----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.632026219999999 5.209797665000000 2.954112180000000 b 2.632026219999999 -5.209797665000000 2.954112180000000 c 2.632026219999999 5.209797665000000 -2.954112180000000 Atomic positions (fractional): *1 Na 0.01231066446190 0.25000000000000 0.76231066446190 22.990 *2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 4 Na 0.51231066446190 0.75000000000000 0.76231066446190 22.990 5 Na 0.98768933553810 0.75000000000000 0.23768933553810 22.990 6 Na 0.48768933553810 0.25000000000000 0.23768933553810 22.990 *7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 *9 O 0.62527150013226 0.24900386953177 0.87427536966403 15.999 10 O 0.12527150013226 0.25099613046823 0.37626763060050 15.999 11 O 0.87472849986774 0.74900386953177 0.62373236939950 15.999 12 O 0.37472849986774 0.75099613046823 0.12572463033597 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.264052439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.419595330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.908224360000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.76231066446190 0.25000000000000 22.990 > 1 *2 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 2 3 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 3 4 Na 0.00000000000000 0.76231066446190 0.75000000000000 22.990 > 4 5 Na 0.50000000000000 0.73768933553810 0.25000000000000 22.990 > 5 6 Na 0.50000000000000 0.73768933553810 0.75000000000000 22.990 > 6 7 Na 0.50000000000000 0.26231066446190 0.75000000000000 22.990 > 1 8 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 2 9 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 3 10 Na 0.50000000000000 0.26231066446190 0.25000000000000 22.990 > 4 11 Na 0.00000000000000 0.23768933553810 0.75000000000000 22.990 > 5 12 Na 0.00000000000000 0.23768933553810 0.25000000000000 22.990 > 6 *13 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 7 14 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 8 15 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 7 16 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 8 *17 O 0.24900386953177 0.62527150013226 0.00000000000000 15.999 > 9 18 O 0.75099613046823 0.62527150013226 0.50000000000000 15.999 > 10 19 O 0.74900386953177 0.87472849986774 0.00000000000000 15.999 > 11 20 O 0.25099613046823 0.87472849986774 0.50000000000000 15.999 > 12 21 O 0.74900386953177 0.12527150013226 0.50000000000000 15.999 > 9 22 O 0.25099613046823 0.12527150013226 0.00000000000000 15.999 > 10 23 O 0.24900386953177 0.37472849986774 0.50000000000000 15.999 > 11 24 O 0.75099613046823 0.37472849986774 0.00000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.528104879999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.419595330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.816448720000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.76231066446190 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.76231066446190 0.12500000000000 22.990 > 1 3 Na 0.00000000000000 0.76231066446190 0.62500000000000 22.990 > 1 4 Na 0.50000000000000 0.76231066446190 0.62500000000000 22.990 > 1 *5 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 2 6 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 2 7 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 2 8 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 2 9 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 3 10 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 3 11 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 3 12 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 3 13 Na 0.00000000000000 0.76231066446190 0.37500000000000 22.990 > 4 14 Na 0.50000000000000 0.76231066446190 0.37500000000000 22.990 > 4 15 Na 0.00000000000000 0.76231066446190 0.87500000000000 22.990 > 4 16 Na 0.50000000000000 0.76231066446190 0.87500000000000 22.990 > 4 17 Na 0.25000000000000 0.73768933553810 0.12500000000000 22.990 > 5 18 Na 0.75000000000000 0.73768933553810 0.12500000000000 22.990 > 5 19 Na 0.25000000000000 0.73768933553810 0.62500000000000 22.990 > 5 20 Na 0.75000000000000 0.73768933553810 0.62500000000000 22.990 > 5 21 Na 0.25000000000000 0.73768933553810 0.37500000000000 22.990 > 6 22 Na 0.75000000000000 0.73768933553810 0.37500000000000 22.990 > 6 23 Na 0.25000000000000 0.73768933553810 0.87500000000000 22.990 > 6 24 Na 0.75000000000000 0.73768933553810 0.87500000000000 22.990 > 6 25 Na 0.25000000000000 0.26231066446190 0.37500000000000 22.990 > 1 26 Na 0.75000000000000 0.26231066446190 0.37500000000000 22.990 > 1 27 Na 0.25000000000000 0.26231066446190 0.87500000000000 22.990 > 1 28 Na 0.75000000000000 0.26231066446190 0.87500000000000 22.990 > 1 29 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 2 30 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 2 31 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 2 32 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 2 33 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 3 34 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 3 35 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 3 36 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 3 37 Na 0.25000000000000 0.26231066446190 0.12500000000000 22.990 > 4 38 Na 0.75000000000000 0.26231066446190 0.12500000000000 22.990 > 4 39 Na 0.25000000000000 0.26231066446190 0.62500000000000 22.990 > 4 40 Na 0.75000000000000 0.26231066446190 0.62500000000000 22.990 > 4 41 Na 0.00000000000000 0.23768933553810 0.37500000000000 22.990 > 5 42 Na 0.50000000000000 0.23768933553810 0.37500000000000 22.990 > 5 43 Na 0.00000000000000 0.23768933553810 0.87500000000000 22.990 > 5 44 Na 0.50000000000000 0.23768933553810 0.87500000000000 22.990 > 5 45 Na 0.00000000000000 0.23768933553810 0.12500000000000 22.990 > 6 46 Na 0.50000000000000 0.23768933553810 0.12500000000000 22.990 > 6 47 Na 0.00000000000000 0.23768933553810 0.62500000000000 22.990 > 6 48 Na 0.50000000000000 0.23768933553810 0.62500000000000 22.990 > 6 *49 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 7 50 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 7 51 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 7 52 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 7 53 Cu 0.00000000000000 0.00000000000000 0.25000000000000 63.546 > 8 54 Cu 0.50000000000000 0.00000000000000 0.25000000000000 63.546 > 8 55 Cu 0.00000000000000 0.00000000000000 0.75000000000000 63.546 > 8 56 Cu 0.50000000000000 0.00000000000000 0.75000000000000 63.546 > 8 57 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 7 58 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 7 59 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 7 60 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 7 61 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 8 62 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 8 63 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 8 64 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 8 *65 O 0.12450193476588 0.62527150013226 0.00000000000000 15.999 > 9 66 O 0.62450193476588 0.62527150013226 0.00000000000000 15.999 > 9 67 O 0.12450193476588 0.62527150013226 0.50000000000000 15.999 > 9 68 O 0.62450193476588 0.62527150013226 0.50000000000000 15.999 > 9 69 O 0.37549806523412 0.62527150013226 0.25000000000000 15.999 > 10 70 O 0.87549806523412 0.62527150013226 0.25000000000000 15.999 > 10 71 O 0.37549806523412 0.62527150013226 0.75000000000000 15.999 > 10 72 O 0.87549806523412 0.62527150013226 0.75000000000000 15.999 > 10 73 O 0.37450193476588 0.87472849986774 0.00000000000000 15.999 > 11 74 O 0.87450193476588 0.87472849986774 0.00000000000000 15.999 > 11 75 O 0.37450193476588 0.87472849986774 0.50000000000000 15.999 > 11 76 O 0.87450193476588 0.87472849986774 0.50000000000000 15.999 > 11 77 O 0.12549806523412 0.87472849986774 0.25000000000000 15.999 > 12 78 O 0.62549806523412 0.87472849986774 0.25000000000000 15.999 > 12 79 O 0.12549806523412 0.87472849986774 0.75000000000000 15.999 > 12 80 O 0.62549806523412 0.87472849986774 0.75000000000000 15.999 > 12 81 O 0.37450193476588 0.12527150013226 0.25000000000000 15.999 > 9 82 O 0.87450193476588 0.12527150013226 0.25000000000000 15.999 > 9 83 O 0.37450193476588 0.12527150013226 0.75000000000000 15.999 > 9 84 O 0.87450193476588 0.12527150013226 0.75000000000000 15.999 > 9 85 O 0.12549806523412 0.12527150013226 0.00000000000000 15.999 > 10 86 O 0.62549806523412 0.12527150013226 0.00000000000000 15.999 > 10 87 O 0.12549806523412 0.12527150013226 0.50000000000000 15.999 > 10 88 O 0.62549806523412 0.12527150013226 0.50000000000000 15.999 > 10 89 O 0.12450193476588 0.37472849986774 0.25000000000000 15.999 > 11 90 O 0.62450193476588 0.37472849986774 0.25000000000000 15.999 > 11 91 O 0.12450193476588 0.37472849986774 0.75000000000000 15.999 > 11 92 O 0.62450193476588 0.37472849986774 0.75000000000000 15.999 > 11 93 O 0.37549806523412 0.37472849986774 0.00000000000000 15.999 > 12 94 O 0.87549806523412 0.37472849986774 0.00000000000000 15.999 > 12 95 O 0.37549806523412 0.37472849986774 0.50000000000000 15.999 > 12 96 O 0.87549806523412 0.37472849986774 0.50000000000000 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7106705 0.0000000 0.0000000 0.0000000 3.7102609 0.0000000 0.0000000 0.0000000 4.1383479 -------------------------- Born effective charges -------------------------- 1 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 2 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 3 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 4 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 5 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 6 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 7 Cu 0.5038823 1.0476750 0.0000000 1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 8 Cu 0.5038823 -1.0476750 0.0000000 -1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 9 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 10 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 11 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 12 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (752, 734), data: False |-- (112, 112), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (126, 124), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.571 Solver_block: 200 / 240 - Time: 0.580 Solver_block: 240 / 240 - Time: 0.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.446 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (752, 734), data: False |-- (112, 112), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (126, 124), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:23:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:24:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.632026219999999 5.209797665000000 2.954112180000000 b 2.632026219999999 -5.209797665000000 2.954112180000000 c 2.632026219999999 5.209797665000000 -2.954112180000000 Atomic positions (fractional): 1 Na 0.01231066446190 0.25000000000000 0.76231066446190 22.990 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 4 Na 0.51231066446190 0.75000000000000 0.76231066446190 22.990 5 Na 0.98768933553810 0.75000000000000 0.23768933553810 22.990 6 Na 0.48768933553810 0.25000000000000 0.23768933553810 22.990 7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 9 O 0.62527150013226 0.24900386953177 0.87427536966403 15.999 10 O 0.12527150013226 0.25099613046823 0.37626763060050 15.999 11 O 0.87472849986774 0.74900386953177 0.62373236939950 15.999 12 O 0.37472849986774 0.75099613046823 0.12572463033597 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.528104879999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.419595330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.816448720000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.76231066446190 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.76231066446190 0.12500000000000 22.990 > 1 3 Na 0.00000000000000 0.76231066446190 0.62500000000000 22.990 > 1 4 Na 0.50000000000000 0.76231066446190 0.62500000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 5 9 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 9 10 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 9 11 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 9 12 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 9 13 Na 0.00000000000000 0.76231066446190 0.37500000000000 22.990 > 13 14 Na 0.50000000000000 0.76231066446190 0.37500000000000 22.990 > 13 15 Na 0.00000000000000 0.76231066446190 0.87500000000000 22.990 > 13 16 Na 0.50000000000000 0.76231066446190 0.87500000000000 22.990 > 13 17 Na 0.25000000000000 0.73768933553810 0.12500000000000 22.990 > 17 18 Na 0.75000000000000 0.73768933553810 0.12500000000000 22.990 > 17 19 Na 0.25000000000000 0.73768933553810 0.62500000000000 22.990 > 17 20 Na 0.75000000000000 0.73768933553810 0.62500000000000 22.990 > 17 21 Na 0.25000000000000 0.73768933553810 0.37500000000000 22.990 > 21 22 Na 0.75000000000000 0.73768933553810 0.37500000000000 22.990 > 21 23 Na 0.25000000000000 0.73768933553810 0.87500000000000 22.990 > 21 24 Na 0.75000000000000 0.73768933553810 0.87500000000000 22.990 > 21 25 Na 0.25000000000000 0.26231066446190 0.37500000000000 22.990 > 1 26 Na 0.75000000000000 0.26231066446190 0.37500000000000 22.990 > 1 27 Na 0.25000000000000 0.26231066446190 0.87500000000000 22.990 > 1 28 Na 0.75000000000000 0.26231066446190 0.87500000000000 22.990 > 1 29 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 5 30 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 5 31 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 5 32 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 5 33 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 9 34 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 9 35 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 9 36 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 9 37 Na 0.25000000000000 0.26231066446190 0.12500000000000 22.990 > 13 38 Na 0.75000000000000 0.26231066446190 0.12500000000000 22.990 > 13 39 Na 0.25000000000000 0.26231066446190 0.62500000000000 22.990 > 13 40 Na 0.75000000000000 0.26231066446190 0.62500000000000 22.990 > 13 41 Na 0.00000000000000 0.23768933553810 0.37500000000000 22.990 > 17 42 Na 0.50000000000000 0.23768933553810 0.37500000000000 22.990 > 17 43 Na 0.00000000000000 0.23768933553810 0.87500000000000 22.990 > 17 44 Na 0.50000000000000 0.23768933553810 0.87500000000000 22.990 > 17 45 Na 0.00000000000000 0.23768933553810 0.12500000000000 22.990 > 21 46 Na 0.50000000000000 0.23768933553810 0.12500000000000 22.990 > 21 47 Na 0.00000000000000 0.23768933553810 0.62500000000000 22.990 > 21 48 Na 0.50000000000000 0.23768933553810 0.62500000000000 22.990 > 21 49 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 49 50 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 49 51 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 49 52 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 49 53 Cu 0.00000000000000 0.00000000000000 0.25000000000000 63.546 > 53 54 Cu 0.50000000000000 0.00000000000000 0.25000000000000 63.546 > 53 55 Cu 0.00000000000000 0.00000000000000 0.75000000000000 63.546 > 53 56 Cu 0.50000000000000 0.00000000000000 0.75000000000000 63.546 > 53 57 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 49 58 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 49 59 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 49 60 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 49 61 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 53 62 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 53 63 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 53 64 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 53 65 O 0.12450193476588 0.62527150013226 0.00000000000000 15.999 > 65 66 O 0.62450193476588 0.62527150013226 0.00000000000000 15.999 > 65 67 O 0.12450193476588 0.62527150013226 0.50000000000000 15.999 > 65 68 O 0.62450193476588 0.62527150013226 0.50000000000000 15.999 > 65 69 O 0.37549806523412 0.62527150013226 0.25000000000000 15.999 > 69 70 O 0.87549806523412 0.62527150013226 0.25000000000000 15.999 > 69 71 O 0.37549806523412 0.62527150013226 0.75000000000000 15.999 > 69 72 O 0.87549806523412 0.62527150013226 0.75000000000000 15.999 > 69 73 O 0.37450193476588 0.87472849986774 0.00000000000000 15.999 > 73 74 O 0.87450193476588 0.87472849986774 0.00000000000000 15.999 > 73 75 O 0.37450193476588 0.87472849986774 0.50000000000000 15.999 > 73 76 O 0.87450193476588 0.87472849986774 0.50000000000000 15.999 > 73 77 O 0.12549806523412 0.87472849986774 0.25000000000000 15.999 > 77 78 O 0.62549806523412 0.87472849986774 0.25000000000000 15.999 > 77 79 O 0.12549806523412 0.87472849986774 0.75000000000000 15.999 > 77 80 O 0.62549806523412 0.87472849986774 0.75000000000000 15.999 > 77 81 O 0.37450193476588 0.12527150013226 0.25000000000000 15.999 > 65 82 O 0.87450193476588 0.12527150013226 0.25000000000000 15.999 > 65 83 O 0.37450193476588 0.12527150013226 0.75000000000000 15.999 > 65 84 O 0.87450193476588 0.12527150013226 0.75000000000000 15.999 > 65 85 O 0.12549806523412 0.12527150013226 0.00000000000000 15.999 > 69 86 O 0.62549806523412 0.12527150013226 0.00000000000000 15.999 > 69 87 O 0.12549806523412 0.12527150013226 0.50000000000000 15.999 > 69 88 O 0.62549806523412 0.12527150013226 0.50000000000000 15.999 > 69 89 O 0.12450193476588 0.37472849986774 0.25000000000000 15.999 > 73 90 O 0.62450193476588 0.37472849986774 0.25000000000000 15.999 > 73 91 O 0.12450193476588 0.37472849986774 0.75000000000000 15.999 > 73 92 O 0.62450193476588 0.37472849986774 0.75000000000000 15.999 > 73 93 O 0.37549806523412 0.37472849986774 0.00000000000000 15.999 > 77 94 O 0.87549806523412 0.37472849986774 0.00000000000000 15.999 > 77 95 O 0.37549806523412 0.37472849986774 0.50000000000000 15.999 > 77 96 O 0.87549806523412 0.37472849986774 0.50000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7106705 0.0000000 0.0000000 0.0000000 3.7102609 0.0000000 0.0000000 0.0000000 4.1383479 -------------------------- Born effective charges -------------------------- 1 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 2 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 3 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 4 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 5 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 6 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 7 Cu 0.5038823 1.0476750 0.0000000 1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 8 Cu 0.5038823 -1.0476750 0.0000000 -1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 9 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 10 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 11 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 12 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zxx) 0.00000002 (zxx) 0.00000002 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:24:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:24:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.632026219999999 5.209797665000000 2.954112180000000 b 2.632026219999999 -5.209797665000000 2.954112180000000 c 2.632026219999999 5.209797665000000 -2.954112180000000 Atomic positions (fractional): 1 Na 0.01231066446190 0.25000000000000 0.76231066446190 22.990 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 4 Na 0.51231066446190 0.75000000000000 0.76231066446190 22.990 5 Na 0.98768933553810 0.75000000000000 0.23768933553810 22.990 6 Na 0.48768933553810 0.25000000000000 0.23768933553810 22.990 7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 8 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 9 O 0.62527150013226 0.24900386953177 0.87427536966403 15.999 10 O 0.12527150013226 0.25099613046823 0.37626763060050 15.999 11 O 0.87472849986774 0.74900386953177 0.62373236939950 15.999 12 O 0.37472849986774 0.75099613046823 0.12572463033597 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.528104879999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.419595330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.816448720000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.76231066446190 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.76231066446190 0.12500000000000 22.990 > 1 3 Na 0.00000000000000 0.76231066446190 0.62500000000000 22.990 > 1 4 Na 0.50000000000000 0.76231066446190 0.62500000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 5 9 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 9 10 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 9 11 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 9 12 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 9 13 Na 0.00000000000000 0.76231066446190 0.37500000000000 22.990 > 13 14 Na 0.50000000000000 0.76231066446190 0.37500000000000 22.990 > 13 15 Na 0.00000000000000 0.76231066446190 0.87500000000000 22.990 > 13 16 Na 0.50000000000000 0.76231066446190 0.87500000000000 22.990 > 13 17 Na 0.25000000000000 0.73768933553810 0.12500000000000 22.990 > 17 18 Na 0.75000000000000 0.73768933553810 0.12500000000000 22.990 > 17 19 Na 0.25000000000000 0.73768933553810 0.62500000000000 22.990 > 17 20 Na 0.75000000000000 0.73768933553810 0.62500000000000 22.990 > 17 21 Na 0.25000000000000 0.73768933553810 0.37500000000000 22.990 > 21 22 Na 0.75000000000000 0.73768933553810 0.37500000000000 22.990 > 21 23 Na 0.25000000000000 0.73768933553810 0.87500000000000 22.990 > 21 24 Na 0.75000000000000 0.73768933553810 0.87500000000000 22.990 > 21 25 Na 0.25000000000000 0.26231066446190 0.37500000000000 22.990 > 1 26 Na 0.75000000000000 0.26231066446190 0.37500000000000 22.990 > 1 27 Na 0.25000000000000 0.26231066446190 0.87500000000000 22.990 > 1 28 Na 0.75000000000000 0.26231066446190 0.87500000000000 22.990 > 1 29 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 5 30 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 5 31 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 5 32 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 5 33 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 9 34 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 9 35 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 9 36 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 9 37 Na 0.25000000000000 0.26231066446190 0.12500000000000 22.990 > 13 38 Na 0.75000000000000 0.26231066446190 0.12500000000000 22.990 > 13 39 Na 0.25000000000000 0.26231066446190 0.62500000000000 22.990 > 13 40 Na 0.75000000000000 0.26231066446190 0.62500000000000 22.990 > 13 41 Na 0.00000000000000 0.23768933553810 0.37500000000000 22.990 > 17 42 Na 0.50000000000000 0.23768933553810 0.37500000000000 22.990 > 17 43 Na 0.00000000000000 0.23768933553810 0.87500000000000 22.990 > 17 44 Na 0.50000000000000 0.23768933553810 0.87500000000000 22.990 > 17 45 Na 0.00000000000000 0.23768933553810 0.12500000000000 22.990 > 21 46 Na 0.50000000000000 0.23768933553810 0.12500000000000 22.990 > 21 47 Na 0.00000000000000 0.23768933553810 0.62500000000000 22.990 > 21 48 Na 0.50000000000000 0.23768933553810 0.62500000000000 22.990 > 21 49 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 49 50 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 49 51 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 49 52 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 49 53 Cu 0.00000000000000 0.00000000000000 0.25000000000000 63.546 > 53 54 Cu 0.50000000000000 0.00000000000000 0.25000000000000 63.546 > 53 55 Cu 0.00000000000000 0.00000000000000 0.75000000000000 63.546 > 53 56 Cu 0.50000000000000 0.00000000000000 0.75000000000000 63.546 > 53 57 Cu 0.25000000000000 0.50000000000000 0.25000000000000 63.546 > 49 58 Cu 0.75000000000000 0.50000000000000 0.25000000000000 63.546 > 49 59 Cu 0.25000000000000 0.50000000000000 0.75000000000000 63.546 > 49 60 Cu 0.75000000000000 0.50000000000000 0.75000000000000 63.546 > 49 61 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 53 62 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 53 63 Cu 0.25000000000000 0.50000000000000 0.50000000000000 63.546 > 53 64 Cu 0.75000000000000 0.50000000000000 0.50000000000000 63.546 > 53 65 O 0.12450193476588 0.62527150013226 0.00000000000000 15.999 > 65 66 O 0.62450193476588 0.62527150013226 0.00000000000000 15.999 > 65 67 O 0.12450193476588 0.62527150013226 0.50000000000000 15.999 > 65 68 O 0.62450193476588 0.62527150013226 0.50000000000000 15.999 > 65 69 O 0.37549806523412 0.62527150013226 0.25000000000000 15.999 > 69 70 O 0.87549806523412 0.62527150013226 0.25000000000000 15.999 > 69 71 O 0.37549806523412 0.62527150013226 0.75000000000000 15.999 > 69 72 O 0.87549806523412 0.62527150013226 0.75000000000000 15.999 > 69 73 O 0.37450193476588 0.87472849986774 0.00000000000000 15.999 > 73 74 O 0.87450193476588 0.87472849986774 0.00000000000000 15.999 > 73 75 O 0.37450193476588 0.87472849986774 0.50000000000000 15.999 > 73 76 O 0.87450193476588 0.87472849986774 0.50000000000000 15.999 > 73 77 O 0.12549806523412 0.87472849986774 0.25000000000000 15.999 > 77 78 O 0.62549806523412 0.87472849986774 0.25000000000000 15.999 > 77 79 O 0.12549806523412 0.87472849986774 0.75000000000000 15.999 > 77 80 O 0.62549806523412 0.87472849986774 0.75000000000000 15.999 > 77 81 O 0.37450193476588 0.12527150013226 0.25000000000000 15.999 > 65 82 O 0.87450193476588 0.12527150013226 0.25000000000000 15.999 > 65 83 O 0.37450193476588 0.12527150013226 0.75000000000000 15.999 > 65 84 O 0.87450193476588 0.12527150013226 0.75000000000000 15.999 > 65 85 O 0.12549806523412 0.12527150013226 0.00000000000000 15.999 > 69 86 O 0.62549806523412 0.12527150013226 0.00000000000000 15.999 > 69 87 O 0.12549806523412 0.12527150013226 0.50000000000000 15.999 > 69 88 O 0.62549806523412 0.12527150013226 0.50000000000000 15.999 > 69 89 O 0.12450193476588 0.37472849986774 0.25000000000000 15.999 > 73 90 O 0.62450193476588 0.37472849986774 0.25000000000000 15.999 > 73 91 O 0.12450193476588 0.37472849986774 0.75000000000000 15.999 > 73 92 O 0.62450193476588 0.37472849986774 0.75000000000000 15.999 > 73 93 O 0.37549806523412 0.37472849986774 0.00000000000000 15.999 > 77 94 O 0.87549806523412 0.37472849986774 0.00000000000000 15.999 > 77 95 O 0.37549806523412 0.37472849986774 0.50000000000000 15.999 > 77 96 O 0.87549806523412 0.37472849986774 0.50000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7106705 0.0000000 0.0000000 0.0000000 3.7102609 0.0000000 0.0000000 0.0000000 4.1383479 -------------------------- Born effective charges -------------------------- 1 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 2 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 3 Na 1.2751503 0.0000000 0.0000000 0.0000000 0.6888254 0.0000000 0.0000000 0.0000000 0.9697872 4 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 5 Na 0.8993949 0.0000000 -0.0990924 0.0000000 1.2283736 0.0000000 -0.0179446 0.0000000 0.9519732 6 Na 0.8993949 0.0000000 0.0990924 0.0000000 1.2283736 0.0000000 0.0179446 0.0000000 0.9519732 7 Cu 0.5038823 1.0476750 0.0000000 1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 8 Cu 0.5038823 -1.0476750 0.0000000 -1.0418573 0.4186349 0.0000000 0.0000000 0.0000000 0.2596636 9 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 10 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 11 O -1.7889112 -0.6130917 0.0000000 -0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 12 O -1.7889112 0.6130917 0.0000000 0.5687201 -1.7821037 0.0000000 0.0000000 0.0000000 -1.5666986 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxx) 0.00000002 (zxx) 0.00000002 (zxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 