----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:47:49]------------------------- 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: [3 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.935875545000000 2.983099640000000 5.804554595000001 b 1.935875545000000 -2.983099640000000 5.804554595000001 c 1.935875545000000 2.983099640000000 -5.804554595000001 Atomic positions (fractional): *1 Li 0.90232711857814 0.12046441879180 0.78186269978634 6.941 2 Li 0.09767288142187 0.87953558120820 0.21813730021366 6.941 3 Li 0.66139828099454 0.87953558120820 0.78186269978634 6.941 *4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.33860171900546 0.12046441879180 0.21813730021366 6.941 *6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 *7 Br 0.32575796302264 0.32575796302264 0.00000000000000 79.904 8 Br 0.67424203697736 0.67424203697736 0.00000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.871751090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.966199280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.609109190000002 Atomic positions (fractional): *1 Li 0.00000000000000 0.78186269978634 0.12046441879180 6.941 > 1 2 Li 0.50000000000000 0.71813730021366 0.37953558120820 6.941 > 2 3 Li 0.50000000000000 0.28186269978634 0.37953558120820 6.941 > 3 *4 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 4 5 Li 0.00000000000000 0.21813730021366 0.12046441879180 6.941 > 5 6 Li 0.50000000000000 0.28186269978634 0.62046441879180 6.941 > 1 7 Li 0.00000000000000 0.21813730021366 0.87953558120820 6.941 > 2 8 Li 0.00000000000000 0.78186269978634 0.87953558120820 6.941 > 3 9 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 4 10 Li 0.50000000000000 0.71813730021366 0.62046441879180 6.941 > 5 *11 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 6 12 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 > 6 *13 Br 0.00000000000000 0.00000000000000 0.32575796302264 79.904 > 7 14 Br 0.50000000000000 0.50000000000000 0.17424203697736 79.904 > 8 15 Br 0.50000000000000 0.50000000000000 0.82575796302264 79.904 > 7 16 Br 0.00000000000000 0.00000000000000 0.67424203697736 79.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.615253270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.932398559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.609109190000002 Atomic positions (fractional): *1 Li 0.00000000000000 0.39093134989317 0.12046441879180 6.941 > 1 2 Li 0.33333333333333 0.39093134989317 0.12046441879180 6.941 > 1 3 Li 0.66666666666667 0.39093134989317 0.12046441879180 6.941 > 1 4 Li 0.00000000000000 0.89093134989317 0.12046441879180 6.941 > 1 5 Li 0.33333333333333 0.89093134989317 0.12046441879180 6.941 > 1 6 Li 0.66666666666667 0.89093134989317 0.12046441879180 6.941 > 1 7 Li 0.16666666666667 0.35906865010683 0.37953558120820 6.941 > 2 8 Li 0.50000000000000 0.35906865010683 0.37953558120820 6.941 > 2 9 Li 0.83333333333333 0.35906865010683 0.37953558120820 6.941 > 2 10 Li 0.16666666666667 0.85906865010683 0.37953558120820 6.941 > 2 11 Li 0.50000000000000 0.85906865010683 0.37953558120820 6.941 > 2 12 Li 0.83333333333333 0.85906865010683 0.37953558120820 6.941 > 2 13 Li 0.16666666666667 0.14093134989317 0.37953558120820 6.941 > 3 14 Li 0.50000000000000 0.14093134989317 0.37953558120820 6.941 > 3 15 Li 0.83333333333333 0.14093134989317 0.37953558120820 6.941 > 3 16 Li 0.16666666666667 0.64093134989317 0.37953558120820 6.941 > 3 17 Li 0.50000000000000 0.64093134989317 0.37953558120820 6.941 > 3 18 Li 0.83333333333333 0.64093134989317 0.37953558120820 6.941 > 3 *19 Li 0.16666666666667 0.00000000000000 0.00000000000000 6.941 > 4 20 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 4 21 Li 0.83333333333333 0.00000000000000 0.00000000000000 6.941 > 4 22 Li 0.16666666666667 0.50000000000000 0.00000000000000 6.941 > 4 23 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 4 24 Li 0.83333333333333 0.50000000000000 0.00000000000000 6.941 > 4 25 Li 0.00000000000000 0.10906865010683 0.12046441879180 6.941 > 5 26 Li 0.33333333333333 0.10906865010683 0.12046441879180 6.941 > 5 27 Li 0.66666666666667 0.10906865010683 0.12046441879180 6.941 > 5 28 Li 0.00000000000000 0.60906865010683 0.12046441879180 6.941 > 5 29 Li 0.33333333333333 0.60906865010683 0.12046441879180 6.941 > 5 30 Li 0.66666666666667 0.60906865010683 0.12046441879180 6.941 > 5 31 Li 0.16666666666667 0.14093134989317 0.62046441879180 6.941 > 1 32 Li 0.50000000000000 0.14093134989317 0.62046441879180 6.941 > 1 33 Li 0.83333333333333 0.14093134989317 0.62046441879180 6.941 > 1 34 Li 0.16666666666667 0.64093134989317 0.62046441879180 6.941 > 1 35 Li 0.50000000000000 0.64093134989317 0.62046441879180 6.941 > 1 36 Li 0.83333333333333 0.64093134989317 0.62046441879180 6.941 > 1 37 Li 0.00000000000000 0.10906865010683 0.87953558120820 6.941 > 2 38 Li 0.33333333333333 0.10906865010683 0.87953558120820 6.941 > 2 39 Li 0.66666666666667 0.10906865010683 0.87953558120820 6.941 > 2 40 Li 0.00000000000000 0.60906865010683 0.87953558120820 6.941 > 2 41 Li 0.33333333333333 0.60906865010683 0.87953558120820 6.941 > 2 42 Li 0.66666666666667 0.60906865010683 0.87953558120820 6.941 > 2 43 Li 0.00000000000000 0.39093134989317 0.87953558120820 6.941 > 3 44 Li 0.33333333333333 0.39093134989317 0.87953558120820 6.941 > 3 45 Li 0.66666666666667 0.39093134989317 0.87953558120820 6.941 > 3 46 Li 0.00000000000000 0.89093134989317 0.87953558120820 6.941 > 3 47 Li 0.33333333333333 0.89093134989317 0.87953558120820 6.941 > 3 48 Li 0.66666666666667 0.89093134989317 0.87953558120820 6.941 > 3 49 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 4 50 Li 0.33333333333333 0.25000000000000 0.50000000000000 6.941 > 4 51 Li 0.66666666666667 0.25000000000000 0.50000000000000 6.941 > 4 52 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 4 53 Li 0.33333333333333 0.75000000000000 0.50000000000000 6.941 > 4 54 Li 0.66666666666667 0.75000000000000 0.50000000000000 6.941 > 4 55 Li 0.16666666666667 0.35906865010683 0.62046441879180 6.941 > 5 56 Li 0.50000000000000 0.35906865010683 0.62046441879180 6.941 > 5 57 Li 0.83333333333333 0.35906865010683 0.62046441879180 6.941 > 5 58 Li 0.16666666666667 0.85906865010683 0.62046441879180 6.941 > 5 59 Li 0.50000000000000 0.85906865010683 0.62046441879180 6.941 > 5 60 Li 0.83333333333333 0.85906865010683 0.62046441879180 6.941 > 5 *61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 6 62 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 6 63 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 6 64 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 6 65 N 0.33333333333333 0.50000000000000 0.00000000000000 14.007 > 6 66 N 0.66666666666667 0.50000000000000 0.00000000000000 14.007 > 6 67 N 0.16666666666667 0.25000000000000 0.50000000000000 14.007 > 6 68 N 0.50000000000000 0.25000000000000 0.50000000000000 14.007 > 6 69 N 0.83333333333333 0.25000000000000 0.50000000000000 14.007 > 6 70 N 0.16666666666667 0.75000000000000 0.50000000000000 14.007 > 6 71 N 0.50000000000000 0.75000000000000 0.50000000000000 14.007 > 6 72 N 0.83333333333333 0.75000000000000 0.50000000000000 14.007 > 6 *73 Br 0.00000000000000 0.00000000000000 0.32575796302264 79.904 > 7 74 Br 0.33333333333333 0.00000000000000 0.32575796302264 79.904 > 7 75 Br 0.66666666666667 0.00000000000000 0.32575796302264 79.904 > 7 76 Br 0.00000000000000 0.50000000000000 0.32575796302264 79.904 > 7 77 Br 0.33333333333333 0.50000000000000 0.32575796302264 79.904 > 7 78 Br 0.66666666666667 0.50000000000000 0.32575796302264 79.904 > 7 79 Br 0.16666666666667 0.25000000000000 0.17424203697736 79.904 > 8 80 Br 0.50000000000000 0.25000000000000 0.17424203697736 79.904 > 8 81 Br 0.83333333333333 0.25000000000000 0.17424203697736 79.904 > 8 82 Br 0.16666666666667 0.75000000000000 0.17424203697736 79.904 > 8 83 Br 0.50000000000000 0.75000000000000 0.17424203697736 79.904 > 8 84 Br 0.83333333333333 0.75000000000000 0.17424203697736 79.904 > 8 85 Br 0.16666666666667 0.25000000000000 0.82575796302264 79.904 > 7 86 Br 0.50000000000000 0.25000000000000 0.82575796302264 79.904 > 7 87 Br 0.83333333333333 0.25000000000000 0.82575796302264 79.904 > 7 88 Br 0.16666666666667 0.75000000000000 0.82575796302264 79.904 > 7 89 Br 0.50000000000000 0.75000000000000 0.82575796302264 79.904 > 7 90 Br 0.83333333333333 0.75000000000000 0.82575796302264 79.904 > 7 91 Br 0.00000000000000 0.00000000000000 0.67424203697736 79.904 > 8 92 Br 0.33333333333333 0.00000000000000 0.67424203697736 79.904 > 8 93 Br 0.66666666666667 0.00000000000000 0.67424203697736 79.904 > 8 94 Br 0.00000000000000 0.50000000000000 0.67424203697736 79.904 > 8 95 Br 0.33333333333333 0.50000000000000 0.67424203697736 79.904 > 8 96 Br 0.66666666666667 0.50000000000000 0.67424203697736 79.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9174407 0.0000000 0.0000000 0.0000000 3.9379138 0.0000000 0.0000000 0.0000000 3.8236375 -------------------------- Born effective charges -------------------------- 1 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 2 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 3 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 4 Li 1.0023182 0.0000000 0.0000000 0.0000000 0.7611436 0.0000000 0.0000000 0.0000000 0.6285747 5 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 6 N -2.2830725 0.0000000 0.0000000 0.0000000 -2.1629453 0.0000000 0.0000000 0.0000000 -2.3219034 7 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 8 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 ---------------------------------------------------------------------------- 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: 4434/4434 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 538 Number of blocks in projector: 546 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 56 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (538, 524), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (56, 56), data: True |-- (66, 66), data: True |-- (102, 98), data: True |-- (102, 98), data: True |-- (102, 98), data: True |-- (108, 106), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.400 Solver_block: 160 / 160 - Time: 0.302 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.814 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4434/4434 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 538 Number of blocks in projector: 546 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 56 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (538, 524), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (56, 56), data: True |-- (66, 66), data: True |-- (102, 98), data: True |-- (102, 98), data: True |-- (102, 98), data: True |-- (108, 106), 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 07:47:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:47:56]------------------------- 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): [3 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.935875545000000 2.983099640000000 5.804554595000001 b 1.935875545000000 -2.983099640000000 5.804554595000001 c 1.935875545000000 2.983099640000000 -5.804554595000001 Atomic positions (fractional): 1 Li 0.90232711857814 0.12046441879180 0.78186269978634 6.941 2 Li 0.09767288142187 0.87953558120820 0.21813730021366 6.941 3 Li 0.66139828099454 0.87953558120820 0.78186269978634 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.33860171900546 0.12046441879180 0.21813730021366 6.941 6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 7 Br 0.32575796302264 0.32575796302264 0.00000000000000 79.904 8 Br 0.67424203697736 0.67424203697736 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.615253270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.932398559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.609109190000002 Atomic positions (fractional): 1 Li 0.00000000000000 0.39093134989317 0.12046441879180 6.941 > 1 2 Li 0.33333333333333 0.39093134989317 0.12046441879180 6.941 > 1 3 Li 0.66666666666667 0.39093134989317 0.12046441879180 6.941 > 1 4 Li 0.00000000000000 0.89093134989317 0.12046441879180 6.941 > 1 5 Li 0.33333333333333 0.89093134989317 0.12046441879180 6.941 > 1 6 Li 0.66666666666667 0.89093134989317 0.12046441879180 6.941 > 1 7 Li 0.16666666666667 0.35906865010683 0.37953558120820 6.941 > 7 8 Li 0.50000000000000 0.35906865010683 0.37953558120820 6.941 > 7 9 Li 0.83333333333333 0.35906865010683 0.37953558120820 6.941 > 7 10 Li 0.16666666666667 0.85906865010683 0.37953558120820 6.941 > 7 11 Li 0.50000000000000 0.85906865010683 0.37953558120820 6.941 > 7 12 Li 0.83333333333333 0.85906865010683 0.37953558120820 6.941 > 7 13 Li 0.16666666666667 0.14093134989317 0.37953558120820 6.941 > 13 14 Li 0.50000000000000 0.14093134989317 0.37953558120820 6.941 > 13 15 Li 0.83333333333333 0.14093134989317 0.37953558120820 6.941 > 13 16 Li 0.16666666666667 0.64093134989317 0.37953558120820 6.941 > 13 17 Li 0.50000000000000 0.64093134989317 0.37953558120820 6.941 > 13 18 Li 0.83333333333333 0.64093134989317 0.37953558120820 6.941 > 13 19 Li 0.16666666666667 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.83333333333333 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.16666666666667 0.50000000000000 0.00000000000000 6.941 > 19 23 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 19 24 Li 0.83333333333333 0.50000000000000 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.10906865010683 0.12046441879180 6.941 > 25 26 Li 0.33333333333333 0.10906865010683 0.12046441879180 6.941 > 25 27 Li 0.66666666666667 0.10906865010683 0.12046441879180 6.941 > 25 28 Li 0.00000000000000 0.60906865010683 0.12046441879180 6.941 > 25 29 Li 0.33333333333333 0.60906865010683 0.12046441879180 6.941 > 25 30 Li 0.66666666666667 0.60906865010683 0.12046441879180 6.941 > 25 31 Li 0.16666666666667 0.14093134989317 0.62046441879180 6.941 > 1 32 Li 0.50000000000000 0.14093134989317 0.62046441879180 6.941 > 1 33 Li 0.83333333333333 0.14093134989317 0.62046441879180 6.941 > 1 34 Li 0.16666666666667 0.64093134989317 0.62046441879180 6.941 > 1 35 Li 0.50000000000000 0.64093134989317 0.62046441879180 6.941 > 1 36 Li 0.83333333333333 0.64093134989317 0.62046441879180 6.941 > 1 37 Li 0.00000000000000 0.10906865010683 0.87953558120820 6.941 > 7 38 Li 0.33333333333333 0.10906865010683 0.87953558120820 6.941 > 7 39 Li 0.66666666666667 0.10906865010683 0.87953558120820 6.941 > 7 40 Li 0.00000000000000 0.60906865010683 0.87953558120820 6.941 > 7 41 Li 0.33333333333333 0.60906865010683 0.87953558120820 6.941 > 7 42 Li 0.66666666666667 0.60906865010683 0.87953558120820 6.941 > 7 43 Li 0.00000000000000 0.39093134989317 0.87953558120820 6.941 > 13 44 Li 0.33333333333333 0.39093134989317 0.87953558120820 6.941 > 13 45 Li 0.66666666666667 0.39093134989317 0.87953558120820 6.941 > 13 46 Li 0.00000000000000 0.89093134989317 0.87953558120820 6.941 > 13 47 Li 0.33333333333333 0.89093134989317 0.87953558120820 6.941 > 13 48 Li 0.66666666666667 0.89093134989317 0.87953558120820 6.941 > 13 49 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 19 50 Li 0.33333333333333 0.25000000000000 0.50000000000000 6.941 > 19 51 Li 0.66666666666667 0.25000000000000 0.50000000000000 6.941 > 19 52 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 19 53 Li 0.33333333333333 0.75000000000000 