ( 0.155 0.155 0.076) 0.232 70.170 ( 2.091 2.091 -2.714) 4.013 70.453 ( 0.624 0.624 0.062) 0.885 70.464 ( 1.220 1.220 -0.136) 1.731 70.951 ( -0.503 -0.503 2.000) 2.122 71.072 ( -1.816 -1.816 0.836) 2.700 ======================= Grid point 255 (50/105) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 23.735 1.736 11.167) 26.289 1.867 ( 18.005 12.240 20.404) 29.838 2.343 ( 12.671 6.668 -6.501) 15.725 2.700 ( 22.082 12.981 15.144) 29.757 2.766 ( 23.647 8.332 5.242) 25.614 3.709 ( -4.593 -2.858 14.525) 15.500 5.563 ( -4.596 3.021 -6.348) 8.399 5.674 ( -0.583 -4.454 -7.855) 9.049 5.857 ( -4.589 3.836 -2.522) 6.491 5.971 ( 2.305 5.354 -0.911) 5.900 6.500 ( -0.251 -0.684 5.832) 5.878 7.552 ( -6.087 -9.866 -7.161) 13.626 10.337 ( 0.546 2.375 2.562) 3.536 10.573 ( 5.262 0.416 5.105) 7.343 10.673 ( 6.870 3.713 5.177) 9.369 10.751 ( -3.672 0.624 -5.696) 6.806 10.933 ( 4.109 -0.399 -2.913) 5.053 11.038 ( 0.569 0.702 -1.728) 1.950 32.037 ( 0.447 0.116 0.669) 0.812 32.082 ( 1.116 0.342 -0.776) 1.401 32.110 ( -0.406 -0.577 -0.503) 0.867 32.132 ( 0.157 0.302 -0.759) 0.832 32.235 ( -1.594 -0.466 0.928) 1.903 32.289 ( -1.804 -1.458 1.001) 2.527 36.049 ( 0.220 0.074 0.171) 0.288 36.066 ( 0.115 0.219 -0.206) 0.322 36.101 ( 0.085 0.024 0.311) 0.324 36.131 ( -0.254 -0.111 -0.158) 0.319 68.647 ( 0.231 0.078 0.521) 0.575 68.692 ( -0.087 -0.081 -0.417) 0.434 70.129 ( 1.237 -0.547 0.098) 1.356 70.212 ( 2.167 1.401 -3.419) 4.283 70.439 ( -1.157 2.303 0.008) 2.578 70.527 ( 4.071 -0.306 -0.508) 4.114 70.890 ( -4.912 2.053 2.401) 5.840 71.071 ( 1.075 -3.715 1.519) 4.155 ======================= Grid point 256 (51/105) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 21.142 -2.994 12.032) 24.509 2.203 ( 17.637 6.074 19.431) 26.935 2.608 ( 13.637 5.046 -4.967) 15.366 3.037 ( 7.839 -0.025 -2.258) 8.158 3.260 ( 25.738 8.592 15.168) 31.086 3.693 ( 5.315 -1.145 15.270) 16.209 5.466 ( -5.127 5.331 -4.860) 8.850 5.625 ( -4.559 -1.751 -6.492) 8.124 5.770 ( -3.460 4.149 -6.095) 8.145 5.977 ( -2.205 7.804 -5.896) 10.026 6.530 ( 3.849 -3.295 6.332) 8.109 7.415 ( -8.064 -10.873 -3.379) 13.953 10.355 ( 1.359 3.058 0.304) 3.360 10.669 ( -2.261 1.360 -2.799) 3.846 10.686 ( 3.680 0.519 3.123) 4.854 10.827 ( 8.497 2.076 3.355) 9.368 11.012 ( 2.365 -0.808 -1.481) 2.905 11.049 ( 1.766 0.538 -0.410) 1.891 32.047 ( 0.572 -0.090 0.526) 0.782 32.096 ( 0.003 -0.394 -0.243) 0.462 32.105 ( 0.096 -0.448 -0.595) 0.751 32.136 ( 0.424 0.203 -0.733) 0.871 32.197 ( -2.084 -0.267 0.814) 2.253 32.258 ( -1.485 -1.260 1.070) 2.222 36.054 ( 0.259 0.011 0.156) 0.303 36.068 ( 0.042 0.206 -0.117) 0.240 36.104 ( 0.226 0.046 0.194) 0.301 36.126 ( -0.241 -0.045 -0.081) 0.258 68.653 ( 0.382 0.057 0.436) 0.582 68.690 ( -0.153 -0.082 -0.316) 0.360 70.161 ( 1.939 -0.760 0.111) 2.086 70.256 ( 2.319 0.507 -3.191) 3.977 70.413 ( -1.420 2.563 -0.115) 2.932 70.603 ( 2.745 0.429 -1.379) 3.102 70.801 ( -3.042 1.238 2.954) 4.418 71.083 ( -0.118 -3.317 1.806) 3.779 ======================= Grid point 257 (52/105) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 14.616 -2.525 17.031) 22.584 2.572 ( 18.585 1.418 9.635) 20.982 2.841 ( 8.484 2.558 -2.174) 9.124 3.019 ( -5.871 -2.218 4.880) 7.950 3.712 ( 19.073 2.880 11.775) 22.599 3.884 ( 10.659 -5.081 10.686) 15.925 5.377 ( -3.480 8.776 -2.981) 9.900 5.505 ( -6.822 4.808 -2.365) 8.675 5.736 ( -0.193 1.161 -10.592) 10.658 5.902 ( -4.728 4.926 -9.994) 12.104 6.644 ( 7.332 -3.775 5.112) 9.703 7.233 ( -10.422 -8.934 -0.653) 13.742 10.391 ( 2.313 3.120 -1.726) 4.250 10.590 ( -4.103 2.081 -5.486) 7.160 10.788 ( 5.072 0.403 6.147) 7.980 10.989 ( 7.488 0.877 1.868) 7.767 11.004 ( -1.827 -0.120 1.918) 2.652 11.115 ( 3.166 -0.246 -0.991) 3.326 32.058 ( 0.595 -0.378 0.347) 0.786 32.089 ( -0.462 -0.973 -0.014) 1.077 32.108 ( 0.111 0.072 -0.302) 0.330 32.150 ( 0.638 -0.247 -0.531) 0.866 32.159 ( -1.433 -0.052 0.640) 1.570 32.229 ( -1.433 -1.009 0.833) 1.941 36.059 ( 0.243 -0.033 0.136) 0.281 36.068 ( -0.035 0.115 -0.019) 0.122 36.109 ( 0.257 0.047 0.145) 0.299 36.122 ( -0.200 0.001 0.011) 0.200 68.661 ( 0.476 0.029 0.319) 0.574 68.686 ( -0.266 -0.061 -0.167) 0.320 70.203 ( 2.308 -0.715 0.116) 2.419 70.296 ( 1.283 -0.873 -1.930) 2.477 70.393 ( -0.065 3.369 -0.835) 3.471 70.590 ( -3.549 2.233 -1.416) 4.425 70.815 ( 3.958 -1.038 2.429) 4.758 71.061 ( -2.178 -2.740 1.888) 3.977 ======================= Grid point 258 (53/105) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 12.375 -3.032 15.387) 19.977 2.791 ( -9.308 -4.138 10.209) 14.421 2.881 ( 10.299 1.574 4.464) 11.335 2.988 ( -0.218 3.587 1.583) 3.927 3.978 ( 7.836 -4.680 9.681) 13.305 4.025 ( 2.806 -8.326 9.292) 12.788 5.344 ( 0.320 11.294 -1.318) 11.375 5.390 ( -4.330 9.721 -0.879) 10.678 5.754 ( 1.981 0.403 -12.285) 12.451 5.813 ( -3.957 1.773 -12.132) 12.884 6.811 ( 9.649 -4.395 3.251) 11.090 7.018 ( -11.111 -6.308 1.364) 12.849 10.444 ( 3.134 2.910 -3.417) 5.474 10.512 ( -3.745 2.547 -4.696) 6.524 10.880 ( 4.276 0.209 5.282) 6.799 10.954 ( -3.191 0.014 3.813) 4.972 11.106 ( 4.191 0.213 0.747) 4.263 11.148 ( -0.082 -0.145 -0.199) 0.260 32.070 ( 0.540 -0.730 0.180) 0.926 32.080 ( -0.477 -0.994 0.079) 1.106 32.112 ( 0.443 0.171 0.015) 0.475 32.128 ( -1.144 0.035 0.285) 1.180 32.174 ( 1.291 -0.478 0.010) 1.377 32.201 ( -1.411 -0.752 0.447) 1.660 36.063 ( 0.187 -0.034 0.104) 0.217 36.066 ( -0.112 0.020 0.055) 0.126 36.114 ( 0.224 0.040 0.125) 0.260 36.118 ( -0.191 0.027 0.086) 0.211 68.671 ( 0.475 -0.001 0.171) 0.505 68.679 ( -0.391 -0.032 0.003) 0.392 70.249 ( 2.328 -0.671 0.046) 2.423 70.290 ( -1.632 -0.945 -0.290) 1.909 70.428 ( 3.338 3.030 -1.745) 4.834 70.507 ( -4.423 2.523 -1.430) 5.289 70.910 ( 5.015 -1.730 1.864) 5.623 71.000 ( -3.983 -2.211 1.835) 4.911 ======================= Grid point 266 (54/105) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 13.236 13.236 11.061) 21.742 2.091 ( 10.827 10.827 26.375) 30.497 2.517 ( 10.596 10.596 -7.099) 16.582 2.915 ( 8.356 8.356 -4.367) 12.599 3.082 ( 21.066 21.066 16.131) 33.878 3.652 ( -1.945 -1.945 16.149) 16.382 5.590 ( -2.230 -2.230 -7.140) 7.805 5.610 ( -0.116 -0.116 -13.119) 13.120 5.949 ( 2.420 2.420 -0.457) 3.453 6.052 ( 4.471 4.471 -1.698) 6.547 6.480 ( -1.724 -1.724 6.708) 7.137 7.330 ( -11.288 -11.288 -4.082) 16.477 10.388 ( 2.505 2.505 1.845) 3.995 10.611 ( 3.614 3.614 3.959) 6.466 10.748 ( -1.264 -1.264 -5.700) 5.974 10.763 ( 5.373 5.373 5.287) 9.257 10.950 ( 2.349 2.349 -2.899) 4.409 11.048 ( 0.240 0.240 -0.277) 0.438 32.040 ( 0.187 0.187 0.663) 0.714 32.090 ( 0.337 0.337 -0.571) 0.744 32.098 ( -0.592 -0.592 -0.469) 0.960 32.136 ( 0.132 0.132 -0.817) 0.838 32.220 ( -1.095 -1.095 0.917) 1.800 32.255 ( -1.806 -1.806 1.129) 2.793 36.051 ( 0.135 0.135 0.164) 0.252 36.070 ( 0.153 0.153 -0.236) 0.321 36.103 ( 0.126 0.126 0.202) 0.269 36.128 ( -0.167 -0.167 -0.121) 0.265 68.649 ( 0.203 0.203 0.469) 0.550 68.690 ( -0.103 -0.103 -0.385) 0.412 70.130 ( 0.668 0.668 0.348) 1.007 70.240 ( 1.388 1.388 -3.226) 3.776 70.486 ( 1.023 1.023 0.155) 1.455 70.532 ( 2.151 2.151 -0.767) 3.137 70.913 ( -1.528 -1.528 2.216) 3.095 70.998 ( -1.916 -1.916 1.592) 3.142 ======================= Grid point 267 (55/105) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 16.819 4.013 10.694) 20.331 2.314 ( 12.445 5.468 25.796) 29.158 2.739 ( 11.335 7.928 -5.975) 15.067 3.000 ( -0.259 -3.521 -0.147) 3.534 3.488 ( 18.804 13.038 9.351) 24.719 3.667 ( 3.455 -1.554 15.969) 16.413 5.544 ( -1.482 2.027 -7.718) 8.117 5.618 ( 0.457 1.193 -12.866) 12.929 5.905 ( -5.052 9.208 -2.076) 10.706 6.136 ( 0.581 6.850 -1.545) 7.046 6.450 ( 0.754 -4.249 5.883) 7.296 7.142 ( -7.863 -15.606 -1.317) 17.525 10.431 ( 1.990 4.302 0.305) 4.750 10.699 ( 1.381 1.835 0.434) 2.337 10.708 ( 0.963 1.517 -1.487) 2.333 10.882 ( 6.697 3.483 3.797) 8.450 11.009 ( 2.349 0.777 -1.714) 3.010 11.052 ( 1.085 -0.218 0.528) 1.227 32.044 ( 0.193 -0.248 0.563) 0.645 32.080 ( -0.797 -1.051 -0.003) 1.319 32.101 ( 0.428 0.010 -0.590) 0.729 32.138 ( 0.164 -0.014 -0.790) 0.806 32.190 ( -1.805 -0.417 0.801) 2.019 32.225 ( -1.238 -1.903 1.025) 2.491 36.054 ( 0.177 0.030 0.159) 0.240 36.071 ( -0.028 0.126 -0.122) 0.177 36.106 ( 0.228 0.135 0.073) 0.275 36.125 ( -0.167 -0.074 -0.069) 0.195 68.655 ( 0.343 0.159 0.393) 0.546 68.688 ( -0.141 -0.106 -0.297) 0.346 70.154 ( 1.730 0.206 0.468) 1.804 70.267 ( 1.385 0.648 -2.602) 3.018 70.476 ( -0.997 3.548 -0.037) 3.686 70.607 ( 4.128 0.052 -1.066) 4.263 70.831 ( -4.794 1.470 2.282) 5.509 70.999 ( 0.327 -4.919 1.537) 5.164 ======================= Grid point 268 (56/105) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 13.456 -0.318 13.117) 18.794 2.593 ( 15.565 0.718 18.408) 24.118 2.863 ( -3.584 -2.129 3.577) 5.493 3.000 ( 5.153 1.964 -0.872) 5.583 3.737 ( 4.514 -7.188 12.123) 14.799 3.785 ( 8.990 1.455 6.978) 11.474 5.542 ( 1.209 6.192 -6.175) 8.828 5.633 ( 1.094 7.133 -9.081) 11.599 5.799 ( -4.818 6.691 -5.047) 9.667 6.043 ( -7.934 8.826 -2.869) 12.210 6.542 ( 7.177 -6.285 3.714) 10.238 7.000 ( -7.149 -13.858 0.740) 15.611 10.472 ( 2.248 4.784 -1.414) 5.472 10.642 ( -3.272 2.913 -4.902) 6.574 10.803 ( 4.764 1.289 4.950) 6.990 11.003 ( -1.741 0.206 2.139) 2.765 11.014 ( 6.263 1.706 1.910) 6.767 11.109 ( 3.132 -0.230 -1.115) 3.332 32.047 ( 0.136 -0.793 0.412) 0.904 32.066 ( -0.663 -1.334 0.158) 1.498 32.108 ( 0.282 -0.055 -0.282) 0.403 32.143 ( 0.182 -0.350 -0.457) 0.604 32.157 ( -1.186 -0.113 0.469) 1.280 32.203 ( -1.094 -1.563 0.739) 2.045 36.058 ( 0.201 -0.054 0.152) 0.257 36.070 ( -0.144 0.038 0.004) 0.149 36.111 ( 0.242 0.113 0.016) 0.267 36.122 ( -0.153 -0.005 -0.020) 0.154 68.663 ( 0.431 0.101 0.291) 0.530 68.684 ( -0.231 -0.078 -0.158) 0.291 70.194 ( 2.303 0.005 0.490) 2.355 70.288 ( 0.470 -0.004 -1.436) 1.511 70.465 ( 0.224 3.804 -0.558) 3.851 70.640 ( -2.102 2.416 -1.368) 3.483 70.790 ( 1.894 -1.439 2.184) 3.229 70.988 ( -1.498 -4.449 1.479) 4.922 ======================= Grid point 269 (57/105) ======================= q-point: ( 0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 10.807 -2.677 13.470) 17.476 2.704 ( -8.916 -4.475 10.568) 14.533 2.898 ( 12.500 -0.203 10.378) 16.248 3.056 ( -2.345 2.949 3.352) 5.043 3.811 ( 3.808 -12.308 8.592) 15.486 3.867 ( -0.517 -6.851 5.357) 8.712 5.583 ( 2.699 10.251 -3.761) 11.248 5.634 ( -1.872 14.820 -1.185) 14.985 5.770 ( 3.018 1.338 -10.707) 11.204 5.884 ( -7.575 6.039 -6.731) 11.796 