720 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 8 8 0 ] 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: 0.76, Number of G-points: 283, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/135) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 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 2.914 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/135) ======================= q-point: ( 0.60 -0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -1.846 2.253 7.946) 8.463 2.536 ( -0.297 3.197 1.317) 3.471 2.743 ( -8.222 19.313 9.405) 23.001 3.060 ( -6.155 -3.709 -11.354) 13.437 3.524 ( -5.472 -1.939 2.225) 6.217 3.708 ( -7.018 -3.484 -4.943) 9.265 4.236 ( -19.316 -2.754 7.890) 21.046 4.412 ( -22.821 -1.388 0.899) 22.881 4.586 ( 5.279 -12.539 4.257) 14.256 4.826 ( 5.128 3.696 -2.482) 6.791 4.900 ( -3.615 2.122 13.067) 13.723 5.169 ( 1.689 -3.156 13.027) 13.510 5.331 ( -1.561 4.624 14.686) 15.476 5.907 ( 2.922 -2.015 1.172) 3.738 5.991 ( -5.545 -1.527 6.642) 8.786 6.184 ( -2.397 0.156 -10.395) 10.669 6.223 ( -0.998 -8.564 1.546) 8.760 6.497 ( -4.926 -0.818 -8.662) 9.998 6.606 ( -0.527 10.751 -2.600) 11.074 7.027 ( 0.969 2.952 -30.521) 30.679 7.589 ( 1.034 -7.369 3.465) 8.208 7.783 ( -0.599 -1.933 0.386) 2.060 7.977 ( 10.697 -2.559 2.180) 11.213 8.194 ( 12.998 5.716 -3.632) 14.657 9.270 ( -0.970 0.499 5.289) 5.401 9.454 ( 1.319 -0.359 -1.895) 2.337 9.976 ( 3.627 -5.319 0.055) 6.438 10.007 ( 2.360 -5.211 -0.155) 5.722 10.261 ( 8.446 2.182 2.816) 9.167 10.464 ( 6.617 6.662 -0.477) 9.402 10.899 ( 5.322 5.262 9.169) 11.836 11.188 ( 5.144 -2.810 -8.638) 10.439 14.757 ( -6.142 0.453 4.904) 7.873 15.163 ( -3.945 2.467 -13.980) 14.734 16.235 ( -2.811 -3.592 2.560) 5.231 16.532 ( 4.811 3.526 -7.246) 9.385 ======================= Grid point 2 (3/135) ======================= q-point: ( 0.20 -0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.390 -2.788 -6.571) 7.148 2.562 ( -14.338 1.844 -7.284) 16.188 2.819 ( -12.718 3.025 -8.662) 15.682 3.540 ( 0.166 -4.224 3.039) 5.206 3.678 ( 5.171 3.002 2.027) 6.313 3.787 ( 1.779 4.235 3.792) 5.956 4.034 ( 6.499 -5.246 -6.267) 10.442 4.320 ( 0.369 9.086 -4.322) 10.068 4.707 ( -0.643 -10.887 -10.266) 14.977 4.769 ( -3.655 -0.601 -10.544) 11.176 4.898 ( -0.387 -7.077 -9.293) 11.687 5.375 ( 3.435 10.910 -5.219) 12.572 5.604 ( 4.774 7.708 -1.811) 9.245 5.977 ( -23.817 -3.424 5.707) 24.729 6.253 ( 0.361 -1.714 0.949) 1.992 6.415 ( -14.664 -1.507 1.067) 14.780 6.497 ( -3.935 3.321 8.276) 9.747 6.665 ( 15.802 0.250 6.114) 16.946 6.998 ( -13.004 -6.101 5.103) 15.243 7.088 ( 8.879 1.949 4.817) 10.288 7.202 ( 9.415 0.715 8.738) 12.865 7.572 ( 0.839 -1.402 -1.098) 1.969 7.654 ( 7.161 0.549 -0.913) 7.240 8.122 ( 7.732 -3.217 7.289) 11.102 9.262 ( 2.682 -2.462 -6.867) 7.773 9.519 ( 2.781 1.725 -0.025) 3.272 9.667 ( -6.102 2.036 -6.792) 9.355 9.819 ( 0.458 0.884 1.218) 1.573 10.008 ( 4.493 -2.145 1.393) 5.170 10.106 ( 5.846 -0.054 -1.750) 6.102 10.743 ( -2.855 -1.253 -1.726) 3.563 11.149 ( -0.757 1.679 4.822) 5.162 14.955 ( -2.642 1.441 2.106) 3.674 15.463 ( -3.672 5.061 12.047) 13.572 16.024 ( -4.417 -0.231 -4.388) 6.230 16.781 ( 7.068 -4.445 9.798) 12.873 ======================= Grid point 3 (4/135) ======================= q-point: (-0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 17.502 1.065 12.816) 21.719 2.075 ( 21.299 -10.849 2.500) 24.033 2.461 ( -1.917 0.021 3.928) 4.371 3.405 ( 28.266 -2.103 2.105) 28.422 3.708 ( -3.493 2.990 -1.250) 4.764 3.818 ( -0.335 4.811 9.397) 10.562 4.011 ( -8.269 -6.745 -1.147) 10.733 4.143 ( 0.320 -4.882 9.766) 10.923 4.437 ( 8.731 -4.339 2.379) 10.036 4.784 ( -8.952 19.708 -1.014) 21.670 4.838 ( -2.563 5.063 2.905) 6.375 5.378 ( 11.963 2.447 0.234) 12.213 5.569 ( 3.124 -5.568 -1.143) 6.487 5.605 ( 14.565 -0.242 -3.702) 15.031 5.907 ( 7.338 -14.437 4.672) 16.855 6.233 ( -1.276 5.734 2.895) 6.549 6.711 ( 6.029 -2.339 -9.681) 11.642 6.814 ( 8.038 9.344 -2.466) 12.570 7.113 ( -7.386 4.172 -7.815) 11.534 7.379 ( -7.344 2.518 0.717) 7.796 7.542 ( -6.079 -2.749 3.065) 7.342 7.711 ( -17.903 -4.587 -6.905) 19.729 7.806 ( -5.650 -5.732 -5.438) 9.713 8.426 ( -6.826 7.588 -5.332) 11.515 9.160 ( -1.902 5.941 7.001) 9.377 9.435 ( 1.176 -0.728 4.034) 4.265 9.615 ( -4.942 -6.287 2.513) 8.383 9.881 ( -1.909 -1.511 -0.242) 2.446 10.097 ( -4.674 4.731 2.851) 7.236 10.194 ( -5.294 0.826 0.179) 5.361 10.642 ( 4.095 -0.077 0.715) 4.158 11.229 ( -2.150 -4.703 -1.474) 5.377 14.872 ( 9.136 -1.339 -1.436) 9.345 15.577 ( 5.074 -5.912 -7.124) 10.557 15.936 ( -2.496 -3.290 1.832) 4.518 17.146 ( -6.273 8.381 -11.141) 15.288 ======================= Grid point 4 (5/135) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 1.159 7.729 8.089) 11.247 2.541 ( 0.181 -7.742 -2.522) 8.144 2.601 ( 2.183 12.024 16.276) 20.353 2.870 ( 5.601 -14.080 -12.337) 19.541 3.353 ( 9.058 8.398 4.883) 13.282 3.539 ( 6.038 -9.809 -6.770) 13.361 3.909 ( 15.205 5.366 1.462) 16.191 3.986 ( 15.465 -2.633 -3.569) 16.088 4.735 ( -3.067 13.613 -0.278) 13.957 4.947 ( -6.571 -5.359 1.585) 8.626 5.204 ( -5.806 -0.863 1.306) 6.013 5.336 ( -1.074 -12.597 -2.797) 12.949 5.613 ( -0.268 8.135 -17.441) 19.247 5.774 ( -1.914 -7.966 13.850) 16.092 6.062 ( 3.429 3.866 -3.770) 6.396 6.111 ( 3.718 -1.499 4.310) 5.886 6.286 ( 2.938 5.644 -1.316) 6.498 6.320 ( 1.922 4.509 -13.776) 14.622 6.385 ( 0.532 3.873 21.424) 21.777 6.607 ( 0.086 -12.944 -4.861) 13.827 7.688 ( -2.684 10.908 -2.203) 11.447 7.799 ( 1.649 2.449 -2.244) 3.708 8.206 ( -8.587 -1.236 2.371) 8.994 8.323 ( -3.948 -10.598 -1.038) 11.357 9.367 ( -0.471 0.421 2.578) 2.655 9.391 ( -0.098 -1.690 -2.095) 2.694 10.048 ( -2.430 8.250 0.050) 8.601 10.093 ( -3.413 2.501 -2.238) 4.787 10.415 ( -2.559 -0.913 -1.130) 2.942 10.467 ( -0.341 -5.059 3.401) 6.105 11.101 ( -4.679 8.099 10.338) 13.942 11.278 ( -7.432 -9.824 -10.314) 16.066 14.809 ( 2.654 0.168 0.510) 2.707 14.828 ( 3.422 -1.624 0.932) 3.901 16.271 ( 0.162 9.727 -4.594) 10.759 16.440 ( 0.293 -7.436 6.217) 9.697 ======================= Grid point 5 (6/135) ======================= q-point: (-0.01 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -24.909 0.000 -15.125) 29.141 0.971 ( -21.019 0.000 -23.272) 31.359 1.545 ( -41.808 0.000 -27.498) 50.040 2.840 ( 6.511 -0.000 0.068) 6.512 3.443 ( -14.143 0.000 -8.844) 16.680 3.834 ( -0.496 0.000 -13.911) 13.920 4.067 ( -4.504 -0.000 4.585) 6.428 4.093 ( 3.297 -0.000 5.615) 6.512 4.309 ( 1.793 0.000 -1.809) 2.547 4.486 ( -13.323 -0.000 9.027) 16.093 5.081 ( 3.347 0.000 -8.135) 8.797 5.265 ( -2.269 0.000 -2.318) 3.243 5.519 ( 3.304 -0.000 1.349) 3.568 5.661 ( 2.725 0.000 -3.957) 4.804 5.711 ( 5.093 -0.000 1.214) 5.236 6.322 ( -2.309 -0.000 7.728) 8.066 6.499 ( -11.890 -0.000 9.290) 15.088 6.515 ( 0.261 -0.000 2.247) 2.262 7.406 ( -3.417 0.000 0.456) 3.447 7.474 ( 4.605 -0.000 5.810) 7.414 7.659 ( -3.830 0.000 -3.154) 4.961 7.801 ( -1.951 -0.000 19.788) 19.884 8.321 ( 14.019 -0.000 2.736) 14.284 8.676 ( -1.467 -0.000 2.716) 3.087 9.374 ( -0.869 0.000 -3.437) 3.545 9.486 ( 4.967 0.000 -1.814) 5.288 9.624 ( -0.669 0.000 -0.803) 1.045 10.081 ( 5.629 -0.000 -0.489) 5.650 10.396 ( 11.982 0.000 -14.273) 18.635 10.419 ( 2.766 0.000 -0.665) 2.845 10.471 ( -1.960 0.000 -1.683) 2.583 11.573 ( 25.545 0.000 -18.097) 31.305 14.458 ( -6.267 0.000 -1.061) 6.356 15.369 ( -1.903 -0.000 5.309) 5.639 16.028 ( 2.534 -0.000 0.216) 2.544 16.926 ( -35.283 -0.000 36.427) 50.713 ======================= Grid point 6 (7/135) ======================= q-point: ( 0.59 -0.34 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.391 3.301 10.331) 10.853 2.593 ( -8.813 2.843 1.955) 9.464 2.778 ( -10.340 18.166 5.590) 21.637 3.270 ( -4.059 -3.238 0.131) 5.194 3.683 ( -3.982 -2.304 -4.773) 6.630 3.828 ( -1.772 -3.592 -0.573) 4.046 4.205 ( 13.146 -8.796 6.968) 17.284 4.347 ( -9.028 1.622 10.354) 13.832 4.593 ( 3.971 -6.038 1.368) 7.355 4.741 ( -4.042 3.051 9.920) 11.138 4.825 ( 1.635 12.830 13.115) 18.420 5.206 ( -22.775 -5.354 0.311) 23.398 5.280 ( -16.455 -8.714 3.166) 18.887 5.879 ( -3.954 3.848 -0.138) 5.519 6.000 ( -5.964 -6.088 5.018) 9.890 6.165 ( -5.579 -12.342 3.400) 13.965 6.567 ( -2.321 1.765 -14.451) 14.742 6.682 ( -1.089 12.806 -2.878) 13.171 6.780 ( -2.806 -1.013 -9.634) 10.085 7.408 ( 11.782 4.545 -6.317) 14.120 7.532 ( -0.065 -1.502 -4.170) 4.433 7.721 ( 8.200 -5.013 -1.460) 9.721 7.839 ( 11.295 5.207 -7.555) 14.552 7.944 ( 8.338 -6.145 -3.314) 10.875 9.185 ( -1.522 -0.544 6.540) 6.737 9.417 ( -0.296 -2.578 2.130) 3.357 9.924 ( 3.221 -0.065 -0.367) 3.242 9.957 ( 3.235 -2.683 0.775) 4.274 10.001 ( 6.946 1.415 3.392) 7.859 10.192 ( 9.670 3.245 3.938) 10.934 10.752 ( -0.115 3.165 2.044) 3.769 11.261 ( 3.900 1.070 -6.896) 7.994 14.853 ( -7.226 -0.671 0.173) 7.260 15.550 ( -3.383 1.571 -14.066) 14.552 16.207 ( 3.080 6.773 1.245) 7.544 16.595 ( 2.431 -6.339 -6.958) 9.721 ======================= Grid point 7 (8/135) ======================= q-point: ( 0.19 -0.57 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.258 -2.823 -9.202) 9.707 2.717 ( 2.699 0.459 4.619) 5.369 3.180 ( -4.362 -4.613 -8.256) 10.414 3.438 ( 5.546 -4.172 0.514) 6.959 3.542 ( 2.475 3.679 5.754) 7.264 3.664 ( -0.355 5.291 5.069) 7.336 4.056 ( -5.083 -1.988 -6.799) 8.718 4.332 ( -3.173 3.588 4.656) 6.680 4.877 ( 11.949 0.187 -15.601) 19.653 5.117 ( 0.697 1.176 -18.022) 18.074 5.295 ( -7.761 -4.262 -10.222) 13.524 5.444 ( 6.895 5.027 -4.218) 9.519 5.536 ( 7.895 2.863 -10.629) 13.546 5.874 ( 9.377 1.326 15.216) 17.923 6.148 ( -6.942 -2.084 10.064) 12.402 6.185 ( 12.733 6.931 4.892) 15.300 6.322 ( 6.256 -0.872 0.094) 6.317 6.678 ( -3.961 -8.757 4.664) 10.683 6.872 ( 4.913 -1.247 2.487) 5.646 7.085 ( -9.597 0.694 4.055) 10.442 7.249 ( 5.304 1.613 14.249) 15.290 7.401 ( -24.142 -2.883 -0.169) 24.314 7.717 ( 1.247 -0.809 -6.768) 6.929 7.871 ( 5.351 0.486 2.269) 5.832 9.349 ( 1.818 0.443 -5.739) 6.037 9.452 ( 2.592 1.163 -0.418) 2.871 9.851 ( -1.890 0.033 0.331) 1.919 9.867 ( -1.810 0.131 0.900) 2.025 9.981 ( 1.865 0.951 -0.753) 2.225 10.077 ( -11.027 -1.051 -2.514) 11.359 10.836 ( -1.509 -1.535 -3.200) 3.857 11.049 ( -1.546 -0.008 7.162) 7.327 14.944 ( 1.591 0.703 -1.252) 2.143 15.245 ( -0.718 3.182 12.379) 12.802 16.259 ( -6.659 -2.903 -5.163) 8.912 16.446 ( 6.321 -0.100 7.760) 10.009 ======================= Grid point 8 (9/135) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 24.346 -6.618 0.000) 25.229 1.498 ( 26.553 -16.121 0.000) 31.064 2.532 ( 44.612 -14.427 0.000) 46.886 2.595 ( -8.979 4.852 -0.000) 10.206 3.613 ( 7.598 6.346 0.000) 9.900 3.836 ( 13.776 -5.163 0.000) 14.712 3.904 ( -7.655 7.827 -0.000) 10.948 4.158 ( -2.792 -3.343 -0.000) 4.356 4.360 ( -1.338 -8.477 0.000) 8.582 4.799 ( 16.009 15.791 0.000) 22.487 4.878 ( -3.767 0.918 -0.000) 3.878 5.124 ( -4.226 12.551 -0.000) 13.244 5.293 ( 11.210 7.296 0.000) 13.375 5.602 ( 0.591 -3.899 0.000) 3.944 6.033 ( -12.342 -23.235 -0.000) 26.310 6.241 ( -2.308 10.538 -0.000) 10.788 6.620 ( 8.164 4.985 0.000) 9.566 6.712 ( 6.734 1.209 0.000) 6.841 7.338 ( -4.918 12.456 -0.000) 13.392 7.402 ( -0.135 -0.915 0.000) 0.924 7.617 ( -3.458 -3.600 -0.000) 4.992 8.015 ( -8.223 -3.783 -0.000) 9.052 8.251 ( -16.245 -9.404 -0.000) 18.771 8.600 ( -3.952 8.804 -0.000) 9.651 9.100 ( -2.048 7.639 -0.000) 7.909 9.404 ( -3.506 -0.569 -0.000) 3.552 9.664 ( -2.705 -6.659 -0.000) 7.188 9.866 ( 0.913 -1.278 0.000) 1.571 10.141 ( -2.848 1.198 -0.000) 3.090 10.301 ( -4.595 2.150 -0.000) 5.073 10.552 ( 3.205 -2.262 0.000) 3.923 11.306 ( -4.342 -7.179 -0.000) 8.390 14.664 ( 10.606 -1.480 0.000) 10.708 15.552 ( 4.270 -5.415 0.000) 6.896 16.004 ( -4.205 -4.677 -0.000) 6.289 17.454 ( -6.757 11.501 -0.000) 13.339 ======================= Grid point 9 (10/135) ======================= q-point: ( 0.39 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 16.463 15.493) 22.607 2.122 ( 0.000 15.596 21.007) 26.164 2.662 ( -0.000 -6.788 -2.282) 7.161 2.888 ( 0.000 12.666 8.563) 15.289 3.247 ( -0.000 -6.603 -6.439) 9.223 3.601 ( -0.000 -10.345 -4.743) 11.380 3.740 ( 0.000 1.233 -0.351) 1.282 3.905 ( -0.000 -7.196 -5.434) 9.017 4.749 ( 0.000 2.467 24.432) 24.556 4.754 ( 0.000 14.260 0.965) 14.293 5.058 ( -0.000 -15.762 1.431) 15.827 5.406 ( -0.000 -12.572 17.941) 21.908 5.693 ( -0.000 -8.305 -11.167) 13.917 5.710 ( 0.000 -0.337 19.884) 19.887 5.936 ( 0.000 3.583 8.773) 9.477 6.008 ( -0.000 6.693 -17.111) 18.373 6.197 ( -0.000 0.291 -5.456) 5.464 6.360 ( 0.000 14.310 -3.422) 14.713 6.590 ( -0.000 -11.702 -7.446) 13.870 7.009 ( -0.000 1.228 -30.064) 30.089 7.762 ( 0.000 1.871 1.384) 2.327 7.796 ( 0.000 7.203 -1.475) 7.353 8.174 ( -0.000 -9.634 5.878) 11.286 8.459 ( -0.000 -4.062 -5.225) 6.618 9.246 ( 0.000 -0.117 5.428) 5.429 9.503 ( -0.000 -0.049 -4.557) 4.557 10.073 ( 0.000 6.382 0.129) 6.383 10.195 ( -0.000 -0.036 -2.658) 2.659 10.365 ( 0.000 -1.694 4.145) 4.478 10.496 ( -0.000 1.154 -2.803) 3.032 10.910 ( 0.000 8.237 12.121) 14.655 11.558 ( -0.000 -12.221 -6.973) 14.070 14.574 ( 0.000 0.258 8.073) 8.077 15.023 ( -0.000 1.090 -11.877) 11.927 16.255 ( -0.000 -5.276 7.682) 9.319 16.447 ( 0.000 13.191 -10.030) 16.571 ======================= Grid point 10 (11/135) ======================= q-point: (-0.01 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -21.300 0.000 -14.786) 25.928 1.837 ( -18.262 0.000 -18.416) 25.935 2.692 ( 6.972 0.000 -2.062) 7.271 2.833 ( -32.860 0.000 -16.881) 36.943 3.851 ( 4.739 -0.000 6.237) 7.834 3.945 ( 3.427 -0.000 4.339) 5.529 4.084 ( -22.410 0.000 -9.237) 24.239 4.224 ( 0.665 0.000 -18.200) 18.212 4.268 ( 1.418 -0.000 0.004) 1.418 4.755 ( -23.425 -0.000 4.739) 23.899 5.162 ( 9.508 0.000 -3.129) 10.010 5.316 ( -0.006 0.000 -6.876) 6.876 5.341 ( 8.534 -0.000 0.555) 8.552 5.687 ( 3.213 0.000 -2.379) 3.998 5.718 ( -3.614 0.000 -7.763) 8.563 6.288 ( -7.213 -0.000 6.801) 9.913 6.366 ( 0.998 -0.000 8.277) 8.337 6.584 ( -10.542 -0.000 5.416) 11.852 7.159 ( 8.019 -0.000 10.372) 13.110 7.259 ( -1.035 -0.000 22.445) 22.469 7.571 ( -1.232 0.000 -1.470) 1.918 7.814 ( -0.818 0.000 -3.723) 3.812 7.913 ( 17.070 -0.000 2.963) 17.325 8.540 ( 7.501 -0.000 4.787) 8.898 9.447 ( 0.966 0.000 -2.901) 3.057 9.450 ( 0.797 0.000 -1.919) 2.078 9.623 ( 1.597 -0.000 -0.111) 1.601 9.953 ( 5.733 -0.000 0.689) 5.774 10.328 ( 7.514 -0.000 -1.060) 7.588 10.432 ( 5.595 0.000 -6.030) 8.226 10.594 ( -3.744 0.000 -3.555) 5.162 11.357 ( 15.374 0.000 -3.058) 15.675 14.648 ( -8.147 0.000 -1.550) 8.293 15.268 ( -2.814 -0.000 8.672) 9.117 15.982 ( 1.904 0.000 -1.354) 2.336 16.863 ( -9.913 -0.000 15.173) 18.124 ======================= Grid point 11 (12/135) ======================= q-point: ( 0.58 -0.46 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.487 3.839 7.057) 8.048 2.694 ( -3.481 -0.027 3.636) 5.033 2.866 ( -0.997 6.749 0.146) 6.824 3.421 ( -10.277 -2.608 -1.148) 10.665 3.668 ( -0.193 -1.710 10.640) 10.779 3.786 ( 6.979 -5.231 -0.701) 8.750 3.952 ( 2.502 -0.458 -2.488) 3.558 4.285 ( -3.467 -4.968 7.787) 9.867 4.381 ( 2.490 10.833 7.184) 13.235 4.626 ( -0.487 0.119 4.443) 4.471 4.714 ( 1.286 3.738 -3.512) 5.288 5.391 ( -4.221 -5.014 2.878) 7.158 5.602 ( -8.768 -11.756 1.459) 14.738 5.913 ( -0.758 9.537 2.883) 9.992 6.293 ( -22.616 -3.926 -4.569) 23.405 6.426 ( -20.336 -10.061 1.041) 22.712 6.742 ( -1.087 5.346 -1.503) 5.658 6.781 ( 12.662 3.993 -9.368) 16.249 6.993 ( 2.352 1.710 -3.810) 4.793 7.114 ( 7.652 -1.856 2.103) 8.150 7.432 ( 22.701 6.468 -4.567) 24.042 7.495 ( -0.493 -1.524 3.602) 3.942 7.781 ( 2.755 -3.450 -7.214) 8.457 8.109 ( -1.872 0.394 -6.168) 6.458 9.046 ( -0.329 0.389 6.637) 6.656 9.446 ( -5.615 -2.813 1.579) 6.476 9.689 ( 8.837 3.677 4.701) 10.664 9.873 ( 2.221 -0.035 -1.238) 2.543 9.936 ( -0.455 -0.755 1.087) 1.400 10.078 ( 0.697 -1.145 -0.433) 1.408 10.729 ( 0.533 2.001 0.392) 2.108 11.305 ( 2.572 0.589 -3.682) 4.530 15.008 ( -4.454 -1.286 -1.744) 4.953 15.838 ( -1.895 -4.185 -6.627) 8.063 16.071 ( 8.537 6.927 -1.560) 11.104 16.722 ( -3.324 -1.995 -3.879) 5.483 ======================= Grid point 12 (13/135) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 5.004 1.061 3.890) 6.426 2.553 ( 2.989 -0.332 2.459) 3.885 3.023 ( 12.906 -3.433 12.981) 18.624 3.333 ( 2.516 -10.025 -5.014) 11.488 3.528 ( 1.490 3.901 -4.407) 6.071 3.724 ( -3.540 1.349 -2.000) 4.283 4.342 ( -6.510 4.357 -2.658) 8.272 4.390 ( -10.142 0.518 0.969) 10.201 4.749 ( 18.210 7.424 -2.237) 19.792 5.089 ( 26.022 -0.413 -6.404) 26.802 5.251 ( 12.003 -2.308 7.845) 14.524 5.497 ( -0.460 4.890 -13.105) 13.995 5.576 ( -3.177 -9.464 9.990) 14.123 5.707 ( -2.131 2.797 -4.374) 5.612 6.019 ( -2.172 5.973 7.048) 9.491 6.091 ( -1.705 -1.167 -4.350) 4.816 6.270 ( 5.007 2.977 -5.861) 8.263 6.583 ( 5.638 -2.765 2.919) 6.925 6.625 ( 11.800 -2.879 4.040) 12.801 6.775 ( 0.919 -3.722 2.846) 4.775 7.485 ( -19.828 1.841 1.419) 19.964 7.653 ( 1.061 -2.343 0.549) 2.630 7.844 ( 0.037 2.789 -3.229) 4.267 7.987 ( -16.192 -3.277 -5.022) 17.266 9.398 ( 1.204 -1.408 -2.181) 2.862 9.449 ( 0.718 -1.020 -1.079) 1.649 9.796 ( 1.058 5.783 1.922) 6.185 9.874 ( -2.386 2.817 0.799) 3.777 10.120 ( -10.435 -0.198 -1.304) 10.518 10.379 ( -10.821 -4.395 0.923) 11.716 10.904 ( -0.330 0.303 8.117) 8.129 10.993 ( -5.901 -1.274 -5.667) 8.280 14.956 ( 3.376 0.393 -0.675) 3.466 15.008 ( 2.597 1.405 3.430) 4.526 16.186 ( 3.719 3.220 4.986) 7.004 16.500 ( -3.843 -3.880 -4.949) 7.370 ======================= Grid point 13 (14/135) ======================= q-point: (-0.22 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 15.654 -11.593 -22.239) 29.564 1.101 ( 19.248 -20.505 -13.043) 31.001 1.808 ( 34.411 -26.294 -19.990) 47.698 2.762 ( -5.486 6.757 -0.326) 8.710 3.411 ( 14.846 2.883 -8.999) 17.598 3.836 ( 1.350 -0.160 -12.560) 12.633 3.978 ( -0.500 7.160 3.701) 8.075 4.081 ( 4.930 4.168 4.716) 7.995 4.380 ( 6.267 1.785 4.514) 7.927 4.437 ( 2.525 -6.409 -1.148) 6.983 5.047 ( -3.037 2.289 -8.184) 9.024 5.149 ( 0.970 9.625 -0.734) 9.701 5.347 ( -8.317 12.633 -1.588) 15.208 5.614 ( -0.813 -3.407 -2.390) 4.241 6.138 ( -6.059 -14.266 8.067) 17.473 6.249 ( 1.792 0.089 3.786) 4.190 6.441 ( 9.054 6.410 3.463) 11.621 6.504 ( 2.528 -1.356 5.142) 5.888 7.249 ( 1.676 13.380 9.260) 16.358 7.499 ( -3.411 -2.251 -2.953) 5.042 7.668 ( 2.209 -3.654 -2.940) 5.184 7.945 ( -0.695 -10.369 15.662) 18.796 8.333 ( -8.260 2.870 6.811) 11.084 8.618 ( -1.519 3.540 3.171) 4.989 9.200 ( 0.277 9.747 -2.887) 10.169 9.560 ( -3.262 -0.724 -0.910) 3.463 9.753 ( -1.320 -11.674 -4.287) 12.507 10.134 ( -7.954 1.127 -9.472) 12.419 10.206 ( -0.370 5.224 -5.785) 7.803 10.398 ( -4.382 1.917 -1.293) 4.955 10.552 ( -2.412 -3.867 -1.830) 4.912 11.555 ( -15.209 1.133 -9.350) 17.889 14.475 ( 7.234 -0.592 -0.766) 7.299 15.408 ( 2.356 -4.263 6.420) 8.058 16.071 ( -0.729 -2.221 -1.373) 2.712 17.029 ( 15.241 -7.518 31.741) 36.004 ======================= Grid point 14 (15/135) ======================= q-point: ( 0.38 -0.13 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -7.328 12.626 19.444) 24.315 1.831 ( -10.431 21.706 15.577) 28.681 2.595 ( 2.559 4.505 2.670) 5.828 2.778 ( -13.305 14.180 12.886) 23.327 3.469 ( -10.763 -7.227 -1.168) 13.017 3.757 ( -3.615 -4.175 -0.315) 5.531 3.808 ( -6.313 -7.976 -2.616) 10.503 4.174 ( -11.774 -6.245 -5.575) 14.447 4.275 ( -5.280 1.161 21.060) 21.743 4.704 ( 2.639 13.353 1.812) 13.732 4.957 ( 5.848 -11.154 0.648) 12.610 5.144 ( 0.855 -11.823 8.079) 14.345 5.236 ( 6.342 -5.885 11.770) 14.608 5.745 ( 2.097 3.479 3.045) 5.077 5.943 ( -5.335 -8.524 0.407) 10.064 6.283 ( -2.688 -3.157 -1.263) 4.334 6.363 ( -1.884 3.654 -12.503) 13.161 6.449 ( 0.107 13.392 -4.725) 14.201 6.789 ( -1.520 -11.365 -9.949) 15.181 7.602 ( 5.018 7.421 -19.037) 21.039 7.644 ( 2.327 -0.015 -1.765) 2.921 7.849 ( -2.544 3.591 -1.505) 4.651 8.066 ( 1.836 -12.413 0.968) 12.585 8.500 ( 7.095 0.238 -5.752) 9.136 9.153 ( -0.687 -2.053 4.222) 4.745 9.550 ( 2.142 -0.650 -1.354) 2.616 10.036 ( 2.761 6.707 1.079) 7.333 10.160 ( 0.195 -10.750 5.544) 12.097 10.287 ( 5.811 7.558 -0.543) 9.549 10.459 ( 5.623 3.093 3.538) 7.328 10.676 ( 0.577 3.943 5.742) 6.990 11.539 ( 8.625 -6.386 -1.682) 10.863 14.517 ( -6.682 -0.156 3.592) 7.588 15.304 ( -2.333 5.065 -12.119) 13.340 16.147 ( -2.003 -1.223 4.128) 4.748 16.729 ( -0.993 8.655 -15.541) 17.817 ======================= Grid point 15 (16/135) ======================= q-point: (-0.02 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -7.968 0.000 -9.091) 12.089 2.462 ( -12.249 0.000 -8.129) 14.701 2.808 ( -7.569 0.000 -11.348) 13.641 3.479 ( -10.793 -0.000 2.090) 10.993 3.636 ( 4.290 -0.000 4.417) 6.158 3.743 ( 5.656 -0.000 2.673) 6.256 4.244 ( 2.862 0.000 -1.437) 3.202 4.418 ( 6.600 0.000 -4.035) 7.736 4.728 ( -18.570 0.000 -1.523) 18.633 4.997 ( 0.809 0.000 -9.162) 9.197 5.208 ( -25.101 0.000 2.229) 25.200 5.304 ( 5.705 0.000 -13.400) 14.564 5.614 ( 3.319 -0.000 1.851) 3.800 5.635 ( 0.050 0.000 -16.226) 16.226 6.025 ( -0.180 -0.000 18.222) 18.223 6.100 ( -14.937 0.000 -7.913) 16.903 6.357 ( -2.052 -0.000 6.149) 6.483 6.674 ( -8.642 -0.000 7.686) 11.565 6.792 ( 6.599 -0.000 4.491) 7.982 6.862 ( -5.914 -0.000 15.315) 16.417 7.433 ( 23.138 -0.000 -0.325) 23.140 7.673 ( -3.261 0.000 -2.479) 4.096 7.848 ( 5.062 -0.000 0.304) 5.071 8.172 ( 11.880 -0.000 8.206) 14.439 9.453 ( 2.009 0.000 -1.194) 2.337 9.494 ( -0.936 -0.000 1.974) 2.184 9.642 ( -3.051 0.000 -4.245) 5.228 9.837 ( 3.646 -0.000 0.110) 3.648 10.144 ( 9.833 -0.000 0.725) 9.860 10.380 ( 9.610 0.000 -3.210) 10.132 10.760 ( -2.641 0.000 -5.291) 5.913 11.100 ( 7.254 -0.000 3.471) 8.042 14.838 ( -5.062 0.000 -3.051) 5.911 15.133 ( -2.347 -0.000 8.874) 9.179 16.048 ( -2.712 0.000 -4.658) 5.390 16.692 ( 1.295 -0.000 9.467) 9.555 ======================= Grid point 16 (17/135) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.975 4.135 -0.000) 4.248 2.584 ( 8.012 -6.268 0.000) 10.172 2.718 ( 14.684 -9.357 0.000) 17.411 3.508 ( -4.103 4.600 -0.000) 6.164 3.617 ( 5.984 4.440 0.000) 7.452 3.844 ( -17.179 -2.355 -0.000) 17.340 4.013 ( 11.255 -2.553 0.000) 11.541 4.022 ( -2.446 -1.803 -0.000) 3.038 4.363 ( -0.626 8.348 -0.000) 8.371 4.570 ( 1.507 -0.986 0.000) 1.801 4.755 ( -0.280 0.349 -0.000) 0.448 5.419 ( -1.123 1.388 -0.000) 1.785 5.667 ( -1.038 -9.290 0.000) 9.348 5.852 ( 4.999 12.303 0.000) 13.280 6.362 ( 24.250 -0.327 0.000) 24.253 6.446 ( 19.194 -13.573 0.000) 23.508 6.710 ( 3.961 9.719 0.000) 10.495 6.928 ( -4.052 0.767 -0.000) 4.124 6.951 ( -24.511 0.307 -0.000) 24.513 7.167 ( 1.283 0.663 0.000) 1.444 7.391 ( -16.652 -1.314 -0.000) 16.704 7.465 ( -0.602 -0.498 -0.000) 0.781 7.881 ( -4.265 -3.655 -0.000) 5.617 8.222 ( -3.128 6.067 -0.000) 6.826 8.975 ( -0.352 1.768 -0.000) 1.803 9.471 ( 6.706 1.963 0.000) 6.987 9.561 ( -6.744 -4.287 -0.000) 7.992 9.901 ( 0.142 -0.288 0.000) 0.321 9.926 ( -2.783 1.229 -0.000) 3.042 10.101 ( -1.991 0.589 -0.000) 2.076 10.703 ( 1.538 -0.166 0.000) 1.547 11.315 ( -0.106 -2.345 0.000) 2.347 15.045 ( 3.691 0.064 0.000) 3.692 15.927 ( 0.170 -0.624 0.000) 0.647 15.941 ( 3.888 -9.090 0.000) 9.887 16.881 ( -6.850 8.964 -0.000) 11.282 ======================= Grid point 17 (18/135) ======================= q-point: ( 0.18 0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 12.590 9.343 14.634) 21.447 2.227 ( 11.340 3.584 14.883) 19.052 2.649 ( -0.422 -7.827 3.845) 8.730 3.204 ( 16.437 4.762 6.809) 18.418 3.570 ( 0.392 -8.675 -7.514) 11.483 3.862 ( -1.227 -0.505 -5.752) 5.903 4.228 ( 25.462 0.842 4.398) 25.853 4.384 ( 4.446 9.358 0.688) 10.383 4.506 ( -1.484 -2.067 4.262) 4.964 4.712 ( 13.664 3.588 2.165) 14.292 5.091 ( -9.031 -8.490 6.466) 13.980 5.350 ( -6.136 -6.422 8.633) 12.387 5.622 ( -0.214 -5.799 9.689) 11.294 5.738 ( -2.330 4.909 10.513) 11.834 5.979 ( 2.511 5.901 -4.453) 7.807 6.049 ( 0.777 6.373 -8.230) 10.438 6.245 ( 7.420 -2.112 -1.663) 7.892 6.444 ( 8.317 -2.113 -5.241) 10.055 6.755 ( 1.453 -2.898 -17.597) 17.894 6.940 ( -5.479 -0.088 -13.965) 15.002 7.569 ( 2.030 0.409 -0.261) 2.087 7.864 ( 4.049 3.970 -2.414) 6.163 7.908 ( -18.230 -0.426 0.637) 18.246 8.380 ( -11.068 -7.018 -3.009) 13.446 9.353 ( 1.588 -6.380 3.369) 7.388 9.474 ( -0.405 -0.563 -2.453) 2.549 9.797 ( -2.379 11.666 0.180) 11.908 9.970 ( -5.098 3.912 -1.638) 6.632 10.334 ( -7.834 -1.110 0.596) 7.935 10.468 ( -3.809 -5.358 3.822) 7.605 10.730 ( 0.136 2.309 7.835) 8.170 11.325 ( -14.068 -3.253 -3.904) 14.958 14.736 ( 6.157 1.230 5.237) 8.176 15.086 ( 2.608 0.277 -9.119) 9.489 16.085 ( -1.199 6.393 2.095) 6.833 16.611 ( 4.940 -3.575 -6.152) 8.662 ======================= Grid point 18 (19/135) ======================= q-point: (-0.22 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 -21.982 -19.928) 29.671 1.349 ( -0.000 -13.694 -24.709) 28.250 2.115 ( -0.000 -15.303 -33.001) 36.377 2.820 ( 0.000 7.207 0.351) 7.216 3.409 ( 0.000 3.596 -4.238) 5.558 3.796 ( 0.000 3.289 3.092) 4.514 3.892 ( 0.000 3.848 9.918) 10.638 4.192 ( 0.000 6.065 6.430) 8.840 4.233 ( -0.000 0.309 -22.463) 22.465 4.481 ( -0.000 -10.112 -2.135) 10.335 5.225 ( 0.000 10.086 -6.445) 11.970 5.326 ( -0.000 2.212 -13.731) 13.908 5.467 ( 0.000 12.058 -3.354) 12.516 5.728 ( -0.000 -3.094 -5.071) 5.941 6.023 ( 0.000 5.784 8.191) 10.027 6.114 ( -0.000 -19.402 3.003) 19.633 6.207 ( 0.000 -2.606 7.083) 7.547 6.355 ( 0.000 2.479 9.055) 9.389 7.016 ( 0.000 12.665 10.103) 16.201 7.521 ( 0.000 -5.814 22.852) 23.580 7.633 ( -0.000 -7.475 -0.023) 7.475 7.645 ( -0.000 -5.942 -1.701) 6.180 8.376 ( 0.000 11.869 0.843) 11.899 8.569 ( 0.000 -0.060 1.259) 1.260 9.253 ( 0.000 9.847 -2.956) 10.281 9.565 ( 0.000 -0.891 2.365) 2.528 9.847 ( -0.000 -14.487 -2.039) 14.630 10.167 ( -0.000 -7.174 2.875) 7.729 10.372 ( 0.000 7.911 -4.788) 9.247 10.515 ( 0.000 1.670 -2.243) 2.796 10.622 ( -0.000 -3.089 -3.320) 4.535 11.913 ( 0.000 15.231 2.093) 15.374 14.444 ( -0.000 0.294 -4.304) 4.314 15.226 ( 0.000 -0.200 8.351) 8.354 16.163 ( -0.000 1.849 -6.901) 7.144 16.333 ( -0.000 -23.000 11.105) 25.541 ======================= Grid point 19 (20/135) ======================= q-point: ( 0.37 -0.25 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -14.886 9.333 15.199) 23.231 1.933 ( -19.809 20.867 5.938) 29.378 2.505 ( 4.761 -1.480 -0.301) 4.995 2.961 ( -24.739 15.481 6.431) 29.884 3.617 ( -8.891 -6.590 10.500) 15.255 3.730 ( 3.443 -3.236 -3.429) 5.838 4.032 ( -12.572 2.358 4.836) 13.675 4.163 ( -7.227 -0.895 4.418) 8.518 4.526 ( -4.845 -6.768 -1.480) 8.454 4.562 ( 4.566 8.491 2.505) 9.961 4.848 ( 4.143 -7.156 -1.171) 8.351 4.928 ( -3.307 -7.679 3.261) 8.974 5.158 ( -10.725 -10.755 2.516) 15.396 5.688 ( -0.449 5.382 0.308) 5.410 6.001 ( -2.714 -11.175 1.312) 11.575 6.270 ( 4.065 -3.746 1.564) 5.745 6.547 ( -2.154 6.214 -2.557) 7.057 6.664 ( -5.424 3.785 -8.099) 10.456 7.019 ( -0.442 -8.801 -8.178) 12.022 7.464 ( 2.183 -0.311 3.816) 4.407 7.714 ( 5.583 2.964 1.149) 6.424 7.988 ( 5.553 -1.089 -6.256) 8.435 8.159 ( 3.766 0.572 -13.741) 14.259 8.407 ( 12.917 -1.813 -5.181) 14.035 9.073 ( 0.001 -3.647 5.205) 6.356 9.445 ( 3.347 -3.541 4.705) 6.774 9.883 ( 5.195 8.232 5.237) 11.053 9.967 ( 1.762 -1.622 6.666) 7.084 10.137 ( 7.914 1.961 -1.104) 8.228 10.259 ( 5.083 -1.716 1.271) 5.513 10.631 ( -1.465 4.239 0.889) 4.572 11.412 ( 5.465 3.642 -1.669) 6.776 14.670 ( -10.327 -0.666 0.203) 10.350 15.600 ( -4.492 7.279 -7.901) 11.644 16.112 ( 1.393 4.533 1.121) 4.873 17.046 ( 4.446 -8.296 -13.369) 16.350 ======================= Grid point 20 (21/135) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -4.945 0.000 -9.100) 10.357 2.607 ( -0.312 -0.000 6.689) 6.697 3.295 ( -9.061 0.000 -12.528) 15.462 3.422 ( 2.103 -0.000 8.975) 9.218 3.516 ( 0.850 -0.000 0.749) 1.133 3.554 ( 5.316 -0.000 1.681) 5.576 4.193 ( 2.259 0.000 -3.713) 4.346 4.222 ( 5.418 -0.000 5.662) 7.837 5.051 ( -16.174 -0.000 2.555) 16.374 5.333 ( 9.422 -0.000 1.273) 9.508 5.472 ( -7.439 