0.50000000000000 6.941 > 19 54 Li 0.66666666666667 0.75000000000000 0.50000000000000 6.941 > 19 55 Li 0.16666666666667 0.35906865010683 0.62046441879180 6.941 > 25 56 Li 0.50000000000000 0.35906865010683 0.62046441879180 6.941 > 25 57 Li 0.83333333333333 0.35906865010683 0.62046441879180 6.941 > 25 58 Li 0.16666666666667 0.85906865010683 0.62046441879180 6.941 > 25 59 Li 0.50000000000000 0.85906865010683 0.62046441879180 6.941 > 25 60 Li 0.83333333333333 0.85906865010683 0.62046441879180 6.941 > 25 61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 61 62 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 61 63 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 61 64 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 61 65 N 0.33333333333333 0.50000000000000 0.00000000000000 14.007 > 61 66 N 0.66666666666667 0.50000000000000 0.00000000000000 14.007 > 61 67 N 0.16666666666667 0.25000000000000 0.50000000000000 14.007 > 61 68 N 0.50000000000000 0.25000000000000 0.50000000000000 14.007 > 61 69 N 0.83333333333333 0.25000000000000 0.50000000000000 14.007 > 61 70 N 0.16666666666667 0.75000000000000 0.50000000000000 14.007 > 61 71 N 0.50000000000000 0.75000000000000 0.50000000000000 14.007 > 61 72 N 0.83333333333333 0.75000000000000 0.50000000000000 14.007 > 61 73 Br 0.00000000000000 0.00000000000000 0.32575796302264 79.904 > 73 74 Br 0.33333333333333 0.00000000000000 0.32575796302264 79.904 > 73 75 Br 0.66666666666667 0.00000000000000 0.32575796302264 79.904 > 73 76 Br 0.00000000000000 0.50000000000000 0.32575796302264 79.904 > 73 77 Br 0.33333333333333 0.50000000000000 0.32575796302264 79.904 > 73 78 Br 0.66666666666667 0.50000000000000 0.32575796302264 79.904 > 73 79 Br 0.16666666666667 0.25000000000000 0.17424203697736 79.904 > 79 80 Br 0.50000000000000 0.25000000000000 0.17424203697736 79.904 > 79 81 Br 0.83333333333333 0.25000000000000 0.17424203697736 79.904 > 79 82 Br 0.16666666666667 0.75000000000000 0.17424203697736 79.904 > 79 83 Br 0.50000000000000 0.75000000000000 0.17424203697736 79.904 > 79 84 Br 0.83333333333333 0.75000000000000 0.17424203697736 79.904 > 79 85 Br 0.16666666666667 0.25000000000000 0.82575796302264 79.904 > 73 86 Br 0.50000000000000 0.25000000000000 0.82575796302264 79.904 > 73 87 Br 0.83333333333333 0.25000000000000 0.82575796302264 79.904 > 73 88 Br 0.16666666666667 0.75000000000000 0.82575796302264 79.904 > 73 89 Br 0.50000000000000 0.75000000000000 0.82575796302264 79.904 > 73 90 Br 0.83333333333333 0.75000000000000 0.82575796302264 79.904 > 73 91 Br 0.00000000000000 0.00000000000000 0.67424203697736 79.904 > 79 92 Br 0.33333333333333 0.00000000000000 0.67424203697736 79.904 > 79 93 Br 0.66666666666667 0.00000000000000 0.67424203697736 79.904 > 79 94 Br 0.00000000000000 0.50000000000000 0.67424203697736 79.904 > 79 95 Br 0.33333333333333 0.50000000000000 0.67424203697736 79.904 > 79 96 Br 0.66666666666667 0.50000000000000 0.67424203697736 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9174407 0.0000000 0.0000000 0.0000000 3.9379138 0.0000000 0.0000000 0.0000000 3.8236375 -------------------------- Born effective charges -------------------------- 1 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 2 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 3 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 4 Li 1.0023182 0.0000000 0.0000000 0.0000000 0.7611436 0.0000000 0.0000000 0.0000000 0.6285747 5 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 6 N -2.2830725 0.0000000 0.0000000 0.0000000 -2.1629453 0.0000000 0.0000000 0.0000000 -2.3219034 7 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 8 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 ---------------------------------------------------------------------------- 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[ 19, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:48:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:48:05]------------------------- 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): [3 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.935875545000000 2.983099640000000 5.804554595000001 b 1.935875545000000 -2.983099640000000 5.804554595000001 c 1.935875545000000 2.983099640000000 -5.804554595000001 Atomic positions (fractional): 1 Li 0.90232711857814 0.12046441879180 0.78186269978634 6.941 2 Li 0.09767288142187 0.87953558120820 0.21813730021366 6.941 3 Li 0.66139828099454 0.87953558120820 0.78186269978634 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.33860171900546 0.12046441879180 0.21813730021366 6.941 6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 7 Br 0.32575796302264 0.32575796302264 0.00000000000000 79.904 8 Br 0.67424203697736 0.67424203697736 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.615253270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.932398559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.609109190000002 Atomic positions (fractional): 1 Li 0.00000000000000 0.39093134989317 0.12046441879180 6.941 > 1 2 Li 0.33333333333333 0.39093134989317 0.12046441879180 6.941 > 1 3 Li 0.66666666666667 0.39093134989317 0.12046441879180 6.941 > 1 4 Li 0.00000000000000 0.89093134989317 0.12046441879180 6.941 > 1 5 Li 0.33333333333333 0.89093134989317 0.12046441879180 6.941 > 1 6 Li 0.66666666666667 0.89093134989317 0.12046441879180 6.941 > 1 7 Li 0.16666666666667 0.35906865010683 0.37953558120820 6.941 > 7 8 Li 0.50000000000000 0.35906865010683 0.37953558120820 6.941 > 7 9 Li 0.83333333333333 0.35906865010683 0.37953558120820 6.941 > 7 10 Li 0.16666666666667 0.85906865010683 0.37953558120820 6.941 > 7 11 Li 0.50000000000000 0.85906865010683 0.37953558120820 6.941 > 7 12 Li 0.83333333333333 0.85906865010683 0.37953558120820 6.941 > 7 13 Li 0.16666666666667 0.14093134989317 0.37953558120820 6.941 > 13 14 Li 0.50000000000000 0.14093134989317 0.37953558120820 6.941 > 13 15 Li 0.83333333333333 0.14093134989317 0.37953558120820 6.941 > 13 16 Li 0.16666666666667 0.64093134989317 0.37953558120820 6.941 > 13 17 Li 0.50000000000000 0.64093134989317 0.37953558120820 6.941 > 13 18 Li 0.83333333333333 0.64093134989317 0.37953558120820 6.941 > 13 19 Li 0.16666666666667 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.83333333333333 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.16666666666667 0.50000000000000 0.00000000000000 6.941 > 19 23 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 19 24 Li 0.83333333333333 0.50000000000000 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.10906865010683 0.12046441879180 6.941 > 25 26 Li 0.33333333333333 0.10906865010683 0.12046441879180 6.941 > 25 27 Li 0.66666666666667 0.10906865010683 0.12046441879180 6.941 > 25 28 Li 0.00000000000000 0.60906865010683 0.12046441879180 6.941 > 25 29 Li 0.33333333333333 0.60906865010683 0.12046441879180 6.941 > 25 30 Li 0.66666666666667 0.60906865010683 0.12046441879180 6.941 > 25 31 Li 0.16666666666667 0.14093134989317 0.62046441879180 6.941 > 1 32 Li 0.50000000000000 0.14093134989317 0.62046441879180 6.941 > 1 33 Li 0.83333333333333 0.14093134989317 0.62046441879180 6.941 > 1 34 Li 0.16666666666667 0.64093134989317 0.62046441879180 6.941 > 1 35 Li 0.50000000000000 0.64093134989317 0.62046441879180 6.941 > 1 36 Li 0.83333333333333 0.64093134989317 0.62046441879180 6.941 > 1 37 Li 0.00000000000000 0.10906865010683 0.87953558120820 6.941 > 7 38 Li 0.33333333333333 0.10906865010683 0.87953558120820 6.941 > 7 39 Li 0.66666666666667 0.10906865010683 0.87953558120820 6.941 > 7 40 Li 0.00000000000000 0.60906865010683 0.87953558120820 6.941 > 7 41 Li 0.33333333333333 0.60906865010683 0.87953558120820 6.941 > 7 42 Li 0.66666666666667 0.60906865010683 0.87953558120820 6.941 > 7 43 Li 0.00000000000000 0.39093134989317 0.87953558120820 6.941 > 13 44 Li 0.33333333333333 0.39093134989317 0.87953558120820 6.941 > 13 45 Li 0.66666666666667 0.39093134989317 0.87953558120820 6.941 > 13 46 Li 0.00000000000000 0.89093134989317 0.87953558120820 6.941 > 13 47 Li 0.33333333333333 0.89093134989317 0.87953558120820 6.941 > 13 48 Li 0.66666666666667 0.89093134989317 0.87953558120820 6.941 > 13 49 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 19 50 Li 0.33333333333333 0.25000000000000 0.50000000000000 6.941 > 19 51 Li 0.66666666666667 0.25000000000000 0.50000000000000 6.941 > 19 52 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 19 53 Li 0.33333333333333 0.75000000000000 0.50000000000000 6.941 > 19 54 Li 0.66666666666667 0.75000000000000 0.50000000000000 6.941 > 19 55 Li 0.16666666666667 0.35906865010683 0.62046441879180 6.941 > 25 56 Li 0.50000000000000 0.35906865010683 0.62046441879180 6.941 > 25 57 Li 0.83333333333333 0.35906865010683 0.62046441879180 6.941 > 25 58 Li 0.16666666666667 0.85906865010683 0.62046441879180 6.941 > 25 59 Li 0.50000000000000 0.85906865010683 0.62046441879180 6.941 > 25 60 Li 0.83333333333333 0.85906865010683 0.62046441879180 6.941 > 25 61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 61 62 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 61 63 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 61 64 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 61 65 N 0.33333333333333 0.50000000000000 0.00000000000000 14.007 > 61 66 N 0.66666666666667 0.50000000000000 0.00000000000000 14.007 > 61 67 N 0.16666666666667 0.25000000000000 0.50000000000000 14.007 > 61 68 N 0.50000000000000 0.25000000000000 0.50000000000000 14.007 > 61 69 N 0.83333333333333 0.25000000000000 0.50000000000000 14.007 > 61 70 N 0.16666666666667 0.75000000000000 0.50000000000000 14.007 > 61 71 N 0.50000000000000 0.75000000000000 0.50000000000000 14.007 > 61 72 N 0.83333333333333 0.75000000000000 0.50000000000000 14.007 > 61 73 Br 0.00000000000000 0.00000000000000 0.32575796302264 79.904 > 73 74 Br 0.33333333333333 0.00000000000000 0.32575796302264 79.904 > 73 75 Br 0.66666666666667 0.00000000000000 0.32575796302264 79.904 > 73 76 Br 0.00000000000000 0.50000000000000 0.32575796302264 79.904 > 73 77 Br 0.33333333333333 0.50000000000000 0.32575796302264 79.904 > 73 78 Br 0.66666666666667 0.50000000000000 0.32575796302264 79.904 > 73 79 Br 0.16666666666667 0.25000000000000 0.17424203697736 79.904 > 79 80 Br 0.50000000000000 0.25000000000000 0.17424203697736 79.904 > 79 81 Br 0.83333333333333 0.25000000000000 0.17424203697736 79.904 > 79 82 Br 0.16666666666667 0.75000000000000 0.17424203697736 79.904 > 79 83 Br 0.50000000000000 0.75000000000000 0.17424203697736 79.904 > 79 84 Br 0.83333333333333 0.75000000000000 0.17424203697736 79.904 > 79 85 Br 0.16666666666667 0.25000000000000 0.82575796302264 79.904 > 73 86 Br 0.50000000000000 0.25000000000000 0.82575796302264 79.904 > 73 87 Br 0.83333333333333 0.25000000000000 0.82575796302264 79.904 > 73 88 Br 0.16666666666667 0.75000000000000 0.82575796302264 79.904 > 73 89 Br 0.50000000000000 0.75000000000000 0.82575796302264 79.904 > 73 90 Br 0.83333333333333 0.75000000000000 0.82575796302264 79.904 > 73 91 Br 0.00000000000000 0.00000000000000 0.67424203697736 79.904 > 79 92 Br 0.33333333333333 0.00000000000000 0.67424203697736 79.904 > 79 93 Br 0.66666666666667 0.00000000000000 0.67424203697736 79.904 > 79 94 Br 0.00000000000000 0.50000000000000 0.67424203697736 79.904 > 79 95 Br 0.33333333333333 0.50000000000000 0.67424203697736 79.904 > 79 96 Br 0.66666666666667 0.50000000000000 0.67424203697736 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9174407 0.0000000 0.0000000 0.0000000 3.9379138 0.0000000 0.0000000 0.0000000 3.8236375 -------------------------- Born effective charges -------------------------- 1 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 2 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 -0.0868398 0.0000000 -0.1414800 0.9660621 3 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 4 Li 1.0023182 0.0000000 0.0000000 0.0000000 0.7611436 0.0000000 0.0000000 0.0000000 0.6285747 5 Li 0.9692952 0.0000000 0.0000000 0.0000000 1.0105597 0.0868398 0.0000000 0.1414800 0.9660621 6 N -2.2830725 0.0000000 0.0000000 0.0000000 -2.1629453 0.0000000 0.0000000 0.0000000 -2.3219034 7 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 8 Br -1.2982133 0.0000000 0.0000000 0.0000000 -1.3202186 0.0000000 0.0000000 0.0000000 -1.0854599 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 4 208 ] Grid generation matrix: [ 0 13 13 ] [ 8 0 8 ] [ 4 4 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: 0.81, Number of G-points: 299, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/161) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 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 2.442 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 13.328 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 16.912 ( 0.000 0.000 0.000) 0.000 17.632 ( 0.000 0.000 0.000) 0.000 18.541 ( 0.000 0.000 0.000) 0.000 20.222 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/161) ======================= q-point: (-0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 -16.248 -12.222) 20.332 1.321 ( 0.000 -25.308 -4.472) 25.700 1.819 ( 0.000 -29.983 -10.777) 31.861 2.268 ( -0.000 5.044 2.729) 5.735 2.471 ( -0.000 5.663 6.621) 8.713 2.858 ( -0.000 4.599 2.367) 5.173 4.195 ( -0.000 7.780 -0.014) 7.780 4.325 ( -0.000 -4.460 9.505) 10.500 4.811 ( 0.000 -4.194 1.065) 4.327 5.003 ( 0.000 -1.581 -4.968) 5.213 7.328 ( 0.000 -1.942 -1.876) 2.700 7.361 ( 0.000 -12.080 9.362) 15.283 7.836 ( -0.000 2.480 1.930) 3.143 8.154 ( 0.000 -1.138 -0.922) 1.465 8.641 ( -0.000 9.929 12.346) 15.843 10.495 ( 0.000 10.071 -21.237) 23.504 10.910 ( -0.000 -0.746 0.949) 1.207 11.831 ( -0.000 -2.530 3.257) 4.124 13.129 ( -0.000 9.951 -4.794) 11.045 14.665 ( 0.000 -20.845 1.559) 20.903 16.836 ( -0.000 3.268 -0.797) 3.364 18.246 ( -0.000 -1.491 5.401) 5.603 19.467 ( -0.000 10.565 -6.175) 12.237 20.224 ( 0.000 -0.059 -0.025) 0.064 ======================= Grid point 2 (3/161) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 -0.000 -0.000) 0.000 2.001 ( 0.000 -0.000 -0.000) 0.000 2.104 ( -0.000 0.000 -0.000) 0.000 2.121 ( 0.000 -0.000 -0.000) 0.000 2.505 ( 0.000 -0.000 -0.000) 0.000 2.901 ( 0.000 -0.000 -0.000) 0.000 3.932 ( 0.000 -0.000 -0.000) 0.000 4.302 ( 0.000 -0.000 -0.000) 0.000 4.723 ( 0.000 -0.000 -0.000) 0.000 5.256 ( 0.000 -0.000 -0.000) 0.000 7.415 ( 0.000 -0.000 -0.000) 0.000 7.565 ( 0.000 -0.000 -0.000) 0.000 7.733 ( 0.000 -0.000 -0.000) 0.000 8.201 ( 0.000 -0.000 -0.000) 0.000 8.277 ( 0.000 -0.000 -0.000) 0.000 10.451 ( 0.000 -0.000 -0.000) 0.000 10.915 ( 0.000 -0.000 -0.000) 0.000 11.851 ( 0.000 -0.000 -0.000) 0.000 12.961 ( 0.000 -0.000 -0.000) 0.000 15.204 ( 0.000 -0.000 -0.000) 0.000 16.759 ( 0.000 -0.000 -0.000) 0.000 18.177 ( 0.000 -0.000 -0.000) 0.000 19.264 ( 0.000 -0.000 -0.000) 0.000 20.226 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 5 (4/161) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -8.111 4.879 3.803) 10.201 2.030 ( 5.708 -0.547 5.349) 7.842 2.183 ( -2.738 -0.654 -6.492) 7.076 2.457 ( -3.222 -4.978 -5.847) 8.327 3.021 ( 14.484 -0.303 -0.664) 14.502 3.291 ( 9.761 -4.385 1.243) 10.773 3.952 ( 8.704 10.193 -1.667) 13.506 4.317 ( 1.747 10.889 -2.015) 11.211 4.941 ( 13.204 -4.577 -8.445) 16.328 5.523 ( -13.090 9.975 -2.094) 16.590 5.938 ( -15.953 -4.668 15.049) 22.422 7.864 ( 4.038 13.722 2.210) 