6.694 ( 8.034 -7.105 2.759) 11.074 6.852 ( -7.906 -9.935 1.935) 12.844 10.521 ( 2.734 4.536 -2.918) 6.047 10.578 ( -3.130 3.893 -4.094) 6.458 10.889 ( 3.915 0.745 4.704) 6.165 10.956 ( -2.964 0.321 3.719) 4.767 11.113 ( 3.516 0.582 0.495) 3.598 11.146 ( 0.248 -0.020 -0.498) 0.557 32.050 ( 0.179 -1.258 0.302) 1.306 32.055 ( -0.406 -1.438 0.258) 1.516 32.115 ( 0.471 0.036 -0.030) 0.473 32.128 ( -0.945 -0.013 0.206) 0.968 32.162 ( 0.881 -0.696 -0.059) 1.125 32.182 ( -1.058 -1.143 0.352) 1.596 36.062 ( 0.207 -0.084 0.133) 0.260 36.066 ( -0.193 -0.048 0.088) 0.217 36.115 ( 0.202 0.078 0.011) 0.217 36.119 ( -0.163 0.040 0.008) 0.168 68.671 ( 0.428 0.037 0.159) 0.458 68.679 ( -0.345 -0.026 0.003) 0.346 70.240 ( 2.291 -0.048 0.341) 2.317 70.278 ( -1.395 -0.128 -0.199) 1.415 70.495 ( 2.757 3.495 -1.051) 4.574 70.566 ( -4.206 3.171 -0.993) 5.360 70.863 ( 4.338 -2.874 1.420) 5.394 70.940 ( -3.314 -3.675 1.385) 5.139 ======================= Grid point 278 (58/105) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 9.388 9.388 10.218) 16.754 2.433 ( 7.077 7.077 27.268) 29.047 2.905 ( -5.701 -5.701 4.290) 9.133 2.909 ( 8.885 8.885 -6.771) 14.273 3.623 ( -3.112 -3.112 17.054) 17.613 3.715 ( 8.877 8.877 3.590) 13.058 5.578 ( 2.183 2.183 -9.027) 9.540 5.658 ( 2.756 2.756 -12.507) 13.100 6.053 ( 2.478 2.478 0.472) 3.536 6.224 ( 3.957 3.957 -2.908) 6.307 6.384 ( -2.881 -2.881 6.558) 7.721 6.865 ( -10.995 -10.995 0.060) 15.550 10.508 ( 3.316 3.316 0.061) 4.691 10.714 ( -0.429 -0.429 -4.645) 4.684 10.762 ( 3.823 3.823 3.344) 6.357 10.962 ( 4.595 4.595 3.034) 7.172 11.038 ( -0.654 -0.654 2.214) 2.399 11.049 ( 2.600 2.600 -2.416) 4.399 32.037 ( -0.403 -0.403 0.535) 0.782 32.058 ( -1.127 -1.127 0.145) 1.601 32.103 ( 0.155 0.155 -0.371) 0.431 32.137 ( -0.029 -0.029 -0.736) 0.737 32.180 ( -0.856 -0.856 0.596) 1.349 32.189 ( -1.532 -1.532 0.901) 2.347 36.055 ( 0.067 0.067 0.168) 0.192 36.072 ( -0.085 -0.085 -0.023) 0.122 36.110 ( 0.202 0.202 -0.067) 0.293 36.123 ( -0.087 -0.087 -0.061) 0.137 68.659 ( 0.278 0.278 0.335) 0.516 68.686 ( -0.121 -0.121 -0.230) 0.287 70.170 ( 1.392 1.392 0.740) 2.103 70.282 ( 0.836 0.836 -1.896) 2.234 70.528 ( 1.036 1.036 0.626) 1.594 70.625 ( 2.470 2.470 -1.397) 3.762 70.830 ( -2.668 -2.668 2.268) 4.402 70.920 ( -2.076 -2.076 0.719) 3.023 ======================= Grid point 279 (59/105) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 9.612 3.441 11.196) 15.152 2.608 ( 10.867 1.185 23.646) 26.050 2.776 ( -6.768 -5.524 8.035) 11.870 3.080 ( 7.070 5.252 -4.789) 10.025 3.545 ( -3.858 -11.170 16.406) 20.219 3.806 ( -0.055 -1.013 0.132) 1.023 5.639 ( 3.914 4.408 -8.338) 10.211 5.729 ( 4.463 3.630 -9.980) 11.520 5.995 ( -5.465 10.785 -0.297) 12.094 6.210 ( -7.549 7.189 1.542) 10.538 6.414 ( 7.001 -6.222 1.430) 9.474 6.730 ( -4.020 -12.548 1.259) 13.236 10.563 ( 2.423 4.121 -0.804) 4.848 10.691 ( -1.746 1.770 -3.859) 4.590 10.841 ( 3.931 2.548 3.595) 5.905 11.011 ( -1.828 0.338 2.766) 3.332 11.056 ( 4.672 2.593 1.399) 5.524 11.112 ( 3.016 0.767 -1.731) 3.561 32.029 ( -0.417 -1.008 0.459) 1.183 32.038 ( -0.872 -1.390 0.285) 1.666 32.107 ( 0.246 -0.054 -0.128) 0.282 32.138 ( 0.035 -0.169 -0.444) 0.476 32.153 ( -1.209 -0.376 0.386) 1.323 32.172 ( -0.619 -1.425 0.483) 1.627 36.057 ( 0.121 -0.041 0.176) 0.218 36.069 ( -0.208 -0.125 0.079) 0.255 36.114 ( 0.193 0.145 -0.124) 0.272 36.122 ( -0.097 -0.023 -0.066) 0.119 68.665 ( 0.352 0.192 0.257) 0.476 68.683 ( -0.180 -0.075 -0.114) 0.226 70.206 ( 2.150 1.139 0.859) 2.580 70.295 ( 0.254 0.643 -0.901) 1.136 70.532 ( 0.233 2.682 0.412) 2.724 70.677 ( 0.580 1.540 -1.297) 2.095 70.762 ( -1.472 -1.536 1.853) 2.822 70.899 ( -1.039 -4.179 0.540) 4.340 ======================= Grid point 280 (60/105) ======================= q-point: ( 0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 7.944 -0.486 12.537) 14.850 2.624 ( -7.299 -3.481 11.373) 13.955 2.868 ( 13.271 -2.702 16.780) 21.564 3.090 ( -7.274 0.155 7.753) 10.632 3.561 ( 6.537 -12.357 5.595) 15.058 3.722 ( -7.661 -7.890 -0.172) 10.998 5.725 ( 4.634 4.875 -6.994) 9.703 5.795 ( -0.463 2.211 -7.855) 8.173 5.928 ( 1.636 13.007 -0.486) 13.118 6.045 ( -8.107 9.048 -0.211) 12.150 6.551 ( 6.311 -6.921 1.356) 9.464 6.655 ( -4.292 -9.415 1.682) 10.483 10.608 ( 2.239 3.973 -1.921) 4.949 10.651 ( -2.171 3.177 -2.960) 4.855 10.912 ( 3.218 1.587 3.782) 5.214 10.968 ( -2.530 0.822 3.453) 4.359 11.131 ( 2.604 1.262 -0.060) 2.895 11.151 ( 0.614 0.655 -1.053) 1.384 32.023 ( -0.114 -1.391 0.402) 1.453 32.026 ( -0.402 -1.505 0.371) 1.601 32.114 ( 0.482 -0.144 0.069) 0.508 32.127 ( -0.845 -0.186 0.227) 0.895 32.149 ( 0.440 -0.586 -0.194) 0.758 32.160 ( -0.609 -0.959 0.125) 1.143 36.060 ( 0.183 -0.115 0.171) 0.275 36.064 ( -0.226 -0.141 0.141) 0.301 36.117 ( 0.152 0.083 -0.114) 0.207 36.120 ( -0.117 0.029 -0.086) 0.148 68.672 ( 0.346 0.095 0.152) 0.390 68.679 ( -0.272 0.001 0.023) 0.273 70.250 ( 2.202 0.986 0.738) 2.523 70.285 ( -1.263 0.799 0.170) 1.504 70.556 ( 2.323 2.456 0.008) 3.381 70.620 ( -3.996 2.115 -0.088) 4.522 70.805 ( 3.465 -2.803 0.439) 4.479 70.865 ( -2.477 -3.675 0.431) 4.453 ======================= Grid point 290 (61/105) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 5.262 5.262 10.195) 12.622 2.659 ( 4.513 4.513 25.498) 26.285 2.668 ( -5.176 -5.176 10.123) 12.492 3.194 ( 5.515 5.515 -6.796) 10.345 3.313 ( -11.329 -11.329 19.948) 25.585 3.730 ( -6.590 -6.590 -3.207) 9.856 5.724 ( 4.278 4.278 -7.343) 9.514 5.799 ( 3.381 3.381 -7.367) 8.783 6.130 ( 1.412 1.412 2.090) 2.891 6.271 ( -2.712 -2.712 5.409) 6.631 6.358 ( 3.026 3.026 -3.083) 5.275 6.556 ( -4.346 -4.346 -0.110) 6.147 10.628 ( 2.570 2.570 -0.455) 3.663 10.707 ( -0.009 -0.009 -2.605) 2.605 10.896 ( 2.824 2.824 2.936) 4.956 11.007 ( -0.774 -0.774 3.107) 3.294 11.113 ( 3.014 3.014 0.248) 4.269 11.142 ( 1.992 1.992 -2.047) 3.483 32.010 ( -0.848 -0.848 0.471) 1.289 32.014 ( -1.053 -1.053 0.377) 1.536 32.106 ( 0.041 0.041 0.059) 0.082 32.137 ( 0.052 0.052 -0.460) 0.466 32.138 ( -1.019 -1.019 0.546) 1.540 32.154 ( -0.467 -0.467 -0.006) 0.660 36.057 ( 0.018 0.018 0.196) 0.198 36.065 ( -0.211 -0.211 0.147) 0.332 36.116 ( 0.124 0.124 -0.194) 0.262 36.121 ( -0.045 -0.045 -0.117) 0.133 68.670 ( 0.246 0.246 0.212) 0.407 68.681 ( -0.104 -0.104 -0.033) 0.151 70.237 ( 1.950 1.950 1.118) 2.976 70.308 ( 0.504 0.504 -0.157) 0.730 70.563 ( 0.726 0.726 1.360) 1.704 70.712 ( -3.144 -3.144 2.173) 4.949 70.715 ( 1.984 1.984 -1.783) 3.325 70.840 ( -1.840 -1.840 -0.647) 2.681 ======================= Grid point 291 (62/105) ======================= q-point: ( 0.45 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 4.253 1.862 11.443) 12.349 2.572 ( -4.413 -1.731 11.813) 12.728 2.807 ( 10.289 -2.846 22.422) 24.833 3.041 ( -12.870 -5.671 18.317) 23.093 3.370 ( 9.205 -5.825 -3.223) 11.360 3.563 ( -9.838 -8.057 -4.125) 13.369 5.802 ( 3.487 3.399 -5.796) 7.570 5.841 ( 0.181 2.331 -5.554) 6.026 6.121 ( 0.397 5.763 1.943) 6.094 6.178 ( -4.879 3.392 3.169) 6.735 6.452 ( 4.549 -2.325 -1.479) 5.319 6.514 ( -1.831 -4.272 -0.587) 4.685 10.668 ( 1.681 2.196 -0.792) 2.877 10.695 ( -1.064 1.324 -1.558) 2.305 10.946 ( 2.205 1.726 2.954) 4.070 10.983 ( -1.586 0.560 3.052) 3.485 11.163 ( 1.710 1.850 -0.910) 2.679 11.173 ( 0.713 1.454 -1.671) 2.327 31.998 ( -0.307 -1.081 0.458) 1.214 31.999 ( -0.419 -1.140 0.436) 1.291 32.110 ( 0.320 -0.216 0.212) 0.441 32.120 ( -0.733 -0.490 0.356) 0.951 32.141 ( 0.259 -0.227 -0.335) 0.481 32.147 ( -0.334 -0.406 -0.193) 0.560 36.058 ( 0.108 -0.085 0.201) 0.244 36.061 ( -0.191 -0.166 0.187) 0.314 36.118 ( 0.091 0.058 -0.197) 0.224 36.120 ( -0.066 0.003 -0.164) 0.177 68.675 ( 0.233 0.123 0.149) 0.303 68.679 ( -0.170 0.000 0.063) 0.181 70.277 ( 1.969 1.689 1.135) 2.831 70.306 ( -0.835 1.163 0.688) 1.589 70.583 ( 1.743 0.305 1.375) 2.241 70.637 ( -3.606 -0.688 1.500) 3.966 70.767 ( 2.534 -0.747 -1.272) 2.932 70.809 ( -1.744 -1.849 -1.018) 2.738 ======================= Grid point 302 (63/105) ======================= q-point: ( 0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 1.784 1.784 10.297) 10.602 2.552 ( -0.622 -0.622 10.938) 10.973 2.790 ( 2.039 2.039 26.051) 26.210 2.894 ( -7.729 -7.729 24.575) 26.896 3.338 ( 1.831 1.831 -6.983) 7.448 3.420 ( -6.111 -6.111 -6.149) 10.607 5.859 ( 2.121 2.121 -4.051) 5.041 5.874 ( 0.671 0.671 -3.824) 3.940 6.165 ( 0.386 0.386 3.349) 3.393 6.184 ( -1.461 -1.461 3.896) 4.410 6.458 ( 1.659 1.659 -2.930) 3.754 6.479 ( -0.492 -0.492 -2.550) 2.644 10.698 ( 0.924 0.924 -0.312) 1.343 10.707 ( -0.015 -0.015 -0.594) 0.594 10.974 ( 1.024 1.024 2.661) 3.030 10.986 ( -0.261 -0.261 2.739) 2.764 11.194 ( 1.059 1.059 -1.627) 2.212 11.197 ( 0.736 0.736 -1.897) 2.164 31.983 ( -0.402 -0.402 0.476) 0.742 31.983 ( -0.431 -0.431 0.469) 0.768 32.107 ( 0.006 0.006 0.291) 0.291 32.111 ( -0.357 -0.357 0.346) 0.613 32.140 ( 0.041 0.041 -0.372) 0.376 32.142 ( -0.169 -0.169 -0.330) 0.407 36.057 ( 0.003 0.003 0.216) 0.216 36.058 ( -0.106 -0.106 0.211) 0.259 36.119 ( 0.034 0.034 -0.225) 0.230 36.120 ( -0.017 -0.017 -0.211) 0.213 68.677 ( 0.098 0.098 0.137) 0.195 68.678 ( -0.042 -0.042 0.107) 0.123 70.309 ( 1.379 1.379 1.381) 2.390 70.322 ( 0.192 0.192 1.212) 1.242 70.583 ( 0.255 0.255 1.925) 1.959 70.605 ( -1.871 -1.871 2.035) 3.338 70.771 ( 0.764 0.764 -1.946) 2.226 70.786 ( -0.773 -0.773 -1.785) 2.093 ======================= Grid point 363 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 0.000 17.085) 17.085 1.136 ( 0.000 0.000 17.085) 17.085 1.773 ( 0.000 0.000 -11.687) 11.687 1.773 ( 0.000 0.000 -11.687) 11.687 3.003 ( 0.000 0.000 40.821) 40.821 3.960 ( 0.000 0.000 -5.403) 5.403 5.590 ( 0.000 -0.000 -1.624) 1.624 5.590 ( 0.000 0.000 -1.624) 1.624 6.048 ( 0.000 0.000 2.071) 2.071 6.048 ( 0.000 0.000 2.071) 2.071 6.591 ( 0.000 0.000 11.630) 11.630 7.344 ( -0.000 -0.000 -22.086) 22.086 10.494 ( 0.000 0.000 9.104) 9.104 10.548 ( -0.000 -0.000 5.460) 5.460 10.548 ( 0.000 0.000 5.460) 5.460 10.768 ( 0.000 -0.000 -4.712) 4.712 10.768 ( 0.000 0.000 -4.712) 4.712 10.850 ( -0.000 -0.000 -8.454) 8.454 32.040 ( 0.000 0.000 0.809) 0.809 32.040 ( -0.000 -0.000 0.809) 0.809 32.107 ( 0.000 0.000 -0.821) 0.821 32.107 ( 0.000 0.000 -0.821) 0.821 32.293 ( 0.000 0.000 1.260) 1.260 32.344 ( 0.000 0.000 -1.258) 1.258 36.047 ( 0.000 0.000 0.247) 0.247 36.057 ( -0.000 -0.000 -0.248) 0.248 36.115 ( 0.000 0.000 0.565) 0.565 36.134 ( 0.000 0.000 -0.363) 