0.000 -18.828) 20.244 5.571 ( 4.325 -0.000 16.198) 16.765 5.581 ( -13.904 -0.000 11.161) 17.829 5.686 ( -0.095 0.000 -7.136) 7.136 5.910 ( -3.490 0.000 -14.771) 15.178 6.053 ( 5.907 -0.000 12.342) 13.683 6.446 ( -13.399 -0.000 5.649) 14.541 6.743 ( 9.713 0.000 -7.493) 12.267 6.791 ( -8.663 0.000 0.839) 8.704 6.989 ( -19.460 0.000 -4.525) 19.979 7.002 ( 15.840 -0.000 -1.622) 15.923 7.467 ( 23.675 -0.000 3.561) 23.941 7.814 ( -4.581 0.000 -3.206) 5.591 7.883 ( 1.840 -0.000 6.582) 6.834 9.436 ( -0.535 -0.000 3.294) 3.337 9.444 ( 0.233 0.000 -0.761) 0.796 9.821 ( -0.705 0.000 -1.793) 1.926 9.850 ( -3.174 0.000 -1.374) 3.459 9.954 ( 0.779 0.000 -0.272) 0.825 10.146 ( 13.181 -0.000 1.555) 13.272 10.912 ( -0.539 0.000 -5.731) 5.757 10.931 ( 1.531 -0.000 4.360) 4.621 15.004 ( -1.032 0.000 -6.933) 7.009 15.008 ( -0.647 -0.000 5.694) 5.731 16.283 ( -6.627 0.000 -7.438) 9.962 16.424 ( 6.382 -0.000 7.593) 9.919 ======================= Grid point 21 (22/135) ======================= q-point: (-0.43 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 8.176 -0.735 -10.922) 13.663 2.345 ( 16.933 -16.579 -2.057) 23.787 2.484 ( 6.345 -2.568 -2.953) 7.455 3.380 ( 11.371 4.611 1.507) 12.363 3.719 ( 1.091 4.550 -7.381) 8.739 3.751 ( 7.670 -5.337 -2.547) 9.685 4.139 ( -6.413 -6.250 0.177) 8.957 4.243 ( 0.056 -5.165 -12.471) 13.499 4.409 ( -6.069 15.615 -1.407) 16.812 4.545 ( 3.703 -4.818 -2.660) 6.634 4.761 ( -3.746 3.514 1.464) 5.341 5.280 ( 18.368 6.669 -1.691) 19.614 5.489 ( 19.302 9.155 1.024) 21.388 5.708 ( 2.207 -7.757 0.383) 8.074 6.083 ( 5.688 7.237 -2.646) 9.577 6.201 ( 1.506 -6.936 -2.976) 7.696 6.617 ( 3.654 5.220 2.019) 6.684 6.776 ( 4.447 -3.137 9.709) 11.131 7.030 ( 0.528 4.054 7.882) 8.879 7.373 ( -8.963 -1.118 -1.252) 9.119 7.566 ( -5.839 0.578 -3.169) 6.669 7.797 ( -16.503 -4.079 3.955) 17.454 7.934 ( -12.270 -6.573 10.682) 17.546 8.231 ( -3.738 11.288 4.902) 12.862 9.072 ( -0.232 3.023 -6.823) 7.466 9.414 ( 1.148 2.325 -3.078) 4.024 9.753 ( -6.916 -7.101 -4.648) 10.948 9.915 ( -2.741 -1.757 -1.353) 3.526 10.015 ( -3.912 3.378 -0.649) 5.209 10.162 ( -4.018 2.021 -0.041) 4.498 10.669 ( 1.975 -2.584 -0.565) 3.301 11.318 ( -3.312 -4.032 2.891) 5.965 14.881 ( 9.088 0.560 1.020) 9.162 15.711 ( 5.922 -6.610 8.045) 11.979 16.037 ( -4.902 -7.380 -1.098) 8.928 16.942 ( -5.413 11.892 8.175) 15.413 ======================= Grid point 22 (23/135) ======================= q-point: ( 0.17 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 12.675 17.629 18.639) 28.615 1.550 ( 14.282 9.540 21.254) 27.327 2.338 ( 19.611 12.844 25.739) 34.815 2.775 ( -3.261 -5.116 1.124) 6.170 3.577 ( 15.186 -3.643 4.709) 16.311 3.856 ( -2.457 -5.398 -6.735) 8.974 3.932 ( 7.457 -3.950 -4.464) 9.547 4.240 ( 1.391 0.031 12.469) 12.546 4.267 ( 8.172 -1.112 1.652) 8.411 4.478 ( 0.300 8.428 2.174) 8.710 5.184 ( -4.638 -11.692 2.932) 12.916 5.267 ( -4.900 -3.252 12.505) 13.819 5.431 ( -1.735 -10.499 6.761) 12.608 5.670 ( -3.931 3.515 2.633) 5.894 6.027 ( -2.148 9.936 -2.188) 10.399 6.143 ( 4.916 3.942 -6.125) 8.787 6.306 ( 4.935 -0.106 -10.129) 11.268 6.387 ( 4.636 -1.581 -5.611) 7.448 7.038 ( 1.362 -13.031 -10.904) 17.046 7.442 ( -5.605 8.193 -16.579) 19.324 7.585 ( -1.018 3.809 -4.186) 5.751 7.766 ( 5.986 5.122 0.786) 7.917 8.244 ( -11.119 -4.570 -2.125) 12.208 8.560 ( -2.165 -5.319 -1.770) 6.009 9.261 ( 0.686 -9.280 2.921) 9.753 9.545 ( -1.670 0.903 -1.824) 2.632 9.828 ( -1.738 13.434 2.023) 13.696 10.123 ( -4.173 6.428 -2.615) 8.097 10.377 ( 0.067 -7.843 4.507) 9.046 10.457 ( -5.156 -2.583 3.897) 6.960 10.605 ( -1.060 3.500 3.975) 5.401 11.687 ( -17.024 -8.205 1.824) 18.986 14.513 ( 5.963 0.612 3.183) 6.787 15.239 ( 1.513 1.483 -8.890) 9.139 16.109 ( -3.088 5.450 1.846) 6.531 16.566 ( 15.606 6.521 -12.223) 20.868 ======================= Grid point 23 (24/135) ======================= q-point: (-0.23 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -9.001 -12.469 -20.186) 25.376 1.996 ( -9.787 -7.145 -20.828) 24.097 2.695 ( 1.438 4.492 -4.585) 6.578 2.876 ( -10.991 -5.751 -10.200) 16.059 3.519 ( -6.445 10.552 9.134) 15.373 3.791 ( -11.574 -3.232 -0.117) 12.017 3.824 ( -5.590 3.698 5.501) 8.671 4.128 ( -10.347 1.688 5.923) 12.041 4.511 ( 0.746 -7.786 -1.306) 7.930 4.691 ( 2.628 -1.869 -18.440) 18.720 5.272 ( 6.915 12.974 -5.481) 15.690 5.530 ( 10.298 4.361 -6.292) 12.832 5.637 ( 1.001 8.491 -13.619) 16.081 5.782 ( 1.778 -4.829 -10.888) 12.043 5.937 ( -2.180 -4.992 13.097) 14.184 6.036 ( -3.126 -4.028 -1.938) 5.454 6.077 ( -5.223 -1.748 7.910) 9.639 6.272 ( -7.460 -1.684 5.264) 9.284 6.725 ( -1.194 0.848 20.307) 20.359 7.044 ( 3.785 5.806 15.187) 16.694 7.552 ( 0.959 -6.159 1.678) 6.456 7.746 ( -6.357 -7.457 3.011) 10.251 8.241 ( 12.435 5.492 -1.775) 13.709 8.542 ( 4.059 7.227 0.438) 8.300 9.326 ( -0.879 7.460 -3.425) 8.255 9.490 ( 0.876 0.090 3.256) 3.373 9.840 ( 1.547 -13.889 0.473) 13.983 10.065 ( 3.532 -4.928 2.604) 6.599 10.439 ( 2.181 3.251 -1.948) 4.372 10.509 ( 0.658 3.452 -1.376) 3.774 10.756 ( 2.133 -4.391 -9.682) 10.843 11.635 ( 13.160 8.164 6.168) 16.670 14.622 ( -4.210 -0.292 -7.329) 8.457 15.046 ( -1.152 1.253 9.213) 9.369 16.126 ( 2.602 -9.445 0.677) 9.820 16.457 ( -8.544 1.577 -0.810) 8.726 ======================= Grid point 24 (25/135) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -10.719 2.201 -0.000) 10.942 2.326 ( -21.072 16.472 -0.000) 26.746 2.452 ( -1.748 3.064 -0.000) 3.527 3.422 ( -17.675 -2.032 -0.000) 17.791 3.564 ( -0.011 -5.399 0.000) 5.399 3.759 ( -6.019 5.044 -0.000) 7.853 4.080 ( 0.685 2.378 0.000) 2.475 4.164 ( 8.421 8.086 0.000) 11.675 4.404 ( 5.918 -17.557 0.000) 18.528 4.516 ( -2.764 4.486 -0.000) 5.269 4.780 ( 2.279 -1.077 0.000) 2.520 5.263 ( -17.861 -7.504 -0.000) 19.373 5.496 ( -19.617 -7.821 -0.000) 21.119 5.720 ( -2.076 5.072 -0.000) 5.481 6.053 ( -5.616 -7.814 -0.000) 9.622 6.166 ( -1.778 7.105 -0.000) 7.324 6.639 ( -3.590 -4.546 -0.000) 5.792 6.887 ( -5.555 2.934 -0.000) 6.282 7.123 ( -1.306 -4.659 -0.000) 4.838 7.351 ( 9.807 0.885 0.000) 9.846 7.511 ( 6.533 -0.261 0.000) 6.539 7.851 ( 17.623 4.860 0.000) 18.281 8.061 ( 14.862 4.738 0.000) 15.599 8.297 ( 3.798 -9.613 0.000) 10.336 8.980 ( 0.154 -2.686 0.000) 2.691 9.372 ( -2.302 -1.686 -0.000) 2.853 9.700 ( 6.187 6.208 0.000) 8.765 9.898 ( -0.122 0.848 -0.000) 0.857 10.011 ( 5.218 -1.855 0.000) 5.538 10.163 ( 3.657 -2.296 0.000) 4.318 10.664 ( -2.057 2.707 -0.000) 3.400 11.349 ( 2.943 4.759 0.000) 5.596 14.893 ( -9.760 -0.862 -0.000) 9.798 15.796 ( -5.933 6.354 -0.000) 8.693 16.028 ( 4.945 8.718 0.000) 10.023 17.037 ( 7.804 -13.952 0.000) 15.987 ======================= Grid point 25 (26/135) ======================= q-point: (-0.03 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.011 -0.000 8.222) 9.148 2.679 ( 7.063 -0.000 0.672) 7.095 3.025 ( 11.186 -0.000 12.658) 16.892 3.547 ( -3.202 0.000 -2.016) 3.784 3.590 ( 0.702 0.000 -5.965) 6.006 3.606 ( -6.058 0.000 -3.730) 7.114 4.146 ( -5.606 0.000 0.425) 5.622 4.301 ( -4.012 0.000 -0.261) 4.021 5.026 ( 13.035 -0.000 3.978) 13.629 5.067 ( 4.261 -0.000 17.814) 18.317 5.151 ( -9.393 -0.000 13.758) 16.659 5.532 ( 0.945 -0.000 18.689) 18.713 5.542 ( -3.928 -0.000 1.534) 4.217 5.832 ( 21.076 0.000 -10.413) 23.508 5.999 ( -3.022 0.000 -19.048) 19.286 6.340 ( -4.284 0.000 -9.717) 10.619 6.507 ( 20.485 -0.000 1.013) 20.510 6.603 ( -13.305 -0.000 3.707) 13.812 6.864 ( 10.068 0.000 -8.576) 13.225 6.997 ( -15.615 0.000 -1.127) 15.656 7.034 ( 11.598 0.000 -5.855) 12.992 7.565 ( -17.900 0.000 -4.920) 18.563 7.723 ( 1.375 -0.000 5.354) 5.528 8.011 ( -5.907 0.000 -5.925) 8.366 9.401 ( -2.877 -0.000 3.472) 4.509 9.483 ( -1.760 0.000 -1.197) 2.128 9.776 ( 8.950 -0.000 5.236) 10.369 9.798 ( 0.393 -0.000 0.300) 0.494 9.978 ( -4.665 0.000 -2.234) 5.173 10.151 ( -10.824 0.000 1.110) 10.881 10.813 ( 2.244 -0.000 3.580) 4.226 11.030 ( -0.438 0.000 -4.884) 4.903 14.920 ( 2.471 -0.000 1.170) 2.734 15.179 ( 1.846 0.000 -10.160) 10.326 16.138 ( 5.841 -0.000 6.134) 8.470 16.608 ( -6.232 0.000 -9.711) 11.539 ======================= Grid point 26 (27/135) ======================= q-point: (-0.44 0.19 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 10.863 -6.469 -16.371) 20.684 2.118 ( 15.946 -18.837 -11.352) 27.165 2.505 ( -3.905 0.907 -0.433) 4.032 3.132 ( 16.309 -5.990 -7.808) 19.048 3.596 ( 3.217 4.131 6.526) 8.367 3.862 ( 2.467 5.365 -5.456) 8.040 4.061 ( 16.011 0.708 -3.740) 16.457 4.384 ( 9.021 -5.612 -9.347) 14.150 4.544 ( 12.164 6.078 -6.688) 15.154 4.628 ( -4.316 -11.407 -3.656) 12.732 4.810 ( -3.002 9.500 1.767) 10.118 5.049 ( -3.858 6.820 -7.983) 11.186 5.243 ( 6.537 12.673 -6.096) 15.508 5.718 ( -0.657 -6.725 -3.108) 7.437 6.046 ( 4.386 6.814 -2.629) 8.519 6.300 ( -1.242 -1.262 -0.930) 2.001 6.426 ( 3.959 -4.523 13.572) 14.843 6.483 ( 3.254 -2.345 3.533) 5.345 6.815 ( 0.684 8.912 10.339) 13.667 7.475 ( -6.801 -7.574 14.657) 17.845 7.593 ( -2.261 0.363 3.157) 3.900 7.876 ( -0.863 0.014 2.147) 2.314 7.979 ( -7.328 1.986 2.388) 7.959 8.298 ( -10.888 5.544 4.775) 13.118 9.175 ( 1.520 2.811 -4.712) 5.693 9.496 ( -2.572 1.399 -0.052) 2.928 9.959 ( -4.386 -6.418 -1.524) 7.922 10.103 ( -7.877 -3.944 2.062) 9.048 10.155 ( -3.440 8.682 -9.221) 13.124 10.312 ( -7.705 -2.344 -3.265) 8.690 10.673 ( 0.503 -3.889 -3.637) 5.348 11.357 ( -7.684 0.157 3.656) 8.511 14.686 ( 8.730 -0.037 -1.630) 8.881 15.375 ( 4.259 -5.343 12.485) 14.233 16.150 ( -1.960 -4.521 -2.522) 5.536 16.752 ( 0.637 3.536 12.821) 13.315 ======================= Grid point 27 (28/135) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 21.713 20.380) 29.779 0.897 ( 0.000 20.573 22.532) 30.512 1.395 ( 0.000 37.082 29.070) 47.119 2.824 ( -0.000 -7.608 -0.051) 7.609 3.261 ( -0.000 -5.417 9.328) 10.786 3.824 ( 0.000 -0.386 14.214) 14.219 3.851 ( -0.000 -4.958 -1.938) 5.323 4.084 ( -0.000 -5.210 -6.889) 8.637 4.302 ( -0.000 -5.156 -3.694) 6.343 4.439 ( 0.000 11.907 1.566) 12.009 5.079 ( 0.000 -2.335 9.046) 9.342 5.133 ( -0.000 -9.639 2.563) 9.974 5.491 ( -0.000 -11.728 -4.618) 12.605 5.633 ( 0.000 1.977 3.541) 4.056 6.176 ( -0.000 -8.028 -6.186) 10.135 6.240 ( 0.000 26.209 -11.055) 28.445 6.297 ( -0.000 -1.990 -2.047) 2.855 6.483 ( -0.000 -0.902 -2.815) 2.955 7.214 ( -0.000 -11.591 -9.140) 14.761 7.556 ( 0.000 0.223 6.204) 6.208 7.622 ( 0.000 6.408 0.758) 6.453 7.945 ( 0.000 13.367 -15.430) 20.414 8.423 ( -0.000 -12.166 -4.093) 12.835 8.626 ( 0.000 2.858 -3.446) 4.477 9.192 ( -0.000 -9.828 2.499) 10.140 9.597 ( 0.000 0.220 -0.420) 0.474 9.766 ( 0.000 13.260 4.860) 14.123 10.203 ( -0.000 -15.417 13.183) 20.285 10.218 ( 0.000 7.615 -1.009) 7.681 10.451 ( -0.000 -2.121 2.038) 2.941 10.618 ( 0.000 1.849 -0.839) 2.031 11.828 ( -0.000 -18.703 11.435) 21.922 14.383 ( 0.000 -0.692 1.657) 1.796 15.382 ( 0.000 3.931 -6.109) 7.265 16.049 ( 0.000 -1.056 3.797) 3.941 16.767 ( 0.000 36.627 -35.032) 50.683 ======================= Grid point 28 (29/135) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -4.347 -2.878 -7.097) 8.806 2.495 ( -2.606 -3.037 -9.213) 10.044 2.776 ( -8.897 6.722 -9.256) 14.492 3.241 ( -7.445 6.645 2.851) 10.379 3.445 ( -5.804 0.038 3.401) 6.727 3.748 ( -1.005 2.244 4.445) 5.080 4.222 ( -22.964 -5.860 3.788) 24.000 4.398 ( -11.829 -7.923 -0.439) 14.244 4.514 ( -8.404 1.513 2.840) 8.999 4.737 ( 7.648 -4.653 -0.182) 8.954 5.166 ( 4.184 6.402 0.889) 7.699 5.492 ( -0.567 -3.937 18.853) 19.268 5.612 ( 0.818 11.314 -11.757) 16.338 5.771 ( 3.215 -3.573 1.388) 5.003 6.025 ( -1.117 -1.439 -2.921) 3.443 6.142 ( 1.167 -1.837 1.718) 2.773 6.195 ( -1.425 -3.960 2.672) 4.985 6.399 ( -9.858 0.899 0.200) 9.901 6.472 ( -4.772 1.324 -12.210) 13.176 6.769 ( 0.508 3.232 4.006) 5.172 7.547 ( -3.505 -0.643 1.874) 4.026 7.775 ( -5.041 -6.135 5.444) 9.628 7.955 ( 19.377 1.974 -3.223) 19.742 8.323 ( 13.232 5.972 2.379) 14.711 9.386 ( -0.018 2.694 2.796) 3.883 9.435 ( -0.596 2.199 -0.988) 2.484 9.798 ( 0.956 -10.813 -0.249) 10.859 9.945 ( 3.881 -3.068 0.608) 4.984 10.334 ( 8.826 1.825 0.527) 9.028 10.530 ( 3.252 3.782 -2.335) 5.507 10.926 ( 1.850 -2.198 -10.179) 10.577 11.194 ( 12.419 4.143 8.233) 15.466 14.882 ( -3.441 0.724 -2.099) 4.095 14.936 ( -3.833 0.020 -1.476) 4.107 16.125 ( -2.118 -6.099 -1.557) 6.641 16.551 ( 0.969 4.206 -0.230) 4.322 ======================= Grid point 29 (30/135) ======================= q-point: ( 0.36 -0.48 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.084 -3.948 -7.458) 8.439 2.605 ( -10.192 8.522 -1.900) 13.421 2.752 ( -11.606 4.929 -3.485) 13.082 3.500 ( -3.138 -5.142 1.387) 6.182 3.705 ( 0.929 -1.642 -5.703) 6.007 3.852 ( 15.462 2.034 -1.004) 15.628 3.914 ( -3.460 1.816 0.796) 3.988 4.275 ( -4.282 3.368 -15.218) 16.164 4.357 ( 1.133 -7.286 -0.898) 7.428 4.617 ( -1.830 0.996 -4.626) 5.073 4.708 ( 1.085 -3.217 3.830) 5.118 5.441 ( 0.473 0.551 -2.122) 2.243 5.698 ( 0.750 7.705 -2.474) 8.127 5.867 ( -7.212 -10.643 -1.199) 12.912 6.315 ( -19.871 1.691 3.210) 20.200 6.471 ( -16.768 10.460 -0.910) 19.784 6.685 ( -3.496 -9.206 2.310) 10.115 6.777 ( 8.293 0.845 9.449) 12.601 6.983 ( 6.776 -1.219 2.063) 7.187 7.156 ( 4.549 -0.929 0.665) 4.690 7.338 ( 18.591 1.802 4.120) 19.127 7.512 ( 1.103 0.063 -3.836) 3.992 7.785 ( 3.448 2.803 8.095) 9.234 8.165 ( 2.997 -5.663 4.889) 8.059 9.059 ( 0.803 -1.796 -6.937) 7.211 9.498 ( -5.677 -2.411 -1.676) 6.391 9.605 ( 6.140 4.892 -4.476) 9.037 9.868 ( 1.368 0.527 1.734) 2.271 9.958 ( 1.720 -1.569 -1.461) 2.748 10.095 ( 2.143 -0.499 0.361) 2.230 10.707 ( -1.510 0.132 -0.448) 1.580 11.279 ( 0.283 2.077 3.356) 3.957 15.022 ( -3.415 0.066 2.058) 3.988 15.837 ( -4.541 6.990 9.457) 12.606 15.954 ( 0.797 1.623 -2.472) 3.063 16.823 ( 5.612 -7.668 5.218) 10.841 ======================= Grid point 30 (31/135) ======================= q-point: (-0.04 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 14.911 -0.000 7.030) 16.485 2.222 ( 18.016 -0.000 14.120) 22.890 2.601 ( 0.521 -0.000 8.157) 8.174 3.457 ( 22.949 -0.000 3.879) 23.275 3.725 ( -6.726 0.000 -3.797) 7.724 3.810 ( -7.069 0.000 -3.817) 8.033 4.201 ( -1.531 -0.000 15.067) 15.145 4.203 ( -2.277 -0.000 2.889) 3.679 4.550 ( 15.959 -0.000 11.390) 19.606 4.939 ( -8.144 0.000 0.956) 8.200 5.156 ( -8.700 0.000 0.882) 8.745 5.186 ( 6.802 -0.000 1.907) 7.064 5.450 ( 20.434 -0.000 0.753) 20.448 5.613 ( -3.860 -0.000 1.588) 4.174 5.938 ( 18.387 -0.000 7.259) 19.768 6.333 ( -1.901 0.000 -2.649) 3.260 6.426 ( 5.000 0.000 -10.396) 11.536 6.813 ( 11.412 0.000 -5.522) 12.678 6.972 ( -10.505 0.000 -10.056) 14.542 7.249 ( -1.696 0.000 -19.476) 19.550 7.452 ( -21.578 0.000 -1.679) 21.644 7.595 ( 0.757 -0.000 4.729) 4.789 7.812 ( -5.767 -0.000 3.265) 6.627 8.350 ( -9.440 0.000 -8.180) 12.491 9.394 ( -4.048 -0.000 4.743) 6.236 9.487 ( 4.403 -0.000 3.297) 5.500 9.572 ( -3.002 -0.000 1.582) 3.394 9.847 ( -3.608 0.000 -0.745) 3.684 10.161 ( -7.576 0.000 -1.014) 7.644 10.286 ( -8.189 -0.000 5.550) 9.893 10.680 ( 4.136 -0.000 2.398) 4.781 11.152 ( -4.605 0.000 -1.570) 4.865 14.821 ( 7.495 -0.000 -0.899) 7.549 15.338 ( 3.561 0.000 -9.854) 10.478 15.962 ( 0.568 -0.000 3.461) 3.507 16.939 ( -1.742 0.000 -13.585) 13.696 ======================= Grid point 31 (32/135) ======================= q-point: (-0.44 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.096 -12.625 -14.515) 19.901 2.200 ( 6.960 -15.650 -19.106) 25.659 2.603 ( -4.372 3.882 1.226) 5.974 3.009 ( 9.318 -5.180 -4.178) 11.451 3.336 ( 6.588 5.676 6.054) 10.596 3.684 ( 7.570 9.372 6.320) 13.604 3.851 ( 11.448 -2.227 -3.968) 12.319 4.068 ( 14.674 4.684 4.300) 15.993 4.705 ( -3.166 -9.096 -8.280) 12.701 4.772 ( 0.676 -8.823 -13.022) 15.744 4.995 ( -5.260 15.622 -4.094) 16.985 5.412 ( 0.191 10.894 -16.567) 19.828 5.440 ( -11.881 6.238 -3.312) 13.822 5.871 ( 1.567 -2.901 -12.119) 12.559 5.952 ( 3.997 2.001 4.747) 6.520 6.056 ( 4.325 -4.675 9.581) 11.504 6.232 ( 2.865 -1.943 4.620) 5.773 6.368 ( 0.990 -11.611 3.091) 12.056 6.603 ( 0.931 11.171 7.846) 13.683 6.998 ( -1.073 -1.522 28.990) 29.049 7.703 ( -3.526 -6.320 -1.102) 7.320 7.833 ( 1.511 0.875 1.012) 2.018 8.123 ( -4.851 4.200 -3.857) 7.486 8.393 ( -6.093 5.658 4.337) 9.378 9.253 ( 0.651 0.750 -5.273) 5.366 9.488 ( -1.207 0.167 4.137) 4.313 10.043 ( -2.668 -5.827 -0.166) 6.411 10.155 ( -3.674 -1.483 3.179) 5.080 10.357 ( -0.924 3.484 -4.905) 6.087 10.471 ( -2.767 -1.207 1.551) 3.394 10.869 ( -3.387 -7.279 -11.055) 13.663 11.456 ( -8.676 9.423 6.288) 14.269 14.627 ( 4.733 -0.310 -7.008) 8.462 15.046 ( 2.188 -1.486 11.748) 12.042 16.250 ( -0.765 -0.084 -5.224) 5.281 16.476 ( 2.544 -5.775 8.590) 10.659 ======================= Grid point 32 (33/135) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -22.294 13.767 -0.000) 26.202 0.959 ( -23.840 22.962 -0.000) 33.100 1.595 ( -40.500 33.889 -0.000) 52.808 2.759 ( 5.921 -7.116 0.000) 9.257 3.289 ( -16.620 -2.255 -0.000) 16.773 3.691 ( -2.443 1.305 -0.000) 2.770 4.017 ( -0.887 -7.495 0.000) 7.547 4.148 ( -1.633 -6.259 -0.000) 6.468 4.402 ( 1.780 11.405 -0.000) 11.543 4.461 ( -11.598 -10.207 -0.000) 15.450 4.946 ( 2.245 -0.419 0.000) 2.283 5.142 ( -3.843 -9.183 -0.000) 9.955 5.337 ( 13.566 -12.216 0.000) 18.256 5.586 ( -0.819 3.512 -0.000) 3.606 6.267 ( 7.973 25.357 0.000) 26.581 6.286 ( 1.752 -13.768 0.000) 13.879 6.474 ( -4.730 -9.032 -0.000) 10.196 6.590 ( -4.503 -0.856 -0.000) 4.583 7.404 ( 0.198 2.207 -0.000) 2.216 7.410 ( 1.299 -15.590 0.000) 15.644 7.629 ( -1.163 5.147 -0.000) 5.277 8.133 ( 2.216 5.679 0.000) 6.096 8.504 ( 6.443 -4.091 0.000) 7.632 8.661 ( 1.942 -1.500 0.000) 2.453 9.143 ( 1.723 -9.150 0.000) 9.311 9.494 ( 4.149 -2.009 0.000) 4.610 9.699 ( 0.594 9.402 -0.000) 9.420 9.849 ( -0.597 2.140 -0.000) 2.222 10.198 ( 2.791 5.811 0.000) 6.446 10.387 ( 3.702 -2.253 0.000) 4.333 10.530 ( 2.310 4.537 0.000) 5.091 11.425 ( 7.393 8.114 0.000) 10.977 14.469 ( -7.578 0.500 -0.000) 7.594 15.480 ( -2.384 5.052 -0.000) 5.586 16.057 ( -0.189 1.243 -0.000) 1.258 17.556 ( 2.712 -10.038 0.000) 10.398 ======================= Grid point 33 (34/135) ======================= q-point: ( 0.75 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.130 4.660 5.445) 7.168 2.608 ( -5.059 -1.634 -2.128) 5.726 3.209 ( -1.134 9.772 3.154) 10.331 3.269 ( -10.925 8.723 -3.523) 14.417 3.477 ( -2.190 -5.608 -2.926) 6.694 3.716 ( 2.710 -3.954 -0.743) 4.851 4.250 ( 9.962 -1.787 6.097) 11.816 4.435 ( 2.994 -4.399 -3.336) 6.280 4.575 ( -12.826 -8.746 13.305) 20.445 4.991 ( -21.748 0.760 4.779) 22.280 5.122 ( -4.664 -4.395 13.942) 15.344 5.283 ( -14.367 7.957 5.642) 17.365 5.521 ( 2.982 8.958 13.585) 16.544 5.706 ( -1.253 -10.654 -2.433) 11.000 6.018 ( -2.646 -9.167 3.573) 10.189 6.148 ( -3.996 3.560 2.106) 5.751 6.253 ( -1.827 -0.552 -13.628) 13.761 6.625 ( -5.549 1.404 -5.079) 7.653 6.819 ( -2.778 6.807 -3.729) 8.244 7.077 ( -1.970 1.950 -25.265) 25.416 7.516 ( 13.573 1.448 -0.440) 13.657 7.644 ( 3.340 -2.168 1.688) 4.324 7.769 ( -4.373 -4.216 2.360) 6.517 7.924 ( 20.864 2.893 0.647) 21.074 9.310 ( -1.586 0.286 5.400) 5.635 9.425 ( 0.056 -0.651 1.781) 1.897 9.839 ( -1.293 -3.432 -2.075) 4.214 9.899 ( 1.150 -2.527 -1.400) 3.110 10.083 ( 10.156 0.751 2.224) 10.424 10.363 ( 13.396 4.013 2.736) 14.250 10.875 ( 2.764 1.951 4.745) 5.827 11.092 ( 2.417 -0.170 -9.068) 9.386 14.881 ( -4.239 0.523 2.685) 5.045 15.236 ( -1.451 -1.709 -13.746) 13.928 16.277 ( -5.926 -0.519 -3.194) 6.752 16.449 ( 7.346 1.746 -0.412) 7.562 ======================= Grid point 34 (35/135) ======================= q-point: (-0.65 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.873 -2.388 -10.023) 10.340 2.758 ( 3.853 -0.407 -1.222) 4.062 2.917 ( 1.150 -6.863 -4.969) 8.550 3.408 ( 9.482 1.341 0.226) 9.579 3.709 ( -0.756 2.548 3.395) 4.311 3.876 ( 2.744 1.661 2.167) 3.871 3.903 ( -11.891 2.852 -3.879) 12.829 4.484 ( 2.227 2.284 -15.100) 15.434 4.513 ( -0.715 0.804 3.614) 3.771 4.782 ( -0.325 -5.279 -15.034) 15.937 4.812 ( -0.261 -5.001 -14.091) 14.955 5.469 ( 4.110 5.533 -4.206) 8.074 5.627 ( 11.812 10.156 -0.547) 15.587 5.987 ( 2.026 -8.989 -2.982) 9.685 6.179 ( 13.170 4.314 6.024) 15.111 6.420 ( 14.948 9.892 1.690) 18.004 6.544 ( -6.515 -1.473 12.572) 14.236 6.668 ( -2.510 -7.436 6.653) 10.289 6.878 ( 8.417 -2.298 4.544) 9.837 7.140 ( -9.381 -0.932 0.941) 9.475 7.345 ( -25.244 -4.783 2.653) 25.829 7.551 ( 0.822 0.169 9.256) 9.294 7.606 ( -2.388 2.118 -2.136) 3.841 7.978 ( 3.217 2.109 5.500) 6.712 9.207 ( 0.672 0.179 -7.808) 7.839 9.476 ( 4.695 2.628 -1.003) 5.473 9.808 ( -7.598 -3.203 -5.506) 9.915 9.855 ( -3.335 -0.341 0.260) 3.362 9.943 ( -0.723 0.465 0.156) 0.873 10.075 ( -1.068 1.412 -0.073) 1.772 10.748 ( -0.527 -1.869 -1.625) 2.532 11.196 ( -2.099 -0.351 6.365) 6.711 14.968 ( 3.238 0.864 1.618) 3.721 15.600 ( 0.947 2.342 14.352) 14.572 16.094 ( -5.689 -4.832 -3.323) 8.171 16.609 ( 2.774 1.785 6.529) 7.315 ======================= Grid point 35 (36/135) ======================= q-point: (-0.05 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 27.529 -0.000 8.385) 28.778 1.430 ( 22.570 -0.000 18.518) 29.194 2.511 ( 45.666 -0.000 11.398) 47.067 2.660 ( -9.766 0.000 0.956) 9.813 3.840 ( -0.413 -0.000 11.083) 11.090 3.864 ( 21.273 -0.000 8.797) 23.020 3.994 ( -5.665 0.000 -1.758) 5.932 4.040 ( -5.445 0.000 -3.219) 6.325 4.269 ( -0.984 0.000 0.073) 0.987 4.845 ( 15.278 0.000 -3.482) 15.669 5.036 ( 3.864 -0.000 5.389) 6.631 5.337 ( 2.892 0.000 -3.539) 4.570 5.390 ( -8.443 0.000 -3.298) 9.064 5.601 ( -3.065 -0.000 2.833) 4.174 5.614 ( -1.888 -0.000 3.970) 4.396 6.341 ( -1.141 0.000 -0.883) 1.442 6.558 ( 4.834 0.000 -7.123) 8.609 6.698 ( 8.769 0.000 -5.217) 10.203 7.359 ( -6.701 0.000 -8.342) 10.700 7.455 ( 1.436 -0.000 3.637) 3.910 7.693 ( -2.398 -0.000 6.827) 7.236 7.778 ( -4.107 0.000 -20.582) 20.988 7.993 ( -15.818 0.000 -3.689) 16.242 8.640 ( -4.601 0.000 -4.114) 6.172 9.351 ( -3.364 -0.000 6.779) 7.567 9.395 ( -2.875 -0.000 2.956) 4.124 9.611 ( -1.785 -0.000 0.796) 1.954 9.930 ( -5.656 -0.000 3.695) 6.756 10.258 ( -3.541 -0.000 8.543) 9.248 10.316 ( -6.072 0.000 0.073) 6.072 10.549 ( 4.593 -0.000 1.034) 4.708 11.265 ( -7.874 -0.000 4.344) 8.993 14.637 ( 10.111 -0.000 -0.099) 10.111 15.431 ( 3.730 0.000 -6.008) 7.072 15.960 ( -3.520 -0.000 0.662) 3.582 17.281 ( 3.841 0.000 -22.201) 22.531 ======================= Grid point 36 (37/135) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.000 -9.798 -12.199) 15.647 2.509 ( -0.000 -2.925 -6.116) 6.779 2.620 ( -0.000 1.085 -6.971) 7.055 2.789 ( 0.000 10.371 14.389) 17.737 3.249 ( -0.000 -9.156 -5.175) 10.518 3.478 ( 0.000 12.326 6.610) 13.987 3.742 ( -0.000 -5.069 -0.153) 5.071 3.816 ( 0.000 3.033 3.253) 4.448 4.767 ( -0.000 -14.916 0.137) 14.917 5.018 ( 0.000 7.645 -0.725) 7.679 5.282 ( -0.000 4.589 -18.898) 19.447 5.348 ( 0.000 8.777 20.675) 22.461 5.621 ( -0.000 -9.428 20.057) 22.162 5.804 ( 0.000 9.105 -16.955) 19.245 6.030 ( -0.000 -0.403 -11.164) 11.171 6.034 ( 0.000 -0.446 10.195) 10.205 6.263 ( -0.000 -8.752 -6.959) 11.181 6.296 ( 0.000 -1.508 21.387) 21.440 6.383 ( -0.000 -5.532 -21.051) 21.766 6.605 ( 0.000 13.099 5.120) 14.064 7.747 ( -0.000 -8.903 3.154) 9.445 7.751 ( -0.000 -8.476 1.937) 8.694 8.317 ( 0.000 6.231 -7.327) 9.618 8.346 ( 0.000 9.278 5.664) 10.870 9.374 ( -0.000 -0.221 -6.422) 6.425 9.393 ( 0.000 1.320 5.572) 5.727 10.075 ( -0.000 -9.130 0.318) 9.136 10.132 ( -0.000 -2.366 2.443) 3.401 10.443 ( 0.000 2.521 1.540) 2.954 10.462 ( 0.000 3.763 -4.492) 5.860 11.156 ( -0.000 -9.493 -10.709) 14.311 11.363 ( 0.000 11.458 11.247) 16.056 14.783 ( -0.000 0.627 -11.744) 11.761 14.787 ( 0.000 1.184 10.337) 10.404 16.269 ( -0.000 -9.824 7.117) 12.130 16.435 ( 0.000 7.087 -9.315) 11.704 ======================= Grid point 37 (38/135) ======================= q-point: ( 0.15 -0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -20.461 5.355 -17.252) 27.294 1.577 ( -24.341 14.992 -7.633) 29.589 2.547 ( -9.692 -0.653 -1.304) 9.801 2.696 ( -22.360 8.514 -9.598) 25.780 3.743 ( -8.303 -6.345 -11.118) 15.258 3.845 ( 4.291 -6.909 3.631) 8.907 3.961 ( -10.262 3.424 -8.831) 13.965 4.129 ( 1.795 4.300 1.835) 5.008 4.368 ( 1.942 8.982 -0.614) 9.210 4.741 ( -16.182 -11.047 3.211) 19.854 4.961 ( 5.367 -5.751 -5.277) 9.473 5.102 ( 0.856 -10.602 0.990) 10.682 5.344 ( -8.216 -8.054 -4.037) 12.192 5.592 ( 1.559 4.416 0.849) 4.759 5.982 ( 7.883 19.320 2.757) 21.048 6.259 ( 0.710 -6.732 -0.906) 6.829 6.575 ( -5.857 0.413 5.630) 8.135 6.639 ( -8.212 -4.449 4.904) 10.549 7.233 ( 3.513 -12.028 8.047) 14.892 7.444 ( 1.721 0.900 -1.949) 2.752 7.665 ( 3.271 1.751 -1.401) 3.966 7.902 ( 3.308 6.575 9.553) 12.060 8.081 ( 15.397 6.985 9.117) 19.208 8.550 ( 4.751 -8.577 3.984) 10.583 9.190 ( 1.080 -8.391 -4.941) 9.798 9.477 ( 3.962 0.863 -3.701) 5.490 9.705 ( 3.367 8.975 -3.468) 10.194 9.960 ( 6.252 2.294 -5.788) 8.823 10.177 ( 2.593 -5.629 -4.836) 7.861 10.302 ( 4.796 -2.141 -0.320) 5.262 10.563 ( -2.823 2.293 -1.190) 3.827 11.327 ( 7.207 4.907 -1.738) 8.890 14.661 ( -10.022 1.541 0.136) 10.141 15.478 ( -4.160 4.792 6.712) 9.237 16.014 ( 3.964 4.889 -0.912) 6.360 17.204 ( -1.691 -7.178 19.116) 20.489 ======================= Grid point 38 (39/135) ======================= q-point: (-0.25 0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 1.470 4.580 8.103) 9.423 2.735 ( 0.178 -1.472 2.783) 3.153 3.029 ( 7.388 2.860 5.786) 9.810 3.426 ( -9.632 3.510 0.377) 10.259 3.636 ( 2.545 -4.777 -3.063) 6.219 3.813 ( 0.039 -3.595 -6.509) 7.436 3.910 ( -0.300 4.254 7.363) 8.509 4.302 ( -0.901 -11.288 8.678) 14.266 4.651 ( -5.441 8.858 2.607) 10.717 4.800 ( -0.220 -0.055 11.222) 11.224 4.994 ( 5.367 9.305 14.370) 17.941 5.327 ( -0.779 -8.247 5.049) 9.701 5.445 ( -11.166 -8.112 1.754) 13.912 6.110 ( -20.947 -2.379 -5.788) 21.862 6.142 ( -3.045 5.994 3.125) 7.414 6.262 ( -18.439 -5.452 -2.717) 19.419 6.507 ( 8.419 -3.706 -10.931) 14.286 6.800 ( 6.250 5.254 -6.311) 10.320 6.929 ( -1.397 1.663 -2.907) 3.629 7.160 ( 7.932 1.194 -2.248) 8.330 7.441 ( 25.044 4.826 -4.301) 25.865 7.546 ( -0.760 -0.364 -10.447) 10.481 7.573 ( -1.216 -1.077 5.654) 5.883 7.954 ( -7.975 -0.802 -6.586) 10.374 9.210 ( -1.913 0.280 7.174) 7.430 9.430 ( -4.008 -1.897 1.470) 4.671 9.849 ( 6.997 1.026 3.519) 7.899 9.855 ( 3.607 -0.182 0.024) 3.612 9.949 ( -1.236 0.877 0.959) 1.794 10.048 ( 3.234 -1.258 0.282) 3.482 10.789 ( 1.471 1.958 1.391) 2.817 11.196 ( 3.306 -0.245 -6.377) 7.187 14.950 ( -2.895 -0.775 -1.309) 3.270 15.522 ( 1.839 -4.364 -12.849) 13.694 16.179 ( 9.651 3.298 2.338) 10.464 16.607 ( -8.787 0.993 -7.194) 11.400 ======================= Grid point 39 (40/135) ======================= q-point: (-0.65 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.251 -0.934 -7.924) 7.983 2.600 ( 5.760 -2.627 1.564) 6.522 2.932 ( 9.250 -14.238 -8.723) 19.089 3.220 ( 8.229 0.918 6.447) 10.494 3.591 ( 1.506 5.515 1.313) 5.865 3.771 ( -0.245 1.978 3.928) 4.405 4.314 ( -13.460 2.543 -4.273) 14.349 4.470 ( -2.851 1.462 2.052) 3.804 4.743 ( 8.134 5.468 -14.719) 17.684 4.988 ( 14.900 0.812 -8.686) 17.266 5.136 ( 7.988 -7.301 -12.156) 16.275 5.199 ( 15.164 1.845 -4.144) 15.828 5.432 ( 7.215 3.020 -9.282) 12.138 5.847 ( -1.669 1.642 3.309) 4.054 6.095 ( 4.000 0.401 -1.854) 4.427 6.235 ( 2.734 9.866 -0.667) 10.259 6.258 ( 2.391 2.677 8.736) 9.445 6.575 ( -1.322 -7.135 7.095) 10.149 6.633 ( 5.772 -7.840 3.334) 10.291 7.024 ( 1.096 -3.516 22.346) 22.647 7.527 ( -7.787 2.142 -0.991) 8.137 7.678 ( -10.159 -0.886 3.456) 10.768 7.815 ( -6.726 1.105 -3.190) 7.526 7.906 ( -8.573 2.930 0.593) 9.079 9.311 ( 2.651 0.325 -5.202) 5.848 9.439 ( 0.298 0.910 0.172) 0.973 9.905 ( -2.756 2.475 0.796) 3.789 9.949 ( -3.751 1.169 1.033) 4.062 10.086 ( -6.706 2.588 -3.733) 8.100 10.261 ( -11.542 -6.124 -1.897) 13.203 10.827 ( -1.744 -2.804 -5.135) 6.105 11.097 ( -3.358 0.371 8.286) 8.948 14.880 ( 5.176 0.424 -2.816) 5.908 15.246 ( 3.506 -1.131 13.561) 14.053 16.259 ( -1.268 -3.279 -3.461) 4.933 16.448 ( -1.976 2.859 6.519) 7.388 ======================= Grid point 40 (41/135) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 28.388 0.000 0.000) 28.388 0.670 ( 31.511 0.000 0.000) 31.511 1.239 ( 57.362 0.000 0.000) 57.362 2.840 ( -6.734 -0.000 -0.000) 6.734 3.311 ( 18.035 0.000 0.000) 18.035 3.678 ( 0.988 0.000 0.000) 0.988 4.128 ( 0.937 0.000 0.000) 0.937 4.156 ( -4.333 -0.000 -0.000) 4.333 4.278 ( -0.498 -0.000 -0.000) 0.498 4.669 ( 7.498 0.000 0.000) 7.498 4.950 ( -2.194 -0.000 -0.000) 2.194 5.243 ( 3.125 0.000 0.000) 3.125 5.543 ( 0.866 0.000 0.000) 0.866 5.608 ( -5.883 -0.000 -0.000) 5.883 5.747 ( -4.428 -0.000 -0.000) 4.428 6.431 ( -3.168 -0.000 -0.000) 3.168 6.511 ( 4.262 0.000 0.000) 4.262 6.696 ( 1.262 0.000 0.000) 1.262 7.373 ( 0.730 0.000 0.000) 0.730 7.575 ( 1.572 0.000 0.000) 1.572 7.584 ( -2.771 -0.000 -0.000) 2.771 8.244 ( -6.036 -0.000 -0.000) 6.036 8.356 ( -13.434 -0.000 -0.000) 13.434 8.711 ( 1.776 0.000 0.000) 1.776 9.287 ( -2.510 -0.000 -0.000) 2.510 9.457 ( -5.104 -0.000 -0.000) 5.104 9.615 ( 0.426 0.000 0.000) 0.426 9.825 ( 1.130 0.000 0.000) 1.130 10.157 ( 1.105 0.000 0.000) 1.105 10.413 ( -2.759 -0.000 -0.000) 2.759 10.456 ( 2.422 0.000 0.000) 2.422 11.285 ( -2.889 -0.000 -0.000) 2.889 14.448 ( 6.694 0.000 0.000) 6.694 15.431 ( 2.309 0.000 0.000) 2.309 16.031 ( -2.838 -0.000 -0.000) 2.838 17.707 ( -4.121 -0.000 -0.000) 4.121 ======================= Grid point 41 (42/135) ======================= q-point: ( 0.54 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.992 6.988 11.451) 13.451 2.528 ( -3.368 13.931 10.857) 17.981 2.596 ( -3.807 5.741 -0.283) 6.895 2.975 ( -2.356 -5.301 -13.809) 14.978 3.385 ( -5.979 5.698 5.248) 9.786 3.495 ( -10.512 -7.917 -5.760) 14.365 3.877 ( -12.480 -0.876 4.876) 13.427 3.954 ( -16.546 -5.759 -1.136) 17.557 4.665 ( 1.524 -15.144 10.373) 18.419 4.885 ( 3.282 9.736 11.433) 15.371 4.972 ( 3.738 6.977 1.901) 8.140 5.189 ( -0.233 -10.513 17.326) 20.268 5.410 ( 8.691 3.879 6.035) 11.270 5.845 ( -7.581 -4.463 7.513) 11.568 5.968 ( 1.884 2.133 6.759) 7.334 6.142 ( -1.471 3.482 -13.693) 14.205 6.202 ( -1.081 -4.967 0.808) 5.147 6.405 ( -3.537 -5.371 -9.934) 11.834 6.589 ( -0.757 8.364 -1.589) 8.548 7.051 ( 0.987 3.050 -34.168) 34.318 7.619 ( 1.997 -11.941 4.226) 12.823 7.745 ( -2.520 -8.965 2.620) 9.674 8.157 ( 5.746 7.506 4.999) 10.693 8.405 ( 6.801 5.640 -6.709) 11.094 9.267 ( 0.483 1.646 5.423) 5.688 9.483 ( 1.203 -0.427 -3.716) 3.929 10.027 ( 1.189 -11.371 2.237) 11.650 10.068 ( 3.041 -1.883 0.097) 3.578 10.403 ( 4.620 5.582 -0.686) 7.279 10.539 ( 1.316 4.453 -2.868) 5.458 11.027 ( 5.569 8.631 12.972) 16.546 11.299 ( 4.701 -6.636 -8.191) 11.542 14.640 ( -4.463 1.130 7.170) 8.521 15.093 ( -2.438 2.936 -14.559) 15.051 16.170 ( -2.753 -6.195 4.317) 8.037 16.618 ( 3.028 6.928 -9.962) 12.506 ======================= Grid point 42 (43/135) ======================= q-point: ( 0.14 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -9.434 6.514 -6.859) 13.360 2.210 ( -17.062 0.833 -13.274) 21.633 2.577 ( -6.018 -1.590 -7.015) 9.379 3.457 ( -14.654 -2.413 -1.428) 14.920 3.659 ( -0.134 -0.779 2.358) 2.487 3.889 ( 5.138 3.488 3.390) 7.075 4.146 ( 3.689 -1.683 -12.026) 12.691 4.322 ( 0.936 9.297 -5.413) 10.799 4.585 ( -14.131 3.065 -11.165) 18.269 4.780 ( 7.578 -14.488 -2.246) 16.504 4.939 ( 1.666 -8.499 -7.302) 11.328 5.415 ( -23.014 -3.359 0.816) 23.273 5.445 ( 0.255 10.489 0.696) 10.515 5.639 ( -2.460 0.779 -2.278) 3.442 6.009 ( -10.823 8.978 -4.832) 14.869 6.294 ( 0.752 -4.146 -0.817) 4.292 6.450 ( -4.600 2.596 12.828) 13.873 6.745 ( -9.537 -7.207 4.276) 12.695 6.917 ( 7.546 -5.607 10.083) 13.786 7.239 ( 5.027 1.574 15.491) 16.362 7.540 ( 15.644 6.674 4.363) 17.559 7.583 ( 3.589 -0.427 -1.591) 3.949 7.823 ( 6.329 0.264 -3.303) 7.144 8.285 ( 8.128 -6.494 7.517) 12.835 9.296 ( -0.020 -5.835 -5.361) 7.924 9.494 ( -1.275 -0.776 -1.013) 1.804 9.689 ( 4.391 9.117 -3.798) 10.808 9.873 ( 4.606 2.565 0.424) 5.289 10.139 ( 7.619 -2.350 -0.456) 7.987 10.241 ( 6.339 -4.190 -4.375) 8.768 10.673 ( -3.521 0.021 -2.481) 4.308 11.183 ( 4.515 2.604 2.921) 5.975 14.844 ( -7.402 1.717 0.769) 7.637 15.377 ( -4.260 4.004 10.998) 12.455 15.993 ( 1.030 3.233 -3.495) 4.872 16.881 ( 1.750 -5.732 12.507) 13.869 ======================= Grid point 43 (44/135) ======================= q-point: (-0.26 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.345 8.399 5.520) 10.057 2.438 ( 14.749 -7.740 2.922) 16.911 2.644 ( 15.702 -6.197 7.450) 18.451 3.596 ( -1.779 4.263 -2.112) 5.079 3.714 ( -4.438 -1.637 -0.824) 4.801 3.796 ( -8.799 0.717 6.827) 11.160 3.891 ( 3.763 -1.806 -0.562) 4.212 4.171 ( 4.060 -6.145 9.400) 11.942 4.569 ( 2.743 3.626 2.636) 5.255 4.642 ( -2.254 11.973 2.025) 12.350 4.795 ( -1.024 5.371 2.127) 5.867 5.332 ( -5.980 -11.097 -0.389) 12.611 5.550 ( -4.768 -6.954 2.991) 8.946 6.059 ( 13.480 7.496 -2.004) 15.554 6.225 ( 13.162 -3.255 0.853) 13.586 6.378 ( 23.741 -1.537 2.512) 23.923 6.714 ( -10.800 -2.763 -6.031) 12.675 6.793 ( -13.997 -0.038 -8.433) 16.342 7.067 ( 0.874 4.552 -0.246) 4.642 7.147 ( -2.243 0.722 -1.689) 2.899 7.382 ( -8.839 4.986 -6.163) 11.873 7.496 ( -1.949 -1.254 3.931) 4.563 7.705 ( -2.997 -4.980 -4.232) 7.190 8.271 ( -7.448 4.304 -6.021) 10.500 9.109 ( -2.596 3.004 6.697) 7.785 9.504 ( -5.331 -4.088 1.901) 6.982 9.541 ( 8.128 0.857 3.846) 9.033 9.858 ( -0.478 -0.429 -2.232) 2.322 9.997 ( -4.414 2.359 2.312) 5.513 10.095 ( -3.649 -0.602 -0.658) 3.757 10.721 ( 3.188 1.273 0.496) 3.468 11.231 ( 2.123 -2.518 -2.813) 4.331 15.006 ( 2.725 -1.309 -2.183) 3.730 15.678 ( 4.027 -6.874 -7.415) 10.884 15.956 ( 5.374 0.372 2.015) 5.751 16.968 ( -10.112 6.287 -7.123) 13.875 ======================= Grid point 44 (45/135) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 1.999 4.650 0.886) 5.139 2.510 ( -0.758 -3.482 2.453) 4.326 2.754 ( 10.412 7.139 14.691) 19.371 2.986 ( 5.706 -14.949 -11.035) 19.437 3.551 ( 7.413 7.027 2.504) 10.517 3.672 ( 4.691 -5.390 -4.386) 8.384 4.338 ( 22.276 5.595 -0.724) 22.980 4.425 ( 22.453 -3.338 -0.520) 22.705 4.632 ( -5.232 10.264 -1.101) 11.573 4.776 ( -6.892 -2.909 1.744) 7.682 5.119 ( -0.248 4.453 -3.344) 5.574 5.326 ( 0.645 -14.520 3.225) 14.888 5.614 ( 0.166 6.586 -13.860) 15.346 5.742 ( -1.274 -5.773 10.485) 12.036 6.105 ( 0.127 5.062 1.121) 5.186 6.161 ( 1.094 -0.733 -3.831) 4.051 6.340 ( -0.189 10.590 -2.499) 10.883 6.401 ( 7.198 1.290 -4.705) 8.695 6.441 ( 4.805 -1.188 14.520) 15.340 6.607 ( 0.130 -12.522 -3.236) 12.934 7.641 ( -1.790 8.081 -1.262) 8.372 7.795 ( -3.619 -6.034 -0.593) 7.061 7.993 ( -9.787 7.875 0.157) 12.563 8.170 ( -10.346 -9.350 -0.975) 13.979 9.365 ( 0.490 0.585 -0.554) 0.944 9.394 ( 0.559 -2.059 0.322) 2.158 9.980 ( -3.815 6.290 0.228) 7.360 10.007 ( -4.292 2.414 -1.045) 5.034 10.320 ( -6.697 1.759 -2.321) 7.302 10.420 ( -4.707 -7.002 3.264) 9.047 10.993 ( -4.688 4.664 9.360) 11.460 11.095 ( -8.525 -5.670 -8.527) 13.324 14.887 ( 4.405 1.211 -2.445) 5.182 14.918 ( 4.761 -1.673 3.857) 6.351 16.274 ( 0.057 8.759 0.337) 8.765 16.436 ( -0.911 -7.594 0.232) 7.652 ======================= Grid point 45 (46/135) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.000 0.000 -24.880) 24.880 0.611 ( -0.000 0.000 -28.670) 28.670 1.059 ( -0.000 0.000 -47.897) 47.897 2.912 ( 0.000 -0.000 0.252) 0.252 3.355 ( -0.000 0.000 -4.057) 4.057 3.828 ( -0.000 0.000 -14.487) 14.487 3.895 ( 0.000 -0.000 2.977) 2.977 4.128 ( 0.000 -0.000 6.736) 6.736 4.312 ( -0.000 0.000 -1.988) 1.988 4.358 ( 0.000 -0.000 2.622) 2.622 5.130 ( -0.000 0.000 -6.130) 6.130 5.243 ( -0.000 0.000 -3.220) 3.220 5.547 ( -0.000 0.000 -1.207) 1.207 5.698 ( -0.000 0.000 -2.514) 2.514 5.795 ( -0.000 0.000 -0.494) 0.494 6.255 ( 0.000 -0.000 2.142) 2.142 6.291 ( 0.000 -0.000 9.721) 9.721 6.524 ( 0.000 -0.000 1.514) 1.514 7.346 ( 0.000 -0.000 2.540) 2.540 7.556 ( -0.000 0.000 -0.318) 0.318 7.579 ( 0.000 -0.000 3.196) 3.196 7.758 ( 0.000 -0.000 10.583) 10.583 8.535 ( 0.000 -0.000 1.662) 1.662 8.598 ( 0.000 -0.000 2.901) 2.901 9.355 ( -0.000 0.000 -3.433) 3.433 9.573 ( -0.000 0.000 -3.172) 3.172 9.586 ( 0.000 -0.000 0.989) 0.989 10.128 ( 0.000 -0.000 1.334) 1.334 10.422 ( -0.000 0.000 -0.976) 0.976 10.476 ( -0.000 0.000 -1.878) 1.878 10.596 ( 0.000 -0.000 1.071) 1.071 12.224 ( 0.000 -0.000 4.026) 4.026 14.390 ( -0.000 0.000 -1.485) 1.485 15.365 ( 0.000 -0.000 3.849) 3.849 16.057 ( 0.000 -0.000 0.522) 0.522 16.059 ( -0.000 0.000 -4.073) 4.073 ======================= Grid point 46 (47/135) ======================= q-point: ( 0.54 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -5.277 7.649 12.874) 15.878 2.443 ( -7.259 10.281 6.282) 14.066 2.604 ( -3.352 14.016 4.325) 15.046 3.187 ( -3.790 1.255 -0.738) 4.060 3.545 ( -8.910 -2.598 -3.319) 9.856 3.773 ( -3.814 -4.100 0.431) 5.617 4.045 ( -17.308 -1.026 8.005) 19.097 4.391 ( -2.990 -7.965 6.775) 10.876 4.417 ( -17.371 -4.371 4.111) 18.378 4.722 ( -1.715 3.098 3.655) 5.089 4.851 ( 2.620 4.738 1.945) 5.753 4.934 ( 3.701 -6.322 9.030) 11.628 5.026 ( -4.214 -2.439 9.512) 10.686 5.843 ( -1.159 5.850 3.088) 6.715 5.876 ( -5.073 -9.613 4.787) 11.877 6.139 ( 1.084 -11.518 3.421) 12.064 6.502 ( -3.277 2.963 -13.725) 14.418 6.646 ( -1.919 6.398 -3.947) 7.758 6.723 ( -2.763 0.084 -8.999) 9.413 7.501 ( 0.102 -6.195 4.704) 7.779 7.623 ( 6.046 4.567 -20.493) 21.849 7.808 ( -3.160 -9.826 -5.123) 11.524 7.917 ( 8.148 1.826 1.127) 8.426 8.311 ( 15.818 4.688 -6.904) 17.885 9.157 ( -0.764 0.404 5.315) 5.385 9.450 ( 2.650 -3.438 2.505) 5.011 9.966 ( 0.557 -6.903 1.546) 7.096 10.009 ( 3.375 -0.879 -0.440) 3.515 10.216 ( 11.521 4.510 1.341) 12.445 10.408 ( 9.507 6.557 6.259) 13.136 10.749 ( 0.048 3.833 4.026) 5.559 11.353 ( 4.616 -0.238 -6.732) 8.166 14.681 ( -8.581 -0.264 2.447) 8.927 15.474 ( -3.493 4.333 -14.453) 15.487 16.191 ( -3.770 -0.127 1.456) 4.043 16.713 ( 7.489 -0.398 -9.572) 12.161 ======================= Grid point 47 (48/135) ======================= q-point: ( 0.13 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -1.854 0.108 -8.630) 8.827 2.661 ( -7.683 -0.825 -0.623) 7.752 3.020 ( -10.772 -0.622 -10.828) 15.286 3.470 ( -1.418 -4.403 3.764) 5.964 3.625 ( 3.301 2.591 3.047) 5.185 3.685 ( 3.734 5.270 5.469) 8.463 4.112 ( 8.915 -3.630 -3.329) 10.185 4.323 ( 1.970 2.327 3.890) 4.943 4.983 ( -8.365 -3.478 -12.513) 15.448 5.076 ( -1.865 0.812 -18.015) 18.130 5.152 ( 0.703 -0.220 -13.214) 13.234 5.566 ( 3.110 4.973 -9.905) 11.512 5.639 ( 2.598 6.764 -4.269) 8.410 5.811 ( -22.111 -1.825 10.217) 24.426 6.018 ( 3.621 1.783 17.045) 17.517 6.322 ( -2.313 -2.295 9.547) 10.088 6.470 ( -8.417 -3.072 -0.595) 8.980 6.564 ( 9.682 -3.261 1.085) 10.274 6.877 ( -11.787 0.155 5.527) 13.019 6.956 ( -9.932 -1.953 4.113) 10.926 7.099 ( 14.078 5.511 2.242) 15.284 7.518 ( 14.273 -4.264 4.273) 15.497 7.731 ( 1.420 0.406 -4.314) 4.560 7.984 ( 5.047 -2.632 5.729) 8.076 9.380 ( 0.970 -1.361 -4.135) 4.460 9.505 ( 1.175 1.211 1.487) 2.249 9.786 ( -3.809 1.214 -2.877) 4.926 9.821 ( -1.500 2.122 -2.411) 3.545 9.970 ( 4.861 -0.721 1.493) 5.136 10.137 ( 8.651 -1.347 -0.727) 8.785 10.800 ( -1.962 -0.988 -3.838) 4.422 11.036 ( 0.740 0.482 5.547) 5.617 14.941 ( -2.007 1.761 -1.369) 3.000 15.209 ( -2.474 2.966 11.073) 11.727 16.137 ( -4.376 0.015 -6.206) 7.594 16.576 ( 5.324 -3.046 9.248) 11.097 ======================= Grid point 48 (49/135) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 20.354 0.127 0.000) 20.354 2.052 ( 25.384 -11.333 0.000) 27.799 2.417 ( -6.434 -0.510 -0.000) 6.454 3.386 ( 34.498 -3.968 0.000) 34.726 3.666 ( -0.260 4.682 -0.000) 4.689 3.755 ( -5.442 4.490 -0.000) 7.055 4.024 ( 0.096 -3.047 0.000) 3.049 4.032 ( -8.700 -6.531 -0.000) 10.879 4.420 ( 7.156 -4.640 0.000) 8.528 4.799 ( -8.552 23.219 -0.000) 24.744 4.805 ( -2.831 1.137 -0.000) 3.051 5.381 ( 14.307 3.925 0.000) 14.836 5.550 ( 2.642 -1.394 0.000) 2.987 5.698 ( 18.618 2.283 0.000) 18.758 5.836 ( 0.373 -22.526 0.000) 22.529 6.199 ( -1.282 6.380 -0.000) 6.508 6.812 ( 9.603 3.085 0.000) 10.087 6.851 ( 5.242 5.036 0.000) 7.270 7.216 ( -6.272 4.529 -0.000) 7.737 7.352 ( -8.979 1.319 -0.000) 9.075 7.481 ( -5.733 -3.253 -0.000) 6.592 7.764 ( -16.606 -3.220 -0.000) 16.915 7.928 ( -11.253 -7.332 -0.000) 13.431 8.488 ( -6.500 7.723 -0.000) 10.095 9.063 ( -1.590 5.426 -0.000) 5.654 9.380 ( 1.855 -1.355 0.000) 2.297 9.589 ( -4.225 -4.422 -0.000) 6.116 9.883 ( 0.710 -0.629 0.000) 0.949 10.063 ( -4.632 3.414 -0.000) 5.755 10.196 ( -5.038 0.820 -0.000) 5.105 10.635 ( 4.236 -0.120 0.000) 4.238 11.245 ( -1.163 -5.501 0.000) 5.623 14.889 ( 9.814 -1.145 0.000) 9.881 15.655 ( 5.351 -6.587 0.000) 8.486 15.917 ( -3.063 -3.368 -0.000) 4.553 17.278 ( -9.743 9.947 -0.000) 13.923 ======================= Grid point 50 (50/135) ======================= q-point: (-0.07 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -16.489 0.000 -21.753) 27.296 1.451 ( -17.922 0.000 -22.485) 28.754 2.212 ( -22.423 0.000 -30.897) 38.176 2.837 ( 5.777 -0.000 0.218) 5.781 3.611 ( -16.032 0.000 -6.362) 17.248 3.917 ( 1.563 -0.000 9.544) 9.671 3.963 ( -7.082 -0.000 5.044) 8.695 4.233 ( 0.282 0.000 -21.180) 21.182 4.274 ( -1.987 -0.000 5.688) 6.025 4.406 ( -5.672 0.000 -1.199) 5.797 5.298 ( 2.456 0.000 -13.398) 13.622 5.349 ( 3.041 0.000 -5.466) 6.255 5.500 ( 6.131 -0.000 0.133) 6.132 5.730 ( 3.928 0.000 -3.214) 5.075 5.749 ( 2.443 0.000 -3.662) 4.402 6.141 ( -6.093 -0.000 9.093) 10.945 6.354 ( -11.254 -0.000 5.596) 12.569 6.381 ( 0.457 -0.000 10.244) 10.254 7.209 ( -3.036 -0.000 19.490) 19.725 7.327 ( 7.975 -0.000 8.328) 11.531 7.552 ( -0.533 -0.000 3.702) 3.740 7.695 ( -7.603 0.000 0.277) 7.608 8.276 ( 14.992 -0.000 0.816) 15.015 8.625 ( 0.130 -0.000 1.494) 1.500 9.448 ( -0.455 0.000 -3.471) 3.500 9.501 ( 3.367 -0.000 0.448) 3.397 9.634 ( -0.584 -0.000 0.372) 0.693 10.055 ( 3.407 -0.000 1.951) 3.926 10.442 ( 2.357 0.000 -1.445) 2.765 10.528 ( 3.464 0.000 -1.755) 3.883 10.545 ( -0.117 0.000 -5.687) 5.688 11.785 ( 22.953 -0.000 -2.148) 23.053 14.503 ( -5.129 0.000 -3.468) 6.192 15.233 ( -0.202 -0.000 7.220) 7.223 16.023 ( 1.627 -0.000 0.325) 1.659 16.508 ( -22.079 -0.000 7.490) 23.315 ======================= Grid point 51 (51/135) ======================= q-point: ( 0.53 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -1.753 6.188 8.513) 10.669 2.541 ( -7.966 2.623 2.348) 8.709 2.694 ( -13.123 19.151 2.455) 23.346 3.277 ( -3.987 -5.240 -1.780) 6.821 3.645 ( -3.743 -2.475 9.631) 10.625 3.814 ( -3.394 -0.437 -0.610) 3.476 4.102 ( 5.898 -10.929 0.483) 12.429 4.211 ( -1.767 -1.550 5.542) 6.020 4.442 ( 4.270 12.343 6.659) 14.661 4.610 ( -0.375 0.986 3.872) 4.013 4.749 ( 1.769 3.267 -1.935) 4.189 5.151 ( -20.481 -5.880 2.715) 21.480 5.285 ( -19.694 -11.284 -1.053) 22.722 5.861 ( -3.686 7.410 1.861) 8.483 5.931 ( -9.831 -8.066 0.700) 12.736 6.089 ( -7.081 -12.507 3.573) 14.810 6.721 ( -0.877 9.468 -1.482) 9.623 6.829 ( -3.466 2.912 -9.154) 10.212 6.966 ( -2.682 -2.527 -7.073) 7.976 7.395 ( 6.535 0.476 2.325) 6.953 7.530 ( 9.629 -2.276 3.331) 10.440 7.803 ( 2.057 -6.079 -3.233) 7.185 8.016 ( 24.018 2.720 -5.225) 24.729 8.119 ( 3.642 2.054 -12.725) 13.394 9.043 ( -0.102 -0.259 6.407) 6.413 9.362 ( -1.976 -2.733 2.535) 4.219 9.865 ( 7.074 4.215 4.492) 9.380 9.931 ( 0.785 -0.458 1.333) 1.613 9.980 ( 7.387 -0.192 -0.324) 7.396 10.131 ( 4.352 -0.999 1.444) 4.693 10.730 ( -0.410 3.464 0.349) 3.506 11.378 ( 4.090 2.241 -3.925) 6.096 14.858 ( -9.097 -1.483 -0.437) 9.227 15.790 ( -2.675 1.479 -7.739) 8.321 16.209 ( 2.692 9.681 -1.205) 10.120 16.727 ( 4.918 -9.728 -5.047) 12.012 ======================= Grid point 52 (52/135) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 4.375 -0.336 4.483) 6.273 2.596 ( 0.245 -1.074 -2.512) 2.743 3.265 ( 8.815 -2.370 10.771) 14.119 3.362 ( -0.557 -5.281 -6.108) 8.093 3.542 ( 1.298 3.926 -3.968) 5.731 3.618 ( -5.429 4.020 -0.246) 6.760 4.200 ( -4.529 -1.534 -5.354) 7.178 4.211 ( -5.330 0.750 4.370) 6.933 5.097 ( 14.900 4.664 -2.367) 15.792 5.370 ( -9.928 2.219 2.590) 10.497 5.488 ( 6.584 1.570 17.810) 19.053 5.541 ( -0.111 -1.500 -16.578) 16.646 5.572 ( 14.992 -0.333 -9.226) 17.607 5.691 ( -0.249 0.642 3.147) 3.221 5.976 ( 0.494 5.370 13.523) 14.559 6.052 ( -3.503 -0.300 -10.329) 10.911 6.412 ( 8.579 -2.968 -5.380) 10.553 6.600 ( -6.393 -9.897 2.990) 12.155 6.838 ( 8.028 1.907 0.662) 8.278 6.965 ( 18.538 -2.332 5.651) 19.520 7.083 ( -14.625 6.768 1.258) 16.164 7.436 ( -22.028 -3.244 -2.991) 22.465 7.804 ( 3.150 -0.746 1.716) 3.663 7.869 ( -2.203 -1.445 -4.749) 5.431 9.433 ( 1.788 0.222 0.059) 1.803 9.457 ( -0.275 0.649 -2.158) 2.270 9.821 ( 1.036 0.394 1.681) 2.013 9.864 ( -0.808 0.724 0.325) 1.132 9.968 ( 0.110 1.618 1.210) 2.023 10.128 ( -11.444 -1.891 -1.649) 11.716 10.906 ( 0.405 -0.500 5.861) 5.896 10.924 ( -1.541 -0.678 -4.710) 5.002 15.016 ( 2.089 1.618 -2.468) 3.615 15.037 ( 0.143 2.109 3.490) 4.080 16.281 ( 5.248 0.009 7.203) 8.912 16.398 ( -5.514 -2.490 -7.371) 9.536 ======================= Grid point 54 (53/135) ======================= q-point: ( 0.33 -0.08 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.000 20.099 19.590) 28.067 1.717 ( 0.000 18.008 19.211) 26.331 2.564 ( 0.000 29.421 18.295) 34.646 2.688 ( -0.000 -5.302 -0.376) 5.315 3.323 ( -0.000 -5.149 2.161) 5.584 3.674 ( -0.000 -9.136 -2.278) 9.416 3.797 ( -0.000 -5.404 -5.547) 7.745 4.040 ( -0.000 -9.338 -6.819) 11.563 4.226 ( 0.000 -0.383 23.253) 23.256 4.733 ( 0.000 14.698 0.961) 14.729 5.008 ( -0.000 -11.628 4.692) 12.539 5.166 ( -0.000 -15.103 3.206) 15.439 5.320 ( 0.000 -1.271 15.800) 15.851 5.797 ( 0.000 3.379 5.587) 6.530 5.852 ( -0.000 -10.922 -4.972) 12.001 6.243 ( -0.000 -1.291 -1.185) 1.753 6.344 ( -0.000 3.055 -11.804) 12.193 6.457 ( 0.000 14.831 -5.908) 15.964 6.769 ( -0.000 -11.787 -9.805) 15.332 7.657 ( -0.000 7.379 -28.035) 28.990 7.683 ( -0.000 -2.930 4.638) 5.486 7.808 ( 0.000 8.607 0.431) 8.618 8.082 ( -0.000 -16.415 2.446) 16.596 8.576 ( -0.000 1.422 -5.916) 6.084 9.145 ( 0.000 -1.416 4.247) 4.477 9.574 ( -0.000 -0.383 -1.858) 1.897 10.067 ( 0.000 7.098 1.039) 7.174 10.159 ( -0.000 -11.286 6.623) 13.086 10.349 ( 0.000 9.191 -2.567) 9.543 10.523 ( 0.000 3.139 2.166) 3.814 10.685 ( 0.000 3.681 6.683) 7.630 11.648 ( -0.000 -10.998 -1.424) 11.089 14.438 ( 0.000 -0.159 4.801) 4.803 15.279 ( -0.000 4.890 -11.962) 12.923 16.113 ( -0.000 -3.324 5.646) 6.552 16.719 ( 0.000 15.277 -16.499) 22.486 ======================= Grid point 55 (54/135) ======================= q-point: (-0.08 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -13.865 0.000 -16.650) 21.667 2.193 ( -12.951 0.000 -15.198) 19.968 2.751 ( 1.703 0.000 -3.776) 4.142 3.124 ( -20.556 0.000 -9.176) 22.511 3.697 ( 1.174 -0.000 7.865) 7.952 3.848 ( 3.713 -0.000 4.498) 5.833 4.209 ( -24.795 0.000 -1.218) 24.824 4.278 ( -3.191 0.000 -1.277) 3.437 4.561 ( 6.478 0.000 -11.289) 13.016 4.656 ( -21.730 -0.000 4.573) 22.206 5.188 ( 12.394 0.000 -2.210) 12.590 5.417 ( 5.447 0.000 -9.005) 10.524 5.655 ( 1.448 0.000 -21.938) 21.986 5.685 ( 3.357 -0.000 3.542) 4.880 5.911 ( -4.370 0.000 -10.166) 11.066 6.002 ( -1.873 -0.000 16.267) 16.374 6.270 ( -5.721 -0.000 4.079) 7.026 6.471 ( -10.493 -0.000 5.016) 11.630 6.769 ( -3.243 -0.000 22.451) 22.684 6.938 ( 7.642 -0.000 9.875) 12.487 7.592 ( -4.157 0.000 -0.071) 4.157 7.807 ( -5.626 -0.000 3.711) 6.740 7.910 ( 20.434 -0.000 -2.066) 20.538 8.451 ( 11.821 -0.000 3.564) 12.347 9.470 ( -0.625 -0.000 0.371) 0.727 9.487 ( 1.246 0.000 -0.907) 1.541 9.618 ( -0.301 0.000 -0.007) 0.301 9.929 ( 4.542 -0.000 1.210) 4.700 10.351 ( 8.726 -0.000 -0.791) 8.762 10.516 ( 3.240 0.000 -2.600) 4.154 10.712 ( -1.533 0.000 -7.650) 7.802 11.360 ( 16.600 -0.000 3.025) 16.873 14.721 ( -5.646 0.000 -5.676) 8.006 15.087 ( -1.792 -0.000 8.173) 8.367 16.017 ( -0.522 0.000 -1.957) 2.026 16.647 ( -5.670 -0.000 5.798) 8.109 ======================= Grid point 56 (55/135) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.164 4.606 -0.000) 4.609 2.649 ( -3.341 0.073 -0.000) 3.342 2.876 ( -1.338 6.181 -0.000) 6.324 3.468 ( 0.995 0.908 0.000) 1.348 3.489 ( -12.107 -7.253 -0.000) 14.114 3.800 ( 7.838 -3.951 0.000) 8.777 4.014 ( 1.985 -2.741 0.000) 3.385 4.122 ( -0.196 2.776 -0.000) 2.783 4.354 ( -0.011 9.178 -0.000) 9.178 4.580 ( -0.316 0.075 -0.000) 0.325 4.761 ( 0.673 0.925 0.000) 1.144 5.359 ( -4.298 -4.349 -0.000) 6.114 5.583 ( -7.487 -12.534 -0.000) 14.600 5.881 ( -0.888 9.941 -0.000) 9.981 6.366 ( -26.073 0.195 -0.000) 26.074 6.390 ( -21.582 -14.036 -0.000) 25.745 6.753 ( -1.541 6.852 -0.000) 7.023 6.946 ( 25.550 -0.252 0.000) 25.551 6.952 ( 5.596 5.234 0.000) 7.663 7.112 ( -3.173 -3.831 -0.000) 4.974 7.450 ( -0.856 -1.872 -0.000) 2.059 7.492 ( 21.639 7.428 0.000) 22.879 7.858 ( 1.363 -5.834 0.000) 5.991 8.186 ( 0.521 2.467 -0.000) 2.522 8.967 ( -0.354 0.851 -0.000) 0.922 9.426 ( -5.703 -2.559 -0.000) 6.251 9.636 ( 8.403 3.360 0.000) 9.050 9.905 ( 0.216 0.054 0.000) 0.223 9.905 ( 1.116 -1.039 0.000) 1.525 10.085 ( 0.458 -1.036 0.000) 1.133 10.726 ( 0.564 2.024 0.000) 2.102 11.344 ( 2.734 0.687 0.000) 2.819 15.028 ( -5.022 -1.551 -0.000) 5.256 15.893 ( -0.861 -3.096 -0.000) 3.214 16.109 ( 8.348 5.927 0.000) 10.238 16.764 ( -3.530 -2.071 -0.000) 4.093 ======================= Grid point 57 (56/135) ======================= q-point: ( 0.12 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 5.297 5.846 7.466) 10.862 2.451 ( 10.597 -1.037 8.215) 13.448 2.764 ( 11.250 -3.171 10.830) 15.934 3.429 ( 3.884 -6.819 -3.620) 8.642 3.610 ( 3.261 1.709 -2.965) 4.727 3.798 ( -4.604 2.593 -4.486) 6.931 4.328 ( -8.883 3.121 4.396) 10.391 4.386 ( -3.816 2.092 0.736) 4.414 4.725 ( 16.478 -0.334 3.011) 16.754 4.993 ( 2.321 -0.687 14.619) 14.818 5.151 ( 12.645 -4.362 8.866) 16.048 5.308 ( 10.230 -0.825 -0.251) 10.266 5.627 ( 0.117 0.306 5.494) 5.504 5.688 ( -2.258 4.398 7.712) 9.161 6.057 ( -0.012 3.109 -16.101) 16.398 6.103 ( 10.199 2.136 3.276) 10.923 6.366 ( 4.016 0.275 -1.985) 4.488 6.617 ( 7.793 -4.017 -6.824) 11.110 6.753 ( -2.824 -7.747 -4.806) 9.544 6.865 ( 0.361 3.166 -16.073) 16.386 7.482 ( -19.378 4.742 -1.254) 19.989 7.627 ( 0.702 -3.283 1.865) 3.840 7.872 ( -5.464 0.912 0.710) 5.585 8.124 ( -10.521 -4.795 -7.436) 13.747 9.383 ( 0.824 -4.282 2.826) 5.196 9.486 ( 1.644 -1.006 -1.514) 2.451 9.754 ( -1.134 8.400 2.308) 8.785 9.867 ( -4.237 2.798 -0.073) 5.078 10.138 ( -9.745 -0.385 -0.380) 9.760 10.332 ( -8.780 -4.954 3.493) 10.669 10.757 ( 1.997 0.143 5.537) 5.888 11.104 ( -6.418 0.235 -4.554) 7.873 14.862 ( 5.269 1.890 2.943) 6.324 15.149 ( 3.080 1.696 -9.819) 10.430 16.081 ( 1.045 3.312 4.694) 5.840 16.649 ( -1.162 -4.252 -9.088) 10.100 ======================= Grid point 59 (57/135) ======================= q-point: ( 0.32 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -10.184 15.056 20.254) 27.214 1.546 ( -16.324 24.018 10.333) 30.824 2.446 ( -16.602 36.055 7.668) 40.427 2.643 ( 2.879 -3.773 1.584) 5.003 3.344 ( -13.758 -4.025 9.067) 16.962 3.821 ( -7.222 -5.142 2.626) 9.246 3.828 ( 3.843 -5.807 -1.731) 7.175 3.949 ( -9.516 -6.513 5.666) 12.848 4.285 ( -9.966 -6.168 -4.310) 12.487 4.664 ( 4.244 12.028 1.832) 12.886 4.949 ( -1.642 -9.986 0.548) 10.135 5.007 ( 4.643 -2.278 6.267) 8.126 5.086 ( 7.007 -13.757 1.071) 15.476 5.685 ( 0.248 3.588 2.529) 4.397 5.952 ( -1.950 -14.882 -0.849) 15.033 6.282 ( -2.767 -8.184 0.636) 8.663 6.557 ( 0.699 10.680 -5.064) 11.840 6.576 ( -0.715 8.102 -7.179) 10.849 7.004 ( -1.050 -10.965 -9.543) 14.574 7.506 ( 1.769 -2.953 6.529) 7.381 7.777 ( 0.891 7.233 1.632) 7.468 8.066 ( 1.894 -12.715 -4.430) 13.597 8.188 ( 0.499 4.313 -17.320) 17.856 8.629 ( 6.908 3.675 -6.115) 9.931 9.069 ( -0.354 -3.493 3.771) 5.153 9.519 ( 2.910 -4.942 5.068) 7.654 9.967 ( 2.610 7.466 5.905) 9.871 9.985 ( 0.290 -3.278 7.515) 8.204 10.314 ( 6.871 5.891 -0.280) 9.055 10.377 ( 5.535 1.556 1.746) 6.009 10.619 ( 0.959 3.356 1.041) 3.642 11.541 ( 6.363 -0.377 0.912) 6.439 14.467 ( -8.293 -1.168 1.329) 8.479 15.526 ( -2.439 7.633 -7.959) 11.294 16.081 ( -3.826 -0.974 2.097) 4.470 17.127 ( 2.987 2.204 -20.177) 20.516 ======================= Grid point 60 (58/135) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -5.733 0.000 -8.022) 9.860 2.554 ( -3.969 0.000 -0.465) 3.996 3.074 ( -11.116 0.000 -13.527) 17.508 3.401 ( -4.064 -0.000 4.557) 6.106 3.545 ( 0.973 -0.000 4.129) 4.242 3.686 ( 5.538 -0.000 2.550) 6.097 4.268 ( 3.271 0.000 -1.151) 3.468 4.407 ( 11.426 -0.000 3.527) 11.958 4.668 ( -20.302 -0.000 5.753) 21.102 5.090 ( -26.243 -0.000 4.638) 26.650 5.292 ( -9.546 0.000 -12.372) 15.627 5.432 ( 1.422 -0.000 12.644) 12.724 5.671 ( -0.557 -0.000 1.968) 2.045 5.694 ( 5.930 0.000 -3.590) 6.932 5.930 ( 3.262 0.000 -6.098) 6.916 6.128 ( 2.019 -0.000 11.007) 11.191 6.227 ( -7.004 0.000 -1.305) 7.124 6.609 ( -7.430 0.000 -5.718) 9.376 6.669 ( -12.464 0.000 -0.525) 12.475 6.799 ( -1.198 0.000 -3.239) 3.454 7.471 ( 24.790 -0.000 -3.151) 24.989 7.701 ( -5.917 0.000 -0.229) 5.921 7.791 ( 0.185 -0.000 5.098) 5.101 8.022 ( 17.330 -0.000 5.509) 18.185 9.425 ( -0.385 -0.000 4.366) 4.383 9.454 ( 0.897 -0.000 0.978) 1.327 9.729 ( -4.949 0.000 -3.868) 6.281 9.844 ( 2.479 0.000 -0.835) 2.616 10.125 ( 11.060 -0.000 1.189) 11.124 10.422 ( 11.170 -0.000 -0.760) 11.196 10.903 ( -0.250 0.000 -8.100) 8.104 11.006 ( 6.700 -0.000 5.274) 8.527 14.965 ( -2.616 0.000 -9.023) 9.395 14.978 ( -2.065 -0.000 5.672) 6.036 16.155 ( -5.317 0.000 -5.324) 7.525 16.539 ( 4.196 -0.000 5.143) 6.638 ======================= Grid point 62 (59/135) ======================= q-point: ( 0.11 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 19.093 12.304 13.516) 26.431 1.879 ( 16.367 4.519 17.868) 24.648 2.586 ( -2.510 -6.588 2.346) 7.430 2.967 ( 25.736 9.677 14.170) 30.932 3.728 ( -3.917 -8.680 -6.909) 11.765 3.952 ( 1.548 -2.541 0.939) 3.120 4.067 ( 14.860 -0.570 6.772) 16.340 4.272 ( 3.812 5.282 13.191) 14.711 4.386 ( -0.787 9.968 1.621) 10.129 4.692 ( 19.679 -5.976 -1.044) 20.593 5.019 ( -9.604 -11.357 0.583) 14.885 5.176 ( -1.947 -6.236 8.193) 10.479 5.434 ( 1.864 -4.468 4.737) 6.773 5.605 ( -1.490 2.840 3.302) 4.602 5.965 ( -2.555 14.968 0.892) 15.211 6.264 ( 4.665 -3.585 -0.565) 5.910 6.358 ( 2.480 1.858 -13.537) 13.887 6.551 ( 8.880 -3.613 -4.397) 10.547 7.030 ( -2.844 -11.372 -10.683) 15.860 7.333 ( -4.472 6.452 -17.256) 18.958 7.572 ( -0.256 1.127 -1.612) 1.983 7.856 ( 1.051 2.512 2.380) 3.617 7.947 ( -15.751 2.937 -4.113) 16.542 8.457 ( -7.288 -7.933 -4.311) 11.603 9.278 ( 0.971 -7.904 3.678) 8.772 9.506 ( -1.662 0.323 -0.434) 1.748 9.774 ( -3.375 11.286 2.298) 12.002 10.001 ( -6.785 4.607 -0.784) 8.239 10.309 ( -7.785 -1.605 2.271) 8.267 10.351 ( -3.691 -8.185 6.769) 11.245 10.610 ( 1.918 2.275 3.564) 4.643 11.358 ( -12.355 0.019 0.527) 12.367 14.670 ( 8.395 1.564 1.367) 8.648 15.293 ( 3.475 2.790 -9.949) 10.901 16.043 ( -3.108 5.556 1.766) 6.607 16.826 ( 7.517 -3.476 -14.503) 16.701 ======================= Grid point 63 (60/135) ======================= q-point: (-0.29 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.000 -14.488 -21.503) 25.929 1.872 ( -0.000 -9.611 -24.344) 26.173 2.669 ( -0.000 -8.217 -18.311) 20.070 2.804 ( 0.000 6.942 1.409) 7.084 3.405 ( 0.000 7.860 5.489) 9.586 3.704 ( 0.000 -2.431 6.334) 6.784 3.725 ( 0.000 2.355 3.642) 4.338 4.041 ( 0.000 6.384 7.578) 9.909 4.521 ( -0.000 -8.844 -1.419) 8.958 4.721 ( -0.000 -0.606 -21.761) 21.769 5.352 ( 0.000 14.326 -4.813) 15.113 5.638 ( 0.000 10.140 -17.116) 19.894 5.717 ( -0.000 0.232 -17.896) 17.898 5.820 ( 0.000 0.310 11.835) 11.839 5.848 ( -0.000 -5.330 -7.890) 9.521 5.941 ( 0.000 4.251 17.484) 17.994 6.077 ( -0.000 -13.620 0.503) 13.630 6.174 ( 0.000 -2.559 7.513) 7.937 6.711 ( 0.000 0.545 20.400) 20.407 7.085 ( 0.000 9.311 15.842) 18.376 7.611 ( -0.000 -8.746 2.266) 9.035 7.626 ( -0.000 -10.077 2.970) 10.505 8.388 ( 0.000 9.437 -2.105) 9.669 