14.474 8.430 ( 17.068 -16.207 -6.600) 24.445 9.323 ( 9.836 6.709 4.105) 12.594 10.465 ( 10.503 -3.184 -1.007) 11.021 11.154 ( -8.361 -6.459 -9.013) 13.887 11.642 ( -3.503 16.869 3.530) 17.587 13.049 ( 7.915 -9.937 9.012) 15.576 14.068 ( -1.162 2.683 -0.847) 3.044 14.688 ( 36.584 -5.294 -1.007) 36.978 15.626 ( -8.198 -4.168 -2.900) 9.643 17.681 ( -1.394 2.258 0.072) 2.654 18.430 ( -8.595 -1.299 6.415) 10.804 19.946 ( -18.752 -0.978 -1.277) 18.821 ======================= Grid point 6 (5/161) ======================= q-point: (-0.13 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.381 -2.608 4.348) 5.255 1.817 ( -0.537 -7.103 7.700) 10.489 2.405 ( -2.055 2.463 -8.791) 9.358 2.569 ( -5.377 7.857 -4.057) 10.349 3.025 ( 14.745 8.478 0.142) 17.009 3.263 ( 9.974 1.948 1.217) 10.235 4.015 ( 9.903 -12.861 -3.470) 16.599 4.336 ( -1.324 -11.062 0.171) 11.142 5.108 ( 13.581 6.157 -5.669) 15.953 5.563 ( -13.953 -10.246 -1.545) 17.380 5.693 ( -14.237 1.268 6.836) 15.844 7.834 ( 5.552 -14.663 0.466) 15.686 8.478 ( 13.192 16.451 1.351) 21.130 9.234 ( 11.212 -4.147 3.464) 12.446 10.539 ( 7.292 6.195 -4.589) 10.612 11.342 ( -8.039 -0.507 -7.983) 11.341 11.569 ( -1.806 -14.054 3.143) 14.514 12.833 ( 11.926 9.020 9.554) 17.745 14.083 ( -1.664 -2.283 -0.518) 2.872 14.716 ( 32.448 5.379 -1.285) 32.916 15.694 ( -7.207 5.619 -2.947) 9.602 17.683 ( -1.695 -2.804 -0.274) 3.287 18.292 ( -3.625 0.039 5.611) 6.680 19.970 ( -19.895 1.144 -0.881) 19.947 ======================= Grid point 7 (6/161) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 4.492 -0.781 0.000) 4.559 2.135 ( 4.874 -1.253 0.000) 5.033 2.164 ( -11.583 8.252 -0.000) 14.222 2.388 ( -3.870 -0.877 0.000) 3.969 2.755 ( 18.250 -2.898 0.000) 18.479 3.285 ( 8.164 -1.922 0.000) 8.387 4.495 ( 5.857 -3.422 0.000) 6.783 4.710 ( 5.511 3.556 -0.000) 6.559 5.019 ( 2.010 -6.233 0.000) 6.549 5.545 ( -16.098 0.083 0.000) 16.098 6.139 ( -16.587 -8.576 0.000) 18.672 7.721 ( 13.447 12.919 -0.000) 18.647 8.721 ( 14.384 -19.562 0.000) 24.281 9.412 ( 10.080 -8.306 0.000) 13.062 10.235 ( -1.748 8.076 -0.000) 8.263 11.059 ( 9.345 14.336 -0.000) 17.113 12.280 ( -4.788 5.553 -0.000) 7.332 12.484 ( 9.698 -18.387 0.000) 20.788 14.180 ( -7.766 -1.393 0.000) 7.890 14.341 ( 40.049 10.126 -0.000) 41.309 15.449 ( -9.088 4.328 -0.000) 10.066 17.823 ( -9.807 -1.813 0.000) 9.973 18.273 ( 0.857 -2.060 0.000) 2.231 19.910 ( -17.698 1.592 0.000) 17.769 ======================= Grid point 8 (7/161) ======================= q-point: ( 0.37 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.008 -0.643 -4.889) 5.033 2.051 ( 0.854 3.397 -0.513) 3.540 2.137 ( -4.316 -3.369 -1.587) 5.700 2.471 ( -3.785 -1.181 5.724) 6.963 2.979 ( 16.917 -6.488 3.204) 18.400 3.279 ( 9.351 3.969 -0.124) 10.160 4.327 ( 4.818 7.928 -1.455) 9.391 4.625 ( 9.869 -1.213 -3.727) 10.619 4.861 ( -1.857 13.237 -1.720) 13.477 5.819 ( -16.403 -9.440 4.222) 19.390 6.040 ( -12.617 11.607 -2.038) 17.264 7.624 ( 16.371 -7.603 -3.325) 18.354 8.714 ( 6.643 8.122 15.363) 18.604 9.787 ( 8.602 7.199 1.458) 11.311 10.359 ( -4.066 -7.668 -20.149) 21.939 10.459 ( 16.761 2.345 2.140) 17.059 12.460 ( 4.223 -2.195 7.178) 8.612 12.616 ( -2.500 0.272 -0.180) 2.521 14.175 ( -7.552 1.955 -0.441) 7.814 14.316 ( 43.106 -8.987 -0.072) 44.033 15.422 ( -10.479 -2.575 -0.351) 10.797 17.797 ( -7.834 2.064 0.754) 8.136 18.401 ( -4.234 -3.318 0.853) 5.446 19.884 ( -16.662 -0.478 -0.332) 16.672 ======================= Grid point 9 (8/161) ======================= q-point: ( 0.24 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.761 7.733 -0.000) 12.453 1.637 ( -17.628 -0.125 0.000) 17.629 2.410 ( -1.784 -0.211 0.000) 1.796 2.598 ( 2.541 1.236 -0.000) 2.826 2.621 ( -4.442 -7.284 0.000) 8.532 2.900 ( -1.850 1.349 -0.000) 2.290 3.992 ( -2.372 11.266 -0.000) 11.513 4.608 ( -4.742 -4.580 0.000) 6.593 4.800 ( 2.467 13.646 -0.000) 13.867 6.394 ( 26.788 -0.707 -0.000) 26.797 6.420 ( -4.925 10.421 -0.000) 11.526 7.010 ( -26.907 -10.133 0.000) 28.752 7.762 ( -12.447 12.728 -0.000) 17.803 8.739 ( -16.409 5.914 -0.000) 17.443 10.289 ( -3.797 -4.499 0.000) 5.887 10.624 ( -30.029 -17.298 0.000) 34.655 11.743 ( -6.204 11.734 -0.000) 13.273 12.699 ( 10.529 -3.940 0.000) 11.242 13.065 ( -34.753 -20.141 0.000) 40.167 14.392 ( 7.148 11.215 -0.000) 13.299 16.050 ( 15.368 -5.035 0.000) 16.172 18.204 ( 15.492 13.506 -0.000) 20.553 18.280 ( 1.646 -2.827 0.000) 3.271 20.560 ( 7.951 -6.152 0.000) 10.053 ======================= Grid point 10 (9/161) ======================= q-point: (-0.01 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -13.873 -0.000 -15.403) 20.729 1.635 ( -15.010 -0.000 -2.768) 15.263 2.420 ( -20.035 0.000 3.143) 20.280 2.532 ( 0.972 0.000 6.545) 6.617 2.786 ( -12.703 -0.000 -2.409) 12.929 2.859 ( 2.673 0.000 3.141) 4.124 3.588 ( 5.369 0.000 2.489) 5.918 4.368 ( 4.896 0.000 4.114) 6.395 4.699 ( -7.620 0.000 4.207) 8.704 6.007 ( 14.339 0.000 1.060) 14.378 6.402 ( 15.024 0.000 0.460) 15.031 7.416 ( -42.979 -0.000 -3.094) 43.090 7.487 ( -5.022 -0.000 -2.950) 5.824 8.606 ( -15.833 -0.000 -1.615) 15.915 10.179 ( -13.598 0.000 14.714) 20.035 11.354 ( -17.125 -0.000 -19.595) 26.023 11.486 ( 4.825 -0.000 -1.583) 5.078 12.703 ( 0.326 0.000 8.607) 8.613 13.578 ( -19.847 0.000 5.277) 20.537 14.055 ( -0.189 0.000 1.531) 1.542 16.246 ( 15.065 0.000 3.863) 15.552 17.642 ( -0.171 -0.000 -0.357) 0.396 18.612 ( 11.157 -0.000 -18.462) 21.571 20.689 ( 11.759 0.000 4.302) 12.521 ======================= Grid point 11 (10/161) ======================= q-point: (-0.26 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -8.971 -1.362 -2.607) 9.441 1.846 ( -6.336 -3.096 -14.562) 16.180 2.226 ( -2.891 6.766 5.983) 9.484 2.490 ( -0.762 -3.674 1.777) 4.152 2.602 ( -5.513 3.685 1.511) 6.801 2.808 ( -2.639 -2.030 3.545) 4.864 3.948 ( -2.079 -12.218 1.433) 12.476 4.519 ( -1.777 2.785 3.244) 4.630 4.700 ( 3.017 -16.236 3.244) 16.829 6.314 ( -6.374 -7.551 2.530) 10.201 6.375 ( 8.628 -2.399 -0.475) 8.968 7.027 ( -12.636 12.007 2.985) 17.685 7.880 ( -10.736 -9.802 -6.882) 16.084 8.905 ( -20.199 -8.744 -4.701) 22.507 9.801 ( -19.692 3.730 7.362) 21.352 11.082 ( -1.015 18.243 0.099) 18.271 11.812 ( -7.278 -6.993 -4.936) 11.236 12.474 ( -23.662 4.974 -1.189) 24.208 13.138 ( -11.814 11.665 1.484) 16.669 14.366 ( 6.160 -12.529 2.052) 14.112 16.058 ( 16.872 3.856 -0.587) 17.317 17.975 ( 6.455 -8.762 0.171) 10.885 18.791 ( 13.620 7.658 -9.700) 18.391 20.462 ( 5.749 3.769 3.306) 7.628 ======================= Grid point 12 (11/161) ======================= q-point: ( 0.49 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -6.365 6.357 5.443) 10.514 1.774 ( 3.165 3.427 1.542) 4.913 2.184 ( -3.403 -3.648 -7.064) 8.648 2.399 ( -1.648 -2.360 5.008) 5.776 2.701 ( 2.517 0.752 -5.509) 6.103 2.891 ( -9.414 -2.006 1.238) 9.705 4.234 ( -4.462 -0.826 0.009) 4.537 4.431 ( 0.497 -1.601 0.418) 1.727 5.151 ( 2.854 -1.681 -0.479) 3.347 6.375 ( -44.937 -2.116 0.241) 44.988 6.449 ( 23.158 3.185 -1.184) 23.406 6.847 ( 15.896 -5.513 2.515) 17.012 8.179 ( -18.104 5.571 -6.666) 20.081 9.127 ( -22.207 5.082 3.728) 23.084 9.817 ( -21.626 -7.368 -3.298) 23.084 10.381 ( 0.197 1.458 8.005) 8.139 12.170 ( -7.602 2.950 -8.372) 11.687 12.329 ( -43.367 -2.138 -0.329) 43.421 12.736 ( 5.011 1.482 5.072) 7.282 14.674 ( 13.181 -1.194 1.506) 13.320 15.971 ( 17.791 0.538 0.000) 17.800 18.185 ( 5.128 2.794 -7.576) 9.565 18.577 ( 12.459 1.339 6.658) 14.190 20.374 ( 4.582 -1.372 -0.257) 4.790 ======================= Grid point 13 (12/161) ======================= q-point: ( 0.36 0.14 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 4.784 4.576 8.755) 10.976 1.891 ( 0.024 6.136 3.901) 7.271 2.097 ( -1.269 -4.439 -2.047) 5.051 2.382 ( 10.083 -1.138 -0.958) 10.192 2.576 ( 1.155 3.429 -6.225) 7.200 2.815 ( -0.100 0.611 1.558) 1.677 4.142 ( -2.454 5.192 -1.521) 5.940 4.515 ( -5.569 -1.486 -0.542) 5.789 5.066 ( -1.781 10.625 -1.442) 10.869 5.425 ( 51.582 -3.666 -1.267) 51.728 6.856 ( -18.799 3.978 -2.337) 19.357 7.196 ( -21.149 1.697 -2.636) 21.380 7.757 ( 13.624 2.162 4.351) 14.464 8.600 ( 25.769 5.529 2.355) 26.461 9.319 ( 24.470 -0.255 -6.289) 25.266 10.651 ( 1.635 -16.401 7.276) 18.017 11.567 ( 27.955 0.282 -2.624) 28.079 11.966 ( 8.093 -1.834 2.888) 8.786 12.940 ( -2.979 -5.032 -0.202) 5.852 14.811 ( -9.499 12.578 -2.296) 15.929 16.350 ( -17.665 -1.933 0.757) 17.787 18.181 ( -3.587 -1.019 4.183) 5.604 18.946 ( -14.016 -2.490 0.785) 14.257 20.404 ( 3.428 -2.490 -1.703) 4.566 ======================= Grid point 14 (13/161) ======================= q-point: ( 0.11 0.14 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 12.510 6.645 19.368) 23.995 1.266 ( 20.065 3.748 6.198) 21.332 2.050 ( 23.680 11.787 3.122) 26.635 2.503 ( 2.613 -3.568 -5.172) 6.805 2.589 ( 4.027 -2.117 -3.257) 5.596 2.889 ( -0.690 0.096 -4.440) 4.494 3.885 ( -12.182 9.076 -2.652) 15.421 4.563 ( -3.892 8.989 -3.306) 10.339 4.590 ( 1.069 -0.560 -0.176) 1.219 5.865 ( 45.240 -12.065 -5.889) 47.190 6.542 ( -12.713 15.751 -7.427) 21.561 7.169 ( -22.984 -1.597 9.816) 25.044 7.442 ( 5.986 4.605 3.630) 8.379 8.332 ( 16.716 3.334 0.977) 17.073 9.759 ( 24.051 -4.810 -20.068) 31.691 10.918 ( 12.302 -10.250 28.612) 32.788 11.574 ( 1.013 0.971 2.102) 2.527 12.401 ( 24.874 -10.483 -26.774) 38.019 13.255 ( -1.774 -11.617 5.120) 12.819 14.201 ( -1.973 12.966 -1.651) 13.219 16.467 ( -15.275 -4.879 -0.099) 16.036 17.891 ( -4.806 17.540 -6.694) 19.379 18.839 ( -16.051 -2.674 25.364) 30.135 20.745 ( -0.130 -7.924 -6.441) 10.212 ======================= Grid point 15 (14/161) ======================= q-point: (-0.14 0.14 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 16.169 -9.966 0.000) 18.993 1.198 ( 23.083 -3.509 0.000) 23.348 2.016 ( 26.506 -13.511 0.000) 29.751 2.553 ( 7.247 2.358 -0.000) 7.621 2.643 ( -1.579 3.188 -0.000) 3.557 2.937 ( -1.841 0.644 -0.000) 1.950 3.918 ( -13.806 -10.236 0.000) 17.186 4.571 ( 3.432 0.253 -0.000) 3.441 4.619 ( -2.221 -7.389 0.000) 7.716 5.936 ( 45.062 14.565 -0.000) 47.358 6.679 ( -4.931 -18.888 0.000) 19.521 6.997 ( -32.187 0.537 0.000) 32.191 7.403 ( 6.049 -4.589 0.000) 7.593 8.320 ( 15.581 -2.644 0.000) 15.804 10.241 ( 36.651 9.441 -0.000) 37.847 10.334 ( 1.487 4.803 -0.000) 5.028 11.551 ( 0.775 -1.570 0.000) 1.751 12.936 ( 27.100 27.327 -0.000) 38.487 13.009 ( -10.120 5.370 -0.000) 11.457 14.217 ( -2.265 -12.563 0.000) 12.766 16.474 ( -14.036 6.851 -0.000) 15.619 18.070 ( -14.478 -28.826 0.000) 32.257 18.415 ( -3.146 4.115 -0.000) 5.180 20.823 ( -2.210 9.685 -0.000) 9.934 ======================= Grid point 16 (15/161) ======================= q-point: (-0.39 0.14 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 4.941 -9.156 -3.406) 10.948 1.705 ( -1.929 -12.023 -9.570) 15.487 2.237 ( 1.340 6.163 7.353) 9.687 2.383 ( 7.167 3.618 -0.641) 8.054 2.684 ( 2.453 -6.360 3.444) 7.637 2.800 ( 3.279 2.792 0.008) 4.307 4.184 ( -5.893 -3.527 2.145) 7.195 4.509 ( -3.403 1.698 -0.910) 3.910 5.098 ( -1.861 -9.779 1.351) 10.046 5.450 ( 53.476 5.897 0.985) 53.809 6.921 ( -24.853 -0.629 3.290) 25.078 7.212 ( -18.381 -1.997 -1.160) 18.525 7.709 ( 13.908 -6.187 -0.305) 15.225 8.537 ( 22.948 -6.343 -2.912) 23.986 9.497 ( 26.016 6.940 9.787) 28.649 10.403 ( 4.647 7.733 -14.047) 16.695 11.618 ( 25.683 0.286 1.794) 25.747 12.031 ( 11.395 3.342 7.425) 14.005 12.875 ( -4.258 4.904 -5.563) 8.552 14.825 ( -10.042 -10.569 -0.664) 14.594 16.336 ( -17.644 1.268 -0.429) 17.694 18.185 ( -1.594 -0.266 3.841) 4.167 18.861 ( -16.653 -1.613 -6.194) 17.841 20.443 ( 3.566 4.447 1.645) 5.933 ======================= Grid point 17 (16/161) ======================= q-point: ( 0.48 -0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -4.849 -4.558 0.000) 6.655 1.900 ( 8.189 3.647 -0.000) 8.964 2.195 ( -3.637 -3.543 0.000) 5.077 2.364 ( 3.851 3.878 -0.000) 5.465 3.166 ( -9.197 3.403 -0.000) 9.807 3.419 ( -2.684 0.346 -0.000) 2.706 4.532 ( -1.271 -3.011 0.000) 3.268 4.774 ( -5.374 -1.330 0.000) 5.536 5.083 ( -4.857 -7.143 0.000) 8.638 5.328 ( 12.834 8.275 -0.000) 15.270 5.977 ( 6.217 -0.913 0.000) 6.284 7.741 ( -4.426 -1.128 0.000) 4.567 9.198 ( -4.829 2.603 -0.000) 5.486 9.759 ( -3.586 8.189 -0.000) 8.940 10.002 ( 2.453 -6.285 0.000) 6.747 10.983 ( -7.542 -7.587 0.000) 10.698 12.144 ( 5.163 4.732 -0.000) 7.003 12.845 ( -3.546 0.781 -0.000) 3.631 14.072 ( 3.192 -0.065 -0.000) 3.192 14.886 ( -22.146 0.668 0.000) 22.156 15.229 ( 7.477 -1.103 0.000) 7.558 17.693 ( 3.796 -0.045 -0.000) 3.796 18.323 ( 0.145 1.016 -0.000) 1.026 19.610 ( 8.539 -0.223 -0.000) 8.542 ======================= Grid point 18 (17/161) ======================= q-point: ( 0.23 -0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.213 3.631 -3.143) 4.807 1.971 ( 2.613 9.210 -6.346) 11.486 2.204 ( 2.267 -12.654 2.960) 13.192 2.379 ( 0.557 -1.340 6.494) 6.654 3.162 ( -12.706 -3.944 -3.009) 13.640 3.371 ( -2.163 0.618 0.939) 2.438 4.361 ( 0.148 9.471 3.946) 10.261 4.585 ( 1.135 12.648 -2.479) 12.939 5.092 ( 2.273 -6.790 -1.351) 7.286 5.488 ( -3.343 -5.182 1.726) 6.403 5.609 ( 8.023 14.339 0.491) 16.438 8.193 ( -0.314 -14.144 -2.476) 14.362 8.378 ( -6.382 16.667 5.771) 18.757 9.544 ( -7.849 8.297 -3.823) 12.044 10.454 ( -1.606 -8.485 -5.239) 10.100 11.052 ( 12.421 -3.557 6.514) 14.469 12.113 ( -4.607 25.885 1.780) 26.352 12.739 ( -7.821 -18.812 -4.469) 20.858 14.064 ( 2.196 0.444 0.042) 2.241 15.107 ( -17.295 -5.352 -0.864) 18.125 15.438 ( 5.033 -8.930 2.145) 10.473 17.676 ( 1.919 0.676 0.124) 2.039 18.285 ( -1.203 1.010 -1.382) 2.092 19.634 ( 9.603 -0.779 0.216) 9.637 ======================= Grid point 19 (18/161) ======================= q-point: (-0.02 -0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 6.127 -0.000 -1.464) 6.299 2.097 ( -2.702 -0.000 -10.299) 10.647 2.158 ( 2.144 0.000 10.086) 10.312 2.511 ( -0.177 0.000 3.238) 3.243 3.287 ( -9.776 0.000 3.165) 10.276 3.415 ( 0.792 -0.000 -1.746) 1.917 3.936 ( -1.368 -0.000 -0.095) 1.371 4.323 ( -6.556 -0.000 -0.087) 6.556 5.191 ( 7.353 0.000 0.968) 7.416 5.294 ( -14.985 0.000 11.260) 18.744 5.678 ( 15.274 -0.000 -14.721) 21.213 7.737 ( -0.854 -0.000 -0.601) 1.044 8.855 ( -5.237 0.000 3.084) 6.077 9.400 ( -4.412 -0.000 -1.125) 4.553 10.666 ( -5.266 0.000 0.454) 5.285 11.134 ( 3.097 0.000 0.127) 3.100 11.269 ( 5.516 0.000 1.098) 5.625 13.290 ( -3.578 -0.000 -3.325) 4.885 14.043 ( -0.162 0.000 0.358) 0.393 15.247 ( -11.910 -0.000 -1.761) 12.039 15.608 ( -1.261 0.000 3.169) 3.411 17.657 ( -0.039 -0.000 -0.077) 0.086 18.312 ( 3.443 -0.000 -2.333) 4.159 19.646 ( 9.565 0.000 0.359) 9.572 ======================= Grid point 20 (19/161) ======================= q-point: (-0.27 -0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.770 0.696 5.273) 5.374 1.925 ( -0.796 -6.977 2.617) 7.494 2.194 ( 0.696 7.696 1.615) 7.895 2.397 ( 2.094 -1.215 -7.897) 8.260 3.302 ( -1.829 4.201 0.076) 4.582 3.328 ( -4.271 -3.224 -1.542) 5.569 4.285 ( -6.861 -7.871 -0.963) 10.486 4.553 ( -1.579 -13.516 3.491) 14.048 4.915 ( -11.583 5.075 5.142) 13.652 5.576 ( 4.511 -14.647 0.486) 15.334 5.717 ( 15.642 9.871 -7.431) 19.933 8.110 ( -8.560 13.246 4.541) 16.412 8.453 ( 0.959 -18.311 -7.431) 19.785 9.646 ( 1.717 -9.193 -0.555) 9.369 10.483 ( 1.397 9.387 9.220) 13.232 10.791 ( -12.692 4.224 -1.571) 13.469 12.169 ( 0.947 -25.185 -3.195) 25.404 12.862 ( 4.075 19.620 -0.375) 20.042 14.058 ( 1.554 -0.683 0.195) 1.708 15.171 ( -19.592 