0.363 68.655 ( 0.000 0.000 0.757) 0.757 68.684 ( -0.000 -0.000 -0.657) 0.657 70.112 ( 0.000 -0.000 -0.007) 0.007 70.112 ( 0.000 0.000 -0.007) 0.007 70.442 ( 0.000 0.000 0.071) 0.071 70.442 ( 0.000 0.000 0.071) 0.071 71.000 ( -0.000 -0.000 2.278) 2.278 71.086 ( 0.000 0.000 -1.956) 1.956 ======================= Grid point 364 (65/105) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 16.892 0.000 14.172) 22.050 1.431 ( 25.679 0.000 14.444) 29.463 1.873 ( 9.766 0.000 -10.675) 14.468 2.003 ( 21.339 0.000 -10.628) 23.840 3.057 ( 5.712 0.000 38.706) 39.125 3.940 ( -1.829 0.000 -3.688) 4.117 5.561 ( -2.944 0.000 -1.613) 3.357 5.617 ( 2.243 0.000 -2.300) 3.213 5.920 ( -10.311 0.000 -0.391) 10.318 6.005 ( -4.373 0.000 1.972) 4.798 6.632 ( 2.552 0.000 12.127) 12.393 7.375 ( 2.683 0.000 -20.176) 20.354 10.439 ( -3.270 0.000 6.768) 7.517 10.591 ( 4.292 0.000 5.177) 6.725 10.618 ( 4.741 0.000 6.976) 8.435 10.710 ( -4.146 0.000 -5.959) 7.260 10.798 ( 3.004 0.000 -4.439) 5.360 10.899 ( 3.377 0.000 -6.458) 7.288 32.043 ( 0.215 0.000 0.772) 0.801 32.051 ( 0.979 0.000 0.519) 1.108 32.106 ( -0.049 0.000 -0.782) 0.783 32.109 ( 0.215 0.000 -0.760) 0.790 32.285 ( -0.878 0.000 1.202) 1.489 32.333 ( -1.020 0.000 -0.947) 1.391 36.049 ( 0.136 0.000 0.239) 0.275 36.058 ( 0.087 0.000 -0.231) 0.247 36.113 ( -0.194 0.000 0.579) 0.610 36.132 ( -0.186 0.000 -0.363) 0.408 68.656 ( 0.053 0.000 0.735) 0.736 68.684 ( -0.023 0.000 -0.642) 0.643 70.119 ( 0.701 0.000 -0.011) 0.701 70.121 ( 0.903 0.000 -0.533) 1.049 70.435 ( -0.652 0.000 0.064) 0.655 70.464 ( 2.169 0.000 -0.034) 2.169 70.985 ( -2.405 0.000 1.947) 3.095 71.088 ( 1.082 0.000 -1.112) 1.551 ======================= Grid point 365 (66/105) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 23.608 0.000 9.564) 25.471 1.977 ( 26.954 0.000 13.720) 30.245 2.130 ( 15.643 0.000 -8.384) 17.748 2.497 ( 26.063 0.000 -9.409) 27.710 3.241 ( 13.452 0.000 31.860) 34.583 3.904 ( -1.155 0.000 1.172) 1.646 5.478 ( -5.351 0.000 -1.577) 5.579 5.640 ( -1.541 0.000 -2.888) 3.274 5.740 ( -6.106 0.000 -6.381) 8.832 5.880 ( -8.237 0.000 1.674) 8.405 6.669 ( 1.655 0.000 10.885) 11.010 7.419 ( 0.930 0.000 -14.664) 14.693 10.385 ( -2.193 0.000 4.894) 5.363 10.622 ( -4.332 0.000 -6.522) 7.829 10.708 ( 7.314 0.000 4.416) 8.544 10.719 ( 5.000 0.000 7.363) 8.900 10.880 ( 5.178 0.000 -3.708) 6.368 10.960 ( 2.712 0.000 -4.591) 5.332 32.049 ( 0.397 0.000 0.666) 0.775 32.075 ( 1.324 0.000 0.186) 1.337 32.105 ( -0.115 0.000 -0.671) 0.681 32.113 ( 0.176 0.000 -0.684) 0.706 32.257 ( -1.934 0.000 0.883) 2.126 32.310 ( -1.263 0.000 -0.194) 1.278 36.052 ( 0.231 0.000 0.216) 0.316 36.060 ( 0.143 0.000 -0.186) 0.235 36.110 ( -0.077 0.000 0.521) 0.527 36.128 ( -0.228 0.000 -0.330) 0.402 68.658 ( 0.160 0.000 0.669) 0.688 68.683 ( -0.004 0.000 -0.589) 0.589 70.139 ( 1.339 0.000 -0.021) 1.340 70.149 ( 1.968 0.000 -1.367) 2.396 70.416 ( -1.255 0.000 0.045) 1.256 70.520 ( 3.298 0.000 -0.384) 3.321 70.909 ( -4.532 0.000 1.642) 4.820 71.124 ( 1.868 0.000 0.239) 1.883 ======================= Grid point 366 (67/105) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 23.284 0.000 6.061) 24.060 2.423 ( 18.072 0.000 16.219) 24.282 2.455 ( 16.694 0.000 -5.851) 17.690 2.925 ( 15.376 0.000 -8.227) 17.438 3.582 ( 20.409 0.000 21.915) 29.947 3.938 ( 5.835 0.000 7.081) 9.176 5.360 ( -6.406 0.000 -1.503) 6.580 5.563 ( -3.825 0.000 -6.464) 7.511 5.679 ( -2.444 0.000 -8.933) 9.262 5.690 ( -10.870 0.000 1.179) 10.933 6.714 ( 3.056 0.000 8.347) 8.889 7.389 ( -4.179 0.000 -8.905) 9.837 10.354 ( -0.910 0.000 2.868) 3.009 10.539 ( -4.038 0.000 -5.985) 7.220 10.816 ( 4.721 0.000 6.661) 8.165 10.865 ( 8.305 0.000 3.323) 8.945 10.991 ( 5.768 0.000 -2.696) 6.367 11.002 ( 1.528 0.000 -2.627) 3.039 32.058 ( 0.517 0.000 0.509) 0.725 32.097 ( 0.776 0.000 0.253) 0.817 32.101 ( -0.207 0.000 -0.507) 0.548 32.119 ( 0.725 0.000 -0.714) 1.018 32.214 ( -2.339 0.000 0.588) 2.412 32.283 ( -1.466 0.000 0.313) 1.499 36.057 ( 0.259 0.000 0.181) 0.316 36.063 ( 0.145 0.000 -0.122) 0.190 36.110 ( 0.116 0.000 0.391) 0.408 36.124 ( -0.157 0.000 -0.230) 0.279 68.662 ( 0.274 0.000 0.557) 0.621 68.683 ( -0.016 0.000 -0.469) 0.470 70.171 ( 1.858 0.000 -0.033) 1.858 70.199 ( 3.091 0.000 -1.750) 3.552 70.387 ( -1.766 0.000 0.018) 1.767 70.571 ( 1.042 0.000 -0.957) 1.415 70.840 ( -1.548 0.000 1.903) 2.453 71.144 ( -0.019 0.000 0.898) 0.898 ======================= Grid point 367 (68/105) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 18.082 0.000 3.460) 18.410 2.704 ( 11.334 0.000 15.910) 19.534 2.753 ( 12.830 0.000 -3.409) 13.275 3.073 ( 0.910 0.000 -2.432) 2.597 3.982 ( 18.653 0.000 15.025) 23.952 4.129 ( 11.674 0.000 8.719) 14.571 5.244 ( -4.767 0.000 -1.334) 4.951 5.469 ( -11.094 0.000 0.506) 11.106 5.518 ( -0.933 0.000 -9.128) 9.176 5.620 ( -3.369 0.000 -9.968) 10.522 6.790 ( 4.786 0.000 5.363) 7.188 7.260 ( -8.527 0.000 -4.599) 9.688 10.349 ( 0.353 0.000 0.747) 0.826 10.466 ( -3.385 0.000 -4.828) 5.896 10.901 ( 3.905 0.000 5.337) 6.613 11.018 ( 6.842 0.000 2.089) 7.154 11.019 ( 0.127 0.000 -0.533) 0.548 11.093 ( 4.254 0.000 -1.550) 4.527 32.068 ( 0.560 0.000 0.319) 0.645 32.096 ( -0.322 0.000 -0.311) 0.447 32.105 ( 0.218 0.000 0.123) 0.250 32.143 ( 1.334 0.000 -0.371) 1.385 32.171 ( -1.799 0.000 0.446) 1.853 32.252 ( -1.727 0.000 0.409) 1.775 36.062 ( 0.216 0.000 0.135) 0.255 36.066 ( 0.091 0.000 -0.051) 0.104 36.113 ( 0.193 0.000 0.269) 0.331 36.121 ( -0.091 0.000 -0.087) 0.126 68.668 ( 0.327 0.000 0.391) 0.509 68.682 ( -0.093 0.000 -0.282) 0.297 70.211 ( 2.215 0.000 -0.042) 2.215 70.269 ( 4.069 0.000 -1.678) 4.402 70.348 ( -2.145 0.000 -0.009) 2.145 70.541 ( -3.698 0.000 -1.048) 3.843 70.868 ( 3.850 0.000 1.646) 4.188 71.120 ( -2.368 0.000 1.181) 2.646 ======================= Grid point 368 (69/105) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 8.350 0.000 1.203) 8.436 2.890 ( 7.979 0.000 11.736) 14.191 2.923 ( 3.682 0.000 -1.044) 3.827 3.021 ( -5.190 0.000 5.326) 7.437 4.261 ( 8.741 0.000 11.370) 14.342 4.303 ( 4.275 0.000 9.276) 10.214 5.198 ( 0.655 0.000 -0.945) 1.150 5.280 ( -7.458 0.000 -0.269) 7.463 5.520 ( 1.059 0.000 -10.175) 10.230 5.558 ( -2.690 0.000 -10.430) 10.772 6.908 ( 7.358 0.000 2.071) 7.644 7.077 ( -9.536 0.000 -1.228) 9.615 10.367 ( 1.511 0.000 -1.332) 2.014 10.407 ( -2.528 0.000 -3.233) 4.104 10.967 ( 2.733 0.000 3.593) 4.514 11.007 ( -1.342 0.000 1.586) 2.077 11.120 ( 3.369 0.000 0.850) 3.474 11.145 ( 0.840 0.000 -0.360) 0.914 32.079 ( 0.528 0.000 0.112) 0.540 32.089 ( -0.438 0.000 -0.101) 0.450 32.113 ( 0.680 0.000 0.133) 0.693 32.133 ( -1.351 0.000 0.183) 1.363 32.181 ( 1.744 0.000 0.077) 1.746 32.216 ( -1.847 0.000 0.281) 1.868 36.065 ( 0.122 0.000 0.082) 0.147 36.067 ( -0.008 0.000 0.019) 0.021 36.117 ( 0.160 0.000 0.165) 0.230 36.120 ( -0.100 0.000 0.052) 0.112 68.674 ( 0.295 0.000 0.179) 0.346 68.679 ( -0.203 0.000 -0.055) 0.210 70.257 ( 2.384 0.000 -0.041) 2.385 70.304 ( -2.358 0.000 -0.030) 2.358 70.356 ( 4.745 0.000 -1.388) 4.944 70.452 ( -4.925 0.000 -1.108) 5.048 70.961 ( 5.088 0.000 1.344) 5.263 71.054 ( -4.233 0.000 1.261) 4.417 ======================= Grid point 375 (70/105) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 11.456 11.456 14.958) 22.050 1.699 ( 21.211 21.211 9.861) 31.577 1.971 ( 9.447 9.447 -8.645) 15.913 2.188 ( 17.487 17.487 -9.664) 26.552 3.112 ( 5.796 5.796 36.452) 37.363 3.922 ( -1.689 -1.689 -2.064) 3.157 5.552 ( -2.989 -2.989 -2.396) 4.859 5.581 ( -1.666 -1.666 -3.335) 4.084 5.928 ( -2.797 -2.797 0.283) 3.966 5.947 ( -1.396 -1.396 0.230) 1.988 6.664 ( 1.796 1.796 12.792) 13.041 7.357 ( -1.280 -1.280 -18.908) 18.995 10.434 ( -0.922 -0.922 6.258) 6.392 10.588 ( 1.965 1.965 5.102) 5.810 10.684 ( 4.554 4.554 6.632) 9.245 10.697 ( -2.047 -2.047 -6.202) 6.844 10.799 ( 1.551 1.551 -4.434) 4.947 10.933 ( 2.673 2.673 -5.375) 6.571 32.045 ( 0.228 0.228 0.832) 0.893 32.058 ( 0.691 0.691 0.226) 1.003 32.105 ( -0.135 -0.135 -0.602) 0.632 32.112 ( 0.216 0.216 -0.836) 0.890 32.278 ( -0.738 -0.738 1.207) 1.595 32.321 ( -1.109 -1.109 -0.750) 1.738 36.050 ( 0.117 0.117 0.233) 0.286 36.059 ( 0.103 0.103 -0.237) 0.278 36.111 ( -0.124 -0.124 0.570) 0.596 36.130 ( -0.153 -0.153 -0.357) 0.417 68.656 ( 0.049 0.049 0.711) 0.714 68.683 ( -0.034 -0.034 -0.625) 0.627 70.117 ( 0.283 0.283 0.185) 0.441 70.136 ( 1.101 1.101 -1.080) 1.894 70.454 ( 0.651 0.651 0.138) 0.932 70.461 ( 0.990 0.990 -0.179) 1.412 70.993 ( -0.431 -0.431 2.298) 2.377 71.067 ( -0.953 -0.953 -1.109) 1.745 ======================= Grid point 376 (71/105) ======================= q-point: ( 0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 20.758 3.275 12.182) 24.290 2.127 ( 20.094 10.600 1.278) 22.754 2.229 ( 16.445 10.564 1.749) 19.624 2.598 ( 21.635 9.591 -8.279) 25.072 3.297 ( 13.344 5.844 29.340) 32.757 3.892 ( -0.657 -1.029 2.476) 2.760 5.456 ( -5.196 -1.862 -4.121) 6.888 5.552 ( -2.286 -6.831 -5.129) 8.843 5.801 ( -7.271 7.347 -2.270) 10.583 5.972 ( 0.461 4.801 0.391) 4.839 6.668 ( -0.903 -0.008 11.324) 11.360 7.338 ( -0.971 -7.592 -13.961) 15.921 10.406 ( -1.495 1.914 4.633) 5.231 10.631 ( -3.302 0.682 -6.115) 6.983 10.675 ( 5.476 -0.622 5.046) 7.472 10.783 ( 5.463 3.901 5.876) 8.921 10.866 ( 4.762 -0.596 -3.949) 6.215 10.985 ( 2.447 1.956 -3.722) 4.865 32.051 ( 0.314 0.179 0.741) 0.825 32.076 ( 1.077 0.160 -0.037) 1.090 32.101 ( -0.245 -0.325 -0.382) 0.558 32.116 ( 0.183 0.196 -0.832) 0.874 32.253 ( -1.821 -0.407 0.943) 2.091 32.296 ( -1.283 -1.299 -0.148) 1.832 36.053 ( 0.203 0.071 0.217) 0.305 36.062 ( 0.154 0.129 -0.230) 0.306 36.109 ( -0.039 -0.026 0.503) 0.505 36.127 ( -0.192 -0.085 -0.317) 0.380 68.658 ( 0.152 0.036 0.645) 0.663 68.683 ( -0.013 -0.056 -0.570) 0.573 70.132 ( 1.262 -0.163 0.279) 1.302 70.164 ( 1.748 1.053 -1.726) 2.672 70.440 ( -1.179 2.290 0.047) 2.576 70.518 ( 3.568 -0.275 -0.354) 3.596 70.931 ( -4.768 1.951 1.653) 5.410 71.087 ( 1.850 -3.564 0.282) 4.026 ======================= Grid point 377 (72/105) ======================= q-point: ( 0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 21.630 -1.529 9.532) 23.686 2.480 ( 16.665 4.422 -4.384) 17.791 2.551 ( 14.675 8.305 11.670) 20.506 2.944 ( 11.838 1.721 -6.642) 13.682 3.622 ( 18.699 4.041 19.892) 27.598 3.934 ( 5.746 -0.323 7.712) 9.623 5.368 ( -3.560 0.709 -4.779) 6.001 5.491 ( -3.637 -6.494 -6.041) 9.586 5.662 ( -6.546 7.816 -4.669) 11.213 