8.572 ( 0.000 5.295 -0.640) 5.333 9.317 ( 0.000 7.991 -3.381) 8.677 9.501 ( 0.000 -0.131 3.581) 3.584 9.857 ( -0.000 -14.813 0.598) 14.825 10.105 ( -0.000 -5.388 2.756) 6.051 10.456 ( 0.000 4.288 -3.581) 5.587 10.514 ( 0.000 2.222 0.800) 2.361 10.785 ( -0.000 -4.809 -10.200) 11.276 11.790 ( 0.000 10.500 8.789) 13.694 14.575 ( -0.000 0.234 -8.297) 8.300 15.035 ( 0.000 2.203 9.582) 9.832 16.174 ( -0.000 -13.676 5.282) 14.660 16.333 ( -0.000 2.780 -8.961) 9.382 ======================= Grid point 64 (61/135) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -17.882 11.449 -0.000) 21.233 1.870 ( -21.564 21.578 -0.000) 30.507 2.509 ( 5.557 -3.148 0.000) 6.386 2.893 ( -28.244 20.862 -0.000) 35.113 3.485 ( -8.142 -6.698 -0.000) 10.543 3.775 ( 4.645 -4.576 0.000) 6.520 3.941 ( -12.412 5.716 -0.000) 13.665 4.149 ( -7.182 -5.386 -0.000) 8.977 4.531 ( 4.330 7.862 0.000) 8.976 4.550 ( -2.580 -7.433 -0.000) 7.868 4.850 ( 4.110 -2.187 0.000) 4.656 4.905 ( -4.331 -11.593 -0.000) 12.376 5.130 ( -12.773 -8.983 -0.000) 15.615 5.687 ( -1.608 4.782 -0.000) 5.045 5.989 ( -1.695 -14.284 0.000) 14.384 6.250 ( 5.278 -5.220 0.000) 7.423 6.576 ( -1.276 7.636 -0.000) 7.742 6.754 ( -6.252 3.438 -0.000) 7.135 7.118 ( 0.589 -9.302 0.000) 9.321 7.411 ( 0.232 -0.808 0.000) 0.841 7.687 ( 6.112 3.619 0.000) 7.103 8.056 ( 5.182 -5.787 0.000) 7.768 8.347 ( 4.410 0.840 0.000) 4.489 8.481 ( 16.175 2.294 0.000) 16.337 8.988 ( 0.770 -3.515 0.000) 3.598 9.370 ( 1.566 -3.298 0.000) 3.651 9.814 ( 4.492 7.658 0.000) 8.878 9.897 ( 0.066 2.056 -0.000) 2.057 10.150 ( 7.998 1.639 0.000) 8.165 10.249 ( 4.454 -2.759 0.000) 5.239 10.623 ( -1.700 4.568 -0.000) 4.874 11.430 ( 4.440 5.221 0.000) 6.854 14.669 ( -10.903 -1.011 -0.000) 10.950 15.686 ( -4.434 7.827 -0.000) 8.995 16.101 ( 1.058 4.670 -0.000) 4.788 17.211 ( 8.670 -12.356 0.000) 15.094 ======================= Grid point 65 (62/135) ======================= q-point: (-0.09 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 2.891 -0.000 8.724) 9.191 2.711 ( -4.143 0.000 -4.744) 6.299 3.224 ( 6.762 -0.000 9.382) 11.565 3.484 ( -3.321 0.000 -2.004) 3.879 3.537 ( 2.810 -0.000 0.004) 2.810 3.577 ( -4.680 0.000 -9.573) 10.656 4.102 ( 3.817 -0.000 5.095) 6.366 4.261 ( 0.135 0.000 -0.732) 0.745 4.890 ( -15.454 -0.000 10.644) 18.765 5.090 ( -0.195 -0.000 16.809) 16.810 5.339 ( 13.744 -0.000 6.653) 15.269 5.400 ( -11.469 -0.000 4.173) 12.204 5.508 ( -0.867 -0.000 18.623) 18.643 5.861 ( -11.782 0.000 -15.758) 19.676 6.111 ( -15.956 0.000 -4.462) 16.568 6.169 ( 8.373 0.000 -15.288) 17.430 6.330 ( -8.367 -0.000 4.930) 9.711 6.780 ( -7.218 0.000 -1.241) 7.324 6.875 ( 9.868 0.000 -4.494) 10.843 7.069 ( 14.706 0.000 -4.607) 15.411 7.236 ( -11.409 0.000 -16.034) 19.678 7.432 ( 23.687 -0.000 -0.526) 23.693 7.729 ( -0.655 -0.000 7.778) 7.806 7.864 ( -7.938 0.000 -1.937) 8.171 9.344 ( -2.195 -0.000 5.416) 5.844 9.440 ( -1.857 -0.000 0.903) 2.065 9.854 ( 3.099 -0.000 0.265) 3.110 9.862 ( -0.383 0.000 -1.636) 1.680 9.969 ( -4.192 0.000 -0.420) 4.213 10.090 ( 13.942 -0.000 3.489) 14.372 10.853 ( 1.625 -0.000 2.876) 3.304 11.049 ( 1.704 0.000 -6.937) 7.143 14.938 ( -0.768 -0.000 1.142) 1.376 15.208 ( 0.834 0.000 -11.873) 11.902 16.289 ( 8.198 -0.000 5.045) 9.625 16.449 ( -8.379 0.000 -8.139) 11.681 ======================= Grid point 66 (63/135) ======================= q-point: (-0.49 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.026 1.568 -12.353) 12.815 2.418 ( 10.918 -14.884 -4.442) 18.986 2.576 ( 13.573 -2.111 -5.926) 14.960 3.359 ( 5.671 5.832 1.354) 8.247 3.698 ( 4.822 -1.769 2.469) 5.699 3.887 ( 0.586 2.805 -0.375) 2.890 4.187 ( -6.100 -5.443 -6.150) 10.230 4.494 ( -3.159 12.755 -7.241) 15.004 4.548 ( -2.020 -12.252 -8.028) 14.786 4.646 ( 10.096 -2.338 -11.180) 15.245 4.785 ( -3.595 7.006 -7.297) 10.736 5.321 ( 22.282 5.984 -0.674) 23.081 5.462 ( 13.209 7.802 -0.351) 15.345 5.726 ( 2.256 -8.701 -1.990) 9.206 6.148 ( 5.689 5.176 -2.780) 8.179 6.272 ( 0.737 -7.306 -3.154) 7.992 6.514 ( 3.605 -3.459 13.990) 14.855 6.559 ( 3.639 7.635 3.202) 9.043 6.822 ( 0.284 3.490 11.097) 11.636 7.311 ( -8.890 -5.052 11.118) 15.105 7.559 ( -1.011 1.020 1.669) 2.201 7.697 ( -18.000 -8.117 6.692) 20.849 7.799 ( -7.496 2.818 -1.938) 8.240 8.119 ( -5.183 10.041 5.461) 12.550 9.213 ( 1.600 2.674 -6.138) 6.884 9.464 ( 0.356 2.150 -1.213) 2.494 9.853 ( -5.745 -6.951 -3.519) 9.680 9.933 ( -6.699 -3.264 0.010) 7.452 10.065 ( -5.574 5.213 -4.330) 8.775 10.172 ( -4.839 1.670 -0.993) 5.215 10.696 ( 1.524 -2.310 -2.331) 3.618 11.231 ( -4.185 -2.107 5.199) 6.999 14.862 ( 7.404 -0.026 0.353) 7.413 15.476 ( 5.097 -5.479 13.188) 15.163 16.082 ( -3.757 -5.845 -3.157) 7.632 16.740 ( -1.842 8.201 9.937) 13.015 ======================= Grid point 68 (64/135) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.228 -5.871 -15.563) 17.162 2.419 ( -4.287 -5.956 -18.697) 20.086 2.703 ( 1.428 8.024 1.355) 8.262 3.022 ( -10.874 -1.243 -1.642) 11.068 3.319 ( -6.174 7.207 7.270) 11.955 3.692 ( -4.381 5.001 6.655) 9.407 3.787 ( -14.908 -6.967 1.326) 16.509 4.015 ( -13.495 0.659 4.651) 14.289 4.512 ( 1.316 -8.354 1.645) 8.616 4.952 ( 9.002 -1.764 -5.921) 10.918 5.333 ( 9.450 9.145 4.873) 14.025 5.477 ( -0.693 -4.639 19.961) 20.504 5.615 ( -1.042 13.611 -5.008) 14.541 5.852 ( 5.070 -4.764 1.552) 7.128 5.972 ( -3.741 -0.763 -2.335) 4.475 6.107 ( -2.083 -1.824 -1.528) 3.163 6.193 ( -9.390 -1.272 -2.090) 9.704 6.227 ( 2.076 -3.764 5.037) 6.622 6.390 ( -2.972 0.828 -19.988) 20.224 6.798 ( 1.771 5.843 9.191) 11.034 7.501 ( -0.333 -6.243 3.086) 6.972 7.653 ( -6.009 -9.419 5.322) 12.375 8.305 ( 13.024 5.636 -3.532) 14.623 8.518 ( 5.042 8.264 1.846) 9.856 9.394 ( 0.680 3.300 1.050) 3.529 9.424 ( -0.461 2.079 -0.791) 2.271 9.822 ( 1.014 -13.531 1.041) 13.609 10.024 ( 3.201 -3.483 1.161) 4.871 10.469 ( 3.977 3.433 -1.252) 5.401 10.548 ( -0.650 2.741 -2.467) 3.745 10.978 ( 2.636 -4.518 -10.788) 11.990 11.448 ( 9.915 7.019 11.148) 16.487 14.821 ( -2.033 1.181 -6.922) 7.310 14.861 ( -2.952 1.539 3.524) 4.848 16.093 ( -0.921 -7.871 1.881) 8.145 16.549 ( -0.831 3.792 -6.765) 7.799 ======================= Grid point 70 (65/135) ======================= q-point: (-0.10 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.121 -0.000 4.070) 4.589 2.568 ( 13.568 -0.000 9.253) 16.423 2.771 ( 13.302 -0.000 11.099) 17.325 3.595 ( -4.862 0.000 -2.367) 5.408 3.646 ( -5.955 0.000 -1.895) 6.249 3.732 ( 2.428 0.000 -5.679) 6.176 4.155 ( -4.270 0.000 -0.049) 4.270 4.162 ( -2.010 -0.000 13.087) 13.241 4.748 ( 4.244 -0.000 12.053) 12.779 4.901 ( 6.340 -0.000 6.966) 9.419 4.974 ( -8.707 -0.000 1.654) 8.863 5.204 ( -0.924 -0.000 10.915) 10.954 5.516 ( -5.651 -0.000 1.583) 5.869 6.010 ( 27.264 0.000 -6.618) 28.055 6.281 ( -3.162 0.000 -1.274) 3.409 6.443 ( 26.305 -0.000 4.024) 26.611 6.453 ( -4.591 0.000 -10.545) 11.501 6.655 ( -20.824 0.000 -5.300) 21.488 7.046 ( -14.643 0.000 -3.073) 14.962 7.077 ( 13.964 0.000 -8.137) 16.162 7.205 ( -1.497 0.000 -11.405) 11.503 7.596 ( -0.728 -0.000 6.316) 6.358 7.638 ( -8.260 0.000 -1.401) 8.378 8.153 ( -9.537 0.000 -7.679) 12.244 9.294 ( -4.773 -0.000 6.493) 8.058 9.489 ( -3.829 -0.000 0.686) 3.890 9.652 ( 9.980 -0.000 5.956) 11.622 9.810 ( 0.147 0.000 -1.447) 1.454 10.033 ( -4.106 0.000 -2.658) 4.892 10.104 ( -8.370 -0.000 3.127) 8.936 10.759 ( 3.170 -0.000 1.644) 3.571 11.129 ( 1.605 0.000 -4.257) 4.549 14.937 ( 3.031 0.000 -2.211) 3.752 15.412 ( 3.312 0.000 -11.034) 11.520 16.027 ( 5.967 -0.000 4.289) 7.348 16.827 ( -8.116 0.000 -10.659) 13.397 ======================= Grid point 71 (66/135) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 7.716 -5.029 -11.433) 14.681 2.391 ( 8.660 -15.688 -12.846) 22.049 2.529 ( 0.305 3.441 -2.729) 4.402 3.181 ( 5.946 6.806 4.968) 10.312 3.505 ( 9.126 -1.759 0.246) 9.298 3.806 ( 2.411 5.017 6.513) 8.567 4.242 ( 22.363 -0.735 -8.756) 24.028 4.441 ( 13.351 1.001 0.257) 13.391 4.643 ( -0.794 -11.789 -0.428) 11.824 4.761 ( 0.297 0.958 -0.398) 1.079 4.919 ( 1.308 6.388 -17.086) 18.288 5.217 ( -7.313 5.888 -6.195) 11.249 5.448 ( 2.989 10.528 -12.855) 16.883 5.843 ( -2.438 -5.301 -7.613) 9.592 6.039 ( 3.361 -0.180 8.731) 9.358 6.166 ( 4.844 -0.431 3.049) 5.740 6.300 ( 3.340 -8.497 0.929) 9.177 6.413 ( 3.447 -0.788 3.225) 4.786 6.613 ( -0.343 9.846 8.138) 12.779 6.967 ( -1.643 -2.902 25.901) 26.115 7.633 ( -2.951 -4.131 -2.013) 5.461 7.822 ( -4.236 5.261 2.288) 7.131 7.984 ( -7.060 -5.100 -0.822) 8.749 8.214 ( -10.358 8.574 3.034) 13.784 9.278 ( 1.800 1.708 -4.937) 5.525 9.462 ( -0.940 0.568 2.929) 3.129 9.972 ( -3.808 -4.955 -0.304) 6.256 10.050 ( -5.924 -3.149 2.601) 7.195 10.312 ( -3.619 6.075 -5.028) 8.677 10.359 ( -8.039 -1.485 -1.077) 8.246 10.800 ( -2.397 -4.706 -8.177) 9.734 11.253 ( -9.130 3.824 6.201) 11.681 14.753 ( 6.627 -0.344 -4.953) 8.280 15.111 ( 3.824 -2.364 11.697) 12.532 16.217 ( -2.244 -5.669 -3.587) 7.074 16.531 ( 1.978 3.583 7.925) 8.919 ======================= Grid point 72 (67/135) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 23.644 -0.000) 23.644 0.603 ( 0.000 30.962 -0.000) 30.962 1.103 ( 0.000 56.839 -0.000) 56.839 2.824 ( -0.000 -7.785 0.000) 7.785 3.095 ( -0.000 -1.125 0.000) 1.125 3.667 ( -0.000 -0.047 0.000) 0.047 3.872 ( -0.000 -5.853 0.000) 5.853 4.166 ( -0.000 -6.381 0.000) 6.381 4.342 ( -0.000 -4.806 0.000) 4.806 4.422 ( 0.000 12.919 -0.000) 12.919 4.968 ( -0.000 -0.756 0.000) 0.756 5.106 ( -0.000 -9.604 0.000) 9.604 5.576 ( 0.000 3.521 -0.000) 3.521 5.595 ( -0.000 -16.432 0.000) 16.432 6.259 ( -0.000 -1.754 0.000) 1.754 6.306 ( -0.000 -15.138 0.000) 15.138 6.505 ( 0.000 3.792 -0.000) 3.792 6.536 ( 0.000 11.109 -0.000) 11.109 7.392 ( -0.000 -14.902 0.000) 14.902 7.408 ( 0.000 2.763 -0.000) 2.763 7.610 ( 0.000 5.816 -0.000) 5.816 8.117 ( 0.000 16.412 -0.000) 16.412 8.555 ( -0.000 -17.082 0.000) 17.082 8.673 ( 0.000 3.383 -0.000) 3.383 9.162 ( -0.000 -9.694 0.000) 9.694 9.545 ( -0.000 -4.711 0.000) 4.711 9.701 ( 0.000 11.980 -0.000) 11.980 9.842 ( 0.000 2.612 -0.000) 2.612 10.235 ( 0.000 8.543 -0.000) 8.543 10.433 ( -0.000 -2.502 0.000) 2.502 10.628 ( 0.000 1.789 -0.000) 1.789 11.586 ( 0.000 0.145 -0.000) 0.145 14.366 ( -0.000 -0.906 0.000) 0.906 15.455 ( 0.000 5.002 -0.000) 5.002 16.008 ( -0.000 -0.741 0.000) 0.741 17.574 ( -0.000 -2.981 0.000) 2.981 ======================= Grid point 73 (68/135) ======================= q-point: ( 0.70 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -1.403 3.677 2.488) 4.657 2.582 ( 2.433 0.433 0.211) 2.481 3.005 ( -12.977 5.996 -6.909) 15.878 3.152 ( -4.655 13.380 1.502) 14.247 3.422 ( -4.082 -6.579 -0.829) 7.787 3.696 ( -5.742 0.973 0.359) 5.835 4.116 ( -19.688 -8.245 5.920) 22.151 4.375 ( -0.055 -8.497 4.596) 9.661 4.409 ( -25.662 0.615 4.664) 26.090 4.718 ( 12.837 -7.983 2.210) 15.277 5.066 ( -2.240 1.684 11.958) 12.282 5.097 ( -1.461 6.757 11.117) 13.092 5.527 ( 0.501 7.080 15.242) 16.814 5.761 ( 1.754 -5.635 2.747) 6.510 6.012 ( 0.302 -2.948 6.204) 6.875 6.075 ( -1.255 -0.576 4.014) 4.245 6.207 ( -2.333 -0.523 -14.565) 14.760 6.503 ( -5.655 0.849 -8.297) 10.077 6.735 ( -4.551 2.062 -0.427) 5.014 7.072 ( 1.029 1.720 -32.857) 32.918 7.489 ( -4.402 -1.535 3.706) 5.956 7.658 ( -5.527 -8.079 4.990) 10.987 8.005 ( 18.258 2.826 -0.384) 18.479 8.305 ( 14.516 4.679 -1.720) 15.348 9.291 ( -0.119 1.738 5.196) 5.480 9.442 ( 1.280 -1.033 1.407) 2.164 9.819 ( -0.390 -7.246 -1.910) 7.504 9.949 ( 3.245 -2.285 -0.978) 4.087 10.314 ( 10.712 2.365 1.345) 11.052 10.568 ( 5.075 3.763 -0.910) 6.383 10.989 ( 8.303 3.776 10.181) 13.669 11.147 ( 2.778 -1.440 -10.141) 10.613 14.775 ( -5.466 1.280 5.265) 7.697 15.191 ( -2.520 0.428 -15.272) 15.484 16.151 ( -5.463 -3.781 -1.041) 6.725 16.605 ( 6.710 3.119 -4.437) 8.627 ======================= Grid point 74 (69/135) ======================= q-point: ( 0.30 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 1.225 -2.698 -9.931) 10.364 2.663 ( -10.841 7.528 -3.087) 13.555 2.854 ( -8.572 0.944 -5.769) 10.376 3.461 ( -4.907 -3.751 2.090) 6.521 3.727 ( 1.449 0.999 2.385) 2.964 3.863 ( 5.102 3.043 1.092) 6.040 3.958 ( 8.159 -2.865 -2.097) 8.899 4.477 ( 0.098 2.611 -3.630) 4.472 4.539 ( -0.086 -0.777 -9.647) 9.679 4.749 ( -1.432 -6.264 -15.356) 16.646 4.786 ( -2.767 0.761 -12.014) 12.352 5.510 ( 0.077 2.122 -4.489) 4.966 5.742 ( -1.109 3.735 -1.017) 4.027 5.885 ( -13.943 -3.527 0.206) 14.384 6.243 ( -6.447 -1.127 4.125) 7.736 6.428 ( -4.708 4.908 6.263) 9.246 6.568 ( -4.695 3.168 8.917) 10.564 6.614 ( 0.830 -6.188 4.590) 7.749 6.883 ( -9.474 -3.570 5.388) 11.469 7.120 ( 7.387 1.216 3.600) 8.307 7.255 ( 20.438 4.389 3.303) 21.164 7.555 ( -0.131 -0.387 5.202) 5.218 7.644 ( 5.634 -1.539 -1.220) 5.967 8.043 ( 2.981 -4.379 6.087) 8.069 9.222 ( 0.594 -1.453 -7.644) 7.804 9.520 ( -2.933 -1.533 -0.315) 3.324 9.733 ( 3.464 4.255 -6.642) 8.615 9.840 ( 1.933 1.118 0.702) 2.341 9.967 ( 2.980 -1.862 0.622) 3.568 10.097 ( 2.504 -0.855 -0.549) 2.702 10.728 ( -1.330 0.066 -1.761) 2.208 11.180 ( 0.722 1.328 5.811) 6.004 14.975 ( -2.726 0.342 1.859) 3.318 15.573 ( -3.472 4.932 14.400) 15.612 16.030 ( 0.188 1.423 -4.671) 4.887 16.680 ( 3.503 -5.232 7.808) 10.031 ======================= Grid point 75 (70/135) ======================= q-point: (-0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 22.387 -0.000 13.525) 26.156 1.964 ( 23.189 -0.000 3.059) 23.389 2.466 ( -7.061 -0.000 4.503) 8.375 3.372 ( 33.553 -0.000 3.018) 33.688 3.778 ( -5.989 0.000 0.195) 5.992 3.891 ( -7.402 0.000 -3.297) 8.103 3.900 ( -2.314 -0.000 9.833) 10.101 4.086 ( -1.142 -0.000 7.488) 7.574 4.391 ( 11.775 -0.000 2.964) 12.143 4.865 ( -4.041 -0.000 4.117) 5.769 5.195 ( -9.360 0.000 -3.055) 9.846 5.233 ( -10.186 0.000 -4.190) 11.014 5.489 ( 29.045 -0.000 -2.990) 29.198 5.564 ( -3.157 -0.000 2.642) 4.117 5.800 ( 21.070 -0.000 5.606) 21.803 6.292 ( -2.996 -0.000 2.395) 3.835 6.686 ( 5.960 0.000 -10.050) 11.684 6.909 ( 11.496 0.000 -3.529) 12.026 7.159 ( -13.436 0.000 -7.429) 15.353 7.461 ( -18.148 0.000 2.018) 18.260 7.474 ( 0.355 -0.000 4.489) 4.503 7.647 ( -7.763 0.000 -15.284) 17.143 7.748 ( -7.624 -0.000 1.675) 7.806 8.500 ( -8.154 0.000 -5.540) 9.858 9.250 ( -5.395 -0.000 8.107) 9.738 9.394 ( 3.132 -0.000 4.196) 5.236 9.555 ( -3.195 -0.000 0.506) 3.235 9.865 ( -1.249 0.000 -0.884) 1.530 10.167 ( -5.681 -0.000 4.903) 7.504 10.185 ( -5.932 0.000 -1.017) 6.018 10.649 ( 4.668 -0.000 0.722) 4.723 11.174 ( -1.171 0.000 -0.612) 1.321 14.853 ( 9.351 0.000 -1.596) 9.486 15.518 ( 4.344 0.000 -6.418) 7.750 15.905 ( -0.908 -0.000 1.840) 2.052 17.231 ( -6.842 0.000 -12.448) 14.205 ======================= Grid point 78 (71/135) ======================= q-point: ( 0.69 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 2.829 6.718 7.958) 10.791 2.612 ( -8.438 -1.003 1.856) 8.698 3.119 ( -1.347 14.327 3.912) 14.913 3.244 ( -5.745 1.927 3.386) 6.941 3.657 ( -5.311 -0.059 -9.214) 10.635 3.732 ( 0.754 -6.324 -0.580) 6.395 4.051 ( 3.824 -4.817 12.663) 14.077 4.296 ( 2.037 -7.761 10.287) 13.046 4.530 ( -5.309 -0.713 -4.800) 7.192 4.774 ( -2.814 0.147 10.000) 10.389 4.995 ( -11.351 1.484 6.116) 12.979 5.120 ( -12.571 -0.364 5.557) 13.749 5.269 ( -8.017 7.959 8.593) 14.194 5.726 ( -7.844 -12.543 0.513) 14.802 5.952 ( -8.657 -8.185 2.837) 12.247 6.068 ( -4.197 5.228 3.730) 7.672 6.575 ( -0.802 -0.695 -13.909) 13.949 6.771 ( -4.008 0.068 -7.649) 8.636 6.885 ( -4.198 7.151 -3.002) 8.819 7.466 ( 2.995 1.303 3.691) 4.928 7.530 ( 9.436 1.834 -7.197) 12.009 7.619 ( 5.380 -4.861 -2.484) 7.665 7.808 ( -3.943 -3.486 -10.479) 11.727 7.977 ( 23.631 4.007 -5.484) 24.588 9.182 ( -0.781 0.060 6.493) 6.541 9.374 ( -1.187 -1.723 2.823) 3.514 9.880 ( -0.764 -2.312 -1.669) 2.952 9.926 ( 1.976 -1.201 -0.968) 2.507 10.031 ( 9.580 1.075 2.506) 9.961 10.260 ( 13.151 3.031 6.639) 15.040 10.806 ( 0.316 2.243 1.754) 2.865 11.274 ( 3.853 0.361 -7.773) 8.683 14.845 ( -6.726 -0.067 0.928) 6.790 15.541 ( 0.013 -1.718 -14.023) 14.128 16.325 ( -2.703 5.128 -2.047) 6.148 16.505 ( 5.622 -3.193 -3.895) 7.548 ======================= Grid point 79 (72/135) ======================= q-point: (-0.71 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.240 -1.344 -10.302) 10.392 2.717 ( 3.320 -0.819 5.049) 6.098 3.070 ( 2.089 -5.438 -9.025) 10.742 3.388 ( 7.096 -0.784 2.990) 7.740 3.626 ( 2.026 4.166 3.253) 5.661 3.749 ( -0.625 3.009 5.899) 6.651 4.038 ( -9.946 -0.567 -6.875) 12.104 4.360 ( -3.984 0.288 8.098) 9.030 4.903 ( 5.264 1.517 -20.782) 21.492 5.123 ( 1.063 0.003 -18.518) 18.549 5.200 ( 0.288 -4.917 -16.628) 17.342 5.559 ( 4.848 5.367 -3.975) 8.253 5.627 ( 14.172 6.561 -0.219) 15.619 5.892 ( 6.439 -0.833 12.804) 14.356 6.103 ( -5.821 -1.853 4.263) 7.449 6.299 ( 0.878 -1.029 8.015) 8.128 6.333 ( 5.547 6.059 5.937) 10.136 6.505 ( -2.723 -6.507 6.284) 9.447 6.833 ( 13.234 -2.144 0.036) 13.406 7.067 ( 0.682 -2.700 6.128) 6.731 7.288 ( -13.757 0.238 5.168) 14.698 7.351 ( -13.995 -0.220 3.226) 14.363 7.713 ( -0.808 0.511 -5.315) 5.400 7.884 ( 1.329 1.116 3.556) 3.957 9.356 ( 1.200 0.245 -6.003) 6.127 9.482 ( 3.356 1.772 0.585) 3.840 9.847 ( -4.037 -0.884 -0.341) 4.147 9.870 ( -0.876 0.370 0.818) 1.254 9.983 ( -5.745 -1.202 -3.980) 7.091 10.072 ( -2.572 1.011 0.539) 2.815 10.805 ( -0.760 -1.486 -3.788) 4.139 11.048 ( -1.329 -0.112 7.308) 7.429 14.962 ( 2.282 0.890 -1.616) 2.935 15.294 ( 0.773 1.137 13.413) 13.484 16.194 ( -3.545 -3.324 -5.922) 7.661 16.457 ( 2.001 1.509 7.592) 7.995 ======================= Grid point 80 (73/135) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 27.133 0.000 0.000) 27.133 1.323 ( 30.211 0.000 0.000) 30.211 2.390 ( 50.852 0.000 0.000) 50.852 2.650 ( -10.669 -0.000 -0.000) 10.669 3.702 ( 1.102 0.000 0.000) 1.102 3.760 ( 20.830 0.000 0.000) 20.830 4.026 ( -7.723 -0.000 -0.000) 7.723 4.078 ( -5.549 -0.000 -0.000) 5.549 4.267 ( 0.065 0.000 0.000) 0.065 4.887 ( -3.501 -0.000 -0.000) 3.501 4.974 ( 21.069 0.000 0.000) 21.069 5.376 ( 10.504 0.000 0.000) 10.504 5.442 ( -9.350 -0.000 -0.000) 9.350 5.555 ( -0.057 -0.000 -0.000) 0.057 5.585 ( -10.989 -0.000 -0.000) 10.989 6.349 ( -4.183 -0.000 -0.000) 4.183 6.637 ( 7.339 0.000 0.000) 7.339 6.769 ( 6.011 0.000 0.000) 6.011 7.393 ( 1.071 0.000 0.000) 1.071 7.489 ( -6.561 -0.000 -0.000) 6.561 7.574 ( -3.003 -0.000 -0.000) 3.003 8.037 ( -15.982 -0.000 -0.000) 15.982 8.070 ( -10.019 -0.000 -0.000) 10.019 8.688 ( -3.774 -0.000 -0.000) 3.774 9.218 ( -3.754 -0.000 -0.000) 3.754 9.356 ( -3.467 -0.000 -0.000) 3.467 9.601 ( -1.707 -0.000 -0.000) 1.707 9.852 ( 1.336 0.000 0.000) 1.336 10.168 ( -0.657 -0.000 -0.000) 0.657 10.317 ( -5.575 -0.000 -0.000) 5.575 10.539 ( 4.776 0.000 0.000) 4.776 11.215 ( -3.135 -0.000 -0.000) 3.135 14.640 ( 10.852 0.000 0.000) 10.852 15.498 ( 3.883 0.000 0.000) 3.883 15.953 ( -4.086 -0.000 -0.000) 4.086 17.580 ( -7.861 -0.000 -0.000) 7.861 ======================= Grid point 81 (74/135) ======================= q-point: ( 0.49 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 12.812 12.159) 17.663 2.432 ( 0.000 14.128 16.932) 22.052 2.577 ( -0.000 0.006 -5.667) 5.667 2.944 ( -0.000 -6.501 -14.342) 15.747 3.326 ( 0.000 12.887 7.651) 14.987 3.375 ( -0.000 -11.798 -6.105) 13.284 3.754 ( -0.000 -8.965 -1.626) 9.111 3.755 ( 0.000 0.540 2.629) 2.684 4.680 ( -0.000 -13.593 13.601) 19.229 4.930 ( 0.000 7.833 12.425) 14.688 5.008 ( 0.000 10.379 1.031) 10.430 5.183 ( -0.000 -10.288 18.995) 21.602 5.579 ( -0.000 -2.324 -8.164) 8.489 5.699 ( 0.000 -0.975 19.767) 19.791 5.990 ( 0.000 2.077 8.079) 8.342 6.125 ( -0.000 4.680 -14.911) 15.628 6.188 ( -0.000 -2.498 -1.068) 2.717 6.364 ( -0.000 -8.444 -10.308) 13.325 6.581 ( 0.000 7.722 -1.213) 7.816 7.062 ( -0.000 3.174 -35.198) 35.341 7.659 ( -0.000 -11.141 5.201) 12.295 7.699 ( -0.000 -13.807 2.591) 14.048 8.216 ( 0.000 11.195 6.459) 12.924 8.477 ( 0.000 5.107 -7.734) 9.268 9.275 ( 0.000 2.355 5.415) 5.905 9.497 ( -0.000 -0.621 -4.442) 4.485 10.039 ( -0.000 -12.104 3.191) 12.517 10.104 ( -0.000 -1.723 0.174) 1.732 10.452 ( 0.000 6.973 -2.391) 7.372 10.549 ( 0.000 3.323 -3.684) 4.962 11.091 ( 0.000 9.943 14.208) 17.341 11.355 ( -0.000 -8.655 -8.004) 11.788 14.589 ( 0.000 1.399 8.255) 8.373 15.067 ( -0.000 3.024 -14.832) 15.137 16.138 ( -0.000 -6.571 5.358) 8.479 16.651 ( 0.000 7.940 -11.246) 13.767 ======================= Grid point 83 (75/135) ======================= q-point: (-0.32 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.509 7.464 5.119) 9.065 2.643 ( 2.283 -4.117 4.544) 6.543 2.938 ( 11.137 -0.066 2.616) 11.440 3.429 ( -12.843 4.134 -0.567) 13.504 3.678 ( 1.669 -1.343 4.838) 5.291 3.698 ( -0.389 0.245 4.247) 4.272 3.915 ( 1.121 -2.832 -1.663) 3.471 4.148 ( -5.334 -7.925 3.998) 10.356 4.609 ( 0.397 3.648 2.905) 4.681 4.660 ( 1.911 11.026 2.910) 11.562 4.807 ( 2.074 4.842 3.045) 6.084 5.250 ( -1.845 -9.544 2.034) 9.931 5.405 ( -9.763 -8.230 2.058) 12.934 6.071 ( -4.305 5.911 2.350) 7.681 6.164 ( -24.929 -5.972 -0.285) 25.636 6.336 ( -24.917 -1.332 -3.187) 25.155 6.680 ( 11.894 -4.743 -5.161) 13.805 6.905 ( 17.872 3.359 -3.196) 18.463 7.005 ( -1.858 -1.637 -3.771) 4.511 7.170 ( 0.054 7.396 0.719) 7.431 7.454 ( -1.892 -1.827 4.177) 4.936 7.562 ( 23.049 5.671 -5.677) 24.405 7.689 ( 0.348 -5.128 -3.146) 6.026 8.142 ( -3.524 1.848 -9.098) 9.930 9.065 ( -1.446 1.206 5.843) 6.139 9.397 ( -4.590 -2.090 1.453) 5.248 9.743 ( 10.068 1.894 4.796) 11.311 9.868 ( 2.028 -0.355 -0.919) 2.255 9.929 ( -1.798 -0.067 1.337) 2.242 10.056 ( 0.291 -1.057 -0.743) 1.325 10.772 ( 1.611 2.079 0.348) 2.653 11.305 ( 4.523 -0.318 -3.737) 5.876 14.981 ( -4.618 -1.277 -1.281) 4.960 15.744 ( 2.443 -4.590 -7.279) 8.946 16.159 ( 12.765 2.461 -0.245) 13.002 16.737 ( -11.276 2.362 -4.712) 12.447 ======================= Grid point 84 (76/135) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 3.424 2.561 -2.477) 4.942 2.529 ( 2.172 -2.287 4.511) 5.504 3.006 ( 12.615 2.590 12.235) 17.764 3.127 ( 7.594 -9.507 -9.120) 15.206 3.629 ( 0.580 5.330 -2.265) 5.820 3.710 ( -0.817 -2.753 -0.387) 2.897 4.385 ( -11.254 2.410 0.237) 11.512 4.422 ( -10.588 -0.293 -1.089) 10.648 4.926 ( 18.888 9.848 4.411) 21.753 5.059 ( 24.809 -3.403 -7.332) 26.093 5.245 ( 12.488 2.316 1.593) 12.800 5.369 ( 3.367 -10.126 3.181) 11.135 5.610 ( -0.750 6.008 -8.164) 10.165 5.711 ( -1.605 -3.412 3.472) 5.125 6.091 ( -1.098 4.257 1.235) 4.566 6.140 ( -3.191 1.401 0.897) 3.598 6.340 ( 0.678 5.792 -4.025) 7.086 6.489 ( -0.942 -7.453 -0.401) 7.523 6.602 ( 11.168 0.995 3.279) 11.681 6.667 ( 7.118 -5.644 2.116) 9.327 7.548 ( -12.690 4.196 -1.263) 13.426 7.616 ( -7.510 -2.386 2.360) 8.225 7.878 ( -2.917 1.301 -0.903) 3.319 7.919 ( -11.156 -3.177 -2.811) 11.936 9.392 ( 2.100 0.786 -0.439) 2.285 9.420 ( 1.847 -1.779 -0.456) 2.604 9.898 ( -3.708 3.839 -0.030) 5.337 9.926 ( -3.192 1.268 0.835) 3.534 10.145 ( -8.813 3.901 -1.760) 9.798 10.264 ( -9.345 -7.097 1.493) 11.829 10.922 ( -2.017 1.582 7.589) 8.010 10.959 ( -4.112 -2.077 -6.584) 8.035 14.981 ( 4.261 1.937 -4.400) 6.425 15.013 ( 3.868 -0.919 5.483) 6.773 16.276 ( 0.291 5.977 4.527) 7.504 16.399 ( -2.496 -6.299 -4.582) 8.180 ======================= Grid point 86 (77/135) ======================= q-point: ( 0.48 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -2.286 11.942 16.844) 20.774 2.242 ( -10.510 20.547 13.481) 26.728 2.620 ( 2.362 2.375 0.115) 3.351 3.121 ( -2.356 13.302 1.358) 13.577 3.338 ( -9.501 -4.608 -1.581) 10.677 3.608 ( -11.354 -9.863 -3.702) 15.489 3.760 ( -6.202 2.192 4.717) 8.094 4.013 ( -14.758 -10.290 -4.543) 18.556 4.278 ( -5.391 -2.074 20.159) 20.971 4.776 ( 3.513 -3.409 3.105) 5.797 4.902 ( 1.200 -6.526 6.487) 9.280 4.967 ( 1.245 4.665 1.455) 5.043 5.167 ( 10.516 -0.594 13.181) 16.873 5.742 ( -5.902 -5.440 3.118) 8.611 5.849 ( 0.058 1.315 4.956) 5.128 6.167 ( 1.117 -7.168 1.677) 7.446 6.445 ( -1.859 3.732 -12.826) 13.486 6.611 ( -1.168 -0.879 -7.436) 7.579 6.667 ( -2.248 1.492 -6.910) 7.418 7.510 ( 0.948 -10.826 5.945) 12.387 7.682 ( -1.271 -11.080 -3.254) 11.618 7.772 ( 0.993 1.814 -26.311) 26.392 8.045 ( 3.776 8.189 4.847) 10.238 8.559 ( 7.684 4.922 -7.538) 11.836 9.157 ( 0.545 1.678 5.007) 5.308 9.504 ( 2.086 -4.415 2.311) 5.402 9.968 ( -0.147 -7.696 2.674) 8.149 10.082 ( 3.025 -0.707 -1.034) 3.274 10.436 ( 8.133 6.735 -1.935) 10.736 10.560 ( 4.609 6.040 2.774) 8.088 10.762 ( 1.147 5.034 9.854) 11.125 11.446 ( 3.843 -3.543 -5.648) 7.695 14.515 ( -6.485 0.063 4.671) 7.992 15.413 ( -2.080 5.715 -14.873) 16.068 16.094 ( -4.389 -3.558 2.850) 6.328 16.857 ( 5.347 4.507 -12.549) 14.366 ======================= Grid point 88 (78/135) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 3.083 10.209 0.000) 10.665 2.428 ( 8.580 -9.644 0.000) 12.909 2.546 ( 20.867 -7.679 0.000) 22.235 3.620 ( -3.836 6.368 -0.000) 7.434 3.665 ( -2.050 1.257 -0.000) 2.404 3.755 ( -9.439 -3.813 -0.000) 10.180 3.954 ( -3.824 -4.812 -0.000) 6.146 4.011 ( 14.503 -0.165 0.000) 14.504 4.546 ( 3.575 -1.261 0.000) 3.791 4.637 ( -5.050 18.934 -0.000) 19.596 4.769 ( -0.386 0.909 -0.000) 0.988 5.349 ( -7.940 -10.421 -0.000) 13.102 5.508 ( -4.197 -6.249 -0.000) 7.527 6.074 ( 3.476 9.846 0.000) 10.442 6.226 ( 24.491 -6.630 0.000) 25.373 6.344 ( 24.026 -1.797 0.000) 24.093 6.760 ( -15.756 -2.918 -0.000) 16.024 6.960 ( -24.849 0.630 -0.000) 24.857 7.009 ( 6.820 3.145 0.000) 7.511 7.168 ( 3.755 2.677 0.000) 4.611 7.438 ( -0.968 -1.858 -0.000) 2.095 7.455 ( -8.105 6.537 -0.000) 10.413 7.767 ( -4.524 -7.468 -0.000) 8.731 8.341 ( -6.741 4.850 -0.000) 8.304 9.027 ( -1.701 3.149 -0.000) 3.579 9.463 ( 0.635 -3.517 0.000) 3.574 9.515 ( 2.150 0.611 0.000) 2.235 9.895 ( 0.433 -0.286 0.000) 0.519 9.955 ( -5.022 1.784 -0.000) 5.330 10.105 ( -3.269 -0.196 -0.000) 3.275 10.716 ( 3.261 1.245 0.000) 3.491 11.262 ( 2.655 -2.808 0.000) 3.865 15.031 ( 2.646 -1.293 0.000) 2.945 15.757 ( 3.599 -7.249 0.000) 8.093 15.936 ( 6.394 0.075 0.000) 6.394 17.049 ( -11.798 7.183 -0.000) 13.812 ======================= Grid point 90 (79/135) ======================= q-point: (-0.12 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 0.000 -26.039) 26.039 1.208 ( -0.000 0.000 -27.684) 27.684 1.974 ( -0.000 0.000 -37.278) 37.278 2.903 ( 0.000 -0.000 0.637) 0.637 3.447 ( -0.000 0.000 -3.907) 3.907 3.818 ( 0.000 -0.000 3.977) 3.977 3.930 ( 0.000 -0.000 11.149) 11.149 4.236 ( -0.000 0.000 -22.363) 22.363 4.252 ( 0.000 -0.000 5.816) 5.816 4.383 ( -0.000 0.000 -2.999) 2.999 5.317 ( -0.000 0.000 -11.812) 11.812 5.386 ( -0.000 0.000 -10.783) 10.783 5.572 ( -0.000 0.000 -1.179) 1.179 5.777 ( -0.000 0.000 -4.719) 4.719 5.810 ( -0.000 0.000 -1.047) 1.047 6.067 ( 0.000 -0.000 11.421) 11.421 6.189 ( 0.000 -0.000 4.068) 4.068 6.386 ( 0.000 -0.000 11.313) 11.313 7.170 ( 0.000 -0.000 16.598) 16.598 7.466 ( 0.000 -0.000 7.960) 7.960 7.547 ( 0.000 -0.000 6.216) 6.216 7.556 ( 0.000 -0.000 0.588) 0.588 8.496 ( 0.000 -0.000 1.584) 1.584 8.567 ( -0.000 0.000 -0.767) 0.767 9.441 ( -0.000 0.000 -4.259) 4.259 9.554 ( 0.000 -0.000 2.048) 2.048 9.614 ( -0.000 0.000 -0.133) 0.133 10.090 ( 0.000 -0.000 2.068) 2.068 10.452 ( -0.000 0.000 -1.826) 1.826 10.559 ( -0.000 0.000 -6.243) 6.243 10.567 ( 0.000 -0.000 1.483) 1.483 12.099 ( 0.000 -0.000 7.699) 7.699 14.447 ( -0.000 0.000 -4.168) 4.168 15.247 ( 0.000 -0.000 7.136) 7.136 16.041 ( 0.000 -0.000 0.934) 0.934 16.181 ( -0.000 0.000 -7.318) 7.318 ======================= Grid point 91 (80/135) ======================= q-point: ( 0.47 -0.35 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -9.201 12.220 11.808) 19.324 2.331 ( -15.025 18.371 3.667) 24.015 2.523 ( 0.806 4.043 3.416) 5.354 3.184 ( -5.178 6.652 -0.832) 8.471 3.505 ( -9.308 -4.330 8.292) 13.196 3.735 ( -2.693 1.128 0.120) 2.922 3.985 ( -12.599 -4.824 -1.112) 13.537 4.168 ( -9.311 1.850 9.319) 13.302 4.453 ( -12.250 -3.722 -2.769) 13.100 4.661 ( 2.614 -0.520 3.468) 4.374 4.740 ( 1.063 0.232 3.447) 3.614 4.810 ( 0.251 -5.652 