6.369 -1.468) 20.654 15.344 ( 4.261 7.046 1.299) 8.336 17.675 ( 1.798 -0.603 -0.099) 1.899 18.344 ( 4.787 0.290 -0.791) 4.860 19.623 ( 8.456 0.614 0.179) 8.480 ======================= Grid point 21 (20/161) ======================= q-point: (-0.40 -0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 1.246 -7.559 -10.086) 12.666 1.866 ( -2.566 -10.341 -2.717) 10.995 2.119 ( 0.442 1.802 2.522) 3.131 2.209 ( -6.318 1.561 1.869) 6.771 2.520 ( -3.491 -3.810 3.877) 6.460 2.828 ( 0.934 -2.375 -4.991) 5.605 4.216 ( 3.168 -3.733 3.281) 5.894 4.450 ( -38.022 5.746 0.164) 38.454 4.670 ( 7.503 3.333 1.382) 8.325 5.126 ( 2.009 -10.608 1.297) 10.874 7.198 ( 15.846 -6.683 4.201) 17.704 7.512 ( -6.548 -0.514 -0.870) 6.625 7.693 ( 24.501 0.561 0.179) 24.508 8.089 ( -24.458 -3.255 -0.166) 24.674 8.801 ( -27.380 0.367 5.534) 27.936 10.629 ( -0.683 15.378 -11.577) 19.261 11.090 ( -17.842 0.443 1.785) 17.937 11.875 ( -2.446 0.000 -2.834) 3.744 12.989 ( 1.791 4.488 1.221) 4.984 14.962 ( 5.387 -15.460 3.258) 16.693 16.658 ( 12.168 2.217 -0.601) 12.383 18.234 ( 1.804 3.395 -6.240) 7.329 19.194 ( 9.902 3.715 2.085) 10.780 20.297 ( -6.022 1.295 0.914) 6.227 ======================= Grid point 22 (21/161) ======================= q-point: ( 0.35 -0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.616 13.699 3.912) 14.260 1.759 ( 3.046 17.780 5.766) 18.938 2.191 ( -3.469 -6.935 -2.167) 8.051 2.280 ( -2.261 -1.542 -4.844) 5.563 2.564 ( -7.987 11.646 -0.415) 14.128 2.751 ( -1.630 -4.420 1.810) 5.047 4.330 ( 5.514 0.925 -7.138) 9.067 4.455 ( -38.092 -5.617 -0.291) 38.505 4.648 ( 7.548 -4.001 3.830) 9.362 5.143 ( 1.578 9.598 -0.310) 9.732 7.315 ( 13.516 2.920 -6.225) 15.165 7.484 ( -6.029 1.797 1.537) 6.476 7.684 ( 27.742 -0.518 1.340) 27.780 8.081 ( -21.688 3.017 0.421) 21.901 8.937 ( -29.658 -6.921 -6.285) 31.096 10.349 ( -1.143 -3.644 12.290) 12.869 11.133 ( -19.794 -2.598 -1.832) 20.048 11.906 ( -3.218 1.634 -4.556) 5.812 12.943 ( 2.382 -5.284 4.668) 7.442 14.986 ( 5.797 12.682 0.663) 13.960 16.646 ( 12.335 -1.596 0.388) 12.444 18.206 ( 0.646 -0.950 -2.674) 2.910 19.170 ( 13.201 -1.879 3.430) 13.768 20.320 ( -7.505 -2.631 -1.016) 8.018 ======================= Grid point 23 (22/161) ======================= q-point: ( 0.10 -0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -12.241 17.238 -0.000) 21.142 0.778 ( -16.762 17.105 -0.000) 23.949 1.389 ( -34.731 26.525 -0.000) 43.702 2.442 ( -3.860 -3.275 0.000) 5.062 2.673 ( 1.337 -4.117 0.000) 4.329 2.959 ( 0.511 -1.307 0.000) 1.404 4.245 ( 16.623 15.292 -0.000) 22.587 4.506 ( -2.197 -0.111 0.000) 2.200 4.673 ( 2.098 8.016 -0.000) 8.286 5.018 ( -36.151 -16.928 0.000) 39.918 6.979 ( 21.240 23.139 -0.000) 31.409 7.304 ( -3.412 2.130 -0.000) 4.022 7.665 ( 33.340 -0.260 -0.000) 33.341 8.038 ( -11.836 0.044 0.000) 11.836 9.510 ( -35.498 -8.139 0.000) 36.420 10.317 ( -0.115 -5.235 0.000) 5.236 11.454 ( -14.097 -10.028 0.000) 17.300 12.291 ( -37.667 -31.100 0.000) 48.847 13.164 ( 5.283 -7.564 0.000) 9.226 14.256 ( 1.566 15.621 -0.000) 15.700 16.742 ( 12.222 -3.063 0.000) 12.600 18.465 ( 1.730 -5.028 0.000) 5.318 18.538 ( 37.048 38.979 -0.000) 53.776 20.721 ( -15.492 -18.214 0.000) 23.911 ======================= Grid point 24 (23/161) ======================= q-point: (-0.15 -0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -14.918 -9.906 -12.743) 21.979 0.990 ( -10.016 -13.432 -19.778) 25.922 1.508 ( -27.813 -23.184 -11.622) 38.028 2.408 ( -4.808 3.220 3.295) 6.659 2.579 ( 0.938 4.671 6.706) 8.226 2.897 ( 0.491 -0.154 5.649) 5.672 4.111 ( 8.321 -9.965 6.652) 14.587 4.573 ( -8.652 0.155 -2.780) 9.089 4.623 ( 1.386 -9.179 4.226) 10.199 5.081 ( -16.638 13.764 -1.932) 21.680 6.840 ( 15.483 -18.957 7.870) 25.711 7.341 ( -3.975 -2.433 -3.100) 5.597 7.737 ( 29.961 1.596 -3.555) 30.213 8.027 ( -12.892 -0.410 1.042) 12.940 9.210 ( -28.885 4.620 18.580) 34.654 10.750 ( -4.998 9.276 -29.829) 31.635 11.396 ( -25.458 12.125 7.345) 29.139 11.865 ( -18.313 -1.322 16.540) 24.712 13.341 ( 4.575 13.371 -4.839) 14.938 14.235 ( 1.319 -15.921 2.209) 16.127 16.755 ( 12.763 2.871 -1.343) 13.150 17.983 ( 4.052 -20.331 11.825) 23.866 19.270 ( 28.855 4.664 -28.617) 40.906 20.611 ( -15.048 12.152 7.954) 20.914 ======================= Grid point 25 (24/161) ======================= q-point: (-0.28 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 7.933 -3.691 0.000) 8.749 1.947 ( 9.983 -2.699 0.000) 10.342 2.470 ( 3.793 5.287 -0.000) 6.507 2.523 ( 0.275 1.937 -0.000) 1.956 2.574 ( -7.723 9.775 -0.000) 12.458 3.040 ( 10.727 -2.514 0.000) 11.017 4.139 ( 10.310 -12.893 0.000) 16.508 4.660 ( -1.465 -6.748 0.000) 6.905 4.827 ( 7.090 -0.661 -0.000) 7.121 5.924 ( -20.558 1.148 0.000) 20.590 6.207 ( -16.261 -16.505 0.000) 23.169 7.669 ( 28.651 19.073 -0.000) 34.419 8.016 ( 12.845 -18.070 0.000) 22.171 9.035 ( 13.328 -5.822 0.000) 14.544 10.367 ( 3.593 6.060 -0.000) 7.045 11.128 ( 19.066 16.834 -0.000) 25.434 11.872 ( 7.013 -19.094 0.000) 20.342 12.505 ( -7.385 4.490 -0.000) 8.643 13.803 ( 39.153 15.174 -0.000) 41.991 14.255 ( -6.529 -6.335 0.000) 9.097 15.774 ( -12.200 6.404 -0.000) 13.779 17.941 ( -11.044 -8.334 0.000) 13.836 18.251 ( -1.142 0.577 -0.000) 1.280 20.313 ( -16.350 3.564 -0.000) 16.734 ======================= Grid point 26 (25/161) ======================= q-point: (-0.53 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -1.051 0.361 -3.288) 3.470 1.942 ( 8.980 -3.525 -2.994) 10.101 2.238 ( -0.794 4.457 2.221) 5.043 2.438 ( 4.039 -0.612 0.591) 4.128 2.630 ( -0.597 -4.869 2.757) 5.627 3.120 ( 11.658 0.915 -0.263) 11.696 4.342 ( 5.519 2.184 0.933) 6.009 4.488 ( 6.315 2.821 -1.617) 7.103 5.092 ( -2.878 2.350 0.380) 3.735 6.013 ( -20.240 -5.531 0.058) 20.982 6.521 ( -16.609 4.958 -1.465) 17.395 7.123 ( 29.492 2.328 -0.230) 29.584 8.511 ( 14.616 -5.701 11.073) 19.203 9.516 ( 16.916 -7.206 -5.823) 19.287 10.151 ( 9.547 -0.903 0.644) 9.612 10.445 ( 8.902 13.317 -7.855) 17.841 12.300 ( 3.507 -4.704 8.873) 10.637 12.654 ( -1.621 -2.593 -4.842) 5.727 13.265 ( 49.389 1.744 0.172) 49.420 14.414 ( -12.446 0.473 -0.775) 12.479 15.645 ( -14.629 -0.083 -0.068) 14.630 18.027 ( -10.327 0.108 3.997) 11.075 18.401 ( -5.137 -3.276 -3.536) 7.045 20.195 ( -13.151 0.950 0.131) 13.186 ======================= Grid point 27 (26/161) ======================= q-point: ( 0.22 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 4.169 -2.881 -0.149) 5.070 1.942 ( 1.927 3.042 5.421) 6.508 2.285 ( -0.040 -0.426 -5.920) 5.935 2.431 ( -3.809 -4.417 2.556) 6.368 2.713 ( 8.948 -3.344 2.943) 9.996 2.990 ( 13.148 2.248 -2.714) 13.612 4.051 ( 7.045 12.762 -2.713) 14.828 4.594 ( 3.141 3.458 -3.440) 5.801 4.668 ( 2.214 8.141 -4.650) 9.633 6.046 ( -15.096 9.253 -0.580) 17.716 6.185 ( -15.909 1.402 6.014) 17.066 7.570 ( 28.544 -16.104 -7.606) 33.645 8.082 ( 9.261 12.838 7.029) 17.320 9.259 ( 15.036 9.640 6.324) 18.948 10.140 ( 14.591 -3.518 -3.942) 15.519 11.073 ( -2.246 -13.940 -10.792) 17.772 11.942 ( 6.146 12.625 6.450) 15.453 12.717 ( 4.087 -7.174 7.863) 11.402 13.700 ( 40.186 -12.268 -3.274) 42.144 14.243 ( -6.000 7.224 -1.099) 9.454 15.752 ( -13.703 -4.445 -0.537) 14.416 17.847 ( -6.240 6.093 -0.326) 8.727 18.555 ( -9.954 -4.727 7.596) 13.384 20.256 ( -14.559 -2.441 -2.015) 14.899 ======================= Grid point 28 (27/161) ======================= q-point: (-0.03 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 9.766 0.000 12.391) 15.777 1.786 ( -0.289 0.000 2.194) 2.213 2.476 ( -2.393 -0.000 -8.483) 8.814 2.770 ( -5.589 -0.000 -4.515) 7.185 2.803 ( 17.512 -0.000 -5.466) 18.345 3.069 ( 14.256 0.000 3.909) 14.783 3.616 ( 8.211 -0.000 -1.101) 8.284 4.272 ( -4.468 -0.000 -2.774) 5.259 4.898 ( 12.274 -0.000 -6.169) 13.737 5.724 ( -14.144 -0.000 -1.297) 14.204 6.038 ( -18.218 0.000 7.515) 19.707 7.585 ( 4.695 0.000 2.181) 5.177 8.221 ( 32.909 0.000 -0.644) 32.915 8.913 ( 14.879 0.000 2.242) 15.047 10.407 ( 10.526 -0.000 -8.739) 13.681 11.373 ( -6.474 0.000 0.672) 6.509 11.586 ( 3.396 0.000 3.423) 4.822 12.717 ( 5.561 0.000 7.360) 9.224 14.058 ( 0.050 -0.000 -1.164) 1.166 14.117 ( 32.302 -0.000 -4.686) 32.640 15.963 ( -12.842 -0.000 -3.804) 13.393 17.646 ( 0.232 0.000 0.261) 0.349 18.420 ( -8.205 0.000 11.285) 13.953 20.384 ( -18.599 -0.000 -2.150) 18.723 ======================= Grid point 29 (28/161) ======================= q-point: (-0.16 -0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.859 -1.824 -0.468) 4.294 1.894 ( -5.001 0.635 -11.025) 12.123 2.257 ( 3.748 -1.280 7.342) 8.343 2.560 ( 5.960 5.702 3.325) 8.893 2.734 ( -12.344 -1.397 2.508) 12.674 3.033 ( -14.667 6.253 -0.459) 15.951 3.767 ( -8.550 -13.166 1.728) 15.793 4.329 ( 2.260 -11.556 3.376) 12.250 4.711 ( -9.574 3.030 6.610) 12.022 5.799 ( 14.353 -9.997 2.741) 17.705 6.246 ( 14.536 3.659 -13.587) 20.231 7.749 ( -9.251 -6.730 -0.356) 11.446 7.967 ( -27.424 9.859 5.047) 29.576 9.070 ( -15.291 -7.953 -4.066) 17.709 10.223 ( -14.088 3.628 3.662) 15.001 11.309 ( 6.727 7.989 6.845) 12.488 11.699 ( 1.594 -9.153 -4.583) 10.360 12.869 ( -10.343 6.103 -10.883) 16.207 13.911 ( -36.643 7.424 4.781) 37.691 14.099 ( 0.555 -5.849 1.676) 6.109 15.845 ( 13.373 3.880 1.740) 14.033 17.717 ( 2.195 -5.469 0.052) 5.893 18.648 ( 13.198 3.627 -10.917) 17.508 20.304 ( 15.844 1.825 2.795) 16.192 ======================= Grid point 30 (29/161) ======================= q-point: (-0.41 -0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.166 -0.006 4.571) 5.058 2.037 ( -0.883 4.440 1.292) 4.708 2.179 ( -1.272 -0.823 -1.773) 2.332 2.474 ( -5.535 2.764 -2.797) 6.790 2.716 ( -4.561 3.252 -3.587) 6.652 3.043 ( -13.569 -6.076 1.414) 14.934 4.230 ( -4.964 -8.503 1.064) 9.903 4.469 ( -5.288 1.271 2.633) 6.042 4.914 ( 3.297 -13.470 1.383) 13.937 6.161 ( 17.762 6.594 -4.936) 19.579 6.319 ( 14.610 -11.341 3.455) 18.815 7.177 ( -28.837 6.579 3.999) 29.847 8.515 ( -13.148 -6.156 -12.479) 19.144 9.531 ( -16.913 -5.450 -0.279) 17.771 10.096 ( -19.188 -3.805 -0.217) 19.563 10.471 ( 6.295 13.568 13.705) 20.286 12.305 ( -10.101 -7.088 -7.037) 14.205 12.682 ( 2.147 5.379 -0.865) 5.856 13.397 ( -45.780 11.244 1.091) 47.153 14.354 ( 10.016 -5.108 1.063) 11.294 15.674 ( 14.889 2.588 0.006) 15.112 17.981 ( 10.169 -4.339 -2.411) 11.316 18.510 ( 6.883 7.065 -0.305) 9.868 20.193 ( 13.033 0.678 0.607) 13.065 ======================= Grid point 31 (30/161) ======================= q-point: ( 0.34 -0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -4.603 3.148 -0.000) 5.577 1.926 ( -14.871 -2.323 0.000) 15.051 2.374 ( 8.174 -8.623 0.000) 11.882 2.474 ( -8.282 -0.514 0.000) 8.297 2.519 ( 7.754 5.570 -0.000) 9.548 3.098 ( -9.983 2.498 -0.000) 10.291 4.336 ( -9.130 5.399 -0.000) 10.607 4.582 ( -5.997 -6.951 0.000) 9.180 5.023 ( 1.785 9.667 -0.000) 9.831 5.919 ( 21.333 1.361 -0.000) 21.376 6.488 ( 17.358 8.360 -0.000) 19.266 7.306 ( -28.677 -14.206 0.000) 32.003 8.399 ( -17.552 17.240 -0.000) 24.602 9.189 ( -12.821 9.249 -0.000) 15.809 10.244 ( -0.675 -5.350 0.000) 5.392 10.736 ( -21.779 -19.945 0.000) 29.532 12.266 ( -11.817 17.228 -0.000) 20.891 12.442 ( 10.039 -0.764 -0.000) 10.068 13.477 ( -44.427 -14.773 0.000) 46.819 14.367 ( 10.753 3.898 -0.000) 11.438 15.674 ( 13.533 -3.085 0.000) 13.880 18.070 ( 14.729 3.695 -0.000) 15.186 18.262 ( -0.378 1.921 -0.000) 1.958 20.243 ( 14.357 -2.932 0.000) 14.654 ======================= Grid point 32 (31/161) ======================= q-point: ( 0.09 -0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -8.534 1.481 -11.536) 14.426 1.850 ( -2.372 5.289 -1.538) 5.997 2.459 ( 3.063 -1.493 8.524) 9.180 2.637 ( -3.123 -10.349 3.752) 11.442 2.767 ( -5.753 -4.433 0.244) 7.267 3.018 ( -13.062 -1.653 -0.870) 13.195 3.810 ( -9.060 14.436 1.864) 17.145 4.394 ( 3.956 10.848 2.359) 11.785 4.853 ( -11.306 -4.050 5.649) 13.272 5.854 ( 14.863 11.323 2.130) 18.806 6.023 ( 18.349 -0.987 -6.841) 19.607 7.709 ( -6.869 11.186 -1.787) 13.248 8.042 ( -31.100 -15.254 1.042) 34.655 8.978 ( -14.509 5.251 -3.789) 15.889 10.365 ( -9.981 -3.755 8.290) 13.507 11.422 ( -1.101 -3.478 2.794) 4.595 11.572 ( -2.453 6.224 -6.195) 9.118 12.669 ( -3.088 -4.223 -6.671) 8.478 14.015 ( -32.824 -8.342 4.309) 34.140 14.126 ( 0.120 4.921 0.663) 4.967 15.893 ( 12.340 -5.750 2.452) 13.833 17.730 ( 2.974 6.958 1.138) 7.652 18.403 ( 7.351 -1.458 -10.559) 12.948 20.358 ( 17.717 -2.327 1.966) 17.977 ======================= Grid point 33 (32/161) ======================= q-point: (-0.04 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 20.285 0.000 0.000) 20.285 0.607 ( 29.923 0.000 0.000) 29.923 1.041 ( 47.564 0.000 0.000) 47.564 2.477 ( 3.456 0.000 0.000) 3.456 2.719 ( -1.538 -0.000 -0.000) 1.538 2.968 ( -0.889 -0.000 -0.000) 0.889 3.944 ( -6.185 -0.000 -0.000) 6.185 4.510 ( 2.845 0.000 0.000) 2.845 4.585 ( -2.426 -0.000 -0.000) 2.426 5.319 ( 36.023 0.000 0.000) 36.023 6.536 ( -9.976 -0.000 -0.000) 9.976 7.281 ( 2.584 0.000 0.000) 2.584 7.668 ( -33.191 -0.000 -0.000) 33.191 8.035 ( 10.316 0.000 0.000) 10.316 9.599 ( 35.877 0.000 0.000) 35.877 10.383 ( 0.116 0.000 0.000) 0.116 11.567 ( -0.973 -0.000 -0.000) 0.973 13.137 ( 5.405 0.000 0.000) 5.405 13.261 ( -6.630 -0.000 -0.000) 6.630 14.070 ( 0.064 0.000 0.000) 0.064 16.828 ( -8.182 -0.000 -0.000) 8.182 17.633 ( 0.057 0.000 0.000) 0.057 18.520 ( -2.061 -0.000 -0.000) 2.061 21.041 ( -2.820 -0.000 -0.000) 2.820 ======================= Grid point 34 (33/161) ======================= q-point: (-0.29 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 4.722 -14.470 -9.342) 17.860 1.354 ( 2.912 -19.737 -11.083) 22.823 2.028 ( 16.430 -23.614 -4.107) 29.059 2.319 ( 4.535 5.221 2.612) 7.392 2.479 ( 1.420 4.036 5.454) 6.932 2.860 ( 0.292 3.927 2.858) 4.866 4.269 ( -6.613 -5.031 8.939) 12.204 4.552 ( 20.784 2.486 -0.937) 20.953 4.774 ( 8.210 5.272 -1.092) 9.818 4.912 ( -3.881 -7.922 -1.170) 8.899 7.168 ( -14.141 -11.419 9.514) 20.516 7.413 ( 5.602 -4.180 -2.704) 7.494 7.704 ( -29.802 1.376 -2.193) 29.915 8.038 ( 17.041 -0.958 0.178) 17.069 9.084 ( 29.354 6.908 13.603) 33.082 10.522 ( 3.472 11.072 -23.004) 25.765 11.213 ( 24.303 5.636 4.092) 25.281 11.883 ( 6.366 -0.726 6.065) 8.822 13.098 ( -2.968 9.494 -5.167) 11.209 14.627 ( -3.710 -19.708 1.332) 20.098 16.695 ( -13.017 2.795 -0.916) 13.345 18.223 ( -2.295 -2.668 5.854) 6.830 19.196 ( -20.168 1.735 -11.392) 23.228 20.411 ( 12.105 6.569 2.980) 14.091 ======================= Grid point 35 (34/161) ======================= q-point: (-0.54 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -1.279 0.000 0.000) 1.279 2.010 ( 0.361 0.000 0.000) 0.361 2.073 ( -3.072 -0.000 0.000) 3.072 2.186 ( 6.893 -0.000 -0.000) 6.893 2.552 ( 3.764 0.000 0.000) 3.764 2.864 ( -2.718 0.000 0.000) 2.718 4.261 ( -3.660 0.000 0.000) 3.660 4.379 ( 40.645 -0.000 0.000) 40.645 4.634 ( -7.297 0.000 0.000) 7.297 5.246 ( -0.904 0.000 0.000) 0.904 7.266 ( -17.432 0.000 0.000) 17.432 7.515 ( 9.671 -0.000 0.000) 9.671 7.688 ( -25.994 0.000 0.000) 25.994 8.132 ( 25.938 0.000 0.000) 25.938 8.802 ( 27.571 0.000 0.000) 27.571 10.451 ( 0.062 0.000 0.000) 0.062 11.087 ( 16.964 0.000 0.000) 16.964 11.874 ( 2.305 0.000 0.000) 2.305 12.942 ( -1.895 0.000 0.000) 1.895 15.137 ( -6.631 0.000 0.000) 6.631 16.634 ( -11.918 0.000 0.000) 11.918 18.170 ( -0.657 -0.000 0.000) 0.657 19.171 ( -8.988 0.000 0.000) 8.988 20.284 ( 5.056 0.000 0.000) 5.056 ======================= Grid point 38 (35/161) ======================= q-point: ( 0.08 0.42 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -4.638 8.686 1.163) 9.915 2.112 ( 2.456 1.286 6.923) 7.457 2.151 ( -0.928 -0.715 -7.044) 7.141 2.418 ( -0.989 -7.962 -2.548) 8.418 3.264 ( 8.870 -1.403 -0.203) 8.983 3.386 ( 0.005 -2.380 0.602) 2.455 4.065 ( 2.396 10.556 -0.794) 10.853 4.397 ( 4.346 6.902 -0.554) 8.175 5.213 ( 12.667 -6.999 -8.945) 17.013 5.311 ( -6.742 10.669 -0.865) 12.650 5.632 ( -13.502 -3.723 11.623) 18.201 7.918 ( 1.404 15.634 0.862) 15.721 8.647 ( 5.193 -17.397 -2.596) 18.340 9.455 ( 3.386 5.071 1.890) 6.384 10.633 ( 5.594 -2.823 0.737) 6.309 11.006 ( -5.333 -6.789 -5.142) 10.049 11.586 ( -1.692 22.723 1.633) 22.845 13.166 ( 3.293 -11.582 3.286) 12.482 14.049 ( -0.570 0.560 -0.297) 0.853 15.220 ( 13.399 -2.582 1.802) 13.764 15.541 ( -0.011 -6.040 -3.021) 6.753 17.662 ( -0.482 0.484 0.044) 0.684 18.314 ( -3.007 0.146 2.103) 3.673 19.641 ( -9.408 -0.487 -0.342) 9.426 ======================= Grid point 39 (36/161) ======================= q-point: (-0.17 0.42 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -2.471 -9.325 0.062) 9.647 1.858 ( 2.167 -1.764 10.448) 10.816 2.376 ( -1.071 0.636 -8.070) 8.165 2.456 ( -5.743 8.434 -1.020) 10.254 3.276 ( 9.360 5.902 -0.911) 11.103 3.371 ( 0.658 0.572 0.811) 1.191 4.130 ( 1.159 -10.806 -4.917) 11.929 4.361 ( 2.670 -8.020 3.670) 9.215 5.241 ( -6.127 6.298 5.548) 10.392 5.328 ( -8.371 -10.583 -0.643) 13.509 5.599 ( 10.443 4.642 -7.149) 13.480 7.924 ( 3.325 -17.218 -1.241) 17.580 8.598 ( -0.247 15.490 5.678) 16.500 9.419 ( 7.048 -3.851 1.253) 8.129 10.647 ( 3.697 9.775 -1.336) 10.536 11.126 ( -12.460 2.750 -5.289) 13.812 11.567 ( 1.911 -24.079 0.109) 24.155 13.065 ( 9.899 11.231 5.156) 15.834 14.055 ( -1.107 -0.431 -0.175) 1.200 15.189 ( 13.305 2.572 1.014) 13.589 15.612 ( -2.471 6.594 -3.017) 7.661 17.662 ( -0.480 -0.579 -0.013) 0.752 18.267 ( 1.297 -0.616 1.910) 2.390 19.648 ( -10.107 0.515 -0.248) 10.123 ======================= Grid point 40 (37/161) ======================= q-point: (-0.42 0.42 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.603 -2.229 0.000) 2.309 1.984 ( -3.886 10.333 -0.000) 11.039 2.137 ( -2.843 -8.145 0.000) 8.627 2.385 ( 2.701 4.403 -0.000) 5.165 3.099 ( 13.836 -1.976 0.000) 13.976 3.403 ( 3.430 -1.007 0.000) 3.575 4.536 ( -2.202 -2.750 0.000) 3.523 4.768 ( 0.705 -4.717 0.000) 4.770 5.046 ( -4.696 -4.641 0.000) 6.602 5.352 ( 1.344 7.468 -0.000) 7.588 5.881 ( -7.993 -9.637 0.000) 12.521 7.868 ( 2.004 10.790 -0.000) 10.975 8.951 ( 8.374 -19.583 0.000) 21.298 9.606 ( 9.690 -6.225 0.000) 11.517 10.171 ( -4.728 9.412 -0.000) 10.533 11.073 ( -7.332 1.942 -0.000) 7.585 12.290 ( 5.323 16.193 -0.000) 17.046 12.632 ( 4.833 -18.318 0.000) 18.944 14.071 ( -2.994 -0.188 0.000) 3.000 14.965 ( 21.013 6.668 -0.000) 22.045 15.296 ( -7.634 5.634 -0.000) 9.487 17.690 ( -3.438 -0.391 0.000) 3.460 18.297 ( 1.615 -1.353 0.000) 2.107 19.620 ( -9.139 0.687 0.000) 9.165 ======================= Grid point 41 (38/161) ======================= q-point: ( 0.33 0.42 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 4.724 -0.801 -4.958) 6.895 2.016 ( -5.269 -3.712 0.823) 6.497 2.100 ( 2.071 3.731 -2.353) 4.873 2.389 ( -3.931 -2.124 5.816) 7.335 3.219 ( 4.608 -3.542 0.728) 5.858 3.399 ( 2.788 2.880 0.746) 4.077 4.426 ( 5.070 5.515 0.015) 7.491 4.797 ( 3.151 3.233 -4.082) 6.087 4.885 ( 7.772 7.738 -1.115) 11.024 5.520 ( -13.059 -8.819 2.466) 15.950 5.854 ( -5.031 10.606 -0.483) 11.749 7.846 ( 6.332 -9.514 -2.379) 11.673 8.778 ( -0.096 9.840 15.978) 18.765 9.862 ( -1.044 10.127 -1.137) 10.244 10.304 ( -1.156 -7.475 -20.260) 21.626 10.773 ( 14.269 3.545 5.473) 15.688 12.425 ( -5.549 -20.067 1.167) 20.852 12.627 ( 1.333 16.860 2.844) 17.150 14.069 ( -2.781 0.378 -0.141) 2.810 14.995 ( 23.034 -8.672 0.586) 24.620 15.246 ( -8.012 -2.504 -0.563) 8.413 17.686 ( -2.978 0.398 0.140) 3.007 18.337 ( -2.294 -0.414 0.337) 2.356 19.612 ( -8.350 -0.369 -0.084) 8.359 ======================= Grid point 42 (39/161) ======================= q-point: ( 0.20 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -9.494 13.556 -0.000) 16.550 1.338 ( -11.188 9.634 -0.000) 14.765 2.318 ( -10.334 11.571 -0.000) 15.514 2.476 ( -7.897 -5.029 0.000) 9.362 2.578 ( -2.563 -0.680 0.000) 2.651 2.900 ( 0.136 -3.115 0.000) 3.118 4.110 ( 14.217 7.182 -0.000) 15.928 4.535 ( -2.391 -2.151 0.000) 3.216 4.856 ( 2.684 13.324 -0.000) 13.592 5.663 ( -53.701 -11.531 0.000) 54.925 6.982 ( 31.905 -0.902 -0.000) 31.918 7.026 ( 14.071 13.152 -0.000) 19.261 7.536 ( -9.894 7.799 -0.000) 12.599 8.390 ( -18.341 4.129 -0.000) 18.800 9.978 ( -34.362 -14.937 0.000) 37.468 10.229 ( -2.118 -4.227 0.000) 4.728 11.598 ( -9.855 2.706 -0.000) 10.219 12.426 ( -29.048 -19.289 0.000) 34.869 12.885 ( 7.753 -5.802 0.000) 9.684 14.530 ( 6.428 15.745 -0.000) 17.006 16.374 ( 16.794 -3.132 0.000) 17.084 18.312 ( 1.470 -4.894 0.000) 5.110 18.560 ( 20.548 16.501 -0.000) 26.353 20.615 ( -2.703 -9.079 0.000) 9.473 ======================= Grid point 43 (40/161) ======================= q-point: (-0.05 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -13.386 -0.000 -21.298) 25.155 1.240 ( -23.359 -0.000 -6.070) 24.135 1.910 ( -30.963 -0.000 -5.216) 31.400 2.545 ( -2.933 0.000 3.512) 4.576 2.614 ( -2.305 0.000 4.497) 5.053 2.882 ( 0.261 0.000 5.367) 5.374 3.767 ( 10.641 0.000 1.137) 10.701 4.457 ( 3.963 0.000 5.031) 6.405 4.603 ( -1.933 -0.000 -0.348) 1.964 6.066 ( -46.774 0.000 12.930) 48.528 6.292 ( 14.250 0.000 0.270) 14.252 7.191 ( 21.857 -0.000 -11.723) 24.802 7.391 ( -4.459 -0.000 -3.392) 5.603 8.293 ( -15.312 -0.000 -0.245) 15.314 9.814 ( -23.904 0.000 21.097) 31.882 11.033 ( -13.082 -0.000 -30.732) 33.400 11.563 ( 2.872 -0.000 -2.501) 3.808 12.529 ( -20.771 0.000 32.570) 38.630 13.410 ( 2.381 -0.000 -0.524) 2.438 14.051 ( -0.205 0.000 1.806) 1.817 16.542 ( 14.275 0.000 2.689) 14.526 17.639 ( -0.093 -0.000 -0.439) 0.449 18.875 ( 16.095 -0.000 -28.287) 32.545 20.842 ( 3.399 0.000 8.199) 8.876 ======================= Grid point 44 (41/161) ======================= q-point: (-0.30 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -10.607 -4.673 -9.738) 15.138 1.746 ( -4.500 -7.299 -14.338) 16.706 2.182 ( -2.841 2.830 5.428) 6.749 2.366 ( -7.859 -3.354 2.003) 8.776 2.511 ( -4.671 -0.789 3.452) 5.861 2.804 ( -0.335 -0.828 1.747) 1.962 3.995 ( 6.098 -8.283 3.047) 10.727 4.553 ( 5.293 1.911 0.799) 5.683 4.767 ( 3.715 -16.160 3.320) 16.911 5.553 ( -50.203 7.891 3.265) 50.924 6.679 ( 16.107 -11.930 6.034) 20.933 7.223 ( 20.972 3.792 -1.268) 21.350 7.671 ( -9.687 -5.584 -6.157) 12.765 8.472 ( -22.911 -6.234 -2.144) 23.841 9.356 ( -24.904 3.227 9.158) 26.730 11.046 ( -2.247 19.362 -11.199) 22.480 11.576 ( -19.782 1.291 2.995) 20.049 12.008 ( -15.329 1.947 -2.970) 15.735 13.083 ( 1.585 8.188 1.344) 8.447 14.480 ( 5.135 -17.417 3.347) 18.464 16.406 ( 17.588 3.380 -1.401) 17.964 18.094 ( 5.247 -9.999 -0.539) 11.305 19.086 ( 15.763 10.442 -9.612) 21.211 20.481 ( -3.654 4.728 4.178) 7.291 ======================= Grid point 45 (42/161) ======================= q-point: ( 0.45 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.923 9.075 -0.470) 9.133 1.890 ( 6.970 3.117 4.105) 8.668 2.131 ( -2.340 -1.513 -5.482) 6.150 2.318 ( -6.261 -1.965 3.411) 7.395 2.630 ( -6.124 -7.349 -1.123) 9.632 2.845 ( 1.459 2.801 -1.453) 3.476 4.209 ( 2.525 -1.391 -0.824) 2.999 4.486 ( 4.554 -0.443 0.943) 4.671 5.188 ( -2.708 -1.237 -1.371) 3.277 5.385 ( -48.499 -1.076 1.150) 48.524 6.921 ( 22.681 -0.462 -3.388) 22.937 7.173 ( 18.065 -4.984 4.881) 19.365 7.824 ( -16.593 4.520 -3.640) 17.579 8.644 ( -25.951 2.601 1.786) 26.142 9.342 ( -25.827 -7.439 -1.261) 26.907 10.402 ( 1.470 8.422 3.969) 9.426 11.578 ( -31.628 -3.058 -0.363) 31.778 12.036 ( -5.550 3.188 -7.060) 9.530 12.824 ( 3.594 0.010 4.962) 6.127 14.918 ( 10.973 -2.270 2.398) 11.459 16.330 ( 17.663 0.705 -0.095) 17.677 18.252 ( 2.212 6.467 -8.434) 10.856 18.853 ( 14.078 -1.933 6.806) 15.756 20.383 ( -3.144 -1.432 -0.358) 3.473 ======================= Grid point 46 (43/161) ======================= q-point: ( 0.32 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 6.029 0.565 4.323) 7.440 1.902 ( 3.542 2.059 9.056) 9.939 2.091 ( 1.437 -5.174 -6.896) 8.740 2.502 ( -1.392 -1.108 -3.042) 3.524 2.593 ( 2.333 1.031 0.884) 2.699 2.867 ( 6.917 3.070 -1.814) 7.782 4.157 ( 3.831 7.187 -0.822) 8.186 4.462 ( 0.433 -2.269 -1.735) 2.889 5.012 ( -3.028 11.891 -1.692) 12.386 6.330 ( 19.252 0.938 0.240) 19.276 6.501 ( -4.151 0.417 -0.715) 4.233 6.862 ( -7.874 -1.599 -3.772) 8.876 8.043 ( 14.354 5.051 5.132) 16.059 9.081 ( 22.128 7.530 4.471) 23.798 9.762 ( 19.867 0.125 -5.413) 20.592 10.696 ( 2.846 -16.862 -0.297) 17.103 11.968 ( 10.724 7.263 2.919) 13.277 12.375 ( 30.936 -4.078 -0.523) 31.208 12.907 ( 3.087 -9.421 0.451) 9.924 14.599 ( -11.413 8.641 -1.254) 14.370 15.994 ( -17.469 -2.171 0.509) 17.611 18.088 ( -5.882 1.935 1.666) 6.413 18.674 ( -12.525 -2.882 2.914) 13.179 20.396 ( -4.763 -2.338 -1.543) 5.525 ======================= Grid point 47 (44/161) ======================= q-point: ( 0.07 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 11.964 4.161 14.787) 19.470 1.653 ( 16.577 1.178 2.477) 16.803 2.420 ( 14.281 -0.746 0.001) 14.301 2.504 ( -1.187 -1.117 -8.341) 8.499 2.734 ( 7.515 -4.233 0.027) 8.625 2.861 ( -0.929 0.244 -2.433) 2.616 3.725 ( -2.057 11.248 -1.834) 11.581 4.479 ( -4.432 10.030 -3.452) 11.496 4.671 ( 6.843 -2.515 -3.853) 8.246 6.135 ( -12.012 11.156 -1.805) 16.493 6.389 ( -15.249 -1.113 -0.937) 15.318 7.290 ( 38.116 -10.672 2.366) 39.652 7.573 ( 7.125 7.679 3.269) 10.974 8.666 ( 16.564 5.104 2.720) 17.544 10.133 ( 14.170 -4.012 -14.635) 20.762 11.220 ( 16.246 -11.446 17.074) 26.200 11.564 ( -1.182 6.461 2.705) 7.104 12.664 ( 1.793 -3.475 -8.477) 9.335 13.433 ( 21.712 -12.535 -2.491) 25.194 14.161 ( -2.009 9.168 -1.122) 9.452 16.166 ( -14.728 -5.972 -1.693) 15.982 17.801 ( -4.161 12.366 -3.085) 13.407 18.581 ( -10.659 -2.595 17.284) 20.472 20.639 ( -10.116 -4.380 -3.771) 11.651 ======================= Grid point 48 (45/161) ======================= q-point: (-0.18 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 14.772 -4.981 0.000) 15.589 1.625 ( 18.065 -1.369 -0.000) 18.117 2.420 ( 14.772 1.549 -0.000) 14.853 2.611 ( -1.680 1.389 -0.000) 2.180 2.727 ( 9.546 2.553 -0.000) 9.882 2.886 ( -2.714 0.240 0.000) 2.724 3.746 ( -2.310 -10.808 0.000) 11.053 4.519 ( -4.793 -9.276 0.000) 10.441 4.717 ( 8.409 2.866 -0.000) 8.884 6.155 ( -11.329 -11.790 0.000) 16.351 6.411 ( -26.486 0.737 0.000) 26.497 7.247 ( 46.776 10.205 -0.000) 47.876 7.539 ( 7.463 -7.891 0.000) 10.861 8.634 ( 15.716 -4.059 0.000) 16.232 10.382 ( 3.619 3.765 -0.000) 5.222 10.927 ( 31.296 10.777 -0.000) 33.100 11.543 ( -1.158 -6.881 0.000) 6.978 12.780 ( -12.074 3.227 -0.000) 12.498 13.461 ( 27.686 15.977 -0.000) 31.965 14.171 ( -2.246 -8.701 0.000) 8.986 16.192 ( -14.177 8.006 -0.000) 16.281 17.863 ( -7.514 -17.153 0.000) 18.727 18.344 ( -3.845 2.679 -0.000) 4.686 20.683 ( -11.489 4.919 -0.000) 12.498 ======================= Grid point 49 (46/161) ======================= q-point: (-0.43 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 10.024 -4.245 -7.344) 13.131 1.697 ( 2.502 -3.693 -5.192) 6.845 2.274 ( 2.884 4.476 7.706) 9.367 2.487 ( 1.569 5.819 -2.257) 6.435 2.642 ( -5.584 -4.375 3.012) 7.707 2.902 ( 7.632 -0.744 1.327) 7.782 4.174 ( 4.513 -6.477 0.617) 7.918 4.492 ( 1.622 4.004 0.924) 4.418 5.050 ( -2.676 -10.548 1.585) 10.997 6.350 ( -0.292 -1.087 2.185) 2.457 6.505 ( 14.771 2.759 -0.918) 15.055 6.903 ( -9.675 1.575 0.339) 9.808 8.011 ( 15.821 -9.946 1.473) 18.746 8.962 ( 19.419 -8.923 -5.636) 22.101 9.936 ( 17.221 4.420 10.959) 20.886 10.553 ( 10.848 15.281 -12.762) 22.673 11.975 ( 10.988 -11.452 2.757) 16.109 12.458 ( 23.807 6.064 6.837) 25.500 12.832 ( 6.780 10.487 -6.401) 14.033 14.604 ( -11.787 -7.480 -0.576) 13.971 15.984 ( -17.119 1.882 -0.338) 17.225 18.131 ( -4.320 -2.283 5.512) 7.366 18.550 ( -13.529 -1.626 -8.132) 15.868 20.429 ( -5.316 3.861 1.346) 6.706 ======================= Grid point 50 (47/161) ======================= q-point: ( 0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -2.255 -2.930 0.000) 3.697 2.082 ( 9.336 0.189 -0.000) 9.338 2.092 ( -6.519 -2.916 0.000) 7.141 2.464 ( 5.226 4.342 -0.000) 6.795 2.867 ( -17.897 6.848 -0.000) 19.163 3.314 ( -7.818 0.333 0.000) 7.825 4.474 ( -4.591 -5.087 0.000) 6.852 4.610 ( -9.160 -3.896 0.000) 9.954 5.053 ( 1.081 -5.028 0.000) 5.143 5.635 ( 17.382 8.850 -0.000) 19.505 6.192 ( 14.302 -3.551 0.000) 14.736 7.554 ( -14.952 -2.961 0.000) 15.242 9.013 ( -13.382 6.750 -0.000) 14.988 9.635 ( -8.675 12.715 -0.000) 15.392 10.075 ( 4.403 -6.935 0.000) 8.215 10.725 ( -17.144 -15.909 0.000) 23.388 12.306 ( 9.747 8.144 -0.000) 12.701 12.715 ( -9.051 2.200 -0.000) 9.315 14.193 ( 8.706 -0.224 -0.000) 8.709 14.212 ( -43.328 -0.664 0.000) 43.333 15.398 ( 10.130 -0.629 -0.000) 10.149 17.838 ( 10.412 -0.432 -0.000) 10.421 18.329 ( 0.488 3.236 -0.000) 3.272 19.885 ( 16.789 -0.725 -0.000) 16.804 ======================= Grid point 51 (48/161) ======================= q-point: ( 0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.150 1.740 -6.332) 7.283 2.010 ( 0.833 8.797 -2.309) 9.133 2.283 ( 5.339 -8.123 7.089) 12.031 2.427 ( 4.023 -4.786 3.489) 7.160 2.853 ( -16.669 -6.567 -5.341) 18.695 3.249 ( -9.495 0.677 0.322) 9.525 4.285 ( -7.255 11.439 4.069) 14.144 4.611 ( 1.846 13.290 -0.368) 13.422 4.963 ( -10.731 -6.319 4.809) 13.350 5.636 ( 14.119 -2.219 -5.073) 15.166 5.859 ( 15.611 14.685 1.347) 21.475 8.075 ( -12.617 -18.813 -0.653) 22.662 8.213 ( -9.673 18.265 3.380) 20.943 9.356 ( -10.832 7.773 -6.335) 14.761 10.399 ( -4.453 -6.754 0.893) 8.138 11.236 ( 4.608 -8.172 7.214) 11.835 11.993 ( -7.156 21.691 0.111) 22.841 12.594 ( -5.245 -12.138 -8.310) 15.617 14.138 ( 4.909 2.605 0.133) 5.559 14.553 ( -36.431 -9.862 1.086) 37.758 15.558 ( 8.127 -6.581 1.456) 10.558 17.751 ( 5.480 3.211 0.961) 6.424 18.294 ( 2.121 0.298 -4.353) 4.851 19.939 ( 18.717 -1.695 0.710) 18.807 ======================= Grid point 52 (49/161) ======================= q-point: (-0.06 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 10.587 -0.000 -4.145) 11.370 2.027 ( -4.505 -0.000 -11.882) 12.707 2.202 ( 2.135 0.000 11.152) 11.355 2.520 ( 2.105 0.000 8.487) 8.745 3.018 ( -16.127 0.000 4.919) 16.860 3.352 ( -7.084 -0.000 -2.093) 7.387 3.832 ( -10.361 -0.000 -0.655) 10.382 4.193 ( -3.201 0.000 1.752) 3.649 4.993 ( -14.242 0.000 9.248) 16.981 5.412 ( 13.273 0.000 1.818) 13.397 5.994 ( 15.749 -0.000 -17.628) 23.639 7.704 ( -2.409 -0.000 -1.807) 3.011 8.630 ( -18.133 0.000 8.320) 19.951 9.239 ( -11.295 -0.000 -2.681) 11.609 10.502 ( -10.340 0.000 1.222) 10.412 11.241 ( 7.101 0.000 -0.101) 7.102 11.433 ( 9.522 0.000 3.020) 9.989 13.157 ( -9.288 -0.000 -9.355) 13.183 14.037 ( -0.448 0.000 1.055) 1.146 14.744 ( -35.404 -0.000 1.026) 35.419 15.674 ( 7.798 0.000 3.570) 8.576 17.655 ( -0.093 -0.000 -0.230) 0.248 18.445 ( 9.718 -0.000 -7.123) 12.049 19.956 ( 19.128 0.000 1.378) 19.178 ======================= Grid point 53 (50/161) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -2.041 4.218 8.266) 9.501 1.972 ( 4.951 -3.938 -2.205) 6.699 2.209 ( 0.475 2.901 2.508) 3.864 2.456 ( 3.748 -2.542 -6.727) 8.110 3.086 ( -15.055 0.507 -4.017) 15.590 3.205 ( -11.575 0.619 1.779) 11.727 4.134 ( -7.278 -9.645 1.481) 12.173 4.542 ( 0.450 -15.606 2.789) 15.860 4.696 ( -9.807 4.575 4.517) 11.727 5.744 ( 11.286 -14.173 1.562) 18.185 6.048 ( 17.094 10.974 -8.778) 22.129 7.848 ( -18.167 12.504 6.960) 23.126 8.413 ( -4.903 -18.539 -8.476) 20.966 9.589 ( -7.645 -10.200 -2.678) 13.025 10.411 ( -11.748 3.684 -1.447) 12.397 10.671 ( 3.548 13.903 13.319) 19.577 12.151 ( -2.790 -20.454 -3.957) 21.019 12.902 ( 0.266 16.276 -3.830) 16.722 14.119 ( 4.252 -3.252 0.581) 5.385 14.521 ( -41.765 9.422 -0.041) 42.815 15.496 ( 10.139 4.186 0.837) 11.001 17.742 ( 4.761 -2.958 -0.407) 5.620 18.476 ( 8.520 3.686 -2.550) 9.627 19.901 ( 17.056 0.997 0.680) 17.099 ======================= Grid point 54 (51/161) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 -6.567 -11.598) 13.328 1.823 ( 0.000 -14.404 -1.368) 14.469 2.119 ( -0.000 -0.569 5.940) 5.967 2.144 ( -0.000 2.012 0.397) 2.051 2.481 ( 0.000 -3.481 1.448) 3.770 2.842 ( 0.000 -3.771 -6.801) 7.777 4.018 ( -0.000 7.370 0.528) 7.389 4.265 ( 0.000 -3.315 3.224) 4.624 4.765 ( -0.000 3.366 2.505) 4.196 5.151 ( 0.000 -8.991 1.454) 9.107 7.407 ( 0.000 -0.779 -1.977) 2.125 7.464 ( 0.000 -9.383 3.275) 9.938 7.746 ( -0.000 1.182 2.007) 2.329 8.194 ( 0.000 -0.566 -0.759) 0.947 8.287 ( -0.000 1.548 7.604) 7.760 10.622 ( -0.000 14.905 -12.911) 19.719 10.906 ( 0.000 -0.838 0.755) 1.128 11.852 ( 0.000 -0.038 -2.718) 2.719 13.008 ( -0.000 4.458 1.586) 4.732 15.016 ( 0.000 -16.515 3.651) 16.914 16.787 ( -0.000 2.509 -0.417) 2.543 18.252 ( 0.000 4.261 -7.041) 8.230 19.300 ( -0.000 5.127 3.866) 6.421 20.225 ( 0.000 -0.032 -0.019) 0.038 ======================= Grid point 55 (52/161) ======================= q-point: ( 0.31 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 14.817 5.409) 15.773 1.797 ( -0.000 19.114 0.881) 19.134 2.150 ( 0.000 -5.906 -0.194) 5.910 2.258 ( 0.000 2.148 -5.392) 5.804 2.464 ( -0.000 12.441 1.700) 12.556 2.736 ( 0.000 -5.094 2.595) 5.717 4.028 ( 0.000 -7.329 -0.378) 7.339 4.386 ( 0.000 1.287 -7.663) 7.770 4.764 ( 0.000 -5.121 3.036) 5.953 5.162 ( -0.000 8.510 0.299) 8.515 7.371 ( -0.000 2.115 1.208) 2.436 7.558 ( -0.000 6.004 -4.868) 7.729 7.782 ( 0.000 -2.533 -1.270) 2.833 8.179 ( -0.000 1.176 0.575) 1.310 8.432 ( 0.000 -9.552 -5.002) 10.783 10.342 ( -0.000 -2.712 11.102) 11.429 10.921 ( 0.000 0.194 -0.529) 0.563 11.876 ( 0.000 2.133 -3.852) 4.403 12.967 ( 0.000 -5.560 4.456) 7.125 15.045 ( -0.000 13.428 0.647) 13.443 16.777 ( 0.000 -2.041 0.364) 2.073 18.212 ( 0.000 -1.354 -2.301) 2.669 19.319 ( 0.000 -5.486 1.466) 5.678 20.225 ( -0.000 0.049 0.014) 0.051 ======================= Grid point 56 (53/161) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -0.000 22.929 -0.000) 22.929 0.657 ( -0.000 30.713 -0.000) 30.713 0.881 ( -0.000 40.896 -0.000) 40.896 2.403 ( 0.000 -3.642 0.000) 3.642 2.688 ( 0.000 -4.340 0.000) 4.340 2.963 ( 0.000 -1.738 0.000) 1.738 4.321 ( 0.000 -4.296 0.000) 4.296 4.485 ( -0.000 0.455 -0.000) 0.455 4.694 ( -0.000 7.775 -0.000) 7.775 4.812 ( 0.000 -0.628 0.000) 0.628 7.270 ( -0.000 1.346 -0.000) 1.346 7.369 ( -0.000 4.597 -0.000) 4.597 7.905 ( 0.000 -1.677 0.000) 1.677 8.123 ( -0.000 0.698 -0.000) 0.698 9.032 ( 0.000 -8.612 0.000) 8.612 10.335 ( 0.000 -4.203 0.000) 4.203 10.908 ( -0.000 0.544 -0.000) 0.544 11.880 ( -0.000 0.441 -0.000) 0.441 13.216 ( 0.000 -8.450 0.000) 8.450 14.273 ( -0.000 16.781 -0.000) 16.781 16.886 ( 0.000 -2.316 0.000) 2.316 18.482 ( 0.000 -5.337 0.000) 5.337 19.382 ( -0.000 0.028 -0.000) 0.028 20.222 ( -0.000 0.042 -0.000) 0.042 ======================= Grid point 57 (54/161) ======================= q-point: (-0.19 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 -16.796 -17.122) 23.985 0.780 ( 0.000 -24.909 -10.472) 27.021 1.192 ( 0.000 -26.341 -25.927) 36.960 2.353 ( -0.000 2.936 4.592) 5.450 2.592 ( -0.000 5.727 6.331) 8.537 2.906 ( -0.000 -0.015 5.619) 5.619 4.191 ( 0.000 -8.832 9.322) 12.841 4.329 ( -0.000 4.611 -0.681) 4.661 4.639 ( 0.000 -8.283 4.404) 9.380 5.122 ( -0.000 11.091 -7.849) 13.587 7.047 ( 0.000 -19.004 13.857) 23.519 7.294 ( 0.000 -1.226 -2.239) 2.552 7.880 ( -0.000 1.599 2.236) 2.749 8.134 ( 0.000 -0.696 -1.026) 1.240 8.830 ( -0.000 7.728 17.971) 19.562 10.703 ( 0.000 8.757 -28.827) 30.128 10.894 ( -0.000 -0.637 1.207) 1.365 11.745 ( 0.000 -6.458 3.280) 7.243 13.392 ( -0.000 15.156 -4.513) 15.813 14.249 ( 0.000 -17.043 2.468) 17.221 16.901 ( -0.000 2.554 -1.289) 2.861 18.029 ( 0.000 -20.432 14.889) 25.282 19.834 ( -0.000 24.810 -15.629) 29.323 20.223 ( 0.000 -0.039 -0.033) 0.051 ======================= Grid point 58 (55/161) ======================= q-point: (-0.32 0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 5.039 -2.122 0.000) 5.467 1.983 ( -3.419 -11.140 0.000) 11.653 2.390 ( -9.572 11.987 -0.000) 15.340 2.454 ( -0.624 4.238 -0.000) 4.284 2.787 ( 18.477 6.893 -0.000) 19.721 3.252 ( 9.442 -0.937 0.000) 9.489 4.337 ( 8.347 -11.155 0.000) 13.932 4.601 ( -3.451 -12.898 0.000) 13.352 5.014 ( 9.524 6.220 -0.000) 11.375 5.583 ( -12.932 2.527 -0.000) 13.177 5.875 ( -16.170 -15.003 0.000) 22.058 8.067 ( 11.771 18.900 -0.000) 22.266 8.260 ( 11.315 -22.840 0.000) 25.489 9.276 ( 11.318 -5.018 0.000) 12.380 10.412 ( 0.624 8.793 -0.000) 8.816 11.305 ( -1.936 9.364 -0.000) 9.562 12.017 ( 7.271 -24.631 0.000) 25.682 12.485 ( 6.111 12.074 -0.000) 13.532 14.139 ( -4.984 -2.395 0.000) 5.529 14.566 ( 35.242 10.067 -0.000) 36.652 15.575 ( -7.627 7.372 -0.000) 10.608 17.765 ( -6.632 -3.567 0.000) 7.530 18.241 ( 0.264 -1.107 0.000) 1.138 19.947 ( -19.067 1.816 0.000) 19.153 ======================= Grid point 59 (56/161) ======================= q-point: (-0.57 0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 1.680 2.812 -2.195) 3.943 2.044 ( -0.998 -2.464 -0.873) 2.798 2.160 ( -2.288 4.617 -1.846) 5.474 2.417 ( -4.896 -3.724 3.589) 7.122 2.853 ( 18.244 -5.103 1.020) 18.971 3.319 ( 7.980 -0.294 -0.355) 7.993 4.445 ( 4.577 3.343 1.776) 5.939 4.653 ( 9.361 3.174 -2.802) 10.274 5.046 ( -1.387 3.184 0.632) 3.530 5.646 ( -16.670 -6.026 -0.857) 17.747 6.202 ( -14.721 2.630 -0.757) 14.974 7.560 ( 15.115 2.034 -0.477) 15.259 8.744 ( 8.681 -4.364 15.502) 18.295 9.798 ( 11.413 -7.276 -5.903) 14.766 10.220 ( 0.167 -1.500 -13.140) 13.227 10.703 ( 13.816 16.090 2.302) 21.332 12.259 ( -6.157 -6.529 3.611) 9.673 12.712 ( 5.893 -1.421 0.217) 6.066 14.197 ( -8.703 0.187 -0.310) 8.710 14.211 ( 43.170 0.440 0.023) 43.172 15.398 ( -10.198 0.447 -0.009) 10.207 17.822 ( -9.208 0.223 1.109) 9.277 18.342 ( -1.526 -2.209 -0.955) 2.850 19.884 ( -16.759 0.514 0.060) 16.767 ======================= Grid point 60 (57/161) ======================= q-point: ( 0.18 0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.917 0.169 2.530) 3.179 1.984 ( 3.983 -1.316 -6.526) 7.758 2.226 ( -3.436 3.844 2.886) 5.908 2.350 ( -4.907 -4.627 -1.121) 6.837 2.979 ( 15.326 -3.933 5.779) 16.845 3.235 ( 9.987 0.116 -1.027) 10.040 4.193 ( 6.708 11.316 -3.889) 13.718 4.597 ( -0.266 14.392 -1.788) 14.505 4.826 ( 10.896 -5.423 -6.985) 14.032 5.763 ( -12.980 6.469 2.552) 14.726 5.857 ( -16.192 2.736 5.069) 17.186 8.012 ( 15.994 -15.251 -6.999) 23.182 8.234 ( 5.785 12.830 6.394) 15.459 9.497 ( 8.928 9.924 5.833) 14.567 10.391 ( 10.864 -3.199 0.336) 11.330 10.990 ( -5.880 -8.940 -14.639) 18.132 12.049 ( 4.378 19.907 4.631) 20.902 12.776 ( 2.890 -14.702 7.667) 16.831 14.131 ( -4.690 3.002 -0.484) 5.589 14.529 ( 39.248 -9.483 -0.849) 40.387 15.523 ( -9.206 -5.132 -1.575) 10.657 17.737 ( -4.538 2.822 -0.139) 5.346 18.397 ( -5.954 -1.685 4.603) 7.712 19.920 ( -17.880 -1.371 -0.986) 17.960 ======================= Grid point 61 (58/161) ======================= q-point: (-0.07 0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -9.183 0.000 2.071) 9.413 1.756 ( 5.665 0.000 10.800) 12.195 2.426 ( -2.549 -0.000 -7.811) 8.216 2.663 ( -5.121 -0.000 -4.489) 6.810 3.130 ( 14.637 -0.000 -5.137) 15.512 3.303 ( 8.471 0.000 2.463) 8.822 3.847 ( 12.415 -0.000 -1.641) 12.523 4.209 ( -1.003 0.000 0.115) 1.009 5.179 ( 15.348 -0.000 -6.394) 16.627 5.446 ( -13.598 -0.000 -1.201) 13.651 5.711 ( -14.152 0.000 7.627) 16.076 7.668 ( 3.606 0.000 1.310) 3.837 8.672 ( 12.971 0.000 2.694) 13.248 9.186 ( 12.248 0.000 1.967) 12.405 10.620 ( 10.766 -0.000 -7.957) 13.387 11.240 ( -6.502 -0.000 0.031) 6.502 11.489 ( -10.679 -0.000 -2.008) 10.866 12.933 ( 13.845 0.000 9.983) 17.069 14.057 ( -0.203 -0.000 -0.727) 0.755 14.772 ( 30.799 0.000 -1.307) 30.826 15.759 ( -7.120 -0.000 -3.756) 8.050 17.651 ( 0.240 0.000 0.157) 0.287 18.293 ( -4.307 0.000 6.099) 7.466 19.983 ( -20.390 -0.000 -0.938) 20.412 ======================= Grid point 62 (59/161) ======================= q-point: (-0.20 -0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -10.814 -0.717 -4.236) 11.636 1.778 ( -9.119 -3.333 -13.989) 17.028 2.316 ( 2.624 0.139 7.492) 7.939 2.422 ( -13.096 -0.305 -0.018) 13.099 2.729 ( -4.078 7.104 0.112) 8.192 2.782 ( -3.868 -0.380 4.658) 6.066 3.678 ( 1.365 -12.395 2.291) 12.678 4.388 ( 3.457 -11.392 4.494) 12.725 4.577 ( -3.551 1.836 4.411) 5.953 6.084 ( 13.641 -9.559 2.677) 16.871 6.412 ( -5.752 2.328 -3.372) 7.063 7.285 ( -22.047 11.226 3.173) 24.943 7.678 ( -7.049 -8.424 -5.979) 12.506 8.731 ( -18.472 -7.228 -2.762) 20.027 9.891 ( -19.712 3.985 7.252) 21.378 11.405 ( 2.546 11.519 -0.424) 11.804 11.693 ( -2.070 -4.112 -6.039) 7.593 12.567 ( -22.511 3.497 -2.735) 22.945 13.358 ( -15.240 8.398 4.508) 17.975 14.122 ( 1.267 -9.584 2.308) 9.939 16.144 ( 16.452 3.871 0.203) 16.903 17.766 ( 2.702 -9.532 0.381) 9.915 18.948 ( 16.794 6.223 -15.142) 23.453 20.539 ( 7.391 3.117 5.000) 9.452 ======================= Grid point 63 (60/161) ======================= q-point: (-0.45 -0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 3.385 -1.371 3.751) 5.236 1.956 ( -7.500 10.200 -3.294) 13.083 2.140 ( 0.572 -0.337 -5.408) 5.449 2.386 ( -2.272 0.985 6.156) 6.636 2.660 ( -8.656 -4.728 -3.773) 10.560 2.830 ( -2.866 -3.251 1.480) 4.580 4.142 ( -3.312 -7.766 0.536) 8.460 4.425 ( 0.837 0.869 1.472) 1.903 4.983 ( 3.399 -13.505 0.947) 13.958 6.339 ( -35.354 -0.283 -0.044) 35.356 6.511 ( 16.607 -3.681 -2.424) 17.182 6.749 ( 9.727 2.158 6.186) 11.728 8.210 ( -16.959 -3.368 -8.791) 19.397 9.128 ( -23.305 -4.768 0.183) 23.789 9.689 ( -21.850 -2.979 1.724) 22.120 10.601 ( 6.501 17.046 5.920) 19.180 12.045 ( -18.889 -8.647 -2.489) 20.922 12.453 ( -26.685 8.476 -7.403) 28.961 12.856 ( -2.554 8.727 4.876) 10.318 14.557 ( 10.091 -9.376 2.108) 13.935 16.004 ( 17.939 2.577 -0.407) 18.128 18.181 ( 9.551 -4.801 -5.829) 12.176 18.677 ( 9.840 9.566 2.158) 13.892 20.370 ( 4.472 0.824 0.817) 4.620 ======================= Grid point 64 (61/161) ======================= q-point: ( 0.30 -0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -4.335 7.509 -0.000) 8.670 1.656 ( -9.779 2.915 -0.000) 10.204 2.375 ( -2.444 -2.790 0.000) 3.709 2.447 ( -1.252 -8.654 0.000) 8.745 2.678 ( 6.646 5.331 -0.000) 8.520 2.917 ( -7.534 -0.306 0.000) 7.540 4.181 ( -4.882 6.151 -0.000) 7.853 4.501 ( -2.001 -4.835 0.000) 5.233 5.069 ( 2.490 10.044 -0.000) 10.348 6.394 ( 26.565 1.188 -0.000) 26.591 6.476 ( -41.306 -4.350 0.000) 41.534 6.902 ( 11.042 -1.500 0.000) 11.144 8.042 ( -17.843 13.212 -0.000) 22.202 8.890 ( -17.444 8.596 -0.000) 19.447 10.219 ( -1.493 -1.503 0.000) 2.118 10.237 ( -27.784 -18.870 0.000) 33.586 12.016 ( -14.046 13.963 -0.000) 19.805 12.636 ( 8.921 -1.605 0.000) 9.064 12.661 ( -35.717 -17.957 0.000) 39.977 14.593 ( 11.598 6.953 -0.000) 13.523 15.980 ( 17.018 -1.793 0.000) 17.112 18.257 ( -0.085 1.427 -0.000) 1.430 18.397 ( 17.878 4.775 -0.000) 18.504 20.445 ( 5.619 -4.493 0.000) 7.194 ======================= Grid point 66 (62/161) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 20.039 0.000 0.000) 20.039 1.171 ( 26.124 0.000 0.000) 26.124 1.856 ( 34.742 0.000 0.000) 34.742 2.577 ( 6.616 0.000 0.000) 6.616 2.679 ( -2.348 -0.000 -0.000) 2.348 2.941 ( -1.847 -0.000 -0.000) 1.847 3.780 ( -9.509 -0.000 -0.000) 9.509 4.516 ( -4.402 -0.000 -0.000) 4.402 4.597 ( 6.009 0.000 0.000) 6.009 6.265 ( 55.401 0.000 0.000) 55.401 6.295 ( -13.521 -0.000 -0.000) 13.521 7.003 ( -32.136 -0.000 -0.000) 32.136 7.353 ( 4.508 0.000 0.000) 4.508 8.289 ( 14.384 0.000 0.000) 14.384 10.345 ( 37.506 0.000 0.000) 37.506 10.391 ( 0.765 0.000 0.000) 0.765 11.535 ( -2.392 -0.000 -0.000) 2.392 13.074 ( -11.834 -0.000 -0.000) 11.834 13.310 ( 12.403 0.000 0.000) 12.403 14.072 ( 0.080 0.000 0.000) 0.080 16.604 ( -13.788 -0.000 -0.000) 13.788 17.634 ( 0.134 0.000 0.000) 0.134 18.461 ( -3.797 -0.000 -0.000) 3.797 20.944 ( -7.290 -0.000 -0.000) 7.290 ======================= Grid point 67 (63/161) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 12.353 -6.955 -9.360) 16.987 1.443 ( 6.543 -11.963 -10.684) 17.323 2.291 ( 7.179 -6.106 3.061) 9.909 2.428 ( 7.400 1.833 3.806) 8.520 2.552 ( 4.978 -0.719 1.407) 5.223 2.867 ( 0.180 2.316 2.903) 3.718 4.068 ( -10.448 -7.456 3.298) 13.253 4.551 ( -1.358 2.048 -0.872) 2.608 4.829 ( -3.148 -14.218 2.290) 14.741 5.626 ( 51.889 10.357 3.040) 53.000 6.830 ( -19.732 -9.757 7.705) 23.322 7.154 ( -22.792 -1.155 -5.268) 23.421 7.568 ( 9.663 -6.934 -3.143) 12.301 8.418 ( 19.810 -4.808 -2.338) 20.519 9.636 ( 24.711 6.437 16.724) 30.525 10.651 ( 9.839 13.898 -23.205) 28.782 11.600 ( 11.334 -1.402 -0.075) 11.421 12.174 ( 23.218 9.735 15.108) 29.362 13.026 ( -3.273 9.352 -6.695) 11.958 14.526 ( -6.209 -16.457 0.817) 17.608 16.382 ( -17.070 3.095 -0.766) 17.366 18.155 ( -4.676 -5.627 6.674) 9.903 18.815 ( -17.074 -1.258 -14.941) 22.723 20.571 ( 3.165 7.664 3.658) 9.063 ======================= Grid point 68 (64/161) ======================= q-point: (-0.58 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 2.429 0.000 0.000) 2.429 1.986 ( -5.217 0.000 -0.000) 5.217 2.017 ( 0.498 -0.000 0.000) 0.498 2.367 ( 9.685 -0.000 0.000) 9.685 2.611 ( 1.464 0.000 0.000) 1.464 2.825 ( -0.327 0.000 0.000) 0.327 4.198 ( -1.272 0.000 0.000) 1.272 4.498 ( -5.472 0.000 0.000) 5.472 5.171 ( 5.410 0.000 0.000) 5.410 5.400 ( 45.683 -0.000 0.000) 45.683 6.882 ( -21.692 0.000 0.000) 21.692 7.235 ( -19.430 0.000 0.000) 19.430 7.773 ( 15.413 0.000 0.000) 15.413 8.667 ( 26.975 0.000 0.000) 26.975 9.325 ( 24.809 0.000 0.000) 24.809 10.458 ( 0.776 0.000 0.000) 0.776 11.573 ( 31.569 0.000 0.000) 31.569 11.944 ( 4.826 0.000 0.000) 4.826 12.885 ( -3.762 0.000 0.000) 3.762 14.952 ( -11.599 0.000 0.000) 11.599 16.329 ( -17.636 0.000 0.000) 17.636 18.149 ( -1.634 -0.000 0.000) 1.634 18.933 ( -14.031 0.000 0.000) 14.031 20.378 ( 3.158 0.000 0.000) 3.158 ======================= Grid point 72 (65/161) ======================= q-point: (-0.21 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 7.147 -8.224 -1.477) 10.995 1.880 ( -0.046 1.239 10.196) 10.271 2.337 ( -4.514 2.848 -2.766) 6.012 2.372 ( -0.837 1.778 -2.582) 3.245 3.261 ( -9.661 -2.786 0.200) 10.056 3.399 ( 0.850 4.325 -0.587) 4.446 4.101 ( -3.824 -8.634 -3.994) 10.253 4.339 ( -5.167 -6.252 4.597) 9.323 5.025 ( -12.283 4.498 6.806) 14.745 5.294 ( 5.162 -10.833 0.590) 12.014 5.924 ( 18.381 9.041 -12.646) 24.073 7.960 ( 0.185 -17.704 -2.907) 17.942 8.495 ( -9.790 13.423 9.783) 19.280 9.490 ( -0.509 -5.752 -1.160) 5.890 10.680 ( -2.260 8.537 -2.980) 9.320 10.916 ( -5.547 7.818 3.162) 10.094 11.631 ( 4.042 -24.793 -2.242) 25.220 13.195 ( 2.984 11.372 0.162) 11.758 14.043 ( -0.029 -0.634 0.245) 0.680 15.256 ( -10.893 2.392 -1.252) 11.223 