5.921 ( -5.920 12.369 -0.875) 13.740 6.671 ( 1.899 -4.055 7.877) 9.060 7.296 ( -3.811 -9.108 -8.040) 12.733 10.384 ( -0.694 2.870 2.699) 4.000 10.559 ( -3.684 1.890 -5.742) 7.079 10.796 ( 5.968 -1.073 5.513) 8.195 10.900 ( 6.469 2.621 3.978) 8.034 10.966 ( 4.697 -1.169 -3.100) 5.748 11.029 ( 2.285 1.447 -1.869) 3.288 32.058 ( 0.385 -0.028 0.556) 0.677 32.094 ( 0.045 -0.580 -0.504) 0.770 32.097 ( 0.408 -0.133 0.298) 0.522 32.122 ( 0.562 0.117 -0.774) 0.964 32.211 ( -2.289 -0.243 0.604) 2.379 32.271 ( -1.376 -1.236 0.331) 1.879 36.057 ( 0.235 0.019 0.190) 0.303 36.065 ( 0.133 0.126 -0.176) 0.254 36.110 ( 0.114 -0.001 0.379) 0.396 36.123 ( -0.139 -0.033 -0.223) 0.265 68.662 ( 0.266 0.020 0.535) 0.598 68.682 ( -0.013 -0.064 -0.454) 0.459 70.164 ( 1.960 -0.340 0.327) 2.016 70.206 ( 2.571 0.614 -1.966) 3.294 70.412 ( -1.561 2.505 0.018) 2.952 70.580 ( 1.966 0.681 -0.872) 2.256 70.848 ( -2.678 0.834 1.785) 3.325 71.110 ( 0.207 -3.387 0.884) 3.507 ======================= Grid point 378 (73/105) ======================= q-point: ( 0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 16.770 -3.819 8.786) 19.314 2.773 ( 12.324 3.558 0.170) 12.828 2.799 ( 10.970 4.857 7.152) 13.967 3.051 ( 0.298 -2.114 -1.469) 2.591 3.971 ( 15.330 -1.136 13.636) 20.548 4.097 ( 9.059 -3.241 9.451) 13.486 5.319 ( -1.275 6.378 -2.968) 7.149 5.420 ( -3.442 -1.748 -5.448) 6.677 5.559 ( -3.590 4.574 -7.273) 9.311 5.766 ( -8.787 11.619 -3.868) 15.072 6.741 ( 4.975 -4.823 4.753) 8.403 7.183 ( -7.459 -7.598 -3.843) 11.320 10.381 ( 0.386 3.135 0.684) 3.232 10.491 ( -3.154 2.499 -4.609) 6.118 10.897 ( 4.290 -0.329 5.037) 6.624 11.015 ( 0.756 -0.218 -0.690) 1.046 11.028 ( 5.874 0.919 2.041) 6.286 11.093 ( 3.697 0.005 -1.243) 3.900 32.065 ( 0.389 -0.333 0.337) 0.613 32.088 ( -0.357 -0.764 -0.093) 0.848 32.105 ( 0.283 -0.010 -0.040) 0.286 32.141 ( 1.146 -0.249 -0.387) 1.235 32.169 ( -1.750 -0.132 0.420) 1.804 32.241 ( -1.607 -1.032 0.408) 1.953 36.062 ( 0.208 -0.015 0.151) 0.258 36.067 ( 0.060 0.082 -0.084) 0.132 36.113 ( 0.184 -0.015 0.252) 0.313 36.121 ( -0.091 -0.018 -0.096) 0.134 68.668 ( 0.319 0.004 0.376) 0.493 68.682 ( -0.082 -0.052 -0.272) 0.289 70.206 ( 2.246 -0.320 0.254) 2.283 70.261 ( 2.668 -0.461 -1.558) 3.123 70.384 ( -0.968 3.186 -0.195) 3.335 70.565 ( -3.283 2.265 -1.028) 4.119 70.856 ( 3.224 -1.160 1.601) 3.782 71.091 ( -2.103 -2.928 1.117) 3.774 ======================= Grid point 379 (74/105) ======================= q-point: ( 0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 9.615 -3.903 8.512) 13.422 2.916 ( -0.216 -0.888 2.604) 2.760 2.969 ( 6.078 3.947 4.378) 8.467 3.025 ( -1.033 0.781 1.883) 2.285 4.187 ( 6.351 -7.024 10.603) 14.216 4.222 ( 2.662 -7.686 9.749) 12.696 5.323 ( 1.436 11.248 -0.789) 11.366 5.362 ( -2.433 7.354 -2.107) 8.027 5.533 ( 1.195 1.343 -9.779) 9.943 5.610 ( -6.443 5.835 -7.963) 11.789 6.861 ( 7.204 -4.635 1.927) 8.780 7.020 ( -8.677 -5.635 -0.833) 10.379 10.399 ( 1.440 3.104 -1.286) 3.656 10.437 ( -2.378 2.885 -3.089) 4.850 10.966 ( 2.804 -0.030 3.547) 4.522 11.007 ( -1.325 0.014 1.594) 2.072 11.120 ( 3.075 0.008 0.715) 3.157 11.142 ( 0.875 -0.307 -0.405) 1.012 32.073 ( 0.388 -0.641 0.144) 0.763 32.081 ( -0.390 -0.791 0.022) 0.882 32.113 ( 0.660 0.052 0.048) 0.664 32.132 ( -1.259 -0.040 0.153) 1.269 32.175 ( 1.581 -0.516 0.061) 1.664 32.208 ( -1.717 -0.789 0.270) 1.909 36.065 ( 0.134 -0.014 0.092) 0.163 36.067 ( -0.036 0.024 0.012) 0.045 36.117 ( 0.159 -0.027 0.142) 0.215 36.119 ( -0.105 -0.024 0.030) 0.111 68.674 ( 0.287 -0.012 0.173) 0.335 68.679 ( -0.192 -0.032 -0.053) 0.201 70.250 ( 2.153 -0.437 0.092) 2.199 70.283 ( -0.768 -1.078 -0.345) 1.368 70.401 ( 3.055 3.526 -0.980) 4.767 70.482 ( -4.630 2.754 -1.020) 5.483 70.941 ( 4.820 -1.939 1.271) 5.349 71.030 ( -3.979 -2.431 1.183) 4.811 ======================= Grid point 387 (75/105) ======================= q-point: ( 0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 12.440 12.440 12.573) 21.624 2.339 ( 11.778 11.778 -8.901) 18.885 2.485 ( 13.203 13.203 12.877) 22.681 2.819 ( 11.120 11.120 -5.831) 16.772 3.473 ( 11.869 11.869 22.319) 27.926 3.882 ( 0.623 0.623 5.859) 5.924 5.415 ( -2.240 -2.240 -6.864) 7.560 5.444 ( -3.561 -3.561 -7.226) 8.808 5.951 ( 2.793 2.793 0.924) 4.057 6.019 ( 3.706 3.706 -1.829) 5.551 6.655 ( -2.244 -2.244 11.508) 11.938 7.170 ( -7.942 -7.942 -11.890) 16.356 10.442 ( 1.263 1.263 3.705) 4.113 10.634 ( -0.751 -0.751 -5.781) 5.877 10.699 ( 3.225 3.225 4.796) 6.618 10.863 ( 4.173 4.173 3.447) 6.834 10.885 ( 2.875 2.875 -2.273) 4.658 11.023 ( 1.733 1.733 -2.330) 3.382 32.054 ( 0.125 0.125 0.795) 0.815 32.082 ( 0.361 0.361 -0.486) 0.705 32.093 ( -0.370 -0.370 0.133) 0.539 32.119 ( 0.113 0.113 -0.911) 0.925 32.239 ( -1.201 -1.201 1.007) 1.974 32.265 ( -1.640 -1.640 -0.052) 2.320 36.055 ( 0.131 0.131 0.218) 0.287 36.065 ( 0.163 0.163 -0.287) 0.368 36.109 ( 0.016 0.016 0.441) 0.442 36.125 ( -0.115 -0.115 -0.275) 0.320 68.660 ( 0.131 0.131 0.579) 0.608 68.682 ( -0.036 -0.036 -0.514) 0.516 70.139 ( 0.884 0.884 0.661) 1.414 70.188 ( 1.441 1.441 -2.129) 2.947 70.492 ( 1.206 1.206 0.448) 1.763 70.517 ( 1.807 1.807 -0.775) 2.670 70.957 ( -1.508 -1.508 2.251) 3.100 71.011 ( -1.847 -1.847 -0.174) 2.617 ======================= Grid point 388 (76/105) ======================= q-point: ( 0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 16.433 4.392 11.495) 20.529 2.593 ( 13.686 6.942 -8.485) 17.535 2.713 ( 10.068 7.594 14.222) 19.008 2.976 ( 4.229 1.067 -2.389) 4.973 3.730 ( 13.001 6.353 14.683) 20.616 3.929 ( 3.931 -0.218 9.281) 10.082 5.387 ( -0.011 1.152 -7.666) 7.752 5.409 ( -0.189 -1.468 -8.165) 8.298 5.870 ( -6.925 12.242 -1.286) 14.124 6.121 ( 1.253 6.491 -0.362) 6.621 6.581 ( -2.980 -4.036 7.434) 8.968 7.059 ( -3.847 -13.942 -6.497) 15.856 10.455 ( 0.340 3.930 2.202) 4.518 10.602 ( -2.240 2.135 -5.040) 5.914 10.792 ( 5.579 0.903 4.701) 7.351 10.950 ( 4.662 1.752 -0.247) 4.986 10.963 ( 4.429 1.857 0.503) 4.829 11.052 ( 1.396 0.888 -0.801) 1.839 32.055 ( 0.009 -0.245 0.619) 0.666 32.079 ( -0.529 -0.905 -0.249) 1.077 32.096 ( 0.515 0.107 0.147) 0.547 32.122 ( 0.327 -0.032 -0.831) 0.894 32.204 ( -2.086 -0.466 0.615) 2.224 32.238 ( -1.190 -1.957 0.333) 2.314 36.058 ( 0.169 0.044 0.214) 0.276 36.068 ( 0.093 0.131 -0.252) 0.299 36.110 ( 0.104 0.022 0.330) 0.347 36.122 ( -0.101 -0.058 -0.205) 0.236 68.663 ( 0.241 0.099 0.479) 0.545 68.681 ( -0.014 -0.053 -0.406) 0.410 70.166 ( 1.801 0.575 0.820) 2.061 70.221 ( 1.931 0.971 -2.083) 3.002 70.478 ( -1.221 3.959 0.157) 4.146 70.588 ( 3.658 0.028 -0.755) 3.736 70.870 ( -4.725 1.260 1.593) 5.143 71.020 ( 0.534 -5.394 0.699) 5.465 ======================= Grid point 389 (77/105) ======================= q-point: ( 0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 14.606 -0.596 10.909) 18.240 2.847 ( 10.541 3.989 -4.372) 12.089 2.892 ( 8.448 4.086 9.719) 13.510 2.998 ( -0.571 -3.013 1.127) 3.267 3.933 ( 6.843 -2.871 10.180) 12.597 4.004 ( 2.929 -6.118 10.844) 12.791 5.411 ( 2.432 2.854 -6.435) 7.448 5.453 ( 4.879 4.598 -8.249) 10.630 5.728 ( -7.127 12.291 -2.497) 14.426 6.014 ( -10.234 12.664 -0.550) 16.292 6.612 ( 5.192 -7.934 3.296) 10.038 6.981 ( -4.766 -12.394 -2.212) 13.461 10.463 ( 0.613 4.914 0.532) 4.981 10.556 ( -2.359 3.752 -3.968) 5.949 10.895 ( 4.590 0.308 4.457) 6.405 11.015 ( 1.143 0.391 -1.045) 1.597 11.051 ( 4.466 1.349 1.767) 4.988 11.091 ( 2.736 -0.211 -0.631) 2.816 32.055 ( -0.052 -0.755 0.358) 0.838 32.068 ( -0.510 -1.196 0.084) 1.303 32.105 ( 0.383 0.049 -0.044) 0.388 32.134 ( 0.809 -0.363 -0.425) 0.983 32.166 ( -1.655 -0.245 0.341) 1.707 32.214 ( -1.296 -1.654 0.385) 2.136 36.061 ( 0.175 -0.025 0.187) 0.257 36.068 ( -0.013 0.058 -0.128) 0.141 36.113 ( 0.160 -0.007 0.195) 0.252 36.121 ( -0.089 -0.039 -0.119) 0.154 68.669 ( 0.293 0.063 0.338) 0.452 68.681 ( -0.061 -0.043 -0.241) 0.252 70.206 ( 2.196 0.424 0.739) 2.355 70.259 ( 1.663 0.344 -1.446) 2.230 70.459 ( -0.362 4.256 -0.112) 4.273 70.616 ( -1.684 2.523 -0.959) 3.181 70.826 ( 1.104 -1.705 1.463) 2.503 71.011 ( -1.485 -4.948 0.878) 5.240 ======================= Grid point 390 (78/105) ======================= q-point: ( 0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 9.577 -2.563 10.559) 14.484 2.880 ( -4.990 -2.470 7.678) 9.484 3.037 ( 5.205 2.817 2.548) 6.443 3.056 ( 3.620 2.063 -2.807) 5.024 4.006 ( 1.704 -11.100 9.766) 14.883 4.029 ( -0.420 -11.362 10.067) 15.186 5.484 ( 4.805 5.993 -5.593) 9.502 5.574 ( 1.485 2.870 -8.637) 9.222 5.615 ( 1.348 16.029 -0.829) 16.107 5.796 ( -11.026 12.292 -2.535) 16.706 6.735 ( 6.822 -7.780 1.497) 10.455 6.868 ( -6.491 -9.327 -0.015) 11.363 10.481 ( 1.273 5.011 -1.123) 5.291 10.513 ( -1.923 4.613 -2.650) 5.657 10.968 ( 2.896 0.300 3.426) 4.496 11.010 ( -1.343 0.344 1.659) 2.162 11.121 ( 2.331 0.098 0.289) 2.351 11.134 ( 1.013 -0.436 -0.604) 1.257 32.055 ( 0.110 -1.159 0.212) 1.183 32.060 ( -0.363 -1.302 0.176) 1.363 32.114 ( 0.642 0.060 -0.003) 0.645 32.131 ( -1.040 -0.062 0.098) 1.046 32.162 ( 1.142 -0.798 0.003) 1.393 32.188 ( -1.370 -1.251 0.225) 1.869 36.065 ( 0.150 -0.049 0.121) 0.199 36.067 ( -0.097 -0.016 0.012) 0.099 36.116 ( 0.149 -0.033 0.076) 0.170 36.119 ( -0.110 -0.041 -0.025) 0.120 68.674 ( 0.259 0.025 0.159) 0.305 68.678 ( -0.163 -0.012 -0.042) 0.169 70.248 ( 1.911 0.308 0.399) 1.977 70.273 ( -0.419 0.088 -0.322) 0.536 70.478 ( 2.457 4.132 -0.614) 4.846 70.548 ( -4.188 3.648 -0.775) 5.608 70.888 ( 4.080 -3.375 1.030) 5.394 70.963 ( -3.320 -4.201 0.921) 5.434 ======================= Grid point 399 (79/105) ======================= q-point: ( 0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 9.259 9.259 11.788) 17.618 2.750 ( 9.033 9.033 -9.346) 15.828 2.845 ( 6.055 6.055 13.921) 16.343 2.973 ( -1.423 -1.423 2.568) 3.263 3.840 ( 3.887 3.887 9.091) 10.624 3.914 ( -1.786 -1.786 11.110) 11.394 5.412 ( 2.548 2.548 -7.333) 8.171 5.444 ( 3.922 3.922 -9.003) 10.574 6.073 ( 3.021 3.021 1.627) 4.572 6.169 ( 3.584 3.584 -2.868) 5.824 6.521 ( -4.022 -4.022 7.719) 9.588 6.810 ( -9.147 -9.147 -5.477) 14.047 10.521 ( 2.574 2.574 1.406) 3.902 10.629 ( 0.493 0.493 -4.030) 4.090 10.836 ( 3.533 3.533 4.191) 6.521 10.991 ( 2.895 2.895 -3.253) 5.229 11.019 ( 3.139 3.139 2.348) 5.022 11.064 ( 0.392 0.392 0.469) 0.725 32.048 ( -0.505 -0.505 0.542) 0.897 32.060 ( -0.960 -0.960 -0.018) 1.357 32.101 ( 0.306 0.306 0.151) 0.459 32.122 ( 0.101 0.101 -0.789) 