3.228) 6.514 4.974 ( -6.228 -6.072 -0.416) 8.708 5.775 ( -4.733 -4.548 3.234) 7.317 5.807 ( -3.052 0.339 1.446) 3.394 6.073 ( 2.713 -12.431 2.615) 12.990 6.707 ( -0.478 4.936 -2.862) 5.726 6.735 ( -4.404 4.192 -7.074) 9.328 6.907 ( -2.730 -3.073 -7.399) 8.464 7.403 ( -1.269 -5.616 4.154) 7.099 7.755 ( -0.402 -9.562 -1.182) 9.643 7.805 ( 6.892 -1.773 3.002) 7.724 8.233 ( 6.451 5.694 -18.308) 20.229 8.468 ( 16.713 5.159 -7.440) 19.008 9.043 ( 0.237 0.076 5.463) 5.469 9.360 ( 1.334 -4.763 4.897) 6.961 9.926 ( 0.434 -1.040 1.644) 1.993 10.005 ( 4.836 2.959 1.481) 5.859 10.195 ( 12.162 3.188 1.112) 12.622 10.255 ( 7.187 1.514 5.476) 9.162 10.713 ( -1.145 4.102 0.343) 4.273 11.465 ( 3.960 1.998 -3.748) 5.807 14.647 ( -10.490 -1.418 0.951) 10.628 15.730 ( -2.822 5.644 -8.829) 10.852 16.173 ( -4.972 1.920 0.329) 5.340 16.913 ( 10.981 -5.320 -8.290) 14.752 ======================= Grid point 95 (81/135) ======================= q-point: (-0.13 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -10.846 0.000 -23.119) 25.537 1.924 ( -11.786 0.000 -22.018) 24.974 2.736 ( -13.791 0.000 -17.457) 22.247 2.828 ( 4.229 -0.000 0.675) 4.283 3.689 ( -1.407 -0.000 11.420) 11.506 3.695 ( -17.866 0.000 -1.519) 17.930 3.854 ( -6.963 -0.000 5.271) 8.733 4.143 ( -5.699 -0.000 6.162) 8.394 4.440 ( -1.274 0.000 -1.123) 1.698 4.674 ( 3.908 0.000 -18.373) 18.784 5.458 ( 11.730 0.000 -3.658) 12.287 5.537 ( 5.610 0.000 -4.429) 7.148 5.689 ( 1.656 0.000 -23.971) 24.029 5.751 ( 2.772 -0.000 6.555) 7.117 5.864 ( -0.645 0.000 -9.553) 9.575 5.947 ( -3.423 -0.000 8.662) 9.314 6.145 ( -5.108 -0.000 8.849) 10.217 6.238 ( -11.138 -0.000 5.516) 12.429 6.717 ( -1.654 -0.000 24.598) 24.654 7.113 ( 8.465 -0.000 11.923) 14.622 7.512 ( -3.067 -0.000 1.433) 3.385 7.643 ( -8.506 -0.000 4.363) 9.559 8.294 ( 14.899 0.000 -2.302) 15.075 8.617 ( 3.426 -0.000 -0.197) 3.432 9.478 ( 1.235 -0.000 1.593) 2.015 9.508 ( 0.725 0.000 -1.849) 1.986 9.606 ( -0.913 -0.000 1.538) 1.789 10.013 ( 3.103 -0.000 1.808) 3.591 10.475 ( 2.839 0.000 -1.621) 3.269 10.544 ( 0.178 0.000 -0.589) 0.615 10.711 ( 1.368 0.000 -9.629) 9.725 11.722 ( 15.261 -0.000 6.971) 16.778 14.618 ( -3.679 0.000 -7.700) 8.534 15.066 ( -0.132 -0.000 8.501) 8.502 16.016 ( 0.178 -0.000 0.309) 0.357 16.476 ( -9.014 0.000 -2.816) 9.444 ======================= Grid point 96 (82/135) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -3.292 7.724 -0.000) 8.396 2.514 ( -6.203 2.422 -0.000) 6.659 2.669 ( -15.771 18.904 -0.000) 24.618 3.332 ( -4.716 -6.294 -0.000) 7.865 3.481 ( -1.733 -2.636 -0.000) 3.155 3.829 ( -4.972 -0.274 -0.000) 4.979 4.099 ( 4.414 -0.743 0.000) 4.476 4.136 ( 0.188 -9.906 0.000) 9.908 4.391 ( 5.589 15.375 0.000) 16.360 4.570 ( -0.097 1.115 -0.000) 1.120 4.776 ( 0.588 0.799 0.000) 0.992 5.120 ( -20.433 -6.448 -0.000) 21.426 5.296 ( -19.050 -11.875 -0.000) 22.448 5.834 ( -3.598 4.868 -0.000) 6.054 5.939 ( -12.122 -2.627 -0.000) 12.403 6.040 ( -6.745 -14.763 -0.000) 16.231 6.736 ( -0.496 9.033 -0.000) 9.047 6.934 ( -4.832 2.239 -0.000) 5.326 7.047 ( -2.805 -3.217 -0.000) 4.268 7.365 ( 5.775 -0.181 0.000) 5.778 7.484 ( 11.464 -1.710 0.000) 11.591 7.836 ( -0.181 -9.167 0.000) 9.169 8.080 ( 25.169 3.359 0.000) 25.392 8.275 ( 7.972 4.572 0.000) 9.190 8.961 ( -0.192 0.421 -0.000) 0.463 9.332 ( -3.001 -2.281 -0.000) 3.769 9.808 ( 7.430 4.809 0.000) 8.851 9.913 ( 0.764 0.649 0.000) 1.003 9.985 ( 6.725 -1.116 0.000) 6.817 10.119 ( 2.717 -2.135 0.000) 3.455 10.727 ( -0.367 3.579 -0.000) 3.597 11.420 ( 4.138 2.685 0.000) 4.933 14.864 ( -9.829 -1.898 -0.000) 10.011 15.869 ( -1.657 1.515 -0.000) 2.245 16.229 ( 1.414 10.871 -0.000) 10.962 16.785 ( 6.575 -11.508 0.000) 13.254 ======================= Grid point 99 (83/135) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 17.372 24.461) 30.002 1.328 ( 0.000 25.716 13.092) 28.857 2.254 ( 0.000 46.861 9.185) 47.753 2.688 ( -0.000 -5.079 0.140) 5.081 3.181 ( 0.000 -3.443 9.015) 9.650 3.705 ( -0.000 -9.845 -0.837) 9.881 3.814 ( 0.000 -0.643 13.210) 13.225 3.937 ( -0.000 -9.413 -4.801) 10.567 4.168 ( -0.000 -8.420 -4.637) 9.612 4.717 ( 0.000 15.301 0.541) 15.311 4.908 ( -0.000 -12.485 3.859) 13.068 5.057 ( 0.000 -0.923 7.997) 8.050 5.202 ( -0.000 -15.938 -3.719) 16.366 5.692 ( 0.000 3.061 4.151) 5.158 5.928 ( -0.000 -16.347 -2.417) 16.525 6.233 ( -0.000 -3.515 1.164) 3.703 6.533 ( 0.000 4.559 -5.802) 7.379 6.614 ( 0.000 13.153 -8.438) 15.627 6.987 ( -0.000 -10.983 -9.990) 14.847 7.527 ( -0.000 -4.516 7.909) 9.107 7.781 ( 0.000 9.538 1.689) 9.687 8.081 ( -0.000 -22.260 -2.192) 22.368 8.195 ( 0.000 12.130 -19.907) 23.312 8.699 ( 0.000 4.412 -5.149) 6.781 9.064 ( -0.000 -3.076 3.379) 4.569 9.551 ( -0.000 -5.592 5.076) 7.552 9.982 ( -0.000 -5.941 8.140) 10.078 9.999 ( 0.000 10.165 5.273) 11.451 10.404 ( 0.000 10.221 -1.971) 10.410 10.416 ( 0.000 -0.925 4.243) 4.343 10.654 ( 0.000 1.818 -0.764) 1.972 11.628 ( -0.000 -5.111 2.601) 5.734 14.366 ( -0.000 -1.027 2.181) 2.411 15.500 ( 0.000 7.781 -8.015) 11.171 16.020 ( -0.000 -1.816 3.008) 3.514 17.161 ( -0.000 8.524 -23.793) 25.274 ======================= Grid point 100 (84/135) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -5.662 0.000 -11.165) 12.519 2.463 ( -4.445 0.000 -9.586) 10.566 2.872 ( -6.841 0.000 -8.333) 10.781 3.227 ( -12.278 0.000 -1.789) 12.407 3.531 ( -2.491 -0.000 7.656) 8.051 3.761 ( 1.680 -0.000 3.523) 3.903 4.150 ( -22.775 -0.000 5.515) 23.433 4.307 ( -7.678 0.000 -0.797) 7.720 4.549 ( -19.418 -0.000 5.931) 20.304 4.674 ( 13.186 -0.000 -0.534) 13.196 5.256 ( 6.322 0.000 -2.959) 6.980 5.436 ( -0.707 -0.000 17.452) 17.466 5.678 ( 1.422 -0.000 2.374) 2.767 5.778 ( 1.922 0.000 -9.393) 9.588 5.994 ( 1.812 0.000 -1.028) 2.083 6.145 ( -0.963 -0.000 7.941) 7.999 6.153 ( -0.191 0.000 -5.583) 5.586 6.415 ( -11.695 0.000 0.813) 11.723 6.486 ( -4.739 0.000 -12.226) 13.113 6.776 ( 0.471 -0.000 4.706) 4.730 7.576 ( -5.628 -0.000 1.492) 5.822 7.688 ( -7.192 -0.000 7.148) 10.140 7.975 ( 21.715 0.000 -3.784) 22.043 8.382 ( 14.459 -0.000 2.929) 14.752 9.422 ( 0.058 -0.000 3.951) 3.952 9.481 ( 1.561 -0.000 1.520) 2.178 9.654 ( -2.450 0.000 -3.423) 4.210 9.912 ( 3.659 -0.000 0.187) 3.663 10.356 ( 9.818 -0.000 0.302) 9.823 10.563 ( 2.469 0.000 -2.163) 3.282 10.906 ( 0.675 0.000 -10.332) 10.354 11.237 ( 14.108 -0.000 8.263) 16.350 14.900 ( -3.327 0.000 -11.302) 11.781 14.927 ( -2.631 -0.000 7.003) 7.481 16.063 ( -3.409 0.000 -2.317) 4.122 16.592 ( 0.876 0.000 -0.149) 0.889 ======================= Grid point 104 (85/135) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -14.554 18.640 -0.000) 23.649 1.431 ( -19.307 25.287 -0.000) 31.815 2.366 ( -18.842 42.914 -0.000) 46.869 2.630 ( 4.908 -5.058 0.000) 7.048 3.226 ( -13.596 -4.208 -0.000) 14.232 3.727 ( -6.261 2.386 -0.000) 6.700 3.863 ( -4.581 -8.009 -0.000) 9.227 3.938 ( -3.035 -13.141 0.000) 13.487 4.334 ( -9.556 -5.903 -0.000) 11.233 4.641 ( 5.099 10.836 0.000) 11.976 4.936 ( 3.417 -1.658 0.000) 3.798 4.940 ( -6.251 -9.106 -0.000) 11.046 5.090 ( 12.767 -13.117 0.000) 18.305 5.655 ( -1.215 3.505 -0.000) 3.710 5.964 ( -0.834 -18.264 0.000) 18.283 6.273 ( -2.963 -8.999 -0.000) 9.474 6.615 ( 1.136 9.727 -0.000) 9.793 6.663 ( 1.033 7.497 -0.000) 7.567 7.131 ( 0.146 -12.328 0.000) 12.329 7.411 ( -0.014 -2.373 0.000) 2.373 7.753 ( 0.958 7.451 -0.000) 7.513 8.118 ( 1.189 -19.183 0.000) 19.220 8.409 ( 1.737 8.468 -0.000) 8.644 8.719 ( 5.572 4.854 0.000) 7.390 9.009 ( 0.975 -4.267 0.000) 4.377 9.413 ( 1.957 -5.423 0.000) 5.765 9.882 ( 1.663 5.346 0.000) 5.598 9.905 ( 0.843 6.647 -0.000) 6.700 10.309 ( 5.301 0.562 0.000) 5.331 10.373 ( 6.825 4.749 0.000) 8.315 10.608 ( 1.402 3.862 0.000) 4.109 11.527 ( 4.555 3.190 0.000) 5.561 14.454 ( -8.904 -1.683 -0.000) 9.062 15.613 ( -2.352 8.393 -0.000) 8.716 16.059 ( -4.482 -0.848 -0.000) 4.561 17.394 ( 7.937 -7.258 0.000) 10.755 ======================= Grid point 105 (86/135) ======================= q-point: (-0.15 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 2.943 -0.000 5.562) 6.293 2.564 ( -7.796 0.000 -3.862) 8.700 3.298 ( 0.567 -0.000 5.029) 5.061 3.369 ( -11.439 0.000 -13.821) 17.941 3.462 ( -2.361 -0.000 3.591) 4.297 3.646 ( 5.986 -0.000 1.180) 6.101 4.286 ( 1.349 -0.000 2.206) 2.586 4.306 ( 13.836 -0.000 5.654) 14.946 4.497 ( -21.633 -0.000 7.570) 22.919 5.004 ( -25.378 0.000 2.600) 25.511 5.072 ( -1.312 -0.000 17.446) 17.495 5.452 ( 0.042 -0.000 12.430) 12.430 5.490 ( -18.366 0.000 -4.902) 19.009 5.661 ( 12.400 -0.000 11.157) 16.681 5.900 ( -4.591 -0.000 3.713) 5.904 6.206 ( -4.486 -0.000 2.754) 5.264 6.231 ( -0.791 0.000 -16.273) 16.293 6.640 ( -6.385 0.000 -4.135) 7.607 6.877 ( -5.087 0.000 -3.708) 6.295 7.097 ( -2.532 0.000 -26.926) 27.045 7.543 ( 24.910 -0.000 -2.713) 25.058 7.648 ( -4.054 -0.000 7.730) 8.729 7.691 ( -8.075 0.000 0.747) 8.109 7.957 ( 21.577 -0.000 0.284) 21.579 9.316 ( -0.468 -0.000 5.851) 5.869 9.416 ( -0.341 -0.000 2.467) 2.490 9.803 ( -3.854 0.000 -3.031) 4.903 9.873 ( 1.559 0.000 -1.766) 2.356 10.091 ( 10.960 -0.000 2.026) 11.146 10.403 ( 13.974 -0.000 2.938) 14.280 10.895 ( 3.110 -0.000 4.586) 5.541 11.091 ( 2.100 0.000 -9.229) 9.465 14.890 ( -3.704 -0.000 2.906) 4.708 15.212 ( -0.428 0.000 -13.868) 13.875 16.270 ( -8.238 0.000 -5.476) 9.892 16.470 ( 8.569 -0.000 1.441) 8.689 ======================= Grid point 108 (87/135) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.000 -7.328 -19.209) 20.559 2.362 ( -0.000 -6.758 -21.411) 22.452 2.749 ( 0.000 6.847 3.963) 7.911 2.883 ( -0.000 -0.916 -1.840) 2.056 3.232 ( 0.000 7.598 7.381) 10.593 3.616 ( -0.000 -8.019 3.212) 8.639 3.639 ( 0.000 3.226 4.630) 5.643 3.887 ( 0.000 4.735 6.597) 8.120 4.527 ( -0.000 -8.896 1.259) 8.985 5.056 ( -0.000 -0.349 -8.173) 8.181 5.461 ( 0.000 -6.530 21.131) 22.117 5.489 ( 0.000 12.817 -8.606) 15.438 5.568 ( 0.000 13.167 17.828) 22.163 5.917 ( -0.000 -2.205 -7.523) 7.839 5.988 ( 0.000 -5.092 11.831) 12.880 6.006 ( -0.000 -2.684 -11.978) 12.275 6.086 ( -0.000 -1.538 -6.063) 6.255 6.258 ( 0.000 -1.830 17.806) 17.899 6.353 ( -0.000 -0.275 -32.754) 32.755 6.820 ( 0.000 8.620 10.616) 13.675 7.536 ( -0.000 -10.256 4.676) 11.272 7.546 ( -0.000 -10.093 4.097) 10.893 8.464 ( 0.000 6.836 -4.930) 8.428 8.552 ( 0.000 9.548 3.194) 10.068 9.406 ( 0.000 4.256 -4.861) 6.461 9.416 ( 0.000 0.910 4.422) 4.515 9.833 ( -0.000 -14.404 1.485) 14.480 10.061 ( -0.000 -3.655 1.236) 3.858 10.516 ( 0.000 3.847 -1.349) 4.077 10.529 ( 0.000 2.589 -3.392) 4.267 11.011 ( -0.000 -5.447 -10.704) 12.010 11.560 ( 0.000 8.062 12.723) 15.062 14.800 ( -0.000 0.911 -13.060) 13.092 14.827 ( 0.000 2.578 9.959) 10.287 16.084 ( -0.000 -8.451 3.474) 9.138 16.536 ( -0.000 3.461 -10.112) 10.688 ======================= Grid point 110 (88/135) ======================= q-point: (-0.15 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 2.544 -0.000 6.684) 7.152 2.721 ( -0.458 -0.000 3.866) 3.893 3.042 ( 10.793 -0.000 7.494) 13.140 3.509 ( -5.608 0.000 -1.247) 5.745 3.548 ( 0.901 0.000 -0.879) 1.258 3.774 ( 0.332 0.000 -7.421) 7.428 4.028 ( -3.279 -0.000 1.479) 3.597 4.117 ( -2.485 -0.000 14.065) 14.283 4.777 ( -10.337 0.000 -1.282) 10.416 4.782 ( -0.139 -0.000 11.356) 11.356 5.103 ( 6.679 -0.000 15.336) 16.727 5.225 ( 6.419 -0.000 6.965) 9.472 5.350 ( -11.210 0.000 1.586) 11.322 6.084 ( -27.302 0.000 -3.074) 27.474 6.181 ( -13.798 0.000 -4.626) 14.553 6.239 ( -9.854 -0.000 2.594) 10.190 6.458 ( 12.500 0.000 -10.977) 16.636 6.858 ( -4.852 0.000 -5.507) 7.340 6.934 ( 16.268 -0.000 -1.325) 16.322 7.176 ( 4.761 0.000 -4.961) 6.876 7.494 ( 22.240 0.000 -5.041) 22.804 7.541 ( -0.633 0.000 -9.771) 9.791 7.566 ( -1.049 -0.000 7.213) 7.289 7.944 ( -9.962 0.000 -7.365) 12.389 9.213 ( -2.633 -0.000 6.681) 7.182 9.411 ( -3.267 -0.000 1.723) 3.693 9.853 ( 3.492 -0.000 -0.246) 3.500 9.857 ( 6.087 -0.000 2.988) 6.781 9.961 ( -4.176 -0.000 1.113) 4.321 10.033 ( 6.883 -0.000 0.815) 6.931 10.810 ( 1.628 -0.000 1.267) 2.063 11.192 ( 3.878 0.000 -6.280) 7.381 14.942 ( -2.391 0.000 -1.086) 2.626 15.475 ( 2.581 0.000 -12.428) 12.694 16.211 ( 11.016 -0.000 2.430) 11.281 16.621 ( -10.929 0.000 -7.873) 13.469 ======================= Grid point 111 (89/135) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.596 1.238 -8.661) 8.769 2.497 ( 8.584 -7.270 -2.160) 11.454 2.752 ( 14.824 -3.467 -10.810) 18.672 3.289 ( 5.074 6.107 5.616) 9.725 3.648 ( 3.332 -0.281 1.558) 3.689 3.806 ( -1.629 1.539 5.899) 6.311 4.315 ( -11.659 -0.419 -4.769) 12.603 4.499 ( -8.162 -1.849 3.810) 9.195 4.739 ( 14.172 -2.977 -10.914) 18.133 4.990 ( 9.399 -1.165 -16.070) 18.653 5.075 ( 4.910 2.801 -16.664) 17.597 5.258 ( 19.559 3.788 5.115) 20.569 5.559 ( 7.233 7.073 -6.100) 11.813 5.789 ( -2.237 -5.519 -3.708) 7.015 6.100 ( 2.298 -1.162 10.563) 10.872 6.230 ( 1.300 -6.481 4.142) 7.801 6.369 ( 3.045 -3.056 -0.785) 4.385 6.509 ( 4.391 11.179 0.096) 12.011 6.600 ( 1.342 2.048 8.689) 9.027 6.945 ( 0.136 -4.504 19.299) 19.818 7.572 ( -3.664 1.955 -1.625) 4.459 7.595 ( -15.879 -5.764 3.146) 17.183 7.857 ( -7.151 2.259 -2.265) 7.834 8.008 ( -6.931 6.530 4.916) 10.717 9.327 ( 2.521 1.627 -4.538) 5.440 9.461 ( 1.211 1.354 1.390) 2.287 9.893 ( -3.664 -4.832 -0.764) 6.112 9.924 ( -5.314 -2.411 0.520) 5.858 10.150 ( -10.782 -1.676 -1.953) 11.085 10.210 ( -5.566 6.108 -2.850) 8.741 10.778 ( 0.044 -2.059 -5.486) 5.860 11.104 ( -4.812 0.246 6.614) 8.183 14.886 ( 5.507 -0.296 -3.023) 6.289 15.199 ( 4.173 -3.183 12.134) 13.220 16.168 ( -2.044 -5.321 -4.840) 7.477 16.544 ( -0.744 6.096 8.313) 10.336 ======================= Grid point 113 (90/135) ======================= q-point: ( 0.64 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 3.367 2.946 2.825) 5.292 2.669 ( 4.616 3.615 -2.238) 6.275 2.749 ( -10.506 4.199 -3.257) 11.773 2.993 ( -10.164 7.754 -2.894) 13.108 3.292 ( -7.177 -6.014 -3.813) 10.110 3.547 ( -5.090 3.995 6.711) 9.322 3.742 ( -14.870 -9.362 2.442) 17.741 3.931 ( -15.051 0.541 3.243) 15.406 4.416 ( 1.792 -9.477 8.017) 12.542 4.966 ( 8.222 -5.449 7.957) 12.673 5.056 ( 1.109 -1.515 12.129) 12.274 5.136 ( 3.916 13.526 11.052) 17.901 5.565 ( 2.795 7.099 13.528) 15.531 5.730 ( -3.904 -5.106 3.898) 7.517 6.001 ( 0.065 1.277 5.074) 5.232 6.089 ( -0.529 -4.401 3.165) 5.446 6.175 ( 0.096 -0.116 -14.234) 14.235 6.395 ( -4.224 2.022 -11.199) 12.139 6.655 ( -2.547 -1.496 4.039) 5.004 7.100 ( 1.190 1.932 -36.245) 36.316 7.422 ( -1.468 -6.556 4.348) 8.003 7.539 ( -5.334 -10.029 5.014) 12.417 8.319 ( 10.817 7.414 3.587) 13.595 8.525 ( 6.372 5.466 -4.069) 9.330 9.303 ( 0.994 1.964 4.990) 5.454 9.467 ( 0.866 -1.359 0.327) 1.644 9.818 ( 0.093 -8.917 -1.342) 9.018 10.020 ( 3.053 -2.413 -0.801) 3.974 10.500 ( 6.357 3.894 -1.589) 7.623 10.607 ( -0.108 2.398 -2.951) 3.804 11.171 ( 7.044 5.100 11.705) 14.582 11.205 ( 2.596 -2.637 -7.368) 8.245 14.669 ( -4.096 1.630 7.943) 9.084 15.142 ( -1.846 1.882 -16.514) 16.723 16.057 ( -3.262 -4.858 1.481) 6.036 16.717 ( 3.710 3.328 -8.830) 10.139 ======================= Grid point 115 (91/135) ======================= q-point: (-0.16 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -1.681 0.000 -0.740) 1.836 2.345 ( 17.740 -0.000 9.947) 20.338 2.565 ( 17.113 -0.000 8.073) 18.922 3.641 ( -5.722 0.000 -1.899) 6.029 3.689 ( -4.787 0.000 -2.212) 5.274 3.832 ( 0.781 0.000 -3.771) 3.851 3.862 ( -2.008 -0.000 12.501) 12.661 4.096 ( 4.528 -0.000 5.512) 7.133 4.572 ( 4.934 -0.000 4.441) 6.638 4.797 ( -0.582 -0.000 2.321) 2.393 5.011 ( -7.903 0.000 -3.163) 8.513 5.055 ( -4.491 -0.000 4.200) 6.149 5.473 ( -5.532 -0.000 2.146) 5.934 6.124 ( 29.423 -0.000 -4.264) 29.730 6.224 ( -3.476 -0.000 2.979) 4.577 6.358 ( 29.009 -0.000 3.733) 29.249 6.679 ( -16.467 0.000 -5.244) 17.282 6.784 ( -16.919 0.000 -9.505) 19.406 7.085 ( -12.971 0.000 0.529) 12.982 7.188 ( 15.005 0.000 -3.212) 15.345 7.453 ( -5.117 0.000 -4.485) 6.804 7.486 ( -4.169 0.000 -1.577) 4.457 7.634 ( -2.594 -0.000 0.986) 2.775 8.313 ( -9.012 0.000 -6.462) 11.089 9.146 ( -4.210 -0.000 6.589) 7.819 9.454 ( -2.561 -0.000 2.429) 3.530 9.552 ( 7.571 -0.000 2.941) 8.122 9.853 ( -0.120 0.000 -2.427) 2.430 10.030 ( -6.494 -0.000 3.592) 7.421 10.081 ( -3.583 0.000 -1.733) 3.980 10.737 ( 3.530 -0.000 0.510) 3.566 11.203 ( 3.466 0.000 -2.509) 4.279 14.989 ( 2.800 0.000 -2.196) 3.559 15.610 ( 4.261 0.000 -6.943) 8.146 15.959 ( 6.653 -0.000 2.137) 6.988 17.032 ( -11.426 0.000 -7.890) 13.886 ======================= Grid point 118 (92/135) ======================= q-point: ( 0.64 -0.39 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -3.414 8.743 8.330) 12.550 2.533 ( 2.845 0.828 3.400) 4.510 2.920 ( -13.508 14.394 8.436) 21.467 3.225 ( 0.543 2.421 -1.599) 2.952 3.507 ( -8.376 0.239 -5.923) 10.261 3.698 ( -7.311 -3.145 0.524) 7.976 3.964 ( -8.262 -8.086 7.560) 13.813 4.259 ( -9.430 -5.836 2.376) 11.341 4.340 ( -21.602 -0.210 3.593) 21.899 4.641 ( 3.502 -11.570 4.648) 12.951 4.807 ( 0.846 -3.432 8.097) 8.835 4.982 ( -2.830 12.096 3.705) 12.963 5.185 ( 1.064 8.852 14.649) 17.148 5.696 ( -0.333 -6.822 2.992) 7.457 5.892 ( 2.151 -7.283 4.990) 9.087 5.987 ( -2.892 1.395 3.965) 5.102 6.529 ( -2.798 -0.271 -13.738) 14.022 6.679 ( -4.407 0.709 -7.294) 8.551 6.770 ( -6.372 0.917 -2.894) 7.059 7.392 ( -4.356 -3.695 5.061) 7.632 7.560 ( -5.012 -7.663 1.850) 9.341 7.761 ( 4.808 2.917 -27.778) 28.342 7.966 ( 14.078 2.314 2.325) 14.455 8.403 ( 16.162 3.962 -6.734) 17.952 9.176 ( 0.270 1.306 5.635) 5.790 9.375 ( 0.903 -3.804 4.497) 5.959 9.870 ( -0.046 -3.039 -2.517) 3.946 9.982 ( 3.259 -1.487 -1.963) 4.085 10.280 ( 12.949 2.151 1.838) 13.255 10.519 ( 10.339 4.405 7.099) 13.292 10.812 ( 0.655 2.490 4.700) 5.359 11.349 ( 3.022 -0.180 -8.468) 8.993 14.681 ( -8.334 0.251 3.581) 9.074 15.528 ( -1.060 1.372 -15.573) 15.669 16.173 ( -7.950 -1.031 -1.119) 8.095 16.721 ( 10.828 0.742 -6.091) 12.446 ======================= Grid point 119 (93/135) ======================= q-point: ( 0.23 -0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.395 -0.988 -10.145) 10.200 2.679 ( -6.700 2.480 2.610) 7.606 3.012 ( -7.848 0.583 -9.579) 12.397 3.404 ( -5.117 -2.271 3.900) 6.823 3.665 ( 0.840 0.602 2.511) 2.715 3.763 ( 1.903 1.929 6.760) 7.282 4.043 ( 10.494 -2.137 -5.894) 12.224 4.360 ( 4.036 0.789 7.746) 8.770 4.928 ( -3.800 -1.766 -20.026) 20.460 5.104 ( -2.452 2.222 -18.299) 18.596 5.147 ( -3.755 0.110 -17.083) 17.491 5.628 ( 1.011 -0.827 -5.897) 6.040 5.720 ( -8.945 -1.021 3.495) 9.657 5.822 ( -12.590 4.590 6.135) 14.739 6.066 ( 6.649 2.940 11.729) 13.799 6.274 ( -2.922 -0.834 8.856) 9.363 6.400 ( 0.722 -3.527 4.771) 5.977 6.509 ( 1.637 -2.924 5.099) 6.101 6.828 ( -17.783 -2.397 -0.738) 17.959 6.995 ( -5.079 4.124 7.101) 9.655 7.214 ( 18.623 5.811 0.555) 19.517 7.422 ( 10.121 -5.268 5.159) 12.522 7.728 ( 2.810 -0.714 -4.282) 5.171 7.924 ( 2.465 -3.056 5.008) 6.364 9.362 ( -0.622 -0.514 -5.364) 5.425 9.509 ( -1.873 -0.793 1.385) 2.460 9.819 ( 1.905 1.863 -0.909) 2.815 9.863 ( 0.665 1.604 -2.027) 2.669 9.961 ( 5.413 0.230 -1.370) 5.588 10.104 ( 3.891 -1.931 0.264) 4.351 10.789 ( -0.739 0.034 -4.061) 4.128 11.044 ( 1.128 0.282 6.709) 6.809 14.967 ( -1.910 0.582 -1.715) 2.632 15.274 ( -2.583 2.978 12.942) 13.529 16.148 ( -0.538 1.367 -6.370) 6.537 16.507 ( 2.425 -3.563 8.258) 9.315 ======================= Grid point 120 (94/135) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 24.999 0.000 0.000) 24.999 1.934 ( 27.340 0.000 0.000) 27.340 2.417 ( -10.797 -0.000 -0.000) 10.797 3.342 ( 37.923 0.000 0.000) 37.923 3.718 ( 0.215 0.000 0.000) 0.215 3.846 ( -8.832 -0.000 -0.000) 8.832 3.930 ( -7.311 -0.000 -0.000) 7.311 3.988 ( -0.758 -0.000 -0.000) 0.758 4.370 ( 9.667 0.000 0.000) 9.667 4.816 ( -2.837 -0.000 -0.000) 2.837 5.237 ( -9.590 -0.000 -0.000) 9.590 5.285 ( -13.782 -0.000 -0.000) 13.782 5.529 ( -2.544 -0.000 -0.000) 2.544 5.536 ( 28.377 0.000 0.000) 28.377 5.728 ( 23.101 0.000 0.000) 23.101 6.265 ( -3.731 -0.000 -0.000) 3.731 6.800 ( 7.152 0.000 0.000) 7.152 6.951 ( 10.993 0.000 0.000) 10.993 7.267 ( -15.501 -0.000 -0.000) 15.501 7.397 ( -14.434 -0.000 -0.000) 14.434 7.413 ( 0.680 0.000 0.000) 0.680 7.740 ( -10.402 -0.000 -0.000) 10.402 7.837 ( -11.695 -0.000 -0.000) 11.695 8.563 ( -7.722 -0.000 -0.000) 7.722 9.137 ( -3.759 -0.000 -0.000) 3.759 9.344 ( 2.670 0.000 0.000) 2.670 9.549 ( -2.944 -0.000 -0.000) 2.944 9.877 ( 0.942 0.000 0.000) 0.942 10.110 ( -4.963 -0.000 -0.000) 4.963 10.197 ( -5.450 -0.000 -0.000) 5.450 10.643 ( 4.776 0.000 0.000) 4.776 11.180 ( 0.266 0.000 0.000) 0.266 14.872 ( 10.055 0.000 0.000) 10.055 15.588 ( 4.549 0.000 0.000) 4.549 15.885 ( -1.447 -0.000 -0.000) 1.447 17.380 ( -10.964 -0.000 -0.000) 10.964 ======================= Grid point 123 (95/135) ======================= q-point: ( 0.63 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.203 9.250 6.149) 11.324 2.549 ( -8.060 -2.103 3.240) 8.938 3.052 ( -6.980 16.493 2.301) 18.056 3.197 ( -2.345 -2.406 0.375) 3.381 3.639 ( -5.125 1.964 11.347) 12.605 3.735 ( 0.700 -6.972 -0.477) 7.023 3.950 ( -0.649 -4.696 -4.703) 6.677 4.129 ( 7.035 -6.125 6.217) 11.210 4.596 ( -1.748 1.884 0.405) 2.601 4.651 ( -3.692 2.949 0.751) 4.784 4.846 ( -0.178 5.248 4.628) 6.999 5.085 ( -18.972 -8.293 0.307) 20.708 5.133 ( -13.514 6.008 4.563) 15.477 5.715 ( -9.261 -14.783 -0.072) 17.444 5.885 ( -13.227 -4.253 3.242) 14.267 6.009 ( -4.732 4.433 1.844) 6.742 6.789 ( -0.246 -0.395 -5.565) 5.584 6.914 ( -4.674 0.154 -5.625) 7.316 6.964 ( -4.728 5.416 -4.338) 8.397 7.374 ( -2.122 -2.061 3.781) 4.800 7.511 ( 18.821 0.124 2.788) 19.027 7.647 ( -4.780 -7.229 0.214) 8.669 8.098 ( 22.963 4.599 -7.032) 24.452 8.177 ( 8.002 2.190 -14.852) 17.012 9.049 ( -0.155 0.560 5.608) 5.638 9.318 ( -2.796 -1.734 2.167) 3.940 9.902 ( 0.903 -0.358 0.024) 0.971 9.926 ( 5.408 0.621 0.903) 5.518 9.985 ( 8.752 0.244 1.706) 8.920 10.127 ( 6.721 0.400 4.525) 8.112 10.790 ( 0.103 2.447 0.184) 2.456 11.407 ( 4.725 0.858 -4.477) 6.565 14.834 ( -8.889 -0.940 0.280) 8.943 15.785 ( 1.400 -1.344 -8.158) 8.385 16.376 ( -0.754 7.292 -2.567) 7.767 16.581 ( 4.569 -5.597 -2.866) 7.773 ======================= Grid point 124 (96/135) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 2.744 0.582 -1.751) 3.307 2.570 ( 0.915 -1.417 2.515) 3.029 3.235 ( 7.460 -0.140 9.918) 12.411 3.269 ( 4.115 -3.667 -8.262) 9.932 3.629 ( 0.737 4.144 -2.732) 5.018 3.669 ( -2.384 0.503 0.838) 2.577 4.180 ( -5.999 0.129 1.191) 6.118 4.204 ( -7.766 -1.554 -1.247) 8.017 5.215 ( 9.729 6.999 -0.613) 12.001 5.338 ( -0.528 -5.112 1.660) 5.400 5.516 ( 6.978 1.052 12.261) 14.147 5.531 ( 6.210 -0.618 -11.938) 13.471 5.626 ( 7.101 5.503 -2.149) 9.237 5.699 ( 1.233 -1.010 -2.413) 2.892 6.041 ( -3.201 0.903 -4.682) 5.743 6.058 ( -3.680 0.990 9.300) 10.051 6.368 ( 1.876 -0.530 -3.867) 4.331 6.426 ( -3.630 -6.841 0.785) 7.785 6.871 ( 12.880 1.808 -3.270) 13.411 6.913 ( 15.872 -2.647 6.119) 17.216 7.221 ( -14.772 7.180 1.135) 16.464 7.347 ( -18.002 -5.788 -1.765) 18.992 7.801 ( -0.132 0.737 0.724) 1.042 7.832 ( -2.201 -2.151 -2.096) 3.724 9.445 ( 2.343 0.897 1.798) 3.087 9.460 ( 1.211 -0.419 -2.620) 2.917 9.840 ( -1.262 1.353 1.294) 2.258 9.863 ( -2.951 -0.835 -0.849) 3.183 10.016 ( -1.736 3.158 2.088) 4.165 10.078 ( -6.864 -3.075 -1.919) 7.762 10.900 ( -0.265 0.035 5.932) 5.938 10.908 ( -1.154 -0.771 -5.467) 5.641 15.053 ( 2.251 1.795 -5.605) 6.301 15.067 ( 1.023 0.554 6.015) 6.126 16.294 ( 1.513 1.519 6.847) 7.175 16.340 ( -2.752 -3.104 -6.944) 8.088 ======================= Grid point 126 (97/135) ======================= q-point: ( 0.43 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 14.390 19.556) 24.279 2.079 ( 0.000 19.934 15.411) 25.197 2.650 ( 0.000 1.785 -1.424) 2.283 3.094 ( 0.000 20.196 2.555) 20.357 3.218 ( -0.000 -4.335 0.598) 4.376 3.472 ( -0.000 -11.014 -2.474) 11.288 3.718 ( -0.000 -1.825 -0.002) 1.825 3.840 ( -0.000 -11.603 -6.562) 13.330 4.222 ( 0.000 -0.102 23.026) 23.026 4.810 ( -0.000 -8.085 6.313) 10.257 4.921 ( -0.000 -7.789 3.191) 8.417 4.983 ( 0.000 9.462 1.284) 9.549 5.306 ( 0.000 -0.452 16.232) 16.238 5.658 ( -0.000 -7.419 -0.465) 7.434 5.851 ( 0.000 2.257 5.773) 6.198 6.179 ( -0.000 -4.352 0.672) 4.404 6.426 ( -0.000 4.065 -12.406) 13.055 6.600 ( -0.000 -5.208 -10.890) 12.071 6.640 ( 0.000 3.068 -4.253) 5.244 7.527 ( -0.000 -11.763 6.896) 13.636 7.650 ( -0.000 -18.101 1.908) 18.202 7.793 ( -0.000 6.167 -32.645) 33.222 8.083 ( 0.000 10.883 5.866) 12.364 8.639 ( 0.000 4.719 -7.475) 8.840 9.165 ( 0.000 2.522 4.992) 5.592 9.527 ( -0.000 -4.979 2.339) 5.501 9.965 ( -0.000 -7.530 2.832) 8.045 10.117 ( -0.000 -0.610 -1.028) 1.196 10.523 ( 0.000 8.300 -3.671) 9.076 10.608 ( 0.000 4.033 -0.922) 4.137 10.780 ( 0.000 6.387 13.929) 15.324 11.492 ( -0.000 -5.770 -4.968) 7.614 14.440 ( 0.000 0.333 5.787) 5.797 15.391 ( -0.000 6.113 -15.038) 16.233 16.042 ( -0.000 -3.820 3.693) 5.313 16.917 ( -0.000 6.034 -13.868) 15.124 ======================= Grid point 128 (98/135) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.108 9.084 -0.000) 9.084 2.588 ( 2.364 -5.636 0.000) 6.112 2.914 ( 13.673 -1.988 0.000) 13.817 3.443 ( -14.830 3.613 -0.000) 15.264 3.544 ( -2.454 6.411 -0.000) 6.865 3.711 ( 2.483 -5.777 0.000) 6.288 3.921 ( 1.626 -6.505 0.000) 6.705 4.111 ( -3.941 -1.573 -0.000) 4.244 4.578 ( 0.072 -0.210 0.000) 0.222 4.636 ( 3.155 17.110 -0.000) 17.399 4.783 ( 1.350 1.198 0.000) 1.805 5.234 ( -3.010 -9.477 -0.000) 9.943 5.377 ( -8.891 -8.149 -0.000) 12.061 6.046 ( -3.414 6.485 -0.000) 7.329 6.165 ( -26.787 -8.008 -0.000) 27.958 6.371 ( -27.914 0.328 -0.000) 27.915 6.732 ( 11.271 -4.563 0.000) 12.159 6.940 ( 27.379 -0.298 0.000) 27.380 7.049 ( -1.984 -2.482 -0.000) 3.177 7.158 ( -5.714 11.868 -0.000) 13.172 7.407 ( -2.141 -2.214 -0.000) 3.080 7.629 ( 22.146 5.861 0.000) 22.908 7.721 ( -0.994 -7.292 0.000) 7.359 8.251 ( -0.308 3.016 -0.000) 3.032 8.996 ( -1.155 1.724 -0.000) 2.075 9.380 ( -4.590 -2.021 -0.000) 5.015 9.686 ( 9.646 1.804 0.000) 9.813 9.887 ( -0.499 -0.673 -0.000) 0.838 9.904 ( 0.447 -0.111 0.000) 0.461 10.066 ( -0.433 -0.848 -0.000) 0.952 10.769 ( 1.692 2.089 0.000) 2.688 11.346 ( 4.956 -0.324 0.000) 4.966 14.996 ( -5.397 -1.558 -0.000) 5.618 15.820 ( 2.732 -3.777 0.000) 4.662 16.168 ( 14.038 1.074 0.000) 14.079 16.790 ( -12.411 3.094 -0.000) 12.791 ======================= Grid point 131 (99/135) ======================= q-point: ( 0.42 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -6.764 16.010 16.313) 23.837 1.997 ( -14.845 22.448 8.656) 28.270 2.601 ( 4.578 0.893 1.197) 4.815 3.080 ( -4.216 21.702 0.207) 22.108 3.274 ( -10.879 -1.014 7.519) 13.263 3.648 ( -11.761 -11.663 -0.666) 16.577 3.746 ( -1.119 0.839 -2.509) 2.873 3.923 ( -9.961 2.181 12.401) 16.056 4.127 ( -11.820 -10.333 -5.080) 16.501 4.683 ( -0.460 -9.245 4.373) 10.238 4.866 ( 6.601 -6.007 -1.123) 8.995 4.931 ( 4.704 5.622 4.290) 8.493 4.963 ( 4.263 -2.736 3.250) 6.018 5.684 ( -3.672 -9.172 2.353) 10.156 5.759 ( -1.587 2.352 3.320) 4.368 6.139 ( 2.760 -6.934 0.951) 7.523 6.651 ( -2.727 3.754 -6.475) 7.966 6.719 ( 1.176 0.935 -3.922) 4.200 6.852 ( -2.546 -4.725 -8.264) 9.854 7.381 ( -0.569 -9.071 5.707) 10.732 7.674 ( -4.138 -20.116 0.295) 20.539 7.941 ( 3.907 8.092 3.339) 9.586 8.352 ( 4.269 8.128 -21.838) 23.689 8.716 ( 7.141 4.838 -7.017) 11.120 9.053 ( 0.631 1.103 4.838) 5.002 9.393 ( 1.318 -7.199 6.766) 9.967 9.933 ( 0.248 -0.662 0.690) 0.988 10.091 ( 3.100 2.650 0.832) 4.162 10.375 ( 5.394 3.662 9.531) 11.547 10.477 ( 10.790 5.351 -1.034) 12.089 10.685 ( -1.150 3.611 0.217) 3.796 11.537 ( 2.638 -0.138 -2.912) 3.931 14.441 ( -8.126 -1.288 2.277) 8.537 15.680 ( -1.707 7.899 -9.421) 12.413 16.050 ( -5.578 -1.901 1.382) 6.053 17.126 ( 8.053 -1.699 -11.495) 14.137 ======================= Grid point 135 (100/135) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.000 0.000 -25.736) 25.736 1.777 ( -0.000 0.000 -25.863) 25.863 2.590 ( -0.000 0.000 -20.440) 