15.498 ( -4.773 6.117 0.978) 7.820 17.663 ( 0.613 -0.471 -0.069) 0.776 18.349 ( 7.010 0.207 -1.113) 7.100 19.635 ( 8.679 0.449 0.233) 8.694 ======================= Grid point 73 (66/161) ======================= q-point: (-0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.600 -1.043 0.000) 4.716 2.022 ( 5.007 7.029 -0.000) 8.630 2.078 ( -2.542 -6.763 0.000) 7.225 2.457 ( 4.127 3.580 -0.000) 5.463 3.225 ( -2.487 2.471 -0.000) 3.506 3.409 ( -3.080 -1.521 0.000) 3.435 4.430 ( -6.835 -6.002 0.000) 9.097 4.751 ( -4.018 -2.777 0.000) 4.885 4.865 ( -7.640 -9.957 0.000) 12.550 5.550 ( 14.462 11.587 -0.000) 18.532 5.849 ( 4.382 -10.672 0.000) 11.537 7.817 ( -6.995 8.077 -0.000) 10.685 9.037 ( -0.016 -17.318 0.000) 17.318 9.798 ( 8.944 -5.902 0.000) 10.716 10.054 ( -6.374 12.209 -0.000) 13.773 10.830 ( -15.605 -4.489 0.000) 16.238 12.435 ( 8.029 19.759 -0.000) 21.328 12.665 ( -1.583 -16.732 0.000) 16.807 14.067 ( 2.662 -0.401 0.000) 2.692 15.002 ( -23.271 9.190 -0.000) 25.019 15.240 ( 7.976 2.098 -0.000) 8.247 17.688 ( 3.181 -0.425 0.000) 3.209 18.340 ( 2.736 0.677 -0.000) 2.819 19.611 ( 8.219 0.307 -0.000) 8.225 ======================= Grid point 74 (67/161) ======================= q-point: ( 0.29 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.039 2.009 -5.376) 5.740 1.953 ( 2.821 -9.893 2.477) 10.581 2.159 ( 3.446 7.416 -2.203) 8.469 2.327 ( -1.805 -3.477 5.103) 6.433 3.125 ( -12.867 0.224 -2.292) 13.072 3.399 ( -2.934 1.809 0.413) 3.471 4.497 ( 0.998 3.424 2.831) 4.554 4.807 ( -0.938 5.072 -3.084) 6.010 5.018 ( 0.504 1.875 3.068) 3.631 5.381 ( 2.796 -4.469 -2.803) 5.970 5.878 ( 7.698 9.853 0.297) 12.507 7.882 ( -2.767 -11.573 -1.109) 11.951 8.719 ( -5.630 11.770 13.760) 18.962 9.765 ( -7.999 12.001 -7.531) 16.270 10.297 ( -0.274 -6.392 -11.543) 13.197 10.997 ( 7.211 -1.892 7.415) 10.515 12.311 ( -4.967 -16.306 -2.041) 17.167 12.611 ( -3.039 16.731 1.622) 17.082 14.072 ( 3.020 0.227 -0.056) 3.029 14.969 ( -21.418 -6.902 -0.368) 22.506 15.286 ( 7.748 -4.992 0.890) 9.260 17.687 ( 3.135 0.377 0.181) 3.163 18.307 ( -0.757 1.015 -0.766) 1.480 19.618 ( 9.002 -0.638 0.144) 9.025 ======================= Grid point 75 (68/161) ======================= q-point: ( 0.16 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -5.969 18.973 -0.000) 19.889 1.223 ( -0.119 23.056 -0.000) 23.056 1.978 ( -21.046 27.358 -0.000) 34.516 2.346 ( -4.760 -5.736 0.000) 7.454 2.560 ( 0.265 -6.085 0.000) 6.090 2.892 ( -0.686 -5.360 0.000) 5.404 4.444 ( 7.312 4.464 -0.000) 8.567 4.507 ( -0.674 0.211 -0.000) 0.706 4.715 ( -27.481 -12.399 0.000) 30.148 4.898 ( 1.508 12.559 -0.000) 12.649 7.326 ( 14.294 10.957 -0.000) 18.010 7.362 ( -4.878 3.138 -0.000) 5.800 7.658 ( 32.750 -0.338 -0.000) 32.751 8.039 ( -15.640 0.508 0.000) 15.648 9.285 ( -34.410 -12.574 0.000) 36.636 10.212 ( 0.596 -3.911 0.000) 3.956 11.259 ( -24.212 -6.962 0.000) 25.193 11.998 ( -11.977 -4.242 0.000) 12.706 13.000 ( 3.817 -7.368 0.000) 8.298 14.636 ( 3.890 18.799 -0.000) 19.197 16.684 ( 13.052 -2.503 0.000) 13.290 18.336 ( 0.847 -6.294 0.000) 6.351 19.020 ( 24.944 11.347 -0.000) 27.403 20.448 ( -13.590 -8.409 0.000) 15.981 ======================= Grid point 76 (69/161) ======================= q-point: (-0.09 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -22.618 -0.000 -12.910) 26.044 0.841 ( -13.762 -0.000 -23.894) 27.574 1.214 ( -35.327 -0.000 -18.231) 39.754 2.445 ( -4.890 0.000 3.749) 6.162 2.644 ( 2.880 0.000 5.111) 5.866 2.883 ( -0.052 0.000 7.686) 7.686 3.951 ( 6.923 -0.000 -0.546) 6.944 4.520 ( 2.192 0.000 5.612) 6.025 4.573 ( -6.487 -0.000 -3.325) 7.290 5.285 ( -18.258 0.000 4.157) 18.725 6.554 ( 11.185 -0.000 -1.405) 11.273 7.315 ( -3.065 -0.000 -3.087) 4.350 7.757 ( 30.370 -0.000 -4.334) 30.677 8.020 ( -11.191 0.000 1.437) 11.283 9.261 ( -28.976 0.000 20.300) 35.379 10.855 ( -5.203 -0.000 -31.619) 32.045 11.603 ( 1.255 -0.000 -3.180) 3.419 11.829 ( -51.883 0.000 45.152) 68.779 13.542 ( 7.970 0.000 1.271) 8.070 14.048 ( -0.128 0.000 1.976) 1.980 16.799 ( 11.147 0.000 -0.546) 11.160 17.638 ( -0.035 -0.000 -0.496) 0.497 19.331 ( 33.375 -0.000 -35.905) 49.021 20.793 ( -10.539 0.000 14.774) 18.148 ======================= Grid point 77 (70/161) ======================= q-point: (-0.34 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.308 -11.554 -12.468) 17.154 1.627 ( -8.322 -11.865 -12.831) 19.356 2.086 ( -5.426 -7.127 0.641) 8.980 2.246 ( -5.116 2.483 3.453) 6.653 2.422 ( -2.924 -2.632 -0.521) 3.969 2.792 ( -0.265 -1.730 2.208) 2.818 4.119 ( 4.867 -5.172 4.916) 8.637 4.566 ( -26.402 4.081 -0.586) 26.722 4.743 ( -3.818 -2.389 2.795) 5.301 4.891 ( 6.794 -4.204 3.723) 8.814 6.994 ( 15.113 -12.202 6.139) 20.371 7.481 ( -5.906 -2.379 -3.414) 7.224 7.719 ( 24.299 2.007 0.420) 24.385 8.029 ( -20.077 -2.241 0.823) 20.218 8.829 ( -27.602 2.205 9.089) 29.144 11.003 ( -2.226 17.382 -16.111) 23.804 11.120 ( -20.286 3.795 1.029) 20.663 11.864 ( -2.744 -1.409 -5.145) 5.999 13.125 ( 1.907 8.202 3.060) 8.959 14.562 ( 2.945 -20.797 4.504) 21.482 16.720 ( 12.719 3.546 -1.343) 13.272 18.177 ( 2.941 -10.218 -1.387) 10.723 19.391 ( 13.887 14.751 -6.098) 21.158 20.344 ( -8.863 3.415 2.831) 9.911 ======================= Grid point 78 (71/161) ======================= q-point: ( 0.41 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.437 10.468 -1.507) 10.673 2.015 ( 3.771 -4.751 -0.087) 6.066 2.074 ( -2.224 6.415 0.082) 6.790 2.211 ( -3.232 -3.456 -2.265) 5.246 2.536 ( -3.515 -7.613 1.123) 8.460 2.862 ( 0.482 7.324 0.164) 7.342 4.307 ( 5.387 -3.660 -3.772) 7.527 4.381 ( -40.784 -0.248 -0.183) 40.785 4.596 ( 5.933 -0.843 3.269) 6.826 5.243 ( 0.983 -0.966 0.176) 1.389 7.298 ( 16.229 -4.527 -2.639) 17.054 7.495 ( -2.877 0.147 1.805) 3.400 7.683 ( 19.780 0.456 0.341) 19.788 8.125 ( -25.228 0.235 0.468) 25.234 8.802 ( -28.312 -5.716 0.011) 28.883 10.430 ( 1.112 11.769 1.487) 11.915 11.089 ( -17.132 -1.740 -0.171) 17.221 11.955 ( -2.688 2.951 -6.242) 7.409 12.877 ( 1.729 -1.112 5.166) 5.560 15.093 ( 6.226 -3.283 3.152) 7.711 16.634 ( 11.832 0.530 -0.051) 11.844 18.284 ( 1.073 8.959 -8.909) 12.680 19.094 ( 9.327 -4.975 6.258) 12.284 20.287 ( -5.256 -0.710 -0.220) 5.308 ======================= Grid point 79 (72/161) ======================= q-point: ( 0.28 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.022 -2.900 -0.970) 3.058 2.010 ( 3.061 3.364 6.381) 7.836 2.200 ( 7.325 -5.323 -6.614) 11.213 2.429 ( -4.179 1.937 0.935) 4.700 2.629 ( 4.581 -3.788 4.207) 7.283 3.073 ( 11.812 4.236 -1.188) 12.605 4.264 ( 6.104 6.866 -2.061) 9.416 4.534 ( 6.681 -2.807 -2.897) 7.804 4.952 ( -2.826 11.835 -2.068) 12.343 6.046 ( -18.392 -2.762 5.179) 19.306 6.402 ( -15.455 11.710 -3.838) 19.766 7.264 ( 28.216 -11.818 -3.230) 30.761 8.302 ( 11.279 7.013 5.173) 14.253 9.465 ( 16.285 9.335 5.750) 19.632 10.107 ( 14.989 0.847 -1.654) 15.104 10.757 ( 2.975 -14.982 -9.711) 18.100 12.151 ( 8.656 5.471 5.090) 11.435 12.641 ( -1.221 1.550 3.084) 3.661 13.428 ( 44.133 -12.576 -1.633) 45.919 14.374 ( -10.847 4.688 -0.538) 11.828 15.674 ( -14.336 -2.678 -0.010) 14.584 17.947 ( -8.126 3.134 0.056) 8.709 18.473 ( -7.577 -2.772 3.451) 8.775 20.211 ( -13.479 -1.644 -1.028) 13.618 ======================= Grid point 81 (73/161) ======================= q-point: (-0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 10.287 -2.266 0.000) 10.534 1.833 ( 1.735 -5.991 0.000) 6.237 2.556 ( -2.581 1.235 -0.000) 2.861 2.702 ( 14.708 13.719 -0.000) 20.113 2.750 ( -5.685 6.339 -0.000) 8.514 3.005 ( 12.843 -0.763 -0.000) 12.865 3.832 ( 9.641 -15.001 0.000) 17.832 4.420 ( -4.954 -10.386 0.000) 11.507 4.919 ( 11.773 4.605 -0.000) 12.642 5.881 ( -14.895 -12.691 0.000) 19.568 5.949 ( -20.011 1.058 0.000) 20.039 7.691 ( 7.593 -11.874 0.000) 14.094 8.042 ( 30.611 14.828 -0.000) 34.013 8.933 ( 14.217 -3.877 0.000) 14.736 10.481 ( 6.143 4.377 -0.000) 7.543 11.415 ( 15.057 9.918 -0.000) 18.030 11.517 ( -1.112 -13.447 0.000) 13.493 12.598 ( -3.416 3.717 -0.000) 5.048 14.070 ( 33.357 9.405 -0.000) 34.657 14.128 ( -2.070 -5.033 0.000) 5.442 15.926 ( -12.166 7.126 -0.000) 14.100 17.749 ( -4.211 -8.716 0.000) 9.680 18.271 ( -3.299 0.981 -0.000) 3.441 20.380 ( -18.527 2.515 -0.000) 18.696 ======================= Grid point 82 (74/161) ======================= q-point: (-0.47 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.532 -1.326 -6.589) 7.182 1.919 ( 12.002 1.510 -0.399) 12.103 2.344 ( 0.585 4.782 4.065) 6.303 2.440 ( -3.795 -0.272 2.345) 4.469 2.545 ( 0.074 -0.784 -3.123) 3.220 3.092 ( 10.500 -2.899 0.592) 10.909 4.311 ( 7.966 -5.640 2.033) 9.971 4.576 ( 6.695 5.510 0.892) 8.716 4.999 ( -2.229 -10.364 1.994) 10.787 5.954 ( -20.214 -0.380 -3.164) 20.464 6.467 ( -16.745 -9.697 2.010) 19.454 7.302 ( 28.382 14.149 0.591) 31.719 8.314 ( 14.165 -12.584 4.940) 19.581 9.303 ( 15.048 -10.803 -8.288) 20.293 10.175 ( 7.623 3.290 4.421) 9.407 10.813 ( 13.663 19.029 -3.649) 23.708 12.155 ( 7.376 -10.674 5.190) 13.974 12.545 ( -3.610 -3.497 -5.727) 7.620 13.461 ( 44.092 14.065 1.296) 46.299 14.374 ( -10.949 -4.131 -0.390) 11.708 15.674 ( -13.774 2.936 -0.025) 14.083 17.992 ( -9.379 -3.366 4.119) 10.783 18.363 ( -5.285 -0.608 -6.298) 8.244 20.233 ( -14.072 2.565 0.836) 14.328 ======================= Grid point 83 (75/161) ======================= q-point: ( 0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.526 0.383 -0.000) 0.651 1.928 ( -9.616 2.969 -0.000) 10.064 2.238 ( 5.573 -4.068 0.000) 6.900 2.462 ( -8.678 0.406 0.000) 8.687 2.664 ( 2.654 6.407 -0.000) 6.935 3.116 ( -11.802 -1.439 0.000) 11.890 4.357 ( -6.766 -3.287 0.000) 7.522 4.464 ( -4.884 -3.684 0.000) 6.118 5.097 ( 2.923 -3.488 0.000) 4.551 6.014 ( 20.825 8.010 -0.000) 22.313 6.502 ( 16.007 -6.814 0.000) 17.397 7.120 ( -29.325 -3.446 0.000) 29.527 8.684 ( -19.178 8.507 -0.000) 20.980 9.411 ( -14.119 10.411 -0.000) 17.542 10.168 ( 4.835 -0.613 0.000) 4.873 10.334 ( -21.701 -16.902 0.000) 27.506 12.496 ( 8.870 6.128 -0.000) 10.781 12.510 ( -10.970 3.277 -0.000) 11.449 13.267 ( -49.274 -2.452 0.000) 49.335 14.404 ( 12.038 -0.643 -0.000) 12.055 15.644 ( 14.632 0.131 -0.000) 14.632 18.092 ( 14.786 -1.497 0.000) 14.861 18.343 ( 0.934 5.950 -0.000) 6.023 20.197 ( 13.221 -1.340 0.000) 13.289 ======================= Grid point 84 (76/161) ======================= q-point: ( 0.15 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -6.056 2.588 -9.768) 11.781 1.942 ( -9.317 1.618 0.637) 9.478 2.418 ( 7.681 -2.466 3.689) 8.871 2.450 ( -4.492 -4.744 5.123) 8.302 2.637 ( -1.170 -6.962 -3.954) 8.092 3.030 ( -11.311 2.332 1.047) 11.597 4.110 ( -9.199 12.894 2.427) 16.024 4.646 ( 0.286 6.757 1.409) 6.908 4.775 ( -6.158 2.089 4.444) 7.877 5.970 ( 19.175 -1.205 -4.221) 19.671 6.180 ( 15.741 15.632 2.129) 22.287 7.664 ( -28.778 -19.028 1.284) 34.524 8.007 ( -11.028 15.699 -0.190) 19.187 9.111 ( -14.062 7.522 -6.298) 17.146 10.267 ( -8.901 -5.022 7.044) 12.412 11.186 ( -9.779 -15.688 -1.308) 18.533 11.853 ( -6.362 16.205 -0.411) 17.414 12.569 ( 2.195 -4.329 -5.432) 7.284 13.770 ( -39.210 -14.151 2.827) 41.782 14.256 ( 6.445 6.593 0.095) 9.220 15.766 ( 12.639 -5.645 0.666) 13.859 17.885 ( 7.664 6.814 3.147) 10.727 18.371 ( 5.775 -1.244 -8.685) 10.503 20.296 ( 15.798 -3.252 1.481) 16.197 ======================= Grid point 85 (77/161) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.709 -0.000 -3.845) 3.910 1.905 ( -8.041 -0.000 -12.379) 14.762 2.246 ( 2.471 0.000 10.283) 10.576 2.634 ( 8.959 0.000 7.702) 11.814 2.697 ( -15.097 0.000 4.369) 15.716 3.145 ( -13.365 -0.000 -3.166) 13.735 3.590 ( -10.893 0.000 1.227) 10.962 4.199 ( 2.508 0.000 3.575) 4.367 4.745 ( -10.361 0.000 7.077) 12.547 5.688 ( 14.250 0.000 1.871) 14.372 6.291 ( 13.577 -0.000 -15.593) 20.675 7.644 ( -3.531 -0.000 -3.012) 4.641 8.117 ( -33.185 0.000 10.042) 34.671 8.971 ( -15.234 -0.000 -2.893) 15.506 10.265 ( -13.741 0.000 3.211) 14.111 11.392 ( 7.639 -0.000 -1.069) 7.713 11.599 ( 6.190 0.000 2.158) 6.556 12.938 ( -12.781 -0.000 -11.891) 17.457 13.998 ( -36.077 0.000 5.660) 36.519 14.026 ( -0.626 0.000 1.700) 1.811 15.890 ( 13.443 0.000 2.533) 13.680 17.653 ( -0.091 -0.000 -0.379) 0.390 18.689 ( 14.623 -0.000 -12.163) 19.020 20.324 ( 16.449 0.000 3.102) 16.739 ======================= Grid point 86 (78/161) ======================= q-point: (-0.35 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.098 1.867 6.571) 6.832 2.081 ( 4.833 -0.061 -4.788) 6.804 2.204 ( -1.127 2.100 2.119) 3.189 2.531 ( 2.507 1.500 -5.407) 6.146 2.768 ( -14.677 0.334 -2.479) 14.889 2.916 ( -15.392 -2.574 3.942) 16.096 4.007 ( -5.624 -12.169 1.271) 13.465 4.515 ( -5.056 0.081 3.184) 5.975 4.591 ( 1.249 -13.596 2.505) 13.881 5.993 ( 13.308 -13.840 2.529) 19.366 6.381 ( 15.725 9.415 -9.634) 20.706 7.374 ( -29.386 11.527 9.216) 32.884 8.266 ( -9.596 -15.991 -8.469) 20.482 9.349 ( -16.119 -10.545 -1.895) 19.355 10.107 ( -17.810 4.031 -0.508) 18.267 10.816 ( 9.092 17.398 10.988) 22.496 12.060 ( -6.366 -13.875 -3.830) 15.739 12.877 ( -3.370 10.967 -6.128) 13.007 13.641 ( -43.171 10.869 2.028) 44.564 14.215 ( 5.126 -7.586 1.256) 9.241 15.745 ( 14.768 3.860 0.142) 15.265 17.858 ( 6.700 -6.861 -0.922) 9.634 18.680 ( 11.923 8.552 -3.882) 15.177 20.218 ( 13.456 1.535 1.359) 13.611 ======================= Grid point 91 (79/161) ======================= q-point: (-0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.623 -1.016 0.000) 1.192 1.913 ( -2.416 -12.689 0.000) 12.917 2.233 ( -5.500 12.381 -0.000) 13.547 2.458 ( 0.887 1.777 -0.000) 1.986 3.128 ( 14.092 5.235 -0.000) 15.032 3.381 ( 2.944 -1.072 0.000) 3.133 4.424 ( -0.640 -7.453 0.000) 7.480 4.538 ( -2.699 -14.458 0.000) 14.708 5.062 ( -7.015 4.433 -0.000) 8.298 5.525 ( 8.964 8.648 -0.000) 12.456 5.613 ( -8.594 -14.512 0.000) 16.866 8.168 ( -0.807 16.818 -0.000) 16.837 8.452 ( 7.615 -26.097 0.000) 27.185 9.491 ( 10.114 -4.849 0.000) 11.216 10.393 ( -2.157 11.729 -0.000) 11.925 11.122 ( -13.931 3.141 -0.000) 14.281 12.144 ( 5.143 -26.750 0.000) 27.240 12.680 ( 11.046 18.475 -0.000) 21.525 14.065 ( -2.267 -0.371 0.000) 2.297 15.098 ( 16.620 5.178 -0.000) 17.408 15.464 ( -5.053 9.587 -0.000) 10.837 17.678 ( -2.154 -0.733 0.000) 2.275 18.268 ( 2.668 -1.352 0.000) 2.991 19.636 ( -9.834 0.804 0.000) 9.867 ======================= Grid point 92 (80/161) ======================= q-point: (-0.61 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 4.420 4.081 -1.113) 6.118 1.919 ( -7.422 -3.830 -2.833) 8.819 2.205 ( 3.679 4.271 -0.228) 5.642 2.317 ( -4.476 -4.050 3.586) 7.021 3.156 ( 9.269 -2.416 0.684) 9.603 3.427 ( 2.776 -0.310 -0.549) 2.847 4.508 ( 1.598 2.054 1.585) 3.047 4.814 ( 5.158 1.123 -3.271) 6.210 5.057 ( 2.774 3.716 2.592) 5.313 5.364 ( -10.527 -4.607 -2.925) 11.857 5.979 ( -6.471 0.687 -0.185) 6.510 7.750 ( 4.494 0.776 -0.656) 4.608 8.856 ( 2.744 -1.649 18.128) 18.409 9.962 ( 4.617 -3.566 -1.398) 5.999 10.208 ( -0.784 0.442 -23.309) 23.326 10.916 ( 6.282 7.137 6.581) 11.563 12.140 ( -4.074 -3.619 0.368) 5.461 12.812 ( 3.005 -0.492 2.508) 3.945 14.074 ( -3.265 0.048 -0.102) 3.267 14.886 ( 22.146 -0.471 -0.020) 22.151 15.228 ( -7.494 0.776 0.064) 7.534 17.691 ( -3.525 0.030 0.176) 3.530 18.325 ( -0.358 -0.716 -0.187) 0.822 19.609 ( -8.533 0.158 0.035) 8.534 ======================= Grid point 93 (81/161) ======================= q-point: ( 0.14 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 418 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -1.633 