0.802 32.191 ( -1.138 -1.138 0.559) 1.704 32.200 ( -1.575 -1.575 0.263) 2.242 36.059 ( 0.075 0.075 0.231) 0.255 36.069 ( 0.024 0.024 -0.228) 0.231 36.111 ( 0.075 0.075 0.225) 0.249 36.121 ( -0.072 -0.072 -0.180) 0.206 68.666 ( 0.198 0.198 0.397) 0.486 68.681 ( -0.017 -0.017 -0.316) 0.317 70.188 ( 1.582 1.582 1.112) 2.499 70.245 ( 1.455 1.455 -1.864) 2.776 70.544 ( 1.395 1.395 1.094) 2.256 70.597 ( 2.159 2.159 -1.500) 3.401 70.874 ( -2.686 -2.686 2.178) 4.379 70.925 ( -2.514 -2.514 -0.266) 3.565 ======================= Grid point 400 (80/105) ======================= q-point: ( 0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 10.346 3.064 11.657) 15.885 2.910 ( -0.700 0.014 4.534) 4.588 2.949 ( 7.258 2.097 -5.861) 9.561 2.965 ( 5.647 2.008 9.887) 11.561 3.841 ( -4.237 -7.457 10.830) 13.815 3.868 ( -2.220 -6.908 7.628) 10.528 5.490 ( 5.088 5.101 -6.273) 9.553 5.548 ( 6.247 5.234 -8.161) 11.534 5.990 ( -6.009 13.132 -0.235) 14.443 6.228 ( -5.794 8.075 0.414) 9.948 6.453 ( 3.074 -7.311 2.268) 8.249 6.725 ( -1.896 -12.853 -1.320) 13.059 10.558 ( 1.354 4.328 0.370) 4.550 10.624 ( -0.815 2.923 -2.982) 4.255 10.914 ( 3.956 1.776 3.918) 5.844 11.036 ( 0.547 1.766 -0.910) 2.060 11.079 ( 2.768 1.163 0.764) 3.099 11.086 ( 2.499 0.009 -0.185) 2.506 32.037 ( -0.531 -0.991 0.365) 1.182 32.043 ( -0.740 -1.299 0.182) 1.505 32.107 ( 0.333 0.140 0.127) 0.383 32.128 ( 0.488 -0.210 -0.509) 0.736 32.160 ( -1.539 -0.396 0.243) 1.608 32.180 ( -0.877 -1.689 0.303) 1.927 36.061 ( 0.107 -0.019 0.217) 0.243 36.068 ( -0.089 -0.047 -0.104) 0.144 36.113 ( 0.117 0.026 0.094) 0.153 36.120 ( -0.084 -0.060 -0.143) 0.177 68.671 ( 0.246 0.145 0.287) 0.405 68.680 ( -0.037 -0.003 -0.179) 0.183 70.225 ( 2.096 1.450 1.116) 2.782 70.274 ( 1.298 1.160 -1.194) 2.111 70.542 ( -0.292 3.927 0.585) 3.981 70.653 ( 1.381 1.127 -1.120) 2.105 70.795 ( -2.523 -1.390 1.417) 3.210 70.907 ( -0.965 -5.398 0.230) 5.489 ======================= Grid point 401 (81/105) ======================= q-point: ( 0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 7.852 -0.568 11.631) 14.045 2.832 ( -5.230 -2.232 10.224) 11.699 3.078 ( 4.757 1.329 2.801) 5.679 3.093 ( 4.116 1.738 -5.579) 7.148 3.763 ( -1.990 -13.157 11.547) 17.618 3.794 ( -4.251 -12.253 7.664) 15.065 5.595 ( 5.031 5.501 -5.730) 9.402 5.644 ( 1.583 4.182 -7.018) 8.321 5.922 ( 1.062 14.428 -0.197) 14.468 6.043 ( -9.556 11.841 -0.034) 15.216 6.572 ( 6.320 -8.435 0.732) 10.566 6.673 ( -3.848 -10.060 0.327) 10.776 10.581 ( 1.135 4.762 -0.782) 4.957 10.604 ( -1.161 4.273 -1.916) 4.825 10.981 ( 2.735 1.064 3.296) 4.413 11.022 ( -1.514 0.949 1.981) 2.668 11.125 ( 1.503 0.253 -0.689) 1.672 11.128 ( 1.222 0.025 -1.003) 1.581 32.030 ( -0.146 -1.321 0.280) 1.358 32.032 ( -0.365 -1.429 0.264) 1.499 32.115 ( 0.563 0.023 0.088) 0.570 32.129 ( -0.782 -0.121 0.075) 0.795 32.146 ( 0.577 -0.746 -0.114) 0.950 32.162 ( -0.913 -1.221 0.102) 1.528 36.063 ( 0.134 -0.081 0.154) 0.220 36.066 ( -0.138 -0.090 0.041) 0.170 36.116 ( 0.121 -0.021 -0.015) 0.123 36.118 ( -0.102 -0.050 -0.091) 0.146 68.675 ( 0.211 0.088 0.146) 0.271 68.679 ( -0.121 0.034 -0.016) 0.127 70.264 ( 1.769 1.364 0.742) 2.354 70.286 ( -0.277 1.188 -0.106) 1.224 70.556 ( 1.947 3.631 0.051) 4.120 70.616 ( -3.632 3.066 -0.331) 4.765 70.815 ( 3.037 -3.877 0.517) 4.952 70.873 ( -2.484 -4.798 0.324) 5.412 ======================= Grid point 411 (82/105) ======================= q-point: ( 0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 5.291 5.291 11.744) 13.925 2.862 ( -3.124 -3.124 9.825) 10.773 3.018 ( 3.363 3.363 8.595) 9.823 3.037 ( 5.334 5.334 -8.937) 11.695 3.661 ( -9.699 -9.699 14.133) 19.694 3.723 ( -8.295 -8.295 3.496) 12.241 5.600 ( 5.721 5.721 -4.919) 9.468 5.656 ( 5.342 5.342 -6.909) 10.238 6.176 ( 2.183 2.183 2.705) 4.104 6.297 ( 2.985 2.985 -3.308) 5.363 6.371 ( -3.442 -3.442 4.970) 6.957 6.529 ( -4.789 -4.789 -2.675) 7.281 10.624 ( 2.402 2.402 0.131) 3.400 10.663 ( 1.052 1.052 -1.926) 2.434 10.960 ( 2.605 2.605 3.592) 5.146 11.061 ( -0.425 -0.425 2.399) 2.473 11.093 ( 2.167 2.167 -2.916) 4.230 11.114 ( 1.683 1.683 -0.429) 2.419 32.018 ( -0.866 -0.866 0.355) 1.275 32.020 ( -0.978 -0.978 0.250) 1.406 32.110 ( 0.163 0.163 0.298) 0.377 32.127 ( 0.140 0.140 -0.546) 0.580 32.147 ( -1.075 -1.075 0.370) 1.565 32.154 ( -0.729 -0.729 -0.043) 1.032 36.061 ( 0.017 0.017 0.216) 0.217 36.067 ( -0.129 -0.129 -0.014) 0.184 36.114 ( 0.057 0.057 -0.015) 0.082 36.118 ( -0.073 -0.073 -0.154) 0.185 68.674 ( 0.183 0.183 0.220) 0.339 68.680 ( -0.004 -0.004 -0.085) 0.086 70.260 ( 2.043 2.043 1.269) 3.156 70.300 ( 1.316 1.316 -0.654) 1.973 70.595 ( 1.105 1.105 1.919) 2.475 70.677 ( 1.785 1.785 -2.145) 3.313 70.756 ( -3.146 -3.146 2.243) 4.983 70.823 ( -2.489 -2.489 -1.178) 3.712 ======================= Grid point 412 (83/105) ======================= q-point: ( 0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 4.913 1.233 11.871) 12.906 2.796 ( -3.640 -1.398 11.536) 12.177 3.097 ( 4.294 1.034 3.621) 5.711 3.129 ( 2.490 2.090 -7.299) 7.990 3.510 ( -3.768 -12.114 13.695) 18.668 3.559 ( -7.310 -11.360 5.677) 14.653 5.700 ( 4.009 5.044 -4.347) 7.773 5.731 ( 1.417 4.290 -5.343) 6.997 6.155 ( 0.211 8.602 1.483) 8.732 6.228 ( -6.594 6.246 1.891) 9.277 6.427 ( 5.471 -5.533 -1.018) 7.848 6.496 ( -1.615 -7.209 -1.046) 7.462 10.657 ( 1.098 2.819 -0.352) 3.045 10.670 ( -0.238 2.350 -1.049) 2.585 11.007 ( 2.065 1.446 3.281) 4.137 11.041 ( -1.383 0.661 2.768) 3.164 11.133 ( 1.387 0.828 -2.292) 2.804 11.140 ( 0.679 0.882 -1.579) 1.932 32.006 ( -0.323 -1.049 0.323) 1.144 32.006 ( -0.385 -1.101 0.308) 1.206 32.115 ( 0.383 -0.075 0.305) 0.495 32.126 ( -0.727 -0.290 0.232) 0.816 32.134 ( 0.318 -0.415 -0.313) 0.610 32.143 ( -0.503 -0.690 -0.201) 0.877 36.062 ( 0.077 -0.069 0.171) 0.200 36.064 ( -0.132 -0.122 0.089) 0.201 36.115 ( 0.072 -0.004 -0.095) 0.120 36.117 ( -0.076 -0.048 -0.140) 0.166 68.677 ( 0.147 0.112 0.132) 0.227 68.680 ( -0.067 0.046 0.026) 0.086 70.298 ( 1.646 1.983 1.025) 2.774 70.316 ( 0.013 1.673 0.251) 1.692 70.611 ( 1.393 1.705 1.476) 2.650 70.661 ( -3.338 1.253 0.741) 3.642 70.745 ( 2.301 -2.810 -0.711) 3.701 70.788 ( -1.796 -3.412 -1.085) 4.006 ======================= Grid point 423 (84/105) ======================= q-point: ( 0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 1.690 1.690 11.771) 12.011 2.773 ( -1.179 -1.179 11.862) 11.979 3.136 ( 3.267 3.267 1.942) 5.011 3.176 ( 1.762 1.762 -9.737) 10.051 3.318 ( -5.686 -5.686 17.260) 19.041 3.365 ( -7.876 -7.876 6.702) 13.000 5.782 ( 2.847 2.847 -3.495) 5.332 5.795 ( 1.652 1.652 -3.958) 4.596 6.237 ( 0.811 0.811 4.060) 4.219 6.263 ( -1.752 -1.752 4.286) 4.951 6.393 ( 1.548 1.548 -3.768) 4.358 6.420 ( -1.150 -1.150 -3.582) 3.934 10.693 ( 0.958 0.958 -0.175) 1.366 10.697 ( 0.518 0.518 -0.412) 0.841 11.031 ( 0.945 0.945 3.261) 3.524 11.044 ( -0.298 -0.298 3.153) 3.181 11.152 ( 0.800 0.800 -2.714) 2.940 11.156 ( 0.496 0.496 -2.408) 2.508 31.991 ( -0.400 -0.400 0.336) 0.658 31.991 ( -0.413 -0.413 0.329) 0.670 32.114 ( 0.050 0.050 0.408) 0.414 32.118 ( -0.377 -0.377 0.417) 0.677 32.131 ( 0.056 0.056 -0.463) 0.470 32.135 ( -0.254 -0.254 -0.410) 0.545 36.061 ( -0.003 -0.003 0.164) 0.164 36.062 ( -0.080 -0.080 0.135) 0.176 36.115 ( 0.016 0.016 -0.144) 0.146 36.116 ( -0.036 -0.036 -0.158) 0.166 68.679 ( 0.074 0.074 0.109) 0.150 68.680 ( -0.001 -0.001 0.072) 0.072 70.334 ( 1.365 1.365 1.085) 2.215 70.342 ( 0.650 0.650 0.739) 1.180 70.626 ( 0.420 0.420 2.517) 2.586 70.649 ( -1.831 -1.831 2.512) 3.607 70.728 ( 0.696 0.696 -2.522) 2.708 70.746 ( -1.164 -1.164 -2.342) 2.862 ======================= Grid point 484 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 -25.971) 25.971 3.653 ( 0.000 0.000 25.971) 25.971 5.575 ( 0.000 -0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 -0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.917 ( -0.000 -0.000 -21.130) 21.130 6.917 ( -0.000 -0.000 21.130) 21.130 10.634 ( 0.000 0.000 -0.000) 0.000 10.634 ( 0.000 0.000 -0.000) 0.000 10.675 ( 0.000 0.000 -9.493) 9.493 10.675 ( -0.000 -0.000 9.493) 9.493 10.689 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 -0.000 0.000) 0.000 32.050 ( 0.000 -0.000 0.000) 0.000 32.050 ( 0.000 -0.000 0.000) 0.000 32.097 ( 0.000 0.000 0.000) 0.000 32.097 ( 0.000 -0.000 0.000) 0.000 32.319 ( 0.000 0.000 -1.361) 1.361 32.319 ( 0.000 0.000 1.361) 1.361 36.052 ( 0.000 0.000 -0.268) 0.268 36.052 ( 0.000 0.000 0.268) 0.268 36.126 ( 0.000 0.000 -0.500) 0.500 36.126 ( 0.000 0.000 0.500) 0.500 68.670 ( 0.000 0.000 -0.762) 0.762 68.670 ( 0.000 0.000 0.762) 0.762 70.112 ( 0.000 0.000 0.000) 0.000 70.112 ( 0.000 0.000 0.000) 0.000 70.442 ( -0.000 0.000 0.000) 0.000 70.442 ( 0.000 -0.000 0.000) 0.000 71.044 ( 0.000 0.000 -2.289) 2.289 71.044 ( 0.000 0.000 2.289) 2.289 ======================= Grid point 486 (86/105) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 14.029 0.000 0.000) 14.029 1.630 ( 23.513 0.000 0.000) 23.513 1.707 ( 11.267 0.000 -0.000) 11.267 1.841 ( 22.800 0.000 -0.000) 22.800 3.664 ( 1.284 0.000 0.000) 1.284 3.675 ( 2.393 0.000 -0.000) 2.393 5.545 ( -2.934 0.000 0.000) 2.934 5.595 ( 1.661 0.000 -0.000) 1.661 5.918 ( -12.518 0.000 0.000) 12.518 6.024 ( -4.473 0.000 0.000) 4.473 6.885 ( -2.817 0.000 0.000) 2.817 7.042 ( 9.920 0.000 -0.000) 9.920 10.560 ( -4.378 0.000 0.000) 4.378 10.592 ( -4.406 0.000 -0.000) 4.406 10.674 ( 3.898 0.000 -0.000) 3.898 10.723 ( 3.390 0.000 0.000) 3.390 10.754 ( 4.794 0.000 -0.000) 4.794 10.775 ( 4.620 0.000 0.000) 4.620 32.052 ( 0.169 0.000 0.000) 0.169 32.058 ( 0.757 0.000 -0.000) 0.757 32.097 ( -0.001 0.000 0.000) 0.001 32.100 ( 0.278 0.000 0.000) 0.278 32.304 ( -1.394 0.000 0.000) 1.394 32.316 ( -0.304 0.000 -0.000) 0.304 36.053 ( 0.116 0.000 -0.255) 0.280 36.053 ( 0.116 0.000 0.255) 0.280 36.123 ( -0.192 0.000 -0.000) 0.192 36.123 ( -0.182 0.000 0.000) 0.182 68.670 ( -0.005 0.000 -0.000) 0.005 68.670 ( 0.028 0.000 0.000) 0.028 70.116 ( 0.501 0.000 0.000) 0.501 70.119 ( 0.697 0.000 0.000) 0.697 70.436 ( -0.659 0.000 0.000) 0.659 70.463 ( 2.056 0.000 0.000) 2.056 71.008 ( -3.426 0.000 0.000) 3.426 71.072 ( 2.534 0.000 -0.000) 2.534 ======================= Grid point 488 (87/105) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 20.907 0.000 0.000) 20.907 1.999 ( 17.537 0.000 -0.000) 17.537 2.161 ( 27.755 0.000 0.000) 27.755 2.353 ( 26.277 0.000 -0.000) 26.277 3.718 ( 4.867 