20.440 2.881 ( 0.000 -0.000 1.587) 1.587 3.496 ( -0.000 0.000 -0.404) 0.404 3.668 ( 0.000 -0.000 13.115) 13.115 3.734 ( 0.000 -0.000 3.926) 3.926 4.109 ( 0.000 -0.000 7.492) 7.492 4.437 ( -0.000 0.000 -1.779) 1.779 4.716 ( -0.000 0.000 -21.254) 21.254 5.602 ( -0.000 0.000 -10.457) 10.457 5.613 ( -0.000 0.000 -3.373) 3.373 5.719 ( -0.000 0.000 -23.175) 23.175 5.791 ( 0.000 -0.000 15.559) 15.559 5.869 ( -0.000 0.000 -6.381) 6.381 5.886 ( -0.000 0.000 -5.343) 5.343 6.078 ( 0.000 -0.000 6.860) 6.860 6.089 ( 0.000 -0.000 15.150) 15.150 6.700 ( 0.000 -0.000 24.946) 24.946 7.235 ( 0.000 -0.000 13.668) 13.668 7.477 ( 0.000 -0.000 1.943) 1.943 7.520 ( 0.000 -0.000 3.072) 3.072 8.485 ( -0.000 0.000 -0.803) 0.803 8.622 ( -0.000 0.000 -3.370) 3.370 9.500 ( 0.000 -0.000 3.089) 3.089 9.516 ( -0.000 0.000 -2.383) 2.383 9.590 ( 0.000 -0.000 1.376) 1.376 10.048 ( 0.000 -0.000 1.782) 1.782 10.498 ( -0.000 0.000 -2.467) 2.467 10.543 ( 0.000 -0.000 0.448) 0.448 10.734 ( -0.000 0.000 -9.803) 9.803 11.901 ( 0.000 -0.000 10.866) 10.866 14.578 ( -0.000 0.000 -8.435) 8.435 15.070 ( 0.000 -0.000 9.416) 9.416 16.018 ( 0.000 -0.000 1.165) 1.165 16.360 ( -0.000 0.000 -9.346) 9.346 ======================= Grid point 136 (101/135) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -11.481 14.493 -0.000) 18.489 2.293 ( -19.006 21.601 -0.000) 28.773 2.481 ( 3.012 -0.460 0.000) 3.047 3.221 ( -5.749 10.892 -0.000) 12.316 3.369 ( -8.801 -4.931 -0.000) 10.088 3.739 ( -2.103 -1.178 -0.000) 2.411 4.014 ( -11.413 -4.521 -0.000) 12.276 4.052 ( -10.834 5.838 -0.000) 12.307 4.489 ( -10.099 -3.029 -0.000) 10.543 4.614 ( 3.646 -0.060 0.000) 3.646 4.717 ( -1.530 -3.794 -0.000) 4.091 4.776 ( 0.319 -5.925 0.000) 5.934 4.981 ( -6.802 -5.947 -0.000) 9.035 5.737 ( -4.589 -7.615 -0.000) 8.891 5.795 ( -4.207 3.305 -0.000) 5.350 6.042 ( 3.826 -12.965 0.000) 13.517 6.735 ( 0.563 4.952 -0.000) 4.984 6.816 ( -5.548 3.125 -0.000) 6.368 6.995 ( -2.125 -3.759 -0.000) 4.318 7.351 ( -2.190 -5.200 -0.000) 5.642 7.762 ( 10.205 4.198 0.000) 11.034 7.775 ( -4.452 -17.914 0.000) 18.459 8.444 ( 9.569 7.041 0.000) 11.880 8.573 ( 16.939 4.981 0.000) 17.657 8.962 ( 0.393 0.371 0.000) 0.540 9.299 ( -0.344 -3.758 0.000) 3.774 9.907 ( 1.543 1.946 0.000) 2.483 9.971 ( 4.933 5.369 0.000) 7.292 10.171 ( 7.179 -0.376 0.000) 7.188 10.216 ( 9.773 0.031 0.000) 9.773 10.712 ( -1.099 4.415 -0.000) 4.550 11.506 ( 3.692 2.863 0.000) 4.672 14.637 ( -11.189 -1.944 -0.000) 11.356 15.825 ( -2.282 6.049 -0.000) 6.465 16.171 ( -5.732 2.758 -0.000) 6.361 17.011 ( 12.970 -8.224 0.000) 15.358 ======================= Grid point 140 (102/135) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -5.556 0.000 -19.344) 20.126 2.364 ( -4.985 0.000 -18.839) 19.487 2.808 ( 0.195 -0.000 0.922) 0.942 2.963 ( -10.017 0.000 -5.407) 11.383 3.452 ( -4.219 -0.000 10.528) 11.342 3.674 ( -18.530 -0.000 3.862) 18.928 3.742 ( -4.737 -0.000 4.846) 6.776 4.022 ( -10.095 -0.000 5.026) 11.277 4.433 ( 0.459 -0.000 2.276) 2.322 4.931 ( 10.183 0.000 -5.357) 11.506 5.412 ( -1.355 -0.000 19.732) 19.778 5.478 ( 12.745 -0.000 2.213) 12.936 5.722 ( 2.390 -0.000 0.694) 2.489 5.794 ( 0.134 0.000 -4.780) 4.782 5.979 ( -3.987 -0.000 7.015) 8.069 6.076 ( -4.889 0.000 -0.043) 4.889 6.183 ( -4.970 0.000 -6.443) 8.137 6.201 ( -0.408 0.000 -0.256) 0.482 6.399 ( -3.506 0.000 -20.553) 20.849 6.840 ( 4.805 -0.000 12.991) 13.852 7.476 ( -3.550 -0.000 2.037) 4.094 7.523 ( -7.568 -0.000 6.728) 10.127 8.363 ( 14.337 0.000 -3.800) 14.833 8.602 ( 6.080 -0.000 1.955) 6.386 9.424 ( 0.070 -0.000 3.688) 3.689 9.513 ( 1.241 -0.000 1.550) 1.986 9.617 ( -1.132 0.000 -3.241) 3.433 9.987 ( 3.034 -0.000 0.513) 3.077 10.510 ( 4.513 0.000 -1.574) 4.780 10.571 ( -0.805 0.000 -2.093) 2.242 10.933 ( 1.663 0.000 -11.050) 11.175 11.519 ( 10.874 -0.000 11.782) 16.034 14.836 ( -2.354 0.000 -12.973) 13.185 14.878 ( -1.783 -0.000 9.171) 9.342 16.010 ( -1.624 0.000 0.215) 1.638 16.585 ( -1.099 0.000 -6.851) 6.939 ======================= Grid point 144 (103/135) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 22.894 -0.000) 22.894 1.180 ( 0.000 28.996 -0.000) 28.996 2.166 ( 0.000 53.284 -0.000) 53.284 2.686 ( -0.000 -5.119 0.000) 5.119 3.060 ( -0.000 -2.720 0.000) 2.720 3.664 ( -0.000 -0.221 0.000) 0.221 3.714 ( -0.000 -10.366 0.000) 10.366 3.997 ( -0.000 -10.622 0.000) 10.622 4.219 ( -0.000 -7.615 0.000) 7.615 4.711 ( 0.000 15.562 -0.000) 15.562 4.861 ( -0.000 -12.213 0.000) 12.213 4.975 ( -0.000 -1.392 0.000) 1.392 5.259 ( -0.000 -17.156 0.000) 17.156 5.641 ( 0.000 3.103 -0.000) 3.103 5.954 ( -0.000 -19.904 0.000) 19.904 6.217 ( -0.000 -2.509 0.000) 2.509 6.594 ( 0.000 5.061 -0.000) 5.061 6.733 ( 0.000 8.309 -0.000) 8.309 7.125 ( -0.000 -12.520 0.000) 12.520 7.412 ( -0.000 -3.155 0.000) 3.155 7.758 ( 0.000 9.096 -0.000) 9.096 8.127 ( -0.000 -26.079 0.000) 26.079 8.423 ( 0.000 14.815 -0.000) 14.815 8.762 ( 0.000 5.746 -0.000) 5.746 9.021 ( -0.000 -4.542 0.000) 4.542 9.436 ( -0.000 -6.367 0.000) 6.367 9.894 ( 0.000 2.531 -0.000) 2.531 9.920 ( 0.000 10.402 -0.000) 10.402 10.377 ( -0.000 -3.080 0.000) 3.080 10.425 ( 0.000 10.352 -0.000) 10.352 10.665 ( 0.000 1.873 -0.000) 1.873 11.589 ( 0.000 0.141 -0.000) 0.141 14.343 ( -0.000 -1.443 0.000) 1.443 15.589 ( 0.000 8.571 -0.000) 8.571 15.988 ( -0.000 -1.245 0.000) 1.245 17.492 ( -0.000 -5.409 0.000) 5.409 ======================= Grid point 145 (104/135) ======================= q-point: (-0.20 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -3.200 0.000 -0.807) 3.301 2.570 ( 4.413 -0.000 -0.418) 4.433 3.093 ( -13.541 0.000 -9.551) 16.571 3.248 ( -5.859 0.000 -0.484) 5.878 3.397 ( -4.336 -0.000 2.939) 5.238 3.707 ( -2.078 -0.000 1.512) 2.570 4.013 ( -22.328 -0.000 7.165) 23.449 4.288 ( -2.150 -0.000 3.745) 4.319 4.417 ( -25.973 -0.000 4.680) 26.391 4.626 ( 15.376 -0.000 4.808) 16.110 5.041 ( -1.332 -0.000 17.063) 17.115 5.267 ( -1.782 -0.000 2.092) 2.748 5.468 ( 1.486 -0.000 12.479) 12.567 5.837 ( -2.560 -0.000 8.160) 8.552 5.904 ( 10.066 -0.000 9.443) 13.802 6.120 ( -3.726 -0.000 4.142) 5.571 6.180 ( -3.340 0.000 -16.912) 17.238 6.513 ( -5.362 0.000 -8.352) 9.925 6.737 ( -7.173 0.000 -0.351) 7.182 7.090 ( 1.098 0.000 -33.553) 33.571 7.523 ( -7.148 -0.000 8.116) 10.815 7.536 ( -6.446 -0.000 2.105) 6.781 8.035 ( 20.794 -0.000 -0.670) 20.805 8.352 ( 15.181 -0.000 -1.177) 15.226 9.318 ( 0.526 -0.000 5.588) 5.613 9.423 ( 0.830 -0.000 3.808) 3.897 9.746 ( -1.615 0.000 -4.807) 5.071 9.925 ( 3.182 0.000 -1.366) 3.463 10.338 ( 11.453 -0.000 1.376) 11.536 10.604 ( 4.304 0.000 -1.240) 4.479 11.028 ( 9.656 -0.000 10.811) 14.495 11.133 ( 1.885 0.000 -10.776) 10.940 14.791 ( -5.270 -0.000 5.757) 7.805 15.192 ( -1.418 0.000 -15.836) 15.900 16.113 ( -6.418 0.000 -2.398) 6.851 16.636 ( 6.833 0.000 -3.621) 7.733 ======================= Grid point 150 (105/135) ======================= q-point: (-0.21 0.46 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 5.791 -0.000 6.872) 8.987 2.584 ( -10.051 -0.000 1.979) 10.244 3.199 ( 4.207 -0.000 3.957) 5.775 3.368 ( -10.075 -0.000 4.505) 11.037 3.631 ( 5.952 -0.000 0.452) 5.970 3.664 ( -6.682 0.000 -13.053) 14.664 4.029 ( -6.790 -0.000 17.551) 18.819 4.176 ( 13.783 -0.000 6.422) 15.206 4.522 ( -14.373 0.000 -6.227) 15.664 4.768 ( -0.730 -0.000 10.640) 10.665 4.978 ( -24.634 0.000 0.234) 24.635 5.151 ( 1.286 -0.000 14.103) 14.161 5.458 ( 11.992 -0.000 8.024) 14.429 5.507 ( -23.431 0.000 1.763) 23.497 5.863 ( -11.000 0.000 0.579) 11.015 6.126 ( -4.680 -0.000 3.975) 6.141 6.563 ( -0.204 0.000 -13.662) 13.664 6.773 ( -3.907 0.000 -7.188) 8.181 6.952 ( -6.794 0.000 -3.506) 7.645 7.479 ( -3.349 -0.000 7.211) 7.951 7.562 ( 0.127 0.000 -7.355) 7.356 7.564 ( 21.226 -0.000 1.405) 21.273 7.770 ( -4.566 0.000 -16.701) 17.314 8.018 ( 23.511 0.000 -5.635) 24.177 9.184 ( -0.300 -0.000 6.453) 6.460 9.357 ( -1.863 -0.000 2.985) 3.519 9.857 ( -1.636 0.000 -2.130) 2.685 9.913 ( 1.830 0.000 -1.781) 2.554 10.041 ( 10.082 -0.000 2.614) 10.415 10.291 ( 14.153 -0.000 7.352) 15.948 10.829 ( 0.344 -0.000 1.622) 1.658 11.277 ( 3.892 0.000 -8.017) 8.912 14.846 ( -6.460 -0.000 1.417) 6.614 15.519 ( 1.522 0.000 -14.099) 14.181 16.383 ( -11.218 0.000 -5.097) 12.322 16.469 ( 12.868 -0.000 -1.055) 12.911 ======================= Grid point 154 (106/135) ======================= q-point: ( 0.59 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.000 -0.046 -6.103) 6.103 2.567 ( 0.000 8.721 9.121) 12.619 2.784 ( 0.000 13.019 6.314) 14.470 2.809 ( -0.000 -6.167 -15.665) 16.835 3.202 ( -0.000 -4.384 -3.829) 5.821 3.516 ( 0.000 5.102 7.236) 8.854 3.554 ( -0.000 -11.708 2.054) 11.886 3.775 ( 0.000 1.748 3.904) 4.278 4.439 ( -0.000 -9.437 7.905) 12.311 5.017 ( 0.000 -5.973 19.678) 20.564 5.110 ( 0.000 1.008 1.183) 1.554 5.192 ( 0.000 16.431 15.072) 22.296 5.620 ( 0.000 5.107 -2.410) 5.648 5.656 ( 0.000 -4.236 17.585) 18.088 6.018 ( 0.000 0.941 7.344) 7.404 6.055 ( -0.000 -7.959 -3.041) 8.521 6.186 ( -0.000 1.908 -13.034) 13.173 6.347 ( -0.000 3.267 -12.579) 12.996 6.630 ( 0.000 -2.266 6.940) 7.300 7.113 ( -0.000 2.039 -37.164) 37.220 7.422 ( -0.000 -11.429 5.806) 12.820 7.463 ( -0.000 -8.480 3.663) 9.237 8.439 ( 0.000 10.092 6.981) 12.271 8.587 ( 0.000 4.993 -6.447) 8.154 9.317 ( 0.000 1.736 4.797) 5.101 9.476 ( -0.000 -1.551 -0.165) 1.560 9.819 ( -0.000 -9.295 -1.117) 9.362 10.056 ( -0.000 -2.463 -0.753) 2.576 10.571 ( 0.000 4.878 -3.623) 6.076 10.599 ( 0.000 1.707 -3.100) 3.539 11.227 ( -0.000 -4.601 -9.642) 10.683 11.258 ( 0.000 6.623 15.711) 17.050 14.622 ( 0.000 1.753 9.134) 9.300 15.122 ( -0.000 2.333 -16.985) 17.145 16.021 ( -0.000 -5.007 2.506) 5.599 16.757 ( -0.000 3.333 -10.661) 11.170 ======================= Grid point 156 (107/135) ======================= q-point: (-0.22 0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.331 -0.000 3.110) 3.128 2.589 ( 3.745 -0.000 6.802) 7.765 2.919 ( 14.462 -0.000 3.892) 14.977 3.540 ( -8.732 0.000 -1.502) 8.860 3.569 ( -0.619 0.000 -1.000) 1.176 3.801 ( -4.031 -0.000 12.973) 13.585 3.843 ( 3.997 -0.000 0.637) 4.048 4.053 ( -7.512 0.000 -3.108) 8.130 4.618 ( 0.292 -0.000 4.401) 4.411 4.858 ( -7.098 0.000 -4.405) 8.354 4.861 ( 3.597 -0.000 6.874) 7.758 5.095 ( 8.251 -0.000 5.158) 9.731 5.316 ( -10.184 -0.000 1.619) 10.312 6.091 ( -29.539 0.000 0.302) 29.541 6.148 ( -6.478 -0.000 2.904) 7.099 6.326 ( -25.711 0.000 -4.536) 26.108 6.625 ( 15.497 0.000 -5.027) 16.292 6.942 ( 24.771 -0.000 0.245) 24.772 6.974 ( -2.496 0.000 -4.490) 5.137 7.264 ( -6.532 0.000 -3.146) 7.250 7.434 ( -2.591 -0.000 4.608) 5.286 7.623 ( 23.318 0.000 -5.789) 24.026 7.626 ( 0.205 0.000 -0.429) 0.476 8.161 ( -3.958 0.000 -10.223) 10.963 9.079 ( -2.111 -0.000 5.379) 5.778 9.375 ( -3.880 -0.000 1.464) 4.147 9.761 ( 10.394 -0.000 4.716) 11.414 9.864 ( 1.609 0.000 -0.818) 1.805 9.929 ( -2.415 -0.000 1.711) 2.959 10.044 ( 0.497 0.000 -0.998) 1.115 10.794 ( 1.811 -0.000 0.331) 1.841 11.301 ( 5.406 0.000 -3.715) 6.559 14.968 ( -4.387 0.000 -1.017) 4.503 15.695 ( 3.778 0.000 -7.657) 8.538 16.181 ( 13.625 -0.000 0.621) 13.639 16.766 ( -13.461 0.000 -5.368) 14.492 ======================= Grid point 159 (108/135) ======================= q-point: ( 0.58 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.299 8.922 12.821) 15.623 2.585 ( -8.973 13.845 10.695) 19.661 2.691 ( 1.728 3.857 2.118) 4.728 3.196 ( -5.805 0.062 -9.774) 11.368 3.322 ( -5.285 -1.090 5.585) 7.766 3.470 ( -11.158 -2.650 -0.953) 11.508 3.728 ( -11.826 -11.160 -2.938) 16.524 3.881 ( -14.729 0.756 1.225) 14.799 4.193 ( 0.254 -4.746 11.095) 12.070 4.684 ( -0.029 -6.351 11.407) 13.056 4.935 ( 6.622 2.654 4.127) 8.242 4.994 ( 2.825 7.396 4.005) 8.873 5.242 ( 3.621 4.253 14.440) 15.483 5.661 ( -2.557 -1.429 3.074) 4.246 5.900 ( -1.497 2.801 4.556) 5.554 6.030 ( 5.309 -7.028 2.369) 9.121 6.480 ( -1.334 -1.057 -12.610) 12.724 6.595 ( -3.404 -0.062 -5.793) 6.720 6.634 ( -5.904 -4.544 -3.537) 8.247 7.316 ( -2.517 -7.990 5.372) 9.952 7.449 ( -4.643 -8.516 3.283) 10.240 7.850 ( 3.217 3.246 -33.362) 33.674 8.201 ( 7.556 6.805 6.215) 11.918 8.652 ( 7.480 3.942 -6.879) 10.900 9.195 ( 1.357 1.982 5.150) 5.683 9.395 ( 0.685 -5.918 5.679) 8.231 9.875 ( 0.353 -2.472 -3.266) 4.112 10.052 ( 2.998 -1.653 -2.071) 4.002 10.530 ( 9.654 3.052 -1.151) 10.190 10.655 ( 2.394 3.543 -0.154) 4.279 10.856 ( 3.324 4.163 14.164) 15.132 11.397 ( 1.504 -1.681 -8.131) 8.438 14.520 ( -6.216 0.401 5.967) 8.626 15.505 ( -0.977 3.467 -16.815) 17.196 16.032 ( -4.992 -2.531 0.870) 5.664 16.910 ( 6.543 1.371 -9.116) 11.305 ======================= Grid point 161 (109/135) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -7.201 -0.000 -0.000) 7.201 2.226 ( 19.465 0.000 0.000) 19.465 2.465 ( 22.638 0.000 0.000) 22.638 3.677 ( -6.609 -0.000 -0.000) 6.609 3.705 ( -1.572 -0.000 -0.000) 1.572 3.720 ( -5.086 -0.000 -0.000) 5.086 3.884 ( -6.174 -0.000 -0.000) 6.174 4.006 ( 15.549 0.000 0.000) 15.549 4.532 ( 4.594 0.000 0.000) 4.594 4.780 ( -0.423 -0.000 -0.000) 0.423 5.010 ( -8.431 -0.000 -0.000) 8.431 5.053 ( -7.610 -0.000 -0.000) 7.610 5.446 ( -5.342 -0.000 -0.000) 5.342 6.179 ( 29.628 0.000 0.000) 29.628 6.190 ( -3.458 -0.000 -0.000) 3.458 6.308 ( 30.147 0.000 0.000) 30.147 6.718 ( -23.406 -0.000 -0.000) 23.406 6.968 ( -25.456 -0.000 -0.000) 25.456 7.017 ( 0.334 0.000 0.000) 0.334 7.223 ( 14.450 0.000 0.000) 14.450 7.416 ( -0.614 -0.000 -0.000) 0.614 7.594 ( -10.477 -0.000 -0.000) 10.477 7.621 ( -1.470 -0.000 -0.000) 1.470 8.388 ( -7.966 -0.000 -0.000) 7.966 9.065 ( -2.940 -0.000 -0.000) 2.940 9.420 ( 0.247 0.000 0.000) 0.247 9.524 ( 4.282 0.000 0.000) 4.282 9.892 ( 0.541 0.000 0.000) 0.541 9.978 ( -6.592 -0.000 -0.000) 6.592 10.100 ( -3.447 -0.000 -0.000) 3.447 10.733 ( 3.614 0.000 0.000) 3.614 11.230 ( 4.188 0.000 0.000) 4.188 15.014 ( 2.541 0.000 0.000) 2.541 15.686 ( 4.564 0.000 0.000) 4.564 15.937 ( 7.066 0.000 0.000) 7.066 17.123 ( -13.273 -0.000 -0.000) 13.273 ======================= Grid point 164 (110/135) ======================= q-point: ( 0.57 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -6.520 12.953 8.412) 16.765 2.469 ( 2.618 -1.581 2.244) 3.794 2.744 ( -16.762 14.255 7.107) 23.123 3.240 ( 1.553 -0.036 -1.205) 1.966 3.472 ( -10.087 0.264 8.483) 13.183 3.692 ( -5.266 -1.811 -0.065) 5.569 3.934 ( -0.648 -3.490 -4.312) 5.585 4.219 ( -7.562 3.791 3.872) 9.303 4.307 ( -23.182 -8.099 -1.783) 24.620 4.554 ( -7.925 -10.258 3.005) 13.306 4.695 ( 2.949 -4.253 3.284) 6.129 4.921 ( -1.561 12.736 2.249) 13.027 4.960 ( 1.453 5.438 6.372) 8.502 5.647 ( -2.704 -4.780 1.416) 5.672 5.805 ( 5.096 -11.950 3.178) 13.375 5.914 ( -4.226 2.722 2.734) 5.722 6.728 ( -4.567 -0.577 -3.975) 6.082 6.805 ( -4.993 2.019 -5.903) 7.990 6.863 ( -4.897 -2.367 -4.933) 7.343 7.291 ( -4.395 -5.004 4.046) 7.793 7.518 ( -6.561 -8.553 1.457) 10.877 7.871 ( 13.721 3.268 3.076) 14.437 8.327 ( 8.238 3.649 -20.474) 22.368 8.555 ( 16.318 3.452 -6.939) 18.065 9.056 ( 0.883 0.911 5.455) 5.601 9.280 ( -0.934 -3.274 3.800) 5.102 9.914 ( 0.780 -0.326 -1.495) 1.717 10.024 ( 4.038 -0.214 -1.908) 4.471 10.242 ( 14.667 1.521 1.629) 14.836 10.301 ( 8.616 2.525 10.873) 14.101 10.779 ( -1.007 2.559 -0.059) 2.751 11.492 ( 3.140 0.852 -4.827) 5.821 14.624 ( -10.468 -0.826 1.831) 10.659 15.803 ( 0.440 2.019 -9.427) 9.650 16.199 ( -9.953 1.052 -1.269) 10.089 16.842 ( 13.672 -2.251 -4.706) 14.633 ======================= Grid point 169 (111/135) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 1.257 10.697 -0.000) 10.771 2.509 ( -7.168 -3.195 -0.000) 7.848 3.027 ( -11.244 17.148 -0.000) 20.505 3.211 ( 1.287 -5.312 0.000) 5.466 3.481 ( -5.050 2.413 -0.000) 5.597 3.743 ( -0.569 -7.734 0.000) 7.754 4.023 ( -2.084 -2.430 -0.000) 3.201 4.048 ( 9.366 -4.162 0.000) 10.249 4.575 ( 0.139 -0.111 0.000) 0.178 4.661 ( -3.041 8.915 -0.000) 9.420 4.805 ( -0.476 1.986 -0.000) 2.042 5.081 ( -15.102 5.228 -0.000) 15.982 5.082 ( -18.940 -9.388 -0.000) 21.139 5.723 ( -8.139 -17.282 -0.000) 19.103 5.842 ( -15.725 -1.272 -0.000) 15.776 5.990 ( -5.578 4.360 -0.000) 7.080 6.837 ( -0.709 1.394 -0.000) 1.563 6.983 ( -3.705 -1.381 -0.000) 3.954 7.021 ( -6.195 4.318 -0.000) 7.552 7.330 ( -2.560 -2.669 -0.000) 3.698 7.474 ( 20.039 0.441 0.000) 20.044 7.642 ( -5.776 -8.279 -0.000) 10.095 8.176 ( 25.479 4.693 0.000) 25.907 8.355 ( 9.333 3.027 0.000) 9.812 8.981 ( -0.326 1.173 -0.000) 1.218 9.293 ( -3.450 -1.557 -0.000) 3.785 9.880 ( 7.426 2.721 0.000) 7.909 9.921 ( 2.194 0.118 0.000) 2.197 9.965 ( 8.225 -0.901 0.000) 8.274 10.086 ( 2.266 -1.261 0.000) 2.593 10.789 ( 0.237 2.509 -0.000) 2.520 11.455 ( 5.022 1.054 0.000) 5.131 14.831 ( -9.703 -1.331 -0.000) 9.794 15.871 ( 2.044 -0.793 0.000) 2.193 16.409 ( -0.660 7.453 -0.000) 7.482 16.613 ( 4.711 -6.404 0.000) 7.950 ======================= Grid point 172 (112/135) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 17.241 20.158) 26.526 1.809 ( 0.000 23.777 9.415) 25.574 2.660 ( 0.000 2.207 0.072) 2.208 3.024 ( 0.000 19.322 2.274) 19.455 3.147 ( 0.000 9.082 5.389) 10.560 3.491 ( -0.000 -11.990 0.052) 11.990 3.762 ( -0.000 -7.068 -2.202) 7.403 3.821 ( 0.000 3.144 13.104) 13.476 3.992 ( -0.000 -9.589 -6.417) 11.538 4.676 ( -0.000 -11.001 4.857) 12.026 4.947 ( -0.000 -8.627 -2.878) 9.094 4.957 ( 0.000 7.315 1.047) 7.389 5.044 ( 0.000 -0.561 8.167) 8.186 5.639 ( -0.000 -10.747 1.477) 10.848 5.742 ( 0.000 2.168 4.233) 4.756 6.170 ( -0.000 -2.965 0.187) 2.971 6.622 ( 0.000 4.253 -6.041) 7.388 6.745 ( -0.000 -0.673 -4.958) 5.004 6.812 ( -0.000 -6.952 -8.712) 11.146 7.377 ( -0.000 -10.381 6.730) 12.372 7.623 ( -0.000 -22.030 0.652) 22.039 7.980 ( 0.000 9.824 3.650) 10.480 8.398 ( -0.000 8.863 -23.020) 24.667 8.788 ( 0.000 4.693 -6.398) 7.935 9.062 ( 0.000 2.006 4.848) 5.246 9.408 ( -0.000 -8.232 7.346) 11.033 9.936 ( -0.000 -0.279 0.281) 0.396 10.126 ( 0.000 2.774 0.898) 2.915 10.440 ( 0.000 3.512 11.192) 11.730 10.587 ( 0.000 8.410 -2.109) 8.671 10.685 ( 0.000 1.284 -0.893) 1.564 11.567 ( -0.000 -1.906 -2.244) 2.944 14.347 ( 0.000 -0.896 2.995) 3.126 15.662 ( 0.000 8.574 -9.619) 12.886 15.983 ( -0.000 -1.961 1.885) 2.720 17.216 ( -0.000 -0.860 -13.012) 13.040 ======================= Grid point 177 (113/135) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -10.028 18.889 -0.000) 21.386 1.903 ( -16.369 23.295 -0.000) 28.471 2.586 ( 5.507 0.173 0.000) 5.509 3.123 ( -2.953 31.530 -0.000) 31.668 3.135 ( -11.647 -4.928 -0.000) 12.647 3.656 ( -12.122 -13.901 -0.000) 18.444 3.778 ( -11.057 2.884 -0.000) 11.427 3.786 ( -1.165 0.754 -0.000) 1.388 4.188 ( -10.760 -9.316 -0.000) 14.232 4.632 ( -0.778 -9.921 0.000) 9.951 4.871 ( 6.385 -0.004 0.000) 6.385 4.887 ( 8.636 -6.139 0.000) 10.595 4.944 ( 0.618 1.123 0.000) 1.282 5.656 ( -3.053 -10.756 -0.000) 11.181 5.722 ( -2.614 2.885 -0.000) 3.893 6.128 ( 3.519 -6.694 0.000) 7.563 6.720 ( -3.203 3.653 -0.000) 4.859 6.766 ( 2.309 -0.439 0.000) 2.350 6.954 ( -1.939 -6.016 -0.000) 6.321 7.308 ( -1.663 -7.784 0.000) 7.959 7.673 ( -4.531 -22.613 0.000) 23.063 7.903 ( 3.692 7.795 0.000) 8.625 8.607 ( 5.659 9.579 0.000) 11.126 8.818 ( 6.552 5.194 0.000) 8.361 8.976 ( 0.696 0.252 0.000) 0.740 9.304 ( 0.510 -5.635 0.000) 5.658 9.928 ( 0.692 1.654 0.000) 1.792 10.059 ( 2.992 6.974 0.000) 7.589 10.273 ( 3.935 -2.261 0.000) 4.538 10.489 ( 12.001 4.999 0.000) 13.000 10.686 ( -0.918 4.246 -0.000) 4.344 11.568 ( 2.076 1.342 0.000) 2.472 14.417 ( -8.755 -1.877 -0.000) 8.954 15.783 ( -1.471 8.737 -0.000) 8.860 16.035 ( -6.044 -1.305 -0.000) 6.183 17.264 ( 9.723 -6.313 0.000) 11.593 ======================= Grid point 181 (114/135) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 0.000 -22.717) 22.717 2.295 ( -0.000 0.000 -22.857) 22.857 2.823 ( 0.000 -0.000 4.334) 4.334 2.859 ( -0.000 0.000 -6.196) 6.196 3.397 ( 0.000 -0.000 11.758) 11.758 3.463 ( 0.000 -0.000 3.319) 3.319 3.652 ( 0.000 -0.000 3.952) 3.952 3.946 ( 0.000 -0.000 7.635) 7.635 4.442 ( 0.000 -0.000 1.723) 1.723 5.051 ( -0.000 0.000 -8.905) 8.905 5.393 ( 0.000 -0.000 21.157) 21.157 5.696 ( -0.000 0.000 -0.622) 0.622 5.756 ( -0.000 0.000 -10.501) 10.501 5.795 ( 0.000 -0.000 12.698) 12.698 5.846 ( 0.000 -0.000 16.552) 16.552 6.005 ( -0.000 0.000 -6.370) 6.370 6.108 ( -0.000 0.000 -14.149) 14.149 6.240 ( 0.000 -0.000 15.427) 15.427 6.352 ( -0.000 0.000 -34.814) 34.814 6.910 ( 0.000 -0.000 16.306) 16.306 7.426 ( 0.000 -0.000 5.567) 5.567 7.437 ( 0.000 -0.000 2.087) 2.087 8.535 ( -0.000 0.000 -3.846) 3.846 8.651 ( 0.000 -0.000 1.706) 1.706 9.425 ( 0.000 -0.000 3.942) 3.942 9.527 ( 0.000 -0.000 1.527) 1.527 9.605 ( -0.000 0.000 -3.479) 3.479 10.022 ( 0.000 -0.000 0.483) 0.483 10.554 ( -0.000 0.000 -2.830) 2.830 10.558 ( -0.000 0.000 -1.945) 1.945 10.956 ( -0.000 0.000 -10.816) 10.816 11.642 ( 0.000 -0.000 13.660) 13.660 14.810 ( -0.000 0.000 -13.571) 13.571 14.858 ( 0.000 -0.000 10.370) 10.370 15.993 ( 0.000 -0.000 1.194) 1.194 16.569 ( -0.000 0.000 -10.262) 10.262 ======================= Grid point 186 (115/135) ======================= q-point: (-0.26 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 2.786 0.000 -1.382) 3.109 2.671 ( 4.683 0.000 -8.503) 9.707 2.826 ( -11.194 0.000 -1.971) 11.366 3.049 ( -11.178 0.000 -5.040) 12.261 3.293 ( -4.676 -0.000 1.721) 4.983 3.537 ( -12.842 -0.000 8.191) 15.232 3.653 ( -9.860 -0.000 4.413) 10.802 3.937 ( -13.992 -0.000 2.973) 14.304 4.324 ( 1.652 -0.000 7.961) 8.131 4.900 ( 8.227 -0.000 10.841) 13.609 5.039 ( 2.514 -0.000 10.088) 10.397 5.350 ( 7.256 -0.000 8.659) 11.298 5.504 ( 1.727 -0.000 12.585) 12.703 5.765 ( -4.462 -0.000 6.994) 8.296 6.014 ( -1.731 0.000 0.211) 1.744 6.053 ( -2.393 -0.000 6.042) 6.499 6.157 ( 3.158 0.000 -13.767) 14.124 6.423 ( -3.036 0.000 -11.085) 11.493 6.614 ( -3.742 -0.000 7.150) 8.070 7.120 ( 1.342 0.000 -36.959) 36.983 7.372 ( -6.342 -0.000 7.246) 9.630 7.427 ( -3.636 -0.000 2.438) 4.378 8.396 ( 12.892 -0.000 2.887) 13.211 8.582 ( 6.482 0.000 -2.497) 6.946 9.330 ( 0.451 -0.000 4.955) 4.976 9.443 ( 0.857 -0.000 4.800) 4.876 9.728 ( -0.292 0.000 -6.326) 6.333 9.994 ( 2.991 0.000 -1.231) 3.234 10.539 ( 6.966 0.000 -1.178) 7.065 10.630 ( -0.443 0.000 -3.273) 3.302 11.167 ( 1.271 0.000 -10.836) 10.911 11.234 ( 8.057 -0.000 14.990) 17.018 14.687 ( -4.017 -0.000 8.565) 9.460 15.160 ( -1.288 0.000 -17.262) 17.309 16.007 ( -3.513 0.000 0.089) 3.514 16.749 ( 3.670 0.000 -8.284) 9.061 ======================= Grid point 191 (116/135) ======================= q-point: ( 0.74 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -7.256 -0.000 5.125) 8.883 2.511 ( 8.924 -0.000 4.979) 10.219 3.075 ( -16.160 -0.000 8.082) 18.068 3.238 ( -0.050 -0.000 1.248) 1.249 3.554 ( -4.597 0.000 -14.007) 14.742 3.668 ( -9.081 -0.000 4.281) 10.040 3.837 ( -9.150 -0.000 8.651) 12.592 4.195 ( -12.316 0.000 1.849) 12.454 4.384 ( -28.367 0.000 -0.165) 28.368 4.476 ( 12.280 -0.000 8.546) 14.961 4.775 ( 2.496 -0.000 8.249) 8.618 5.187 ( 2.059 -0.000 12.978) 13.140 5.209 ( -4.958 -0.000 2.243) 5.441 5.702 ( 11.229 -0.000 8.577) 14.130 5.721 ( -3.643 -0.000 3.704) 5.196 6.027 ( -4.655 -0.000 4.222) 6.284 6.515 ( -3.554 0.000 -13.452) 13.913 6.690 ( -3.796 0.000 -7.533) 8.436 6.769 ( -9.757 0.000 -2.416) 10.051 7.360 ( -6.517 -0.000 7.002) 9.565 7.481 ( -5.807 -0.000 1.906) 6.112 7.794 ( 4.385 0.000 -30.846) 31.156 7.990 ( 17.258 -0.000 3.995) 17.714 8.443 ( 16.195 0.000 -6.539) 17.465 9.193 ( 1.041 -0.000 6.123) 6.211 9.331 ( -0.623 -0.000 4.553) 4.596 9.842 ( 0.140 0.000 -4.076) 4.079 9.966 ( 3.145 0.000 -2.348) 3.925 10.300 ( 13.419 -0.000 2.116) 13.585 10.563 ( 10.499 -0.000 7.134) 12.693 10.837 ( 1.007 -0.000 5.091) 5.190 11.347 ( 2.523 0.000 -9.026) 9.372 14.685 ( -8.277 -0.000 4.208) 9.285 15.538 ( 0.385 0.000 -15.952) 15.957 16.163 ( -9.259 0.000 -2.330) 9.548 16.729 ( 11.235 0.000 -4.795) 12.216 ======================= Grid point 197 (117/135) ======================= q-point: (-0.27 0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 5.818 -0.000 4.496) 7.352 2.503 ( -10.033 -0.000 4.620) 11.045 3.146 ( 6.812 -0.000 0.975) 6.881 3.283 ( -16.000 -0.000 3.058) 16.290 3.624 ( 5.444 -0.000 0.297) 5.452 3.681 ( -7.469 -0.000 13.505) 15.433 3.904 ( -3.744 0.000 -8.930) 9.683 4.050 ( 12.480 -0.000 5.000) 13.444 4.617 ( 0.135 -0.000 4.189) 4.191 4.656 ( -14.648 0.000 -5.383) 15.606 4.915 ( 2.112 -0.000 7.594) 7.882 4.979 ( -23.128 0.000 -0.047) 23.129 5.316 ( 11.112 -0.000 5.160) 12.252 5.470 ( -23.864 0.000 1.233) 23.896 5.845 ( -15.785 0.000 1.126) 15.825 6.059 ( -4.845 -0.000 2.192) 5.317 6.779 ( 0.888 0.000 -6.475) 6.536 6.905 ( -3.970 0.000 -4.747) 6.189 7.031 ( -8.724 0.000 -3.849) 9.535 7.350 ( -4.207 -0.000 4.549) 6.196 7.515 ( 21.088 -0.000 2.632) 21.252 7.573 ( -5.317 -0.000 1.158) 5.442 8.153 ( 24.432 0.000 -6.010) 25.161 8.192 ( 6.327 0.000 -16.859) 18.007 9.055 ( -0.214 -0.000 5.182) 5.186 9.300 ( -3.101 -0.000 2.068) 3.727 9.895 ( 0.454 0.000 -1.476) 1.544 9.933 ( 5.223 -0.000 0.361) 5.235 9.987 ( 8.918 -0.000 2.316) 9.214 10.133 ( 8.101 -0.000 6.060) 10.117 10.814 ( 0.154 -0.000 0.125) 0.198 11.414 ( 5.011 0.000 -4.643) 6.831 14.825 ( -8.750 0.000 0.657) 8.775 15.767 ( 2.986 0.000 -8.568) 9.074 16.478 ( -13.523 0.000 -3.572) 13.986 16.500 ( 15.849 -0.000 -1.454) 15.915 ======================= Grid point 201 (118/135) ======================= q-point: ( 0.53 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 10.201 18.014) 20.702 2.403 ( 0.000 12.469 10.095) 16.043 2.757 ( 0.000 8.515 -0.423) 8.526 3.086 ( -0.000 -5.337 -7.852) 9.494 3.288 ( -0.000 -6.900 -1.290) 7.019 3.337 ( 0.000 3.504 8.274) 8.986 3.598 ( -0.000 -13.082 -7.901) 15.283 3.719 ( 0.000 0.151 1.528) 1.536 4.206 ( 0.000 -1.501 11.944) 12.038 4.681 ( 0.000 -5.296 11.513) 12.673 4.992 ( 0.000 14.260 4.416) 14.928 5.046 ( 0.000 -1.746 4.415) 4.748 5.297 ( 0.000 -0.684 15.440) 15.455 5.622 ( 0.000 2.663 1.259) 2.946 5.884 ( 0.000 1.136 5.799) 5.910 6.097 ( -0.000 -3.617 -1.507) 3.918 6.478 ( -0.000 1.608 -12.815) 12.915 6.535 ( -0.000 -12.999 2.156) 13.176 6.571 ( -0.000 1.300 -8.660) 8.757 7.290 ( -0.000 -11.273 6.050) 12.793 7.394 ( -0.000 -7.122 2.858) 7.674 7.886 ( -0.000 3.363 -34.494) 34.658 8.281 ( 0.000 8.519 7.410) 11.291 8.728 ( 0.000 3.833 -6.729) 7.744 9.214 ( 0.000 2.115 4.927) 5.362 9.401 ( -0.000 -6.761 6.158) 9.145 9.879 ( -0.000 -2.080 -3.566) 4.128 10.088 ( -0.000 -1.697 -2.047) 2.659 10.653 ( 0.000 4.912 -3.689) 6.143 10.657 ( 0.000 1.396 -2.311) 2.700 10.901 ( 0.000 5.174 17.762) 18.501 11.412 ( -0.000 -2.708 -7.648) 8.113 14.449 ( 0.000 0.522 7.016) 7.035 15.494 ( -0.000 4.134 -17.272) 17.760 15.977 ( -0.000 -2.669 1.672) 3.149 16.982 ( -0.000 1.459 -10.336) 10.438 ======================= Grid point 203 (119/135) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -1.040 -0.000 -0.000) 1.040 2.506 ( 5.370 0.000 0.000) 5.370 2.879 ( 16.338 0.000 0.000) 16.338 3.560 ( -10.290 -0.000 -0.000) 10.290 3.588 ( -1.474 -0.000 -0.000) 1.474 3.646 ( -4.205 -0.000 -0.000) 4.205 3.821 ( 2.173 0.000 0.000) 2.173 4.095 ( -4.445 -0.000 -0.000) 4.445 4.575 ( 0.253 0.000 0.000) 0.253 4.797 ( 1.673 0.000 0.000) 1.673 4.912 ( -6.283 -0.000 -0.000) 6.283 5.033 ( 8.861 0.000 0.000) 8.861 5.295 ( -9.593 -0.000 -0.000) 9.593 6.092 ( -32.564 -0.000 -0.000) 32.564 6.111 ( -4.469 -0.000 -0.000) 4.469 6.375 ( -28.719 -0.000 -0.000) 28.719 6.678 ( 15.723 0.000 0.000) 15.723 6.937 ( 28.350 0.000 0.000) 28.350 7.024 ( -1.561 -0.000 -0.000) 1.561 7.299 ( -9.571 -0.000 -0.000) 9.571 7.383 ( -2.570 -0.000 -0.000) 2.570 7.624 ( -0.250 -0.000 -0.000) 0.250 7.693 ( 22.543 0.000 0.000) 22.543 8.281 ( -0.613 -0.000 -0.000) 0.613 9.016 ( -1.706 -0.000 -0.000) 1.706 9.358 ( -3.926 -0.000 -0.000) 3.926 9.704 ( 10.118 0.000 0.000) 10.118 9.881 ( -1.422 -0.000 -0.000) 1.422 9.902 ( 0.495 0.000 0.000) 0.495 10.057 ( -0.637 -0.000 -0.000) 0.637 10.791 ( 1.913 0.000 0.000) 1.913 11.341 ( 5.949 0.000 