0.000 0.000) 4.867 3.758 ( 6.427 0.000 -0.000) 6.427 5.463 ( -5.328 0.000 0.000) 5.328 5.617 ( -0.002 0.000 0.000) 0.002 5.671 ( -11.351 0.000 0.000) 11.351 5.896 ( -8.437 0.000 0.000) 8.437 6.833 ( -1.907 0.000 0.000) 1.907 7.215 ( 6.442 0.000 -0.000) 6.442 10.480 ( -3.642 0.000 0.000) 3.642 10.511 ( -3.794 0.000 -0.000) 3.794 10.779 ( 6.607 0.000 -0.000) 6.607 10.816 ( 5.857 0.000 0.000) 5.857 10.845 ( 4.383 0.000 -0.000) 4.383 10.862 ( 4.128 0.000 0.000) 4.128 32.056 ( 0.314 0.000 0.000) 0.314 32.078 ( 1.294 0.000 -0.000) 1.294 32.097 ( -0.029 0.000 0.000) 0.029 32.105 ( 0.149 0.000 0.000) 0.149 32.267 ( -2.268 0.000 0.000) 2.268 32.306 ( -0.750 0.000 -0.000) 0.750 36.057 ( 0.191 0.000 0.000) 0.191 36.057 ( 0.196 0.000 -0.000) 0.196 36.120 ( -0.164 0.000 -0.000) 0.164 36.120 ( -0.161 0.000 0.000) 0.161 68.670 ( 0.048 0.000 -0.000) 0.048 68.672 ( 0.106 0.000 0.000) 0.106 70.136 ( 1.635 0.000 0.000) 1.635 70.139 ( 1.333 0.000 0.000) 1.333 70.417 ( -1.268 0.000 0.000) 1.268 70.516 ( 3.048 0.000 0.000) 3.048 70.926 ( -4.498 0.000 0.000) 4.498 71.125 ( 2.373 0.000 -0.000) 2.373 ======================= Grid point 490 (88/105) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 21.303 0.000 0.000) 21.303 2.360 ( 18.439 0.000 -0.000) 18.439 2.639 ( 19.685 0.000 0.000) 19.685 2.782 ( 16.087 0.000 -0.000) 16.087 3.883 ( 12.186 0.000 0.000) 12.186 3.940 ( 12.147 0.000 -0.000) 12.147 5.345 ( -6.358 0.000 0.000) 6.358 5.496 ( -6.279 0.000 0.000) 6.279 5.587 ( -2.897 0.000 -0.000) 2.897 5.701 ( -11.167 0.000 0.000) 11.167 6.821 ( 0.667 0.000 0.000) 0.667 7.273 ( -0.674 0.000 -0.000) 0.674 10.419 ( -2.598 0.000 0.000) 2.598 10.444 ( -2.946 0.000 -0.000) 2.946 10.920 ( 7.377 0.000 -0.000) 7.377 10.923 ( 3.491 0.000 -0.000) 3.491 10.934 ( 3.240 0.000 0.000) 3.240 10.942 ( 6.646 0.000 0.000) 6.646 32.064 ( 0.409 0.000 0.000) 0.409 32.095 ( -0.097 0.000 0.000) 0.097 32.106 ( -0.029 0.000 -0.000) 0.029 32.107 ( 1.602 0.000 0.000) 1.602 32.220 ( -2.466 0.000 0.000) 2.466 32.286 ( -1.295 0.000 -0.000) 1.295 36.061 ( 0.209 0.000 0.000) 0.209 36.061 ( 0.211 0.000 -0.000) 0.211 36.118 ( -0.021 0.000 -0.000) 0.021 36.118 ( -0.025 0.000 0.000) 0.025 68.672 ( 0.119 0.000 -0.000) 0.119 68.674 ( 0.148 0.000 0.000) 0.148 70.171 ( 1.852 0.000 0.000) 1.852 70.182 ( 3.008 0.000 0.000) 3.008 70.387 ( -1.781 0.000 0.000) 1.781 70.562 ( 0.804 0.000 0.000) 0.804 70.859 ( -1.478 0.000 0.000) 1.478 71.153 ( 0.226 0.000 -0.000) 0.226 ======================= Grid point 492 (89/105) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 16.316 0.000 0.000) 16.316 2.692 ( 14.624 0.000 -0.000) 14.624 2.918 ( 9.214 0.000 0.000) 9.214 2.986 ( 5.770 0.000 -0.000) 5.770 4.163 ( 14.594 0.000 0.000) 14.594 4.207 ( 13.523 0.000 -0.000) 13.523 5.231 ( -4.647 0.000 0.000) 4.647 5.419 ( -1.903 0.000 0.000) 1.903 5.474 ( -11.468 0.000 0.000) 11.468 5.516 ( -3.923 0.000 -0.000) 3.923 6.854 ( 2.674 0.000 0.000) 2.674 7.200 ( -6.170 0.000 -0.000) 6.170 10.379 ( -1.437 0.000 0.000) 1.437 10.396 ( -1.952 0.000 -0.000) 1.952 10.980 ( 2.271 0.000 -0.000) 2.271 10.987 ( 2.037 0.000 0.000) 2.037 11.053 ( 5.779 0.000 -0.000) 5.779 11.063 ( 5.279 0.000 0.000) 5.279 32.072 ( 0.440 0.000 0.000) 0.440 32.093 ( -0.199 0.000 0.000) 0.199 32.106 ( 0.144 0.000 0.000) 0.144 32.139 ( 1.539 0.000 0.000) 1.539 32.175 ( -1.862 0.000 0.000) 1.862 32.256 ( -1.734 0.000 0.000) 1.734 36.064 ( 0.161 0.000 0.000) 0.161 36.064 ( 0.157 0.000 -0.000) 0.157 36.118 ( 0.063 0.000 -0.000) 0.063 36.118 ( 0.057 0.000 0.000) 0.057 68.675 ( 0.141 0.000 -0.000) 0.141 68.677 ( 0.104 0.000 0.000) 0.104 70.211 ( 2.213 0.000 0.000) 2.213 70.253 ( 4.163 0.000 0.000) 4.163 70.348 ( -2.158 0.000 0.000) 2.158 70.530 ( -3.664 0.000 0.000) 3.664 70.884 ( 3.638 0.000 0.000) 3.638 71.132 ( -2.280 0.000 -0.000) 2.280 ======================= Grid point 494 (90/105) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 6.150 0.000 0.000) 6.150 2.902 ( 5.932 0.000 -0.000) 5.932 3.030 ( 2.823 0.000 0.000) 2.823 3.046 ( 0.965 0.000 -0.000) 0.965 4.388 ( 6.977 0.000 0.000) 6.977 4.405 ( 5.324 0.000 -0.000) 5.324 5.189 ( 0.921 0.000 0.000) 0.921 5.277 ( -7.842 0.000 0.000) 7.842 5.410 ( 0.801 0.000 0.000) 0.801 5.447 ( -2.857 0.000 -0.000) 2.857 6.930 ( 5.235 0.000 0.000) 5.235 7.059 ( -7.487 0.000 -0.000) 7.487 10.362 ( -0.264 0.000 0.000) 0.264 10.368 ( -0.873 0.000 -0.000) 0.873 11.011 ( 0.852 0.000 -0.000) 0.852 11.013 ( 0.630 0.000 0.000) 0.630 11.134 ( 2.231 0.000 -0.000) 2.231 11.136 ( 1.966 0.000 0.000) 1.966 32.081 ( 0.403 0.000 0.000) 0.403 32.088 ( -0.312 0.000 0.000) 0.312 32.114 ( 0.699 0.000 0.000) 0.699 32.134 ( -1.339 0.000 0.000) 1.339 32.181 ( 1.818 0.000 0.000) 1.818 32.219 ( -1.935 0.000 0.000) 1.935 36.067 ( 0.059 0.000 -0.034) 0.068 36.067 ( 0.059 0.000 0.034) 0.068 36.119 ( 0.036 0.000 -0.071) 0.079 36.119 ( 0.036 0.000 0.071) 0.079 68.677 ( 0.092 0.000 -0.000) 0.092 68.678 ( 0.005 0.000 0.000) 0.005 70.256 ( 2.387 0.000 0.000) 2.387 70.303 ( -2.367 0.000 0.000) 2.367 70.343 ( 4.895 0.000 0.000) 4.895 70.441 ( -5.019 0.000 0.000) 5.019 70.974 ( 5.005 0.000 0.000) 5.005 71.067 ( -4.203 0.000 -0.000) 4.203 ======================= Grid point 508 (91/105) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 11.046 11.046 -11.958) 19.673 1.667 ( 11.046 11.046 11.958) 19.673 1.993 ( 18.476 18.476 -9.724) 27.880 1.993 ( 18.476 18.476 9.724) 27.880 3.686 ( 1.857 1.857 -22.149) 22.304 3.686 ( 1.857 1.857 22.149) 22.304 5.538 ( -3.203 -3.203 -0.670) 4.578 5.538 ( -3.203 -3.203 0.670) 4.578 5.941 ( -2.538 -2.538 -0.327) 3.604 5.941 ( -2.538 -2.538 0.327) 3.604 6.980 ( 1.038 1.038 -19.110) 19.166 6.980 ( 1.038 1.038 19.110) 19.166 10.561 ( -1.748 -1.748 -6.750) 7.188 10.561 ( -1.748 -1.748 6.750) 7.188 10.698 ( 1.742 1.742 -5.060) 5.628 10.698 ( 1.742 1.742 5.060) 5.628 10.819 ( 3.852 3.852 -6.382) 8.391 10.819 ( 3.852 3.852 6.382) 8.391 32.058 ( 0.343 0.343 -0.335) 0.589 32.058 ( 0.343 0.343 0.335) 0.589 32.100 ( 0.111 0.111 -0.245) 0.291 32.100 ( 0.111 0.111 0.245) 0.291 32.302 ( -0.842 -0.842 -1.164) 1.665 32.302 ( -0.842 -0.842 1.164) 1.665 36.055 ( 0.106 0.106 -0.250) 0.291 36.055 ( 0.106 0.106 0.250) 0.291 36.122 ( -0.140 -0.140 -0.510) 0.547 36.122 ( -0.140 -0.140 0.510) 0.547 68.670 ( 0.004 0.004 -0.719) 0.719 68.670 ( 0.004 0.004 0.719) 0.719 70.123 ( 0.551 0.551 -0.445) 0.898 70.123 ( 0.551 0.551 0.445) 0.898 70.458 ( 0.782 0.782 -0.073) 1.108 70.458 ( 0.782 0.782 0.073) 1.108 71.036 ( -0.537 -0.537 -1.804) 1.958 71.036 ( -0.537 -0.537 1.804) 1.958 ======================= Grid point 510 (92/105) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 18.041 6.889 0.000) 19.312 1.984 ( 17.844 2.621 -0.000) 18.036 2.369 ( 21.039 15.974 0.000) 26.416 2.456 ( 22.843 9.742 -0.000) 24.834 3.742 ( 4.940 2.529 0.000) 5.550 3.770 ( 6.462 1.396 -0.000) 6.611 5.415 ( -6.280 -3.365 0.000) 7.124 5.497 ( -3.039 -8.453 0.000) 8.982 5.781 ( -8.599 9.296 -0.000) 12.663 5.977 ( 0.321 4.105 0.000) 4.117 6.848 ( -6.302 1.873 0.000) 6.575 7.129 ( 6.007 -8.481 -0.000) 10.393 10.500 ( -3.108 1.725 0.000) 3.555 10.522 ( -2.774 0.829 -0.000) 2.895 10.766 ( 5.601 -0.342 -0.000) 5.611 10.783 ( 5.417 -1.276 0.000) 5.565 10.896 ( 4.118 3.275 0.000) 5.261 10.898 ( 3.963 2.942 -0.000) 4.936 32.060 ( 0.169 0.367 -0.000) 0.404 32.075 ( 0.969 -0.282 -0.000) 1.009 32.100 ( 0.075 0.224 0.000) 0.236 32.104 ( 0.100 -0.101 -0.000) 0.142 32.265 ( -2.256 -0.271 0.000) 2.272 32.292 ( -0.708 -1.345 -0.000) 1.520 36.057 ( 0.180 0.082 -0.233) 0.305 36.057 ( 0.180 0.082 0.233) 0.305 36.119 ( -0.127 -0.054 -0.000) 0.138 36.119 ( -0.121 -0.062 0.000) 0.136 68.670 ( 0.038 0.004 -0.000) 0.038 68.671 ( 0.099 -0.028 0.000) 0.103 70.141 ( 1.520 0.504 -0.000) 1.602 70.142 ( 1.267 0.333 0.000) 1.310 70.440 ( -1.183 2.314 0.000) 2.599 70.514 ( 3.369 -0.277 0.000) 3.381 70.948 ( -4.942 2.068 0.000) 5.357 71.088 ( 2.427 -3.621 -0.000) 4.359 ======================= Grid point 512 (93/105) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 20.066 3.046 0.000) 20.296 2.344 ( 18.218 -0.087 -0.000) 18.218 2.739 ( 15.348 8.144 0.000) 17.375 2.819 ( 13.235 3.562 -0.000) 13.706 3.900 ( 11.139 1.742 0.000) 11.274 3.948 ( 11.429 0.822 -0.000) 11.458 5.315 ( -3.587 -1.572 0.000) 3.916 5.426 ( -3.906 -7.980 0.000) 8.885 5.616 ( -7.864 10.358 -0.000) 13.005 5.915 ( -6.800 12.959 0.000) 14.635 6.773 ( -1.010 -4.515 0.000) 4.627 7.189 ( -0.063 -8.276 -0.000) 8.276 10.445 ( -2.358 2.595 0.000) 3.506 10.468 ( -2.559 2.238 -0.000) 3.399 10.888 ( 6.137 -1.444 -0.000) 6.305 10.893 ( 5.326 -1.453 0.000) 5.521 10.975 ( 3.952 2.344 -0.000) 4.595 10.979 ( 4.393 2.242 0.000) 4.932 32.064 ( 0.240 0.051 -0.000) 0.245 32.088 ( 0.181 -0.619 0.000) 0.645 32.104 ( -0.035 -0.150 0.000) 0.154 32.110 ( 1.098 0.129 0.000) 1.106 32.218 ( -2.439 -0.227 0.000) 2.450 32.273 ( -1.211 -1.225 -0.000) 1.722 36.061 ( 0.194 0.055 0.000) 0.202 36.061 ( 0.197 0.052 -0.000) 0.204 36.118 ( -0.016 -0.018 -0.000) 0.024 36.118 ( -0.017 -0.021 0.000) 0.027 68.672 ( 0.113 -0.014 -0.000) 0.114 68.674 ( 0.148 -0.035 0.000) 0.153 70.172 ( 1.780 0.199 -0.000) 1.791 70.183 ( 2.749 0.199 0.000) 2.756 70.412 ( -1.590 2.522 0.000) 2.982 70.572 ( 1.699 0.758 0.000) 1.860 70.866 ( -2.587 0.736 0.000) 2.690 71.118 ( 0.418 -3.414 -0.000) 3.439 ======================= Grid point 514 (94/105) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 14.823 -1.109 0.000) 14.864 2.691 ( 16.098 1.560 -0.000) 16.174 2.956 ( 7.041 3.042 0.000) 7.670 2.984 ( 4.507 -0.041 -0.000) 4.508 4.138 ( 11.551 -2.488 0.000) 11.816 4.182 ( 11.020 -2.511 0.000) 11.302 5.281 ( 0.265 4.012 0.000) 4.021 5.357 ( -2.783 -3.776 0.000) 4.690 5.485 ( -5.219 7.333 0.000) 9.000 5.734 ( -10.632 13.743 0.000) 17.376 6.797 ( 3.032 -5.601 0.000) 6.369 7.133 ( -5.255 -6.699 -0.000) 8.514 10.409 ( -1.327 2.973 0.000) 3.256 10.425 ( -1.771 2.818 -0.000) 3.328 10.974 ( 2.861 -0.450 -0.000) 2.896 10.979 ( 2.907 -0.606 0.000) 2.970 11.061 ( 4.636 0.691 -0.000) 4.687 11.069 ( 4.436 0.545 0.000) 4.469 32.069 ( 0.247 -0.322 -0.000) 0.406 32.086 ( -0.225 -0.629 0.000) 0.668 32.105 ( 0.203 -0.083 -0.000) 0.219 32.137 ( 1.393 -0.266 0.000) 1.418 32.174 ( -1.844 -0.159 0.000) 1.851 32.245 ( -1.622 -1.033 0.000) 1.923 36.065 ( 0.149 0.026 0.000) 0.151 36.065 ( 0.146 0.025 -0.000) 0.148 36.118 ( 0.052 -0.029 -0.000) 0.059 36.118 ( 0.047 -0.029 0.000) 0.055 68.674 ( 0.140 -0.022 -0.000) 0.142 68.676 ( 0.108 -0.031 0.000) 0.112 70.210 ( 2.098 0.042 -0.000) 2.098 70.244 ( 3.143 -0.542 0.000) 3.189 70.383 ( -1.190 3.134 0.000) 3.352 70.555 ( -3.234 2.289 0.000) 3.962 70.872 ( 3.003 -1.205 0.000) 3.236 71.102 ( -2.029 -2.994 -0.000) 3.617 ======================= Grid point 516 (95/105) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 7.118 -0.463 0.000) 7.133 2.918 ( 5.923 1.552 -0.000) 6.123 3.029 ( 0.855 -1.595 0.000) 1.810 3.034 ( 1.276 0.384 -0.000) 1.332 4.307 ( 5.099 -7.531 0.000) 9.095 4.329 ( 3.181 -7.307 0.000) 7.969 5.317 ( 2.217 11.938 -0.000) 12.142 5.328 ( -0.162 4.182 0.000) 4.185 5.427 ( 0.478 1.830 0.000) 1.891 5.534 ( -8.960 9.061 0.000) 12.743 6.881 ( 5.460 -4.848 0.000) 7.302 7.006 ( -6.943 -5.179 -0.000) 8.662 10.394 ( -0.243 3.112 0.000) 3.122 10.399 ( -0.806 3.068 -0.000) 3.172 11.011 ( 0.933 -0.003 -0.000) 0.933 11.013 ( 0.736 -0.017 0.000) 0.736 11.132 ( 2.045 -0.257 -0.000) 2.061 11.134 ( 1.790 -0.257 0.000) 1.808 32.074 ( 0.296 -0.618 0.000) 0.685 32.081 ( -0.326 -0.693 0.000) 0.766 32.114 ( 0.720 -0.005 0.000) 0.720 32.134 ( -1.261 -0.066 0.000) 1.262 32.176 ( 1.656 -0.534 0.000) 1.740 32.211 ( -1.809 -0.800 0.000) 1.978 36.067 ( 0.054 0.007 -0.046) 0.071 36.067 ( 0.054 0.007 0.046) 0.071 36.119 ( 0.030 -0.047 -0.073) 0.092 36.119 ( 0.030 -0.047 0.073) 0.092 68.677 ( 0.092 -0.022 -0.000) 0.095 68.678 ( 0.008 -0.025 0.000) 0.026 70.252 ( 2.018 -0.282 0.000) 2.038 70.279 ( -0.234 -1.161 0.000) 1.185 70.392 ( 2.765 3.690 0.000) 4.611 70.472 ( -4.674 2.835 0.000) 5.466 70.954 ( 4.728 -2.011 0.000) 5.138 71.042 ( -3.950 -2.510 -0.000) 4.680 ======================= Grid point 532 (96/105) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 11.818 11.818 -11.992) 20.570 2.130 ( 11.818 11.818 11.992) 20.570 2.686 ( 13.480 13.480 -8.260) 20.776 2.686 ( 13.480 13.480 8.260) 20.776 3.825 ( 5.349 5.349 -11.926) 14.123 3.825 ( 5.349 5.349 11.926) 14.123 5.356 ( -3.850 -3.850 -0.905) 5.520 5.356 ( -3.850 -3.850 0.905) 5.520 5.981 ( 3.165 3.165 -1.316) 4.665 5.981 ( 3.165 3.165 1.316) 4.665 6.909 ( -4.574 -4.574 -14.043) 15.462 6.909 ( -4.574 -4.574 14.043) 15.462 10.528 ( 0.074 0.074 -5.154) 5.155 10.528 ( 0.074 0.074 5.154) 5.155 10.793 ( 2.972 2.972 -4.851) 6.418 10.793 ( 2.972 2.972 4.851) 6.418 10.960 ( 3.152 3.152 -4.139) 6.084 10.960 ( 3.152 3.152 4.139) 6.084 32.069 ( 0.092 0.092 -0.744) 0.755 32.069 ( 0.092 0.092 0.744) 0.755 32.103 ( 0.045 0.045 -0.739) 0.742 32.103 ( 0.045 0.045 0.739) 0.742 32.256 ( -1.392 -1.392 -0.714) 2.094 32.256 ( -1.392 -1.392 0.714) 2.094 36.060 ( 0.140 0.140 -0.258) 0.326 36.060 ( 0.140 0.140 0.258) 0.326 36.118 ( -0.056 -0.056 -0.424) 0.431 36.118 ( -0.056 -0.056 0.424) 0.431 68.671 ( 0.046 0.046 -0.586) 0.590 68.671 ( 0.046 0.046 0.586) 0.590 70.156 ( 1.170 1.170 -1.220) 2.056 70.156 ( 1.170 1.170 1.220) 2.056 70.503 ( 1.480 1.480 -0.456) 2.143 70.503 ( 1.480 1.480 0.456) 2.143 70.994 ( -1.626 -1.626 -1.155) 2.574 70.994 ( -1.626 -1.626 1.155) 2.574 ======================= Grid point 534 (97/105) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 14.354 5.348 0.000) 15.318 2.412 ( 16.123 5.686 -0.000) 17.096 2.894 ( 8.368 6.697 0.000) 10.718 2.905 ( 7.394 4.660 -0.000) 8.739 3.947 ( 7.108 2.736 -0.000) 7.617 3.972 ( 8.126 1.491 0.000) 8.262 5.304 ( 0.082 0.582 0.000) 0.588 5.325 ( -0.565 -2.174 0.000) 2.246 5.858 ( -7.869 13.511 0.000) 15.635 6.117 ( 1.769 5.933 0.000) 6.191 6.681 ( -8.010 -3.383 0.000) 8.695 6.966 ( 1.344 -13.855 -0.000) 13.920 10.509 ( -1.223 3.416 0.000) 3.628 10.521 ( -1.014 2.768 -0.000) 2.948 10.878 ( 5.289 0.649 -0.000) 5.329 10.881 ( 5.081 0.459 0.000) 5.101 11.019 ( 2.866 2.091 -0.000) 3.547 11.021 ( 3.045 1.987 0.000) 3.636 32.064 ( -0.282 -0.173 -0.000) 0.331 32.074 ( -0.050 -0.818 -0.000) 0.819 32.102 ( 0.006 0.067 0.000) 0.067 32.110 ( 0.754 -0.075 -0.000) 0.758 32.211 ( -2.330 -0.454 0.000) 2.373 32.241 ( -0.995 -1.986 0.000) 2.222 36.063 ( 0.149 0.081 -0.254) 0.305 36.063 ( 0.149 0.081 0.254) 0.305 36.117 ( -0.012 -0.026 -0.000) 0.029 36.117 ( -0.009 -0.033 0.000) 0.034 68.672 ( 0.093 0.052 -0.000) 0.106 68.673 ( 0.143 -0.006 0.000) 0.143 70.183 ( 1.595 1.024 -0.000) 1.896 70.192 ( 2.299 0.734 0.000) 2.413 70.480 ( -1.308 4.186 0.000) 4.385 70.581 ( 3.512 -0.053 0.000) 3.513 70.887 ( -4.805 1.287 0.000) 4.974 71.027 ( 0.762 -5.623 -0.000) 5.674 ======================= Grid point 536 (98/105) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 13.300 1.075 0.000) 13.344 2.726 ( 14.841 1.899 -0.000) 14.962 2.990 ( 1.868 0.720 0.000) 2.002 3.011 ( 3.672 2.155 -0.000) 4.258 4.067 ( 4.367 -4.828 -0.000) 6.510 4.105 ( 4.533 -5.408 0.000) 7.057 5.343 ( 2.611 2.221 -0.000) 3.428 5.361 ( 5.508 4.214 0.000) 6.935 5.704 ( -7.325 13.917 0.000) 15.727 6.010 ( -10.949 13.573 0.000) 17.439 6.650 ( 3.505 -8.905 0.000) 9.570 6.950 ( -2.838 -11.393 -0.000) 11.742 10.487 ( -0.872 4.648 0.000) 4.729 10.498 ( -1.114 4.347 -0.000) 4.487 10.969 ( 3.487 0.131 -0.000) 3.490 10.972 ( 3.664 0.065 0.000) 3.664 11.075 ( 2.962 0.678 -0.000) 3.039 11.081 ( 2.975 0.567 0.000) 3.029 32.059 ( -0.213 -0.757 -0.000) 0.787 32.069 ( -0.369 -1.117 0.000) 1.177 32.105 ( 0.284 0.106 -0.000) 0.303 32.130 ( 1.108 -0.406 0.000) 1.180 32.169 ( -1.788 -0.296 0.000) 1.812 32.218 ( -1.326 -1.673 0.000) 2.135 36.065 ( 0.108 0.021 0.000) 0.110 36.065 ( 0.107 0.018 -0.000) 0.108 36.117 ( 0.024 -0.048 -0.000) 0.053 36.117 ( 0.022 -0.050 0.000) 0.055 68.674 ( 0.130 0.029 -0.000) 0.133 68.676 ( 0.115 -0.008 0.000) 0.115 70.218 ( 1.882 0.812 -0.000) 2.049 70.241 ( 2.353 0.266 0.000) 2.368 70.459 ( -0.581 4.419 0.000) 4.457 70.607 ( -1.604 2.549 0.000) 3.011 70.841 ( 0.869 -1.787 0.000) 1.987 71.020 ( -1.434 -5.135 -0.000) 5.332 ======================= Grid point 538 (99/105) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 8.063 -0.409 0.000) 8.073 2.952 ( 6.275 1.573 -0.000) 6.469 2.994 ( -0.390 -1.673 -0.000) 1.718 3.042 ( -0.642 0.336 0.000) 0.724 4.119 ( 1.566 -11.153 -0.000) 11.262 4.141 ( -0.361 -11.320 0.000) 11.326 5.421 ( 4.823 5.291 -0.000) 7.159 5.480 ( 2.824 3.694 0.000) 4.650 5.608 ( 0.885 16.231 0.000) 16.255 5.774 ( -11.842 14.054 0.000) 18.378 6.750 ( 5.916 -8.122 0.000) 10.049 6.865 ( -5.461 -8.850 -0.000) 10.399 10.477 ( -0.156 5.062 0.000) 5.065 10.481 ( -0.580 4.973 -0.000) 5.006 11.013 ( 1.086 0.366 -0.000) 1.146 11.015 ( 0.929 0.358 0.000) 0.996 11.125 ( 1.584 -0.438 -0.000) 1.644 11.127 ( 1.353 -0.441 0.000) 1.423 32.057 ( 0.072 -1.123 0.000) 1.125 32.061 ( -0.346 -1.237 0.000) 1.284 32.114 ( 0.693 0.066 -0.000) 0.696 32.132 ( -1.037 -0.087 0.000) 1.041 32.162 ( 1.215 -0.843 0.000) 1.478 32.190 ( -1.473 -1.286 0.000) 1.956 36.067 ( 0.038 -0.021 -0.069) 0.082 36.067 ( 0.038 -0.021 0.069) 0.082 36.118 ( 0.015 -0.075 -0.075) 0.107 36.118 ( 0.015 -0.075 0.075) 0.107 68.677 ( 0.086 0.014 -0.000) 0.087 68.677 ( 0.016 0.001 0.000) 0.016 70.253 ( 1.557 0.531 -0.000) 1.645 70.269 ( 0.231 0.117 0.000) 0.258 70.472 ( 2.232 4.356 0.000) 4.894 70.540 ( -4.143 3.806 0.000) 5.626 70.898 ( 3.955 -3.545 0.000) 5.312 70.973 ( -3.293 -4.394 -0.000) 5.490 ======================= Grid point 556 (100/105) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 9.137 9.137 -11.359) 17.205 2.549 ( 9.137 9.137 11.359) 17.205 2.986 ( 3.021 3.021 -2.063) 4.744 2.986 ( 3.021 3.021 2.063) 4.744 3.989 ( 0.314 0.314 -3.567) 3.594 3.989 ( 0.314 0.314 3.567) 3.594 5.342 ( 3.535 3.535 -0.930) 5.085 5.342 ( 3.535 3.535 0.930) 5.085 6.115 ( 3.292 3.292 -1.837) 5.005 6.115 ( 3.292 3.292 1.837) 5.005 6.675 ( -6.408 -6.408 -7.574) 11.810 6.675 ( -6.408 -6.408 7.574) 11.810 10.562 ( 1.563 1.563 -2.870) 3.622 10.562 ( 1.563 1.563 2.870) 3.622 10.918 ( 3.189 3.189 -4.148) 6.127 10.918 ( 3.189 3.189 4.148) 6.127 11.056 ( 1.714 1.714 -1.251) 2.728 11.056 ( 1.714 1.714 1.251) 2.728 32.057 ( -0.709 -0.709 -0.343) 1.060 32.057 ( -0.709 -0.709 0.343) 1.060 32.108 ( 0.239 0.239 -0.604) 0.692 32.108 ( 0.239 0.239 0.604) 0.692 32.199 ( -1.405 -1.405 -0.212) 1.999 32.199 ( -1.405 -1.405 0.212) 1.999 36.064 ( 0.072 0.072 -0.274) 0.292 36.064 ( 0.072 0.072 0.274) 0.292 36.117 ( -0.023 -0.023 -0.285) 0.287 36.117 ( -0.023 -0.023 0.285) 0.287 68.674 ( 0.096 0.096 -0.381) 0.404 68.674 ( 0.096 0.096 0.381) 0.404 70.213 ( 1.662 1.662 -1.512) 2.794 70.213 ( 1.662 1.662 1.512) 2.794 70.569 ( 1.786 1.786 -1.186) 2.790 70.569 ( 1.786 1.786 1.186) 2.790 70.909 ( -2.670 -2.670 -1.068) 3.924 70.909 ( -2.670 -2.670 1.068) 3.924 ======================= Grid point 558 (101/105) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 9.264 4.290 0.000) 10.209 2.768 ( 11.435 2.584 -0.000) 11.723 3.008 ( -0.129 0.968 -0.000) 0.976 3.034 ( 1.524 0.224 0.000) 1.540 3.949 ( -3.456 -7.086 -0.000) 7.884 3.970 ( -2.832 -8.213 0.000) 8.688 5.431 ( 5.432 6.192 -0.000) 8.237 5.454 ( 6.964 5.342 0.000) 8.777 5.988 ( -6.319 14.148 0.000) 15.495 6.231 ( -4.498 7.528 0.000) 8.770 6.480 ( -0.138 -6.876 0.000) 6.877 6.706 ( 0.284 -13.031 -0.000) 13.034 10.576 ( 0.243 4.011 0.000) 4.018 10.581 ( 0.260 3.686 -0.000) 3.695 10.986 ( 3.191 1.651 -0.000) 3.593 10.988 ( 3.327 1.626 0.000) 3.703 11.087 ( 1.556 0.521 0.000) 1.641 11.090 ( 1.667 0.399 -0.000) 1.714 32.041 ( -0.659 -0.988 -0.000) 1.187 32.045 ( -0.614 -1.264 0.000) 1.405 32.109 ( 0.180 0.332 -0.000) 0.378 32.122 ( 0.805 -0.343 0.000) 0.875 32.162 ( -1.644 -0.440 0.000) 1.701 32.183 ( -0.939 -1.748 0.000) 1.984 36.065 ( 0.040 -0.012 -0.212) 0.216 36.065 ( 0.040 -0.012 0.212) 0.216 36.116 ( -0.008 -0.051 -0.192) 0.199 36.116 ( -0.008 -0.051 0.192) 0.199 68.676 ( 0.106 0.101 -0.000) 0.146 68.676 ( 0.117 0.053 0.000) 0.128 70.243 ( 1.688 1.783 -0.000) 2.456 70.255 ( 2.095 1.161 0.000) 2.395 70.549 ( -0.642 4.675 0.000) 4.719 70.641 ( 1.707 0.659 0.000) 1.830 70.810 ( -2.915 -1.160 0.000) 3.137 70.909 ( -0.818 -6.002 -0.000) 6.058 ======================= Grid point 560 (102/105) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 6.866 0.750 0.000) 6.907 2.957 ( 5.789 -0.704 -0.000) 5.831 2.986 ( -1.187 0.616 -0.000) 1.337 3.041 ( -1.137 -0.510 0.000) 1.246 3.885 ( -1.951 -12.330 -0.000) 12.484 3.900 ( -3.225 -12.802 0.000) 13.202 5.536 ( 4.585 6.278 -0.000) 7.774 5.566 ( 2.674 5.022 0.000) 5.690 5.920 ( 1.041 14.875 0.000) 14.911 6.043 ( -10.039 12.612 0.000) 16.120 6.579 ( 6.104 -8.942 0.000) 10.827 6.675 ( -3.389 -10.143 -0.000) 10.694 10.578 ( 0.080 4.885 0.000) 4.886 10.580 ( -0.135 4.778 -0.000) 4.780 11.029 ( 1.100 1.287 -0.000) 1.694 11.030 ( 0.963 1.286 0.000) 1.607 11.115 ( 1.037 -0.476 0.000) 1.141 11.117 ( 0.849 -0.495 -0.000) 0.983 32.033 ( -0.161 -1.291 0.000) 1.301 32.035 ( -0.353 -1.398 0.000) 1.442 32.116 ( 0.546 0.125 -0.000) 0.560 32.130 ( -0.640 -0.134 0.000) 0.654 32.145 ( 0.569 -0.818 0.000) 0.996 32.164 ( -1.033 -1.317 0.000) 1.674 36.066 ( 0.011 -0.067 -0.079) 0.105 36.066 ( 0.011 -0.067 0.079) 0.105 36.116 ( -0.000 -0.075 -0.068) 0.101 36.116 ( -0.000 -0.075 0.068) 0.101 68.677 ( 0.067 0.076 -0.000) 0.102 68.678 ( 0.030 0.058 0.000) 0.065 70.274 ( 1.245 1.596 -0.000) 2.024 70.283 ( 0.512 1.274 0.000) 1.373 70.557 ( 1.665 4.139 0.000) 4.462 70.612 ( -3.358 3.325 0.000) 4.726 70.821 ( 2.775 -4.217 0.000) 5.048 70.876 ( -2.436 -5.257 -0.000) 5.793 ======================= Grid point 580 (103/105) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 5.342 5.342 -11.354) 13.638 2.834 ( 5.342 5.342 11.354) 13.638 3.024 ( -0.319 -0.319 -6.037) 6.054 3.024 ( -0.319 -0.319 6.037) 6.054 3.796 ( -8.568 -8.568 -0.328) 12.122 3.796 ( -8.568 -8.568 0.328) 12.122 5.565 ( 6.225 6.225 -1.737) 8.973 5.565 ( 6.225 6.225 1.737) 8.973 6.233 ( 2.724 2.724 -2.520) 4.603 6.233 ( 2.724 2.724 2.520) 4.603 6.460 ( -4.247 -4.247 -3.749) 7.080 6.460 ( -4.247 -4.247 3.749) 7.080 10.635 ( 1.883 1.883 -1.026) 2.853 10.635 ( 1.883 1.883 1.026) 2.853 11.030 ( 2.370 2.370 -3.552) 4.883 11.030 ( 2.370 2.370 3.552) 4.883 11.097 ( 0.463 0.463 -1.377) 1.524 11.097 ( 0.463 0.463 1.377) 1.524 32.022 ( -0.912 -0.912 -0.050) 1.291 32.022 ( -0.912 -0.912 0.050) 1.291 32.117 ( 0.191 0.191 -0.469) 0.542 32.117 ( 0.191 0.191 0.469) 0.542 32.152 ( -0.960 -0.960 -0.134) 1.365 32.152 ( -0.960 -0.960 0.134) 1.365 36.065 ( -0.033 -0.033 -0.166) 0.173 36.065 ( -0.033 -0.033 0.166) 0.173 36.115 ( -0.036 -0.036 -0.133) 0.142 36.115 ( -0.036 -0.036 0.133) 0.142 68.678 ( 0.097 0.097 -0.162) 0.212 68.678 ( 0.097 0.097 0.162) 0.212 70.283 ( 1.867 1.867 -1.094) 2.858 70.283 ( 1.867 1.867 1.094) 2.858 70.635 ( 1.476 1.476 -2.078) 2.946 70.635 ( 1.476 1.476 2.078) 2.946 70.795 ( -2.947 -2.947 -1.642) 4.480 70.795 ( -2.947 -2.947 1.642) 4.480 ======================= Grid point 582 (104/105) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 4.154 2.363 0.000) 4.779 2.954 ( 4.134 0.438 -0.000) 4.157 2.994 ( -1.281 0.186 -0.000) 1.295 3.023 ( -0.958 -1.296 0.000) 1.612 3.653 ( -4.329 -10.714 0.000) 11.556 3.659 ( -4.684 -11.186 0.000) 12.127 5.658 ( 3.338 5.863 -0.000) 6.747 5.668 ( 2.785 5.032 0.000) 5.751 6.171 ( -0.101 10.314 0.000) 10.315 6.247 ( -7.092 7.781 0.000) 10.528 6.417 ( 5.476 -7.102 0.000) 8.968 6.484 ( -1.024 -8.894 0.000) 8.952 10.656 ( 0.496 2.902 0.000) 2.944 10.657 ( 0.453 2.843 -0.000) 2.878 11.063 ( 0.871 1.982 -0.000) 2.165 11.064 ( 0.789 1.943 0.000) 2.097 11.107 ( 0.536 -0.341 0.000) 0.635 11.108 ( 0.443 -0.393 -0.000) 0.593 32.009 ( -0.332 -1.034 0.000) 1.086 32.010 ( -0.370 -1.087 0.000) 1.148 32.119 ( 0.287 0.160 -0.000) 0.328 32.126 ( 0.120 -0.252 0.000) 0.279 32.132 ( -0.353 -0.454 0.000) 0.575 32.141 ( -0.598 -0.976 0.000) 1.145 36.064 ( -0.018 -0.080 -0.062) 0.103 36.064 ( -0.018 -0.080 0.062) 0.103 36.115 ( -0.012 -0.053 -0.047) 0.072 36.115 ( -0.012 -0.053 0.047) 0.072 68.679 ( 0.047 0.093 -0.000) 0.104 68.679 ( 0.039 0.082 0.000) 0.091 70.312 ( 1.056 2.124 -0.000) 2.372 70.315 ( 0.852 1.862 0.000) 2.048 70.630 ( 0.722 3.156 0.000) 3.237 70.664 ( -1.779 1.849 -0.000) 2.566 70.741 ( 0.950 -3.551 0.000) 3.676 70.775 ( -1.516 -4.833 -0.000) 5.065 ======================= Grid point 604 (105/105) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.64e-04 1.64e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 1.709 1.709 -11.502) 11.753 2.971 ( 1.709 1.709 11.502) 11.753 2.996 ( -0.739 -0.739 -10.926) 10.976 2.996 ( -0.739 -0.739 10.926) 10.976 3.492 ( -4.900 -4.900 -0.003) 6.929 3.492 ( -4.900 -4.900 0.003) 6.929 5.748 ( 2.585 2.585 -0.399) 3.677 5.748 ( 2.585 2.585 0.399) 3.677 6.317 ( 1.245 1.245 -4.050) 4.416 6.317 ( 1.245 1.245 4.050) 4.416 6.345 ( -1.582 -1.582 -4.068) 4.643 6.345 ( -1.582 -1.582 4.068) 4.643 10.692 ( 0.842 0.842 -0.108) 1.196 10.692 ( 0.842 0.842 0.108) 1.196 11.095 ( 0.865 0.865 -3.241) 3.464 11.095 ( 0.865 0.865 3.241) 3.464 11.103 ( -0.007 -0.007 -2.983) 2.983 11.103 ( -0.007 -0.007 2.983) 2.983 31.995 ( -0.402 -0.402 -0.003) 0.569 31.995 ( -0.402 -0.402 0.003) 0.569 32.122 ( 0.064 0.064 -0.469) 0.477 32.122 ( 0.064 0.064 0.469) 0.477 32.126 ( -0.336 -0.336 -0.435) 0.644 32.126 ( -0.336 -0.336 0.435) 0.644 36.063 ( -0.036 -0.036 -0.023) 0.056 36.063 ( -0.036 -0.036 0.023) 0.056 36.114 ( -0.019 -0.019 -0.017) 0.032 36.114 ( -0.019 -0.019 0.017) 0.032 68.681 ( 0.040 0.040 -0.020) 0.059 68.681 ( 0.040 0.040 0.020) 0.059 70.347 ( 1.102 1.102 -0.219) 1.574 70.347 ( 1.102 1.102 0.219) 1.574 70.677 ( 0.575 0.575 -2.709) 2.828 70.677 ( 0.575 0.575 2.709) 2.828 70.699 ( -1.569 -1.569 -2.575) 3.399 70.699 ( -1.569 -1.569 2.575) 3.399 =================== 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 3/34848 10.0 746.717 746.717 759.710 0.000 -0.000 0.000 3/34848 20.0 229.910 229.910 154.991 0.000 0.000 0.000 3/34848 30.0 108.189 108.189 78.282 0.000 0.000 0.000 3/34848 40.0 64.602 64.602 49.163 0.000 0.000 0.000 3/34848 50.0 43.182 43.182 33.784 0.000 0.000 0.000 3/34848 60.0 31.352 31.352 24.949 0.000 0.000 0.000 3/34848 70.0 24.225 24.225 19.506 0.000 0.000 0.000 3/34848 80.0 19.603 19.603 15.924 0.000 0.000 0.000 3/34848 90.0 16.419 16.419 13.429 0.000 0.000 0.000 3/34848 100.0 14.116 14.116 11.609 0.000 0.000 0.000 3/34848 110.0 12.382 12.382 10.228 0.000 0.000 0.000 3/34848 120.0 11.035 11.035 9.149 0.000 0.000 0.000 3/34848 130.0 9.959 9.959 8.282 0.000 0.000 0.000 3/34848 140.0 9.081 9.081 7.571 0.000 0.000 0.000 3/34848 150.0 8.350 8.350 6.977 0.000 0.000 0.000 3/34848 160.0 7.733 7.733 6.473 0.000 0.000 0.000 3/34848 170.0 7.204 7.204 6.040 0.000 0.000 0.000 3/34848 180.0 6.746 6.746 5.664 0.000 0.000 0.000 3/34848 190.0 6.345 6.345 5.334 0.000 0.000 0.000 3/34848 200.0 5.991 5.991 5.041 0.000 0.000 0.000 3/34848 210.0 5.676 5.676 4.781 0.000 0.000 0.000 3/34848 220.0 5.394 5.394 4.546 0.000 0.000 0.000 3/34848 230.0 5.139 5.139 4.335 0.000 0.000 0.000 3/34848 240.0 4.908 4.908 4.143 0.000 0.000 0.000 3/34848 250.0 4.698 4.698 3.968 0.000 0.000 0.000 3/34848 260.0 4.505 4.505 3.807 0.000 0.000 0.000 3/34848 270.0 4.329 4.329 3.659 0.000 0.000 0.000 3/34848 280.0 4.165 4.165 3.523 0.000 0.000 0.000 3/34848 290.0 4.015 4.015 3.397 0.000 0.000 0.000 3/34848 300.0 3.874 3.874 3.279 0.000 0.000 0.000 3/34848 310.0 3.744 3.744 3.170 0.000 0.000 0.000 3/34848 320.0 3.622 3.622 3.068 0.000 0.000 0.000 3/34848 330.0 3.509 3.509 2.972 0.000 0.000 0.000 3/34848 340.0 3.402 3.402 2.882 0.000 0.000 0.000 3/34848 350.0 3.301 3.301 2.798 0.000 0.000 0.000 3/34848 360.0 3.207 3.207 2.719 0.000 0.000 0.000 3/34848 370.0 3.118 3.118 2.644 0.000 0.000 0.000 3/34848 380.0 3.034 3.034 2.573 0.000 0.000 0.000 3/34848 390.0 2.954 2.954 2.506 0.000 0.000 0.000 3/34848 400.0 2.879 2.879 2.442 0.000 0.000 0.000 3/34848 410.0 2.807 2.807 2.381 0.000 0.000 0.000 3/34848 420.0 2.739 2.739 2.324 0.000 0.000 0.000 3/34848 430.0 2.674 2.674 2.269 0.000 0.000 0.000 3/34848 440.0 2.612 2.612 2.217 0.000 0.000 0.000 3/34848 450.0 2.553 2.553 2.167 0.000 0.000 0.000 3/34848 460.0 2.497 2.497 2.119 0.000 0.000 0.000 3/34848 470.0 2.443 2.443 2.074 0.000 0.000 0.000 3/34848 480.0 2.391 2.391 2.030 0.000 0.000 0.000 3/34848 490.0 2.342 2.342 1.988 0.000 0.000 0.000 3/34848 500.0 2.294 2.294 1.948 0.000 0.000 0.000 3/34848 510.0 2.249 2.249 1.910 0.000 0.000 0.000 3/34848 520.0 2.205 2.205 1.873 0.000 0.000 0.000 3/34848 530.0 2.163 2.163 1.837 0.000 0.000 0.000 3/34848 540.0 2.123 2.123 1.803 0.000 0.000 0.000 3/34848 550.0 2.084 2.084 1.770 0.000 0.000 0.000 3/34848 560.0 2.046 2.046 1.738 0.000 0.000 0.000 3/34848 570.0 2.010 2.010 1.708 0.000 0.000 0.000 3/34848 580.0 1.975 1.975 1.678 0.000 0.000 0.000 3/34848 590.0 1.942 1.942 1.650 0.000 0.000 0.000 3/34848 600.0 1.909 1.909 1.622 0.000 0.000 0.000 3/34848 610.0 1.878 1.878 1.595 0.000 0.000 0.000 3/34848 620.0 1.847 1.847 1.569 0.000 0.000 0.000 3/34848 630.0 1.818 1.818 1.544 0.000 0.000 0.000 3/34848 640.0 1.789 1.789 1.520 0.000 0.000 0.000 3/34848 650.0 1.762 1.762 1.497 0.000 0.000 0.000 3/34848 660.0 1.735 1.735 1.474 0.000 0.000 0.000 3/34848 670.0 1.709 1.709 1.452 0.000 0.000 0.000 3/34848 680.0 1.684 1.684 1.431 0.000 0.000 0.000 3/34848 690.0 1.659 1.659 1.410 0.000 0.000 0.000 3/34848 700.0 1.636 1.636 1.390 0.000 0.000 0.000 3/34848 710.0 1.612 1.612 1.370 0.000 0.000 0.000 3/34848 720.0 1.590 1.590 1.351 0.000 0.000 0.000 3/34848 730.0 1.568 1.568 1.333 0.000 0.000 0.000 3/34848 740.0 1.547 1.547 1.315 0.000 0.000 0.000 3/34848 750.0 1.526 1.526 1.297 0.000 0.000 0.000 3/34848 760.0 1.506 1.506 1.280 0.000 0.000 0.000 3/34848 770.0 1.487 1.487 1.263 0.000 0.000 0.000 3/34848 780.0 1.468 1.468 1.247 0.000 0.000 0.000 3/34848 790.0 1.449 1.449 1.231 0.000 0.000 0.000 3/34848 800.0 1.431 1.431 1.216 0.000 0.000 0.000 3/34848 810.0 1.413 1.413 1.201 0.000 0.000 0.000 3/34848 820.0 1.396 1.396 1.186 0.000 0.000 0.000 3/34848 830.0 1.380 1.380 1.172 0.000 0.000 0.000 3/34848 840.0 1.363 1.363 1.158 0.000 0.000 0.000 3/34848 850.0 1.347 1.347 1.145 0.000 0.000 0.000 3/34848 860.0 1.332 1.332 1.131 0.000 0.000 0.000 3/34848 870.0 1.316 1.316 1.118 0.000 0.000 0.000 3/34848 880.0 1.301 1.301 1.106 0.000 0.000 0.000 3/34848 890.0 1.287 1.287 1.093 0.000 0.000 0.000 3/34848 900.0 1.273 1.273 1.081 0.000 0.000 0.000 3/34848 910.0 1.259 1.259 1.069 0.000 0.000 0.000 3/34848 920.0 1.245 1.245 1.058 0.000 0.000 0.000 3/34848 930.0 1.232 1.232 1.046 0.000 0.000 0.000 3/34848 940.0 1.219 1.219 1.035 0.000 0.000 0.000 3/34848 950.0 1.206 1.206 1.024 0.000 0.000 0.000 3/34848 960.0 1.193 1.193 1.014 0.000 0.000 0.000 3/34848 970.0 1.181 1.181 1.003 0.000 0.000 0.000 3/34848 980.0 1.169 1.169 0.993 0.000 0.000 0.000 3/34848 990.0 1.157 1.157 0.983 0.000 0.000 0.000 3/34848 1000.0 1.146 1.146 0.973 0.000 0.000 0.000 3/34848 Thermal conductivity related properties were written into "kappa-m11118.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|