0.000) 5.949 14.979 ( -5.256 -0.000 -0.000) 5.256 15.778 ( 4.183 0.000 0.000) 4.183 16.176 ( 14.675 0.000 0.000) 14.675 16.827 ( -14.553 -0.000 -0.000) 14.553 ======================= Grid point 206 (120/135) ======================= q-point: ( 0.52 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -5.484 12.639 12.787) 18.797 2.378 ( -13.418 16.157 7.392) 22.265 2.633 ( 7.711 1.115 2.958) 8.333 3.154 ( -10.349 -1.701 7.724) 13.025 3.327 ( -1.748 -3.475 -2.697) 4.733 3.470 ( -13.748 -3.300 0.321) 14.142 3.832 ( -11.423 2.458 -2.018) 11.857 3.914 ( -10.206 -9.987 -5.819) 15.420 4.021 ( -1.605 6.595 4.570) 8.183 4.508 ( -0.208 -7.609 5.642) 9.474 4.854 ( 7.784 -5.240 4.055) 10.222 4.938 ( 1.719 11.425 0.803) 11.581 5.008 ( 2.299 2.403 7.259) 7.985 5.604 ( -1.204 0.379 2.127) 2.474 5.815 ( -3.414 2.724 3.145) 5.382 5.992 ( 9.317 -9.221 1.157) 13.160 6.614 ( -6.039 -9.421 -1.736) 11.325 6.719 ( -2.980 1.827 -6.258) 7.168 6.766 ( -3.773 -3.646 -6.019) 7.985 7.208 ( -3.131 -7.922 4.439) 9.606 7.396 ( -4.498 -7.419 1.690) 8.839 8.081 ( 6.302 5.728 4.296) 9.539 8.473 ( 5.127 4.393 -23.594) 24.541 8.798 ( 6.920 3.307 -6.693) 10.179 9.085 ( 1.681 1.689 5.272) 5.785 9.269 ( -0.251 -5.166 5.195) 7.330 9.932 ( 0.752 0.185 -1.883) 2.036 10.101 ( 3.047 -0.527 -2.573) 4.023 10.454 ( 5.678 3.567 14.706) 16.162 10.548 ( 12.255 2.173 -0.498) 12.456 10.751 ( -1.601 2.790 -0.650) 3.282 11.535 ( 0.947 -0.100 -4.640) 4.737 14.422 ( -7.786 -0.688 3.195) 8.444 15.807 ( 0.005 4.729 -10.603) 11.609 16.021 ( -6.360 -0.866 0.141) 6.421 17.083 ( 8.457 -2.185 -6.567) 10.928 ======================= Grid point 211 (121/135) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -8.307 14.810 -0.000) 16.980 2.445 ( 3.323 -4.365 0.000) 5.486 2.662 ( -18.958 15.661 -0.000) 24.590 3.301 ( 3.823 -1.713 0.000) 4.189 3.315 ( -10.419 -0.524 -0.000) 10.432 3.692 ( -4.892 -0.464 -0.000) 4.914 4.000 ( -1.334 -0.639 -0.000) 1.479 4.164 ( -5.451 5.730 -0.000) 7.909 4.336 ( -23.315 -9.210 -0.000) 25.068 4.522 ( -10.916 -8.371 -0.000) 13.756 4.660 ( 2.302 -4.896 0.000) 5.410 4.894 ( 0.084 18.676 -0.000) 18.677 4.898 ( 0.596 -2.830 0.000) 2.892 5.635 ( -5.087 -2.283 -0.000) 5.576 5.768 ( 8.087 -16.002 0.000) 17.929 5.883 ( -5.074 4.024 -0.000) 6.476 6.760 ( -5.392 -0.256 -0.000) 5.398 6.876 ( -5.342 2.430 -0.000) 5.869 6.927 ( -3.905 -4.511 -0.000) 5.966 7.242 ( -4.639 -5.106 -0.000) 6.899 7.502 ( -6.833 -8.770 -0.000) 11.118 7.835 ( 13.206 3.000 0.000) 13.542 8.561 ( 11.019 4.685 0.000) 11.973 8.649 ( 16.487 2.656 0.000) 16.700 8.982 ( 0.442 1.184 0.000) 1.264 9.237 ( -1.921 -2.460 -0.000) 3.121 9.930 ( 1.105 0.719 0.000) 1.318 10.055 ( 6.490 3.089 0.000) 7.187 10.151 ( 4.231 -1.038 0.000) 4.357 10.229 ( 15.279 0.674 0.000) 15.294 10.782 ( -0.764 2.720 -0.000) 2.825 11.544 ( 3.182 1.240 0.000) 3.415 14.605 ( -11.234 -1.267 -0.000) 11.306 15.904 ( 1.095 2.200 0.000) 2.457 16.216 ( -10.749 1.993 -0.000) 10.932 16.896 ( 14.805 -3.879 0.000) 15.305 ======================= Grid point 219 (122/135) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 20.717 -0.000) 20.717 1.706 ( 0.000 25.456 -0.000) 25.456 2.658 ( 0.000 2.166 -0.000) 2.166 2.986 ( -0.000 -4.982 0.000) 4.982 3.095 ( 0.000 39.903 -0.000) 39.903 3.488 ( -0.000 -12.714 0.000) 12.714 3.657 ( -0.000 -0.479 0.000) 0.479 3.807 ( -0.000 -6.111 0.000) 6.111 4.066 ( -0.000 -7.873 0.000) 7.873 4.622 ( -0.000 -11.549 0.000) 11.549 4.945 ( 0.000 5.938 -0.000) 5.938 4.959 ( -0.000 -0.575 0.000) 0.575 4.986 ( -0.000 -9.708 0.000) 9.708 5.620 ( -0.000 -11.793 0.000) 11.793 5.693 ( 0.000 2.222 -0.000) 2.222 6.169 ( -0.000 -2.373 0.000) 2.373 6.685 ( 0.000 4.211 -0.000) 4.211 6.807 ( -0.000 -2.744 0.000) 2.744 6.921 ( -0.000 -8.526 0.000) 8.526 7.289 ( -0.000 -8.855 0.000) 8.855 7.618 ( -0.000 -24.247 0.000) 24.247 7.939 ( 0.000 9.229 -0.000) 9.229 8.669 ( 0.000 10.521 -0.000) 10.521 8.881 ( 0.000 6.217 -0.000) 6.217 8.984 ( 0.000 0.191 -0.000) 0.191 9.310 ( -0.000 -6.421 0.000) 6.421 9.936 ( 0.000 1.768 -0.000) 1.768 10.091 ( 0.000 7.325 -0.000) 7.325 10.321 ( -0.000 -2.632 0.000) 2.632 10.609 ( 0.000 8.440 -0.000) 8.440 10.697 ( 0.000 1.372 -0.000) 1.372 11.590 ( -0.000 -0.011 0.000) 0.011 14.315 ( -0.000 -1.411 0.000) 1.411 15.767 ( 0.000 9.529 -0.000) 9.529 15.963 ( -0.000 -1.305 0.000) 1.305 17.374 ( -0.000 -6.489 0.000) 6.489 ======================= Grid point 228 (123/135) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -0.000 0.000 -10.501) 10.501 2.673 ( 0.000 -0.000 10.473) 10.473 2.731 ( -0.000 0.000 -17.968) 17.968 2.906 ( 0.000 -0.000 0.628) 0.628 3.237 ( 0.000 -0.000 0.611) 0.611 3.367 ( 0.000 -0.000 5.481) 5.481 3.550 ( 0.000 -0.000 6.439) 6.439 3.800 ( 0.000 -0.000 5.779) 5.779 4.347 ( 0.000 -0.000 7.272) 7.272 4.956 ( 0.000 -0.000 18.903) 18.903 5.110 ( 0.000 -0.000 1.944) 1.944 5.465 ( 0.000 -0.000 15.708) 15.708 5.527 ( 0.000 -0.000 13.003) 13.003 5.687 ( 0.000 -0.000 0.984) 0.984 5.966 ( -0.000 0.000 -6.803) 6.803 6.027 ( 0.000 -0.000 7.058) 7.058 6.206 ( -0.000 0.000 -13.250) 13.250 6.390 ( -0.000 0.000 -11.785) 11.785 6.581 ( 0.000 -0.000 13.994) 13.994 7.135 ( -0.000 0.000 -38.002) 38.002 7.296 ( 0.000 -0.000 6.444) 6.444 7.388 ( 0.000 -0.000 2.433) 2.433 8.547 ( 0.000 -0.000 7.454) 7.454 8.639 ( -0.000 0.000 -5.731) 5.731 9.335 ( 0.000 -0.000 4.501) 4.501 9.453 ( 0.000 -0.000 5.174) 5.174 9.726 ( -0.000 0.000 -6.973) 6.973 10.030 ( -0.000 0.000 -1.203) 1.203 10.615 ( -0.000 0.000 -2.814) 2.814 10.621 ( -0.000 0.000 -3.725) 3.725 11.182 ( -0.000 0.000 -10.396) 10.396 11.324 ( 0.000 -0.000 16.326) 16.326 14.642 ( 0.000 -0.000 9.784) 9.784 15.146 ( -0.000 0.000 -17.769) 17.769 15.969 ( 0.000 -0.000 1.044) 1.044 16.788 ( -0.000 0.000 -10.229) 10.229 ======================= Grid point 233 (124/135) ======================= q-point: ( 0.68 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.709 -0.000 10.555) 10.579 2.716 ( 9.905 -0.000 2.412) 10.195 2.738 ( -14.786 -0.000 9.169) 17.398 3.189 ( -6.540 0.000 -5.901) 8.809 3.348 ( -12.487 -0.000 9.397) 15.628 3.462 ( -3.750 0.000 -14.471) 14.949 3.541 ( -16.009 -0.000 5.660) 16.980 3.894 ( -16.397 0.000 1.303) 16.449 4.148 ( 2.891 -0.000 6.553) 7.162 4.615 ( 1.895 -0.000 11.797) 11.949 4.911 ( 8.372 -0.000 5.603) 10.074 5.208 ( 2.601 -0.000 3.761) 4.573 5.228 ( 1.643 -0.000 12.764) 12.869 5.675 ( -1.126 -0.000 2.757) 2.978 5.929 ( 9.808 -0.000 5.272) 11.135 5.937 ( -3.575 -0.000 5.005) 6.150 6.424 ( -5.044 0.000 -7.195) 8.787 6.576 ( -7.375 0.000 -4.897) 8.853 6.621 ( -2.448 0.000 -7.510) 7.899 7.228 ( -5.312 -0.000 6.150) 8.127 7.377 ( -3.585 -0.000 2.163) 4.187 7.882 ( 3.291 0.000 -34.119) 34.277 8.272 ( 9.198 -0.000 7.038) 11.581 8.692 ( 7.426 0.000 -6.461) 9.844 9.220 ( 1.289 -0.000 5.374) 5.526 9.325 ( -0.042 -0.000 5.871) 5.871 9.854 ( 0.692 0.000 -5.107) 5.154 10.034 ( 2.943 0.000 -2.417) 3.808 10.558 ( 9.848 -0.000 -0.640) 9.869 10.690 ( 1.892 0.000 -1.227) 2.255 10.899 ( 4.266 -0.000 15.563) 16.137 11.381 ( 0.745 0.000 -8.987) 9.017 14.525 ( -6.148 -0.000 6.611) 9.028 15.539 ( -0.217 0.000 -17.531) 17.533 16.007 ( -5.270 0.000 -0.104) 5.271 16.922 ( 6.554 0.000 -7.742) 10.144 ======================= Grid point 239 (125/135) ======================= q-point: (-0.33 0.45 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -11.553 -0.000 6.081) 13.056 2.399 ( 10.001 -0.000 4.734) 11.065 2.904 ( -18.524 -0.000 6.500) 19.632 3.220 ( 0.691 0.000 -0.183) 0.715 3.474 ( -11.845 -0.000 10.927) 16.116 3.739 ( 1.031 -0.000 1.738) 2.021 3.836 ( -3.182 0.000 -11.135) 11.581 4.213 ( -21.337 0.000 -2.045) 21.435 4.313 ( 9.928 -0.000 6.051) 11.626 4.395 ( -28.968 0.000 -0.567) 28.974 4.653 ( 4.219 -0.000 3.904) 5.748 4.959 ( 2.055 -0.000 7.957) 8.218 5.193 ( -4.145 0.000 -0.528) 4.178 5.556 ( 12.076 -0.000 4.912) 13.037 5.653 ( -3.998 -0.000 2.770) 4.864 5.953 ( -5.151 -0.000 2.564) 5.754 6.716 ( -6.988 0.000 -5.081) 8.639 6.816 ( -4.218 0.000 -4.179) 5.938 6.841 ( -7.778 0.000 -4.358) 8.916 7.237 ( -5.917 -0.000 4.337) 7.336 7.444 ( -6.022 -0.000 1.366) 6.175 7.905 ( 14.983 -0.000 3.424) 15.369 8.363 ( 8.569 0.000 -21.308) 22.967 8.590 ( 16.234 0.000 -6.506) 17.489 9.067 ( 1.240 -0.000 5.499) 5.637 9.246 ( -2.006 -0.000 3.102) 3.694 9.911 ( 1.071 0.000 -2.344) 2.577 10.019 ( 3.764 0.000 -2.786) 4.683 10.256 ( 15.385 -0.000 1.761) 15.485 10.328 ( 9.128 -0.000 12.401) 15.398 10.805 ( -0.961 0.000 -0.198) 0.981 11.500 ( 2.896 0.000 -5.164) 5.921 14.616 ( -10.453 -0.000 2.252) 10.693 15.820 ( 1.981 0.000 -9.616) 9.818 16.211 ( -11.364 0.000 -2.111) 11.558 16.821 ( 13.888 0.000 -3.395) 14.297 ======================= Grid point 245 (126/135) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 5.346 0.000 0.000) 5.346 2.444 ( -9.657 -0.000 -0.000) 9.657 3.143 ( 8.574 0.000 0.000) 8.574 3.250 ( -18.578 -0.000 -0.000) 18.578 3.522 ( -7.648 -0.000 -0.000) 7.648 3.622 ( 4.596 0.000 0.000) 4.596 3.991 ( 12.289 0.000 0.000) 12.289 4.007 ( -2.473 -0.000 -0.000) 2.473 4.574 ( 0.170 0.000 0.000) 0.170 4.718 ( -15.418 -0.000 -0.000) 15.418 4.835 ( 1.788 0.000 0.000) 1.788 4.978 ( -22.113 -0.000 -0.000) 22.113 5.257 ( 11.123 0.000 0.000) 11.123 5.458 ( -23.274 -0.000 -0.000) 23.274 5.830 ( -17.465 -0.000 -0.000) 17.465 6.036 ( -5.254 -0.000 -0.000) 5.254 6.844 ( 1.284 0.000 0.000) 1.284 6.957 ( -4.254 -0.000 -0.000) 4.254 7.082 ( -10.149 -0.000 -0.000) 10.149 7.299 ( -4.274 -0.000 -0.000) 4.274 7.481 ( 21.763 0.000 0.000) 21.763 7.558 ( -5.593 -0.000 -0.000) 5.593 8.226 ( 24.902 0.000 0.000) 24.902 8.384 ( 9.293 0.000 0.000) 9.293 8.994 ( -0.440 -0.000 -0.000) 0.440 9.277 ( -3.561 -0.000 -0.000) 3.561 9.913 ( 9.302 0.000 0.000) 9.302 9.916 ( 0.823 0.000 0.000) 0.823 9.955 ( 8.856 0.000 0.000) 8.856 10.073 ( 2.130 0.000 0.000) 2.130 10.814 ( 0.318 0.000 0.000) 0.318 11.465 ( 5.393 0.000 0.000) 5.393 14.818 ( -9.595 -0.000 -0.000) 9.595 15.860 ( 3.466 0.000 0.000) 3.466 16.517 ( 16.890 0.000 0.000) 16.890 16.519 ( -14.315 -0.000 -0.000) 14.315 ======================= Grid point 249 (127/135) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 12.668 16.640) 20.913 2.213 ( 0.000 17.195 6.842) 18.507 2.751 ( 0.000 6.079 0.597) 6.109 3.001 ( 0.000 -4.641 10.123) 11.136 3.266 ( -0.000 -10.591 1.799) 10.742 3.340 ( -0.000 -0.763 -5.055) 5.112 3.687 ( -0.000 -2.079 2.179) 3.012 3.817 ( -0.000 -7.853 -9.967) 12.689 4.024 ( 0.000 12.579 4.541) 13.374 4.506 ( -0.000 -6.339 5.621) 8.473 4.941 ( -0.000 -6.339 4.875) 7.997 4.959 ( 0.000 10.783 -0.248) 10.786 5.040 ( 0.000 0.797 8.196) 8.234 5.592 ( 0.000 3.632 1.229) 3.834 5.774 ( 0.000 1.153 4.208) 4.363 6.122 ( -0.000 -1.898 -0.816) 2.066 6.524 ( -0.000 -20.891 -0.504) 20.897 6.686 ( -0.000 2.294 -6.033) 6.454 6.724 ( -0.000 -2.294 -6.253) 6.660 7.173 ( -0.000 -9.549 4.733) 10.657 7.346 ( -0.000 -6.149 1.588) 6.351 8.146 ( 0.000 6.806 4.857) 8.361 8.529 ( -0.000 4.668 -24.722) 25.159 8.867 ( 0.000 3.142 -6.258) 7.003 9.108 ( 0.000 2.220 5.146) 5.605 9.266 ( -0.000 -5.864 5.546) 8.071 9.940 ( -0.000 0.385 -1.974) 2.011 10.137 ( -0.000 -0.578 -2.588) 2.652 10.519 ( 0.000 3.663 16.526) 16.927 10.703 ( 0.000 0.635 -1.140) 1.305 10.715 ( 0.000 4.748 -2.069) 5.179 11.542 ( -0.000 -0.856 -4.355) 4.439 14.333 ( 0.000 -0.478 3.813) 3.843 15.807 ( 0.000 5.887 -11.208) 12.660 15.950 ( -0.000 -1.292 0.837) 1.539 17.176 ( -0.000 -2.444 -7.335) 7.731 ======================= Grid point 254 (128/135) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -8.556 14.525 -0.000) 16.857 2.298 ( -13.993 16.862 -0.000) 21.912 2.594 ( 8.895 -0.580 0.000) 8.914 3.064 ( -12.353 -1.785 -0.000) 12.481 3.345 ( -1.136 -7.969 0.000) 8.049 3.474 ( -11.882 -0.649 -0.000) 11.900 3.833 ( -16.301 2.591 -0.000) 16.506 3.978 ( 0.067 11.384 -0.000) 11.384 4.007 ( -7.351 -7.176 -0.000) 10.273 4.446 ( -0.298 -8.039 0.000) 8.045 4.803 ( 7.048 -6.605 0.000) 9.659 4.927 ( 1.558 -1.502 0.000) 2.164 4.940 ( 2.646 13.086 -0.000) 13.351 5.580 ( -0.788 1.070 -0.000) 1.329 5.780 ( -4.350 2.761 -0.000) 5.152 5.980 ( 10.783 -10.004 0.000) 14.709 6.632 ( -6.520 -10.734 -0.000) 12.559 6.783 ( -3.328 1.714 -0.000) 3.743 6.843 ( -3.542 -5.328 -0.000) 6.398 7.153 ( -3.398 -7.092 -0.000) 7.864 7.378 ( -4.472 -7.054 -0.000) 8.352 8.033 ( 5.799 5.186 0.000) 7.779 8.751 ( 6.549 5.151 0.000) 8.331 8.904 ( 7.701 3.312 0.000) 8.383 8.995 ( 0.661 1.239 0.000) 1.405 9.209 ( -0.747 -3.836 0.000) 3.908 9.952 ( 0.836 0.832 0.000) 1.180 10.161 ( 3.443 3.598 0.000) 4.980 10.237 ( 3.628 -1.305 0.000) 3.855 10.553 ( 13.282 1.898 0.000) 13.417 10.761 ( -1.128 3.123 -0.000) 3.321 11.585 ( 0.750 0.508 0.000) 0.906 14.388 ( -8.363 -1.113 -0.000) 8.437 15.920 ( 0.493 4.484 -0.000) 4.511 16.023 ( -6.912 0.609 -0.000) 6.939 17.158 ( 9.232 -4.370 0.000) 10.214 ======================= Grid point 276 (129/135) ======================= q-point: ( 0.63 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.000 -0.000 17.226) 17.226 2.527 ( 0.000 -0.000 5.401) 5.401 2.869 ( 0.000 -0.000 2.334) 2.334 3.026 ( -0.000 0.000 -8.359) 8.359 3.246 ( 0.000 -0.000 5.610) 5.610 3.357 ( 0.000 -0.000 10.427) 10.427 3.418 ( -0.000 0.000 -14.751) 14.751 3.711 ( 0.000 -0.000 2.800) 2.800 4.188 ( 0.000 -0.000 5.723) 5.723 4.628 ( 0.000 -0.000 11.865) 11.865 5.013 ( 0.000 -0.000 6.513) 6.513 5.246 ( 0.000 -0.000 5.352) 5.352 5.249 ( 0.000 -0.000 12.679) 12.679 5.664 ( 0.000 -0.000 1.077) 1.077 5.895 ( 0.000 -0.000 5.762) 5.762 6.059 ( -0.000 0.000 -2.883) 2.883 6.342 ( 0.000 -0.000 8.358) 8.358 6.496 ( -0.000 0.000 -12.622) 12.622 6.594 ( -0.000 0.000 -7.457) 7.457 7.166 ( 0.000 -0.000 5.593) 5.593 7.339 ( 0.000 -0.000 2.123) 2.123 7.918 ( -0.000 0.000 -35.116) 35.116 8.370 ( 0.000 -0.000 8.474) 8.474 8.768 ( -0.000 0.000 -6.270) 6.270 9.236 ( 0.000 -0.000 4.818) 4.818 9.326 ( 0.000 -0.000 6.384) 6.384 9.862 ( -0.000 0.000 -5.385) 5.385 10.069 ( -0.000 0.000 -2.385) 2.385 10.670 ( -0.000 0.000 -2.313) 2.313 10.701 ( -0.000 0.000 -3.557) 3.557 10.953 ( 0.000 -0.000 18.587) 18.587 11.386 ( -0.000 0.000 -8.624) 8.624 14.455 ( 0.000 -0.000 7.624) 7.624 15.535 ( -0.000 0.000 -18.156) 18.156 15.950 ( 0.000 -0.000 0.761) 0.761 16.993 ( -0.000 0.000 -8.881) 8.881 ======================= Grid point 282 (130/135) ======================= q-point: ( 0.62 -0.49 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -5.937 -0.000 11.109) 12.596 2.554 ( -13.371 -0.000 6.679) 14.946 2.632 ( 11.507 -0.000 4.549) 12.373 3.141 ( -10.470 -0.000 7.538) 12.902 3.248 ( -6.331 -0.000 1.243) 6.452 3.472 ( -17.207 0.000 0.357) 17.211 3.767 ( -2.992 0.000 -12.441) 12.796 3.872 ( -18.619 0.000 0.827) 18.638 4.086 ( 3.382 -0.000 0.161) 3.385 4.427 ( 1.984 -0.000 6.088) 6.403 4.788 ( 6.520 -0.000 5.488) 8.522 5.001 ( 1.908 -0.000 7.984) 8.209 5.180 ( 1.123 0.000 -0.321) 1.168 5.626 ( 0.668 -0.000 1.964) 2.075 5.835 ( 14.272 -0.000 3.145) 14.615 5.847 ( -4.638 -0.000 3.239) 5.657 6.484 ( -13.646 0.000 -1.108) 13.691 6.737 ( -2.808 0.000 -6.809) 7.365 6.739 ( -2.776 0.000 -3.654) 4.589 7.120 ( -4.552 -0.000 3.773) 5.912 7.340 ( -3.485 -0.000 1.231) 3.695 8.140 ( 7.298 -0.000 4.872) 8.775 8.516 ( 5.365 0.000 -24.199) 24.786 8.831 ( 6.832 0.000 -6.446) 9.393 9.104 ( 2.064 -0.000 5.544) 5.916 9.215 ( -0.949 -0.000 4.051) 4.161 9.934 ( 0.928 0.000 -2.460) 2.629 10.094 ( 2.980 0.000 -3.361) 4.492 10.490 ( 5.817 -0.000 16.046) 17.068 10.568 ( 12.322 -0.000 -0.260) 12.325 10.779 ( -1.289 0.000 -0.945) 1.599 11.534 ( 0.417 0.000 -5.165) 5.182 14.415 ( -7.663 -0.000 3.594) 8.464 15.852 ( 1.124 0.000 -10.643) 10.702 16.015 ( -6.844 0.000 -0.956) 6.911 17.060 ( 8.185 0.000 -4.863) 9.520 ======================= Grid point 288 (131/135) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -13.453 -0.000 -0.000) 13.453 2.343 ( 9.815 0.000 0.000) 9.815 2.833 ( -19.488 -0.000 -0.000) 19.488 3.249 ( 1.947 0.000 0.000) 1.947 3.320 ( -11.379 -0.000 -0.000) 11.379 3.722 ( 0.738 0.000 0.000) 0.738 3.967 ( -2.070 -0.000 -0.000) 2.070 4.239 ( -22.825 -0.000 -0.000) 22.825 4.245 ( 9.607 0.000 0.000) 9.607 4.401 ( -29.307 -0.000 -0.000) 29.307 4.608 ( 3.773 0.000 0.000) 3.773 4.871 ( 1.717 0.000 0.000) 1.717 5.205 ( -3.526 -0.000 -0.000) 3.526 5.503 ( 12.630 0.000 0.000) 12.630 5.619 ( -4.020 -0.000 -0.000) 4.020 5.925 ( -5.408 -0.000 -0.000) 5.408 6.761 ( -9.199 -0.000 -0.000) 9.199 6.861 ( -4.569 -0.000 -0.000) 4.569 6.900 ( -6.075 -0.000 -0.000) 6.075 7.188 ( -5.699 -0.000 -0.000) 5.699 7.429 ( -5.936 -0.000 -0.000) 5.936 7.865 ( 14.308 0.000 0.000) 14.308 8.609 ( 10.776 0.000 0.000) 10.776 8.673 ( 16.880 0.000 0.000) 16.880 8.995 ( 0.495 0.000 0.000) 0.495 9.212 ( -2.582 -0.000 -0.000) 2.582 9.937 ( 1.135 0.000 0.000) 1.135 10.085 ( 6.831 0.000 0.000) 6.831 10.140 ( 3.977 0.000 0.000) 3.977 10.236 ( 16.391 0.000 0.000) 16.391 10.809 ( -0.656 -0.000 -0.000) 0.656 11.556 ( 3.028 0.000 0.000) 3.028 14.592 ( -11.226 -0.000 -0.000) 11.226 15.922 ( 2.346 0.000 0.000) 2.346 16.238 ( -11.825 -0.000 -0.000) 11.825 16.859 ( 14.780 0.000 0.000) 14.780 ======================= Grid point 298 (132/135) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 14.605 -0.000) 14.605 2.137 ( 0.000 18.566 -0.000) 18.566 2.744 ( 0.000 5.482 -0.000) 5.482 2.875 ( -0.000 -5.952 0.000) 5.952 3.245 ( -0.000 -11.855 0.000) 11.855 3.408 ( -0.000 -2.475 0.000) 2.475 3.648 ( -0.000 -0.479 0.000) 0.479 3.936 ( -0.000 -5.147 0.000) 5.147 3.986 ( 0.000 17.400 -0.000) 17.400 4.444 ( -0.000 -6.584 0.000) 6.584 4.880 ( -0.000 -9.043 0.000) 9.043 4.951 ( -0.000 -0.326 0.000) 0.326 4.972 ( 0.000 10.388 -0.000) 10.388 5.578 ( 0.000 4.342 -0.000) 4.342 5.726 ( 0.000 1.182 -0.000) 1.182 6.131 ( -0.000 -1.423 0.000) 1.423 6.533 ( -0.000 -24.115 0.000) 24.115 6.745 ( 0.000 1.614 -0.000) 1.614 6.802 ( -0.000 -3.557 0.000) 3.557 7.115 ( -0.000 -7.986 0.000) 7.986 7.329 ( -0.000 -5.739 0.000) 5.739 8.092 ( 0.000 6.141 -0.000) 6.141 8.822 ( 0.000 5.386 -0.000) 5.386 8.983 ( 0.000 3.979 -0.000) 3.979 9.003 ( 0.000 1.233 -0.000) 1.233 9.202 ( -0.000 -4.465 0.000) 4.465 9.961 ( 0.000 0.889 -0.000) 0.889 10.198 ( 0.000 3.748 -0.000) 3.748 10.280 ( -0.000 -1.491 0.000) 1.491 10.717 ( 0.000 0.703 -0.000) 0.703 10.737 ( 0.000 4.713 -0.000) 4.713 11.589 ( -0.000 -0.111 0.000) 0.111 14.292 ( -0.000 -0.855 0.000) 0.855 15.931 ( 0.000 6.747 -0.000) 6.747 15.942 ( -0.000 -0.838 0.000) 0.838 17.259 ( -0.000 -4.924 0.000) 4.924 ======================= Grid point 326 (133/135) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 -0.000 15.154) 15.154 2.400 ( 0.000 -0.000 5.111) 5.111 2.825 ( 0.000 -0.000 1.559) 1.559 2.946 ( 0.000 -0.000 11.206) 11.206 3.145 ( 0.000 -0.000 3.610) 3.610 3.311 ( -0.000 0.000 -3.867) 3.867 3.665 ( 0.000 -0.000 1.791) 1.791 3.731 ( -0.000 0.000 -12.849) 12.849 4.135 ( 0.000 -0.000 0.086) 0.086 4.443 ( 0.000 -0.000 5.877) 5.877 4.860 ( 0.000 -0.000 7.084) 7.084 5.027 ( 0.000 -0.000 7.487) 7.487 5.197 ( 0.000 -0.000 0.323) 0.323 5.645 ( 0.000 -0.000 0.654) 0.654 5.786 ( 0.000 -0.000 4.203) 4.203 6.103 ( -0.000 0.000 -1.343) 1.343 6.221 ( 0.000 -0.000 3.356) 3.356 6.708 ( -0.000 0.000 -7.079) 7.079 6.708 ( -0.000 0.000 -3.432) 3.432 7.068 ( 0.000 -0.000 3.430) 3.430 7.303 ( 0.000 -0.000 1.169) 1.169 8.216 ( 0.000 -0.000 5.553) 5.553 8.575 ( -0.000 0.000 -25.268) 25.268 8.898 ( -0.000 0.000 -5.998) 5.998 9.131 ( 0.000 -0.000 5.082) 5.082 9.206 ( 0.000 -0.000 4.434) 4.434 9.945 ( -0.000 0.000 -2.437) 2.437 10.128 ( -0.000 0.000 -3.386) 3.386 10.556 ( 0.000 -0.000 18.027) 18.027 10.709 ( -0.000 0.000 -1.318) 1.318 10.762 ( -0.000 0.000 -2.013) 2.013 11.533 ( -0.000 0.000 -4.993) 4.993 14.329 ( 0.000 -0.000 4.169) 4.169 15.867 ( -0.000 0.000 -11.984) 11.984 15.937 ( 0.000 -0.000 0.399) 0.399 17.148 ( -0.000 0.000 -5.427) 5.427 ======================= Grid point 332 (134/135) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -9.197 -0.000 -0.000) 9.197 2.482 ( -12.605 -0.000 -0.000) 12.605 2.572 ( 11.371 0.000 0.000) 11.371 3.056 ( -12.851 -0.000 -0.000) 12.851 3.226 ( -5.365 -0.000 -0.000) 5.365 3.477 ( -14.309 -0.000 -0.000) 14.309 3.862 ( -19.630 -0.000 -0.000) 19.630 3.915 ( -2.486 -0.000 -0.000) 2.486 4.092 ( 3.232 0.000 0.000) 3.232 4.361 ( 2.235 0.000 0.000) 2.235 4.718 ( 4.920 0.000 0.000) 4.920 4.914 ( 2.344 0.000 0.000) 2.344 5.189 ( 0.590 0.000 0.000) 0.590 5.602 ( 1.496 0.000 0.000) 1.496 5.802 ( 15.602 0.000 0.000) 15.602 5.811 ( -5.170 -0.000 -0.000) 5.170 6.496 ( -14.902 -0.000 -0.000) 14.902 6.778 ( -3.020 -0.000 -0.000) 3.020 6.813 ( -2.647 -0.000 -0.000) 2.647 7.078 ( -4.239 -0.000 -0.000) 4.239 7.327 ( -3.415 -0.000 -0.000) 3.415 8.085 ( 6.671 0.000 0.000) 6.671 8.801 ( 6.723 0.000 0.000) 6.723 8.936 ( 8.199 0.000 0.000) 8.199 9.009 ( 0.666 0.000 0.000) 0.666 9.170 ( -1.340 -0.000 -0.000) 1.340 9.960 ( 0.886 0.000 0.000) 0.886 10.196 ( 3.581 0.000 0.000) 3.581 10.225 ( 3.512 0.000 0.000) 3.512 10.570 ( 13.308 0.000 0.000) 13.308 10.793 ( -0.762 -0.000 -0.000) 0.762 11.589 ( 0.318 0.000 0.000) 0.318 14.377 ( -8.208 -0.000 -0.000) 8.208 15.952 ( 0.125 0.000 0.000) 0.125 16.043 ( -5.840 -0.000 -0.000) 5.840 17.113 ( 8.732 0.000 0.000) 8.732 ======================= Grid point 377 (135/135) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.000 0.000 0.000) 0.000 2.342 ( -0.000 0.000 -0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.808 ( -0.000 0.000 -0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.361 ( -0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.884 ( -0.000 0.000 0.000) 0.000 4.141 ( -0.000 0.000 -0.000) 0.000 4.379 ( -0.000 0.000 0.000) 0.000 4.770 ( -0.000 0.000 -0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.199 ( -0.000 0.000 -0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.737 ( -0.000 0.000 0.000) 0.000 6.117 ( -0.000 0.000 0.000) 0.000 6.188 ( -0.000 0.000 -0.000) 0.000 6.744 ( -0.000 0.000 0.000) 0.000 6.785 ( -0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 -0.000) 0.000 7.290 ( -0.000 0.000 0.000) 0.000 8.154 ( -0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.017 ( -0.000 0.000 0.000) 0.000 9.023 ( -0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.970 ( -0.000 0.000 0.000) 0.000 10.234 ( -0.000 0.000 0.000) 0.000 10.266 ( -0.000 0.000 0.000) 0.000 10.723 ( -0.000 0.000 0.000) 0.000 10.783 ( -0.000 0.000 0.000) 0.000 11.588 ( -0.000 0.000 0.000) 0.000 14.284 ( -0.000 0.000 0.000) 0.000 15.933 ( -0.000 0.000 -0.000) 0.000 16.000 ( -0.000 0.000 0.000) 0.000 17.208 ( -0.000 0.000 0.000) 0.000 =================== 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 3/25920 10.0 1857.049 1791.461 2018.611 -0.000 0.000 0.000 3/25920 20.0 398.782 332.926 360.901 -0.000 0.000 0.000 3/25920 30.0 128.502 109.998 114.345 -0.000 0.000 0.000 3/25920 40.0 62.654 53.344 54.980 -0.000 0.000 0.000 3/25920 50.0 38.485 32.243 33.043 -0.000 0.000 0.000 3/25920 60.0 26.977 22.271 22.770 -0.000 0.000 0.000 3/25920 70.0 20.531 16.752 17.147 -0.000 0.000 0.000 3/25920 80.0 16.507 13.344 13.708 -0.000 0.000 0.000 3/25920 90.0 13.794 11.065 11.424 -0.000 0.000 0.000 3/25920 100.0 11.855 9.447 9.810 -0.000 0.000 0.000 3/25920 110.0 10.406 8.245 8.612 -0.000 0.000 0.000 3/25920 120.0 9.283 7.320 7.689 -0.000 0.000 0.000 3/25920 130.0 8.389 6.586 6.956 -0.000 0.000 0.000 3/25920 140.0 7.659 5.990 6.359 -0.000 0.000 0.000 3/25920 150.0 7.051 5.496 5.863 -0.000 0.000 0.000 3/25920 160.0 6.537 5.080 5.443 -0.000 0.000 0.000 3/25920 170.0 6.097 4.726 5.084 -0.000 0.000 0.000 3/25920 180.0 5.714 4.419 4.772 -0.000 0.000 0.000 3/25920 190.0 5.379 4.151 4.499 -0.000 0.000 0.000 3/25920 200.0 5.083 3.915 4.257 -0.000 0.000 0.000 3/25920 210.0 4.819 3.706 4.041 -0.000 0.000 0.000 3/25920 220.0 4.582 3.519 3.847 -0.000 0.000 0.000 3/25920 230.0 4.368 3.350 3.672 -0.000 0.000 0.000 3/25920 240.0 4.174 3.197 3.513 -0.000 0.000 0.000 3/25920 250.0 3.997 3.058 3.368 -0.000 0.000 0.000 3/25920 260.0 3.835 2.932 3.234 -0.000 0.000 0.000 3/25920 270.0 3.686 2.815 3.112 -0.000 0.000 0.000 3/25920 280.0 3.549 2.708 2.998 -0.000 0.000 0.000 3/25920 290.0 3.421 2.609 2.893 -0.000 0.000 0.000 3/25920 300.0 3.303 2.517 2.795 -0.000 0.000 0.000 3/25920 310.0 3.193 2.431 2.704 -0.000 0.000 0.000 3/25920 320.0 3.090 2.351 2.618 -0.000 0.000 0.000 3/25920 330.0 2.993 2.277 2.538 -0.000 0.000 0.000 3/25920 340.0 2.903 2.207 2.463 -0.000 0.000 0.000 3/25920 350.0 2.818 2.141 2.392 -0.000 0.000 0.000 3/25920 360.0 2.737 2.079 2.325 -0.000 0.000 0.000 3/25920 370.0 2.662 2.021 2.262 -0.000 0.000 0.000 3/25920 380.0 2.590 1.966 2.203 -0.000 0.000 0.000 3/25920 390.0 2.523 1.914 2.146 -0.000 0.000 0.000 3/25920 400.0 2.458 1.865 2.092 -0.000 0.000 0.000 3/25920 410.0 2.397 1.818 2.041 -0.000 0.000 0.000 3/25920 420.0 2.339 1.773 1.993 -0.000 0.000 0.000 3/25920 430.0 2.284 1.731 1.946 -0.000 0.000 0.000 3/25920 440.0 2.231 1.691 1.902 -0.000 0.000 0.000 3/25920 450.0 2.181 1.652 1.860 -0.000 0.000 0.000 3/25920 460.0 2.133 1.616 1.819 -0.000 0.000 0.000 3/25920 470.0 2.087 1.581 1.781 -0.000 0.000 0.000 3/25920 480.0 2.043 1.547 1.744 -0.000 0.000 0.000 3/25920 490.0 2.001 1.515 1.708 -0.000 0.000 0.000 3/25920 500.0 1.961 1.484 1.674 -0.000 0.000 0.000 3/25920 510.0 1.922 1.454 1.641 -0.000 0.000 0.000 3/25920 520.0 1.885 1.426 1.610 -0.000 0.000 0.000 3/25920 530.0 1.849 1.399 1.580 -0.000 0.000 0.000 3/25920 540.0 1.814 1.372 1.550 -0.000 0.000 0.000 3/25920 550.0 1.781 1.347 1.522 -0.000 0.000 0.000 3/25920 560.0 1.749 1.323 1.495 -0.000 0.000 0.000 3/25920 570.0 1.718 1.299 1.469 -0.000 0.000 0.000 3/25920 580.0 1.688 1.276 1.444 -0.000 0.000 0.000 3/25920 590.0 1.659 1.254 1.419 -0.000 0.000 0.000 3/25920 600.0 1.631 1.233 1.396 -0.000 0.000 0.000 3/25920 610.0 1.605 1.213 1.373 -0.000 0.000 0.000 3/25920 620.0 1.579 1.193 1.351 -0.000 0.000 0.000 3/25920 630.0 1.553 1.174 1.330 -0.000 0.000 0.000 3/25920 640.0 1.529 1.155 1.309 -0.000 0.000 0.000 3/25920 650.0 1.505 1.137 1.289 -0.000 0.000 0.000 3/25920 660.0 1.482 1.120 1.269 -0.000 0.000 0.000 3/25920 670.0 1.460 1.103 1.250 -0.000 0.000 0.000 3/25920 680.0 1.439 1.087 1.232 -0.000 0.000 0.000 3/25920 690.0 1.418 1.071 1.214 -0.000 0.000 0.000 3/25920 700.0 1.397 1.055 1.197 -0.000 0.000 0.000 3/25920 710.0 1.378 1.040 1.180 -0.000 0.000 0.000 3/25920 720.0 1.358 1.026 1.164 -0.000 0.000 0.000 3/25920 730.0 1.340 1.012 1.148 -0.000 0.000 0.000 3/25920 740.0 1.321 0.998 1.132 -0.000 0.000 0.000 3/25920 750.0 1.304 0.984 1.117 -0.000 0.000 0.000 3/25920 760.0 1.287 0.971 1.103 -0.000 0.000 0.000 3/25920 770.0 1.270 0.959 1.088 -0.000 0.000 0.000 3/25920 780.0 1.253 0.946 1.074 -0.000 0.000 0.000 3/25920 790.0 1.238 0.934 1.061 -0.000 0.000 0.000 3/25920 800.0 1.222 0.923 1.048 -0.000 0.000 0.000 3/25920 810.0 1.207 0.911 1.035 -0.000 0.000 0.000 3/25920 820.0 1.192 0.900 1.022 -0.000 0.000 0.000 3/25920 830.0 1.178 0.889 1.010 -0.000 0.000 0.000 3/25920 840.0 1.164 0.878 0.998 -0.000 0.000 0.000 3/25920 850.0 1.150 0.868 0.986 -0.000 0.000 0.000 3/25920 860.0 1.137 0.858 0.975 -0.000 0.000 0.000 3/25920 870.0 1.123 0.848 0.964 -0.000 0.000 0.000 3/25920 880.0 1.111 0.838 0.953 -0.000 0.000 0.000 3/25920 890.0 1.098 0.829 0.942 -0.000 0.000 0.000 3/25920 900.0 1.086 0.820 0.932 -0.000 0.000 0.000 3/25920 910.0 1.074 0.810 0.921 -0.000 0.000 0.000 3/25920 920.0 1.062 0.802 0.911 -0.000 0.000 0.000 3/25920 930.0 1.051 0.793 0.902 -0.000 0.000 0.000 3/25920 940.0 1.040 0.784 0.892 -0.000 0.000 0.000 3/25920 950.0 1.029 0.776 0.883 -0.000 0.000 0.000 3/25920 960.0 1.018 0.768 0.873 -0.000 0.000 0.000 3/25920 970.0 1.007 0.760 0.864 -0.000 0.000 0.000 3/25920 980.0 0.997 0.752 0.856 -0.000 0.000 0.000 3/25920 990.0 0.987 0.745 0.847 -0.000 0.000 0.000 3/25920 1000.0 0.977 0.737 0.839 -0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m11720.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|