6.690 0.580) 6.911 2.076 ( 4.368 -6.091 -8.904) 11.639 2.178 ( -1.600 3.416 11.215) 11.833 2.251 ( -4.080 -5.547 -3.960) 7.944 3.243 ( 9.903 -1.519 4.024) 10.796 3.343 ( 0.297 -0.355 -1.535) 1.603 4.294 ( 2.811 9.721 -1.898) 10.296 4.606 ( 0.787 12.554 -0.859) 12.608 5.045 ( 9.246 -7.889 -5.622) 13.391 5.539 ( -9.399 -3.105 6.479) 11.830 5.595 ( -7.416 13.394 -0.440) 15.316 8.227 ( 6.063 -14.869 -4.985) 16.814 8.300 ( 0.756 12.539 4.786) 13.443 9.615 ( 3.015 10.286 2.427) 10.990 10.571 ( 6.598 -2.326 3.487) 7.817 10.862 ( -5.659 -6.765 -9.338) 12.845 12.109 ( 1.526 25.229 1.652) 25.329 12.827 ( 1.681 -19.822 3.056) 20.127 14.062 ( -1.938 0.585 -0.171) 2.032 15.134 ( 18.765 -5.863 1.640) 19.728 15.385 ( -4.904 -7.678 -2.426) 9.428 17.674 ( -1.681 0.597 -0.009) 1.784 18.318 ( -1.974 0.294 1.515) 2.506 19.628 ( -9.035 -0.705 -0.281) 9.067 ======================= Grid point 94 (82/161) ======================= q-point: (-0.11 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -3.518 0.000 0.735) 3.594 1.844 ( 3.453 0.000 10.021) 10.599 2.377 ( -2.383 -0.000 -7.627) 7.991 2.556 ( -5.840 -0.000 -1.045) 5.933 3.342 ( 3.580 -0.000 -1.180) 3.770 3.392 ( 2.741 0.000 -0.181) 2.747 3.997 ( 2.118 -0.000 -5.402) 5.802 4.271 ( 5.696 0.000 4.584) 7.312 5.210 ( -8.778 -0.000 -0.668) 8.803 5.313 ( -8.604 0.000 7.896) 11.678 5.657 ( 14.875 -0.000 -10.351) 18.122 7.725 ( 2.035 0.000 0.436) 2.081 8.780 ( -1.005 0.000 7.479) 7.547 9.378 ( 6.494 0.000 0.799) 6.543 10.805 ( 6.305 -0.000 -10.120) 11.923 11.137 ( -3.246 -0.000 -0.113) 3.248 11.263 ( -9.610 0.000 1.694) 9.759 13.185 ( 10.302 0.000 5.377) 11.620 14.050 ( -0.530 -0.000 -0.243) 0.583 15.216 ( 12.194 0.000 1.018) 12.237 15.685 ( -2.015 -0.000 -3.333) 3.895 17.655 ( 0.189 0.000 0.050) 0.196 18.260 ( 1.298 0.000 2.128) 2.492 19.653 ( -10.304 -0.000 -0.256) 10.307 ======================= Grid point 95 (83/161) ======================= q-point: (-0.24 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -15.469 -2.493 -9.145) 18.143 1.603 ( -8.363 -5.948 -17.651) 20.418 2.146 ( -14.803 -4.592 -5.332) 16.390 2.369 ( 2.215 3.745 5.590) 7.084 2.524 ( -10.225 1.028 3.355) 10.810 2.765 ( -2.438 -2.797 5.913) 6.981 3.824 ( 11.017 -7.211 2.719) 13.445 4.456 ( 3.057 -11.625 5.478) 13.210 4.589 ( 5.075 1.102 0.733) 5.245 5.725 ( -46.542 7.664 6.291) 47.587 6.420 ( 15.172 -11.278 4.082) 19.341 7.320 ( 17.016 4.765 -4.052) 18.129 7.553 ( -5.285 -5.043 -6.273) 9.628 8.351 ( -19.384 -4.912 -0.496) 20.003 9.434 ( -26.089 3.488 10.151) 28.211 11.397 ( -3.391 12.956 -11.095) 17.391 11.615 ( -7.852 1.911 0.533) 8.098 12.042 ( -24.699 1.161 -0.463) 24.731 13.256 ( 1.261 7.378 3.979) 8.477 14.146 ( 1.140 -12.904 3.162) 13.335 16.483 ( 17.211 3.629 -1.523) 17.655 17.820 ( 2.609 -13.559 0.903) 13.837 19.309 ( 19.353 8.903 -17.291) 27.437 20.589 ( -2.428 4.898 7.257) 9.086 ======================= Grid point 96 (84/161) ======================= q-point: (-0.49 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.454 -6.168 -4.543) 7.674 1.848 ( -1.064 7.539 -2.421) 7.989 2.176 ( 1.539 1.982 -4.468) 5.124 2.310 ( -7.643 1.144 6.415) 10.044 2.459 ( -6.215 -8.032 3.304) 10.680 2.863 ( 3.262 -0.665 -2.503) 4.165 4.121 ( 1.540 -6.810 0.462) 6.997 4.492 ( 5.498 1.006 1.217) 5.720 5.042 ( 2.182 -12.814 0.693) 13.017 5.400 ( -51.205 2.988 0.959) 51.301 6.826 ( 15.267 -9.880 0.533) 18.193 7.124 ( 22.494 2.452 3.266) 22.862 7.873 ( -15.972 -0.400 -5.403) 16.866 8.622 ( -27.026 -4.317 0.241) 27.369 9.226 ( -24.680 -2.779 2.558) 24.968 10.719 ( 5.174 19.764 -0.357) 20.433 11.520 ( -28.183 -1.879 1.571) 28.289 12.129 ( -8.310 5.082 -10.096) 14.029 12.871 ( 1.500 4.264 5.421) 7.058 14.741 ( 8.068 -13.666 3.387) 16.227 16.365 ( 17.695 2.615 -0.623) 17.898 18.348 ( 7.126 -2.195 -10.160) 12.602 18.887 ( 10.674 9.369 5.890) 15.375 20.377 ( -3.127 0.745 0.759) 3.303 ======================= Grid point 97 (85/161) ======================= q-point: ( 0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -3.686 12.636 -0.000) 13.162 1.579 ( 1.740 12.704 -0.000) 12.823 2.348 ( -7.270 -6.852 0.000) 9.990 2.352 ( -0.329 -4.346 0.000) 4.358 2.721 ( -3.475 9.768 -0.000) 10.368 2.803 ( -4.337 -6.175 0.000) 7.546 4.213 ( 9.091 2.705 -0.000) 9.485 4.494 ( 0.815 -1.621 0.000) 1.815 5.114 ( 1.992 9.814 -0.000) 10.014 5.462 ( -54.827 -7.321 0.000) 55.314 6.967 ( 30.592 -0.207 -0.000) 30.592 7.186 ( 14.151 1.298 -0.000) 14.210 7.713 ( -14.555 8.638 -0.000) 16.925 8.501 ( -21.297 6.349 -0.000) 22.223 9.650 ( -30.958 -15.539 0.000) 34.639 10.196 ( -0.673 2.018 -0.000) 2.127 11.638 ( -24.576 0.053 0.000) 24.576 12.151 ( -14.804 -6.586 0.000) 16.203 12.784 ( 5.867 -3.545 0.000) 6.855 14.811 ( 9.906 9.623 -0.000) 13.811 16.332 ( 17.653 -1.006 -0.000) 17.682 18.257 ( 0.065 0.945 -0.000) 0.947 18.765 ( 18.781 3.614 -0.000) 19.126 20.463 ( -3.567 -5.327 0.000) 6.411 ======================= Grid point 99 (86/161) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 16.987 0.000 0.000) 16.987 1.604 ( 16.098 0.000 0.000) 16.098 2.448 ( 25.395 0.000 0.000) 25.395 2.629 ( -2.501 -0.000 -0.000) 2.501 2.747 ( 10.727 0.000 0.000) 10.727 2.893 ( -3.010 -0.000 -0.000) 3.010 3.616 ( -5.375 -0.000 -0.000) 5.375 4.416 ( -5.527 -0.000 -0.000) 5.527 4.750 ( 9.382 0.000 0.000) 9.382 6.019 ( -14.062 -0.000 -0.000) 14.062 6.420 ( -26.296 -0.000 -0.000) 26.296 7.365 ( 51.820 0.000 0.000) 51.820 7.453 ( 5.385 0.000 0.000) 5.385 8.586 ( 15.253 0.000 0.000) 15.253 10.425 ( 3.103 0.000 0.000) 3.103 11.045 ( 31.749 0.000 0.000) 31.749 11.469 ( -4.280 -0.000 -0.000) 4.280 12.816 ( -13.013 -0.000 -0.000) 13.013 13.646 ( 21.744 0.000 0.000) 21.744 14.073 ( 0.007 0.000 0.000) 0.007 16.306 ( -15.527 -0.000 -0.000) 15.527 17.638 ( 0.222 0.000 0.000) 0.222 18.375 ( -4.743 -0.000 -0.000) 4.743 20.739 ( -13.498 -0.000 -0.000) 13.498 ======================= Grid point 100 (87/161) ======================= q-point: (-0.37 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 8.203 -6.182 -13.055) 16.611 1.665 ( 15.722 -0.109 -2.502) 15.920 2.362 ( 2.700 3.916 4.789) 6.750 2.544 ( -1.395 -4.233 3.438) 5.628 2.621 ( 3.521 6.348 0.356) 7.268 2.876 ( 2.522 -1.273 2.277) 3.628 3.978 ( 2.256 -11.578 1.169) 11.854 4.582 ( 3.932 4.011 2.307) 6.072 4.768 ( -2.790 -14.531 2.698) 15.040 6.348 ( -1.163 -0.904 2.144) 2.601 6.413 ( -14.517 -9.445 1.819) 17.414 7.039 ( 22.597 11.305 -1.522) 25.314 7.781 ( 11.393 -11.319 -2.254) 16.218 8.794 ( 17.689 -6.966 -4.658) 19.573 10.033 ( 15.285 5.010 13.867) 21.237 10.911 ( 15.433 17.149 -15.248) 27.654 11.742 ( 5.275 -10.240 -0.742) 11.542 12.571 ( 8.151 5.017 8.240) 12.629 13.121 ( 20.289 15.685 -2.851) 25.803 14.392 ( -7.024 -11.714 0.347) 13.663 16.051 ( -15.804 4.491 -0.112) 16.430 18.037 ( -7.121 -8.153 5.965) 12.359 18.535 ( -11.020 0.941 -13.461) 17.422 20.530 ( -7.212 5.451 2.587) 9.403 ======================= Grid point 101 (88/161) ======================= q-point: (-0.62 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.338 0.000 0.000) 3.338 1.924 ( 2.871 0.000 0.000) 2.871 2.034 ( 1.245 0.000 0.000) 1.245 2.489 ( 1.427 -0.000 -0.000) 1.427 2.604 ( -1.869 0.000 0.000) 1.869 2.904 ( 8.865 0.000 0.000) 8.865 4.234 ( 4.373 0.000 0.000) 4.373 4.436 ( -0.249 0.000 0.000) 0.249 5.144 ( -2.753 0.000 0.000) 2.753 6.378 ( 45.263 -0.000 0.000) 45.263 6.434 ( -22.473 0.000 0.000) 22.473 6.882 ( -17.014 -0.000 0.000) 17.014 8.091 ( 15.763 0.000 0.000) 15.763 9.173 ( 23.422 0.000 0.000) 23.422 9.778 ( 20.676 0.000 0.000) 20.676 10.488 ( 2.381 0.000 0.000) 2.381 12.062 ( 6.791 0.000 0.000) 6.791 12.324 ( 43.478 0.000 0.000) 43.478 12.796 ( -5.026 0.000 0.000) 5.026 14.694 ( -13.776 0.000 0.000) 13.776 15.971 ( -17.712 0.000 0.000) 17.712 18.097 ( -3.941 -0.000 0.000) 3.941 18.652 ( -13.255 0.000 0.000) 13.255 20.371 ( -4.484 0.000 0.000) 4.484 ======================= Grid point 105 (89/161) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.408 4.538 9.631) 10.915 1.890 ( 12.062 -3.197 -4.153) 13.151 2.257 ( -2.790 1.942 1.273) 3.630 2.384 ( 2.274 -3.739 -3.046) 5.332 2.997 ( -15.826 -5.441 1.353) 16.790 3.314 ( -9.576 6.201 -0.904) 11.445 3.953 ( -10.611 -6.934 -1.444) 12.758 4.255 ( -1.566 -10.596 3.299) 11.208 4.789 ( -11.146 3.618 5.100) 12.780 5.482 ( 12.234 -9.646 1.512) 15.653 6.279 ( 16.892 10.142 -14.683) 24.573 7.921 ( -5.001 -12.691 -2.947) 13.956 8.215 ( -17.789 7.705 11.741) 22.664 9.390 ( -9.379 -8.237 -1.985) 12.639 10.506 ( -12.875 4.202 -3.976) 14.115 10.970 ( 8.072 14.563 7.625) 18.313 11.712 ( 3.754 -20.392 -2.653) 20.903 13.189 ( -3.127 10.227 -3.965) 11.406 14.050 ( 0.594 -2.911 0.705) 3.054 14.680 ( -40.316 5.318 -0.155) 40.666 15.579 ( 9.326 3.310 1.403) 9.995 17.685 ( 1.493 -2.224 -0.215) 2.687 18.544 ( 12.489 2.527 -3.811) 13.300 19.921 ( 17.571 0.772 0.924) 17.612 ======================= Grid point 106 (90/161) ======================= q-point: ( 0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.015 -1.216 0.000) 1.584 2.042 ( -1.164 -2.028 0.000) 2.338 2.125 ( 4.702 2.851 -0.000) 5.499 2.539 ( 3.602 2.333 -0.000) 4.291 3.014 ( -16.397 6.963 -0.000) 17.814 3.278 ( -10.051 -4.078 0.000) 10.847 4.312 ( -4.957 -9.365 0.000) 10.596 4.581 ( -9.354 1.204 -0.000) 9.431 4.839 ( 1.984 -14.168 0.000) 14.306 5.869 ( 17.294 12.627 -0.000) 21.413 6.016 ( 11.408 -12.256 0.000) 16.744 7.584 ( -16.822 5.465 -0.000) 17.688 8.946 ( -9.021 -13.381 0.000) 16.138 9.795 ( -10.459 -4.132 0.000) 11.245 10.078 ( 9.835 13.254 -0.000) 16.504 10.488 ( -18.520 -5.226 0.000) 19.243 12.575 ( -7.201 -14.068 0.000) 15.804 12.581 ( 6.448 16.678 -0.000) 17.881 14.169 ( 7.272 -2.026 0.000) 7.549 14.315 ( -43.497 9.080 -0.000) 44.434 15.418 ( 10.635 2.375 -0.000) 10.897 17.808 ( 8.528 -2.323 0.000) 8.839 18.408 ( 4.204 4.321 -0.000) 6.029 19.880 ( 16.514 0.270 -0.000) 16.516 ======================= Grid point 107 (91/161) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -3.852 -0.923 -4.272) 5.826 2.044 ( 0.598 -3.062 3.859) 4.963 2.237 ( 5.833 0.266 -3.393) 6.753 2.350 ( 4.232 -0.340 3.920) 5.779 2.787 ( -18.633 0.477 -3.279) 18.925 3.285 ( -8.215 2.288 0.035) 8.528 4.451 ( -5.321 3.675 3.385) 7.299 4.728 ( -7.216 -3.043 -0.888) 7.882 4.977 ( -0.758 7.623 3.425) 8.391 5.596 ( 15.571 -0.758 -4.342) 16.183 6.128 ( 16.116 9.334 1.041) 18.654 7.721 ( -14.019 -13.132 0.128) 19.209 8.560 ( -10.326 13.095 9.544) 19.215 9.567 ( -11.668 12.030 -9.668) 19.347 10.272 ( -2.644 -4.984 -3.399) 6.586 11.019 ( -5.376 -12.850 4.945) 14.781 12.246 ( -2.277 -2.108 0.890) 3.228 12.534 ( -3.151 11.340 -3.318) 12.228 14.183 ( 7.810 1.520 -0.160) 7.958 14.334 ( -40.572 -9.768 0.574) 41.735 15.444 ( 9.404 -3.948 0.456) 10.209 17.805 ( 8.356 1.803 1.249) 8.639 18.308 ( 1.022 1.091 -2.720) 3.103 19.905 ( 17.501 -1.414 0.426) 17.563 ======================= Grid point 108 (92/161) ======================= q-point: ( 0.13 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 21.277 -0.000) 21.277 1.272 ( -0.000 27.577 -0.000) 27.577 1.688 ( -0.000 35.507 -0.000) 35.507 2.297 ( 0.000 -6.238 0.000) 6.238 2.566 ( 0.000 -6.912 0.000) 6.912 2.884 ( 0.000 -6.093 0.000) 6.093 4.195 ( 0.000 -7.426 0.000) 7.426 4.502 ( -0.000 1.048 -0.000) 1.048 4.778 ( 0.000 -2.933 0.000) 2.933 4.914 ( -0.000 12.267 -0.000) 12.267 7.308 ( -0.000 2.198 -0.000) 2.198 7.498 ( -0.000 7.081 -0.000) 7.081 7.857 ( 0.000 -2.717 0.000) 2.717 8.144 ( -0.000 1.254 -0.000) 1.254 8.788 ( 0.000 -13.867 0.000) 13.867 10.235 ( 0.000 -4.265 0.000) 4.265 10.921 ( -0.000 0.561 -0.000) 0.561 11.897 ( -0.000 1.260 -0.000) 1.260 13.038 ( 0.000 -7.924 0.000) 7.924 14.676 ( -0.000 19.853 -0.000) 19.853 16.827 ( 0.000 -3.013 0.000) 3.013 18.344 ( 0.000 -6.784 0.000) 6.784 19.368 ( 0.000 -1.806 0.000) 1.806 20.223 ( -0.000 0.064 -0.000) 0.064 ======================= Grid point 109 (93/161) ======================= q-point: (-0.12 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 -0.000 -20.215) 20.215 0.484 ( 0.000 -0.000 -22.072) 22.072 0.898 ( 0.000 -0.000 -40.350) 40.350 2.385 ( -0.000 0.000 5.278) 5.278 2.689 ( -0.000 0.000 4.113) 4.113 2.882 ( -0.000 0.000 8.504) 8.504 4.022 ( 0.000 -0.000 -1.170) 1.170 4.378 ( 0.000 -0.000 -0.990) 0.990 4.542 ( -0.000 0.000 5.809) 5.809 5.357 ( -0.000 0.000 5.290) 5.290 6.680 ( 0.000 -0.000 -2.864) 2.864 7.281 ( 0.000 -0.000 -2.354) 2.354 7.898 ( -0.000 0.000 2.311) 2.311 8.127 ( 0.000 -0.000 -1.022) 1.022 8.929 ( -0.000 0.000 23.087) 23.087 10.817 ( 0.000 -0.000 -31.439) 31.439 10.887 ( -0.000 0.000 1.293) 1.293 11.615 ( 0.000 -0.000 -3.432) 3.432 13.638 ( -0.000 0.000 5.281) 5.281 14.047 ( -0.000 0.000 2.034) 2.034 16.931 ( 0.000 -0.000 -1.660) 1.660 17.638 ( 0.000 -0.000 -0.516) 0.516 20.222 ( 0.000 -0.000 -0.036) 0.036 20.255 ( 0.000 -0.000 -0.682) 0.682 ======================= Grid point 110 (94/161) ======================= q-point: (-0.37 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 -11.801 -16.380) 20.188 1.454 ( 0.000 -19.602 -7.525) 20.997 2.028 ( 0.000 -9.797 -4.888) 10.949 2.181 ( -0.000 1.596 5.220) 5.459 2.400 ( 0.000 -0.731 -1.925) 2.059 2.793 ( -0.000 -1.757 2.726) 3.243 4.176 ( 0.000 -4.665 4.319) 6.358 4.196 ( -0.000 8.623 -0.037) 8.623 4.762 ( 0.000 -8.085 2.808) 8.559 5.006 ( -0.000 0.423 4.597) 4.616 7.204 ( 0.000 -14.334 4.534) 15.034 7.386 ( 0.000 -1.155 -3.366) 3.559 7.778 ( -0.000 1.736 3.382) 3.802 8.179 ( 0.000 -0.841 -1.264) 1.518 8.350 ( -0.000 4.138 12.745) 13.400 10.884 ( -0.000 -1.204 1.366) 1.821 10.995 ( 0.000 18.808 -21.917) 28.881 11.840 ( 0.000 -1.357 -5.019) 5.199 13.145 ( -0.000 8.529 3.724) 9.307 14.592 ( 0.000 -21.992 4.969) 22.547 16.857 ( -0.000 3.915 -1.018) 4.045 18.206 ( 0.000 -10.177 -1.753) 10.327 19.557 ( -0.000 19.482 -1.992) 19.584 20.224 ( 0.000 -0.046 -0.036) 0.058 ======================= Grid point 111 (95/161) ======================= q-point: ( 0.38 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.000 11.232 -1.292) 11.306 2.001 ( 0.000 -5.061 0.055) 5.061 2.105 ( -0.000 6.069 -0.053) 6.069 2.178 ( 0.000 -5.456 -4.442) 7.036 2.497 ( 0.000 -6.659 0.649) 6.690 2.871 ( -0.000 11.103 2.138) 11.307 3.932 ( 0.000 -0.820 -0.003) 0.820 4.366 ( 0.000 -3.694 -5.559) 6.675 4.671 ( -0.000 -2.469 4.658) 5.271 5.253 ( 0.000 -0.909 0.163) 0.924 7.414 ( -0.000 1.940 0.072) 1.941 7.584 ( 0.000 -3.630 -1.493) 3.925 7.734 ( 0.000 -1.978 -0.106) 1.981 8.200 ( -0.000 0.752 0.037) 0.753 8.252 ( 0.000 -7.417 1.937) 7.665 10.442 ( -0.000 12.634 0.624) 12.650 10.915 ( 0.000 -0.723 -0.000) 0.723 11.928 ( 0.000 2.901 -5.969) 6.636 12.893 ( -0.000 -1.501 5.285) 5.494 15.156 ( 0.000 -3.702 3.448) 5.059 16.759 ( -0.000 0.366 0.028) 0.367 18.295 ( -0.000 9.894 -9.135) 13.467 19.192 ( 0.000 -6.584 5.832) 8.796 20.226 ( -0.000 0.018 0.000) 0.018 ======================= Grid point 112 (96/161) ======================= q-point: ( 0.25 0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.975 -4.405 -3.111) 5.743 2.032 ( -0.589 3.976 2.020) 4.499 2.221 ( -2.888 -4.305 -5.818) 7.793 2.337 ( -5.063 2.628 5.470) 7.903 2.885 ( 17.815 -4.050 5.072) 18.961 3.282 ( 8.507 3.234 -0.156) 9.102 4.377 ( 4.816 5.357 -3.086) 7.836 4.709 ( 10.250 -2.365 -3.060) 10.955 4.905 ( -1.773 10.989 -2.627) 11.437 5.708 ( -15.396 -4.021 5.596) 16.867 6.091 ( -14.626 10.761 -2.325) 18.306 7.697 ( 15.350 -11.792 -2.563) 19.525 8.480 ( 6.522 7.793 3.990) 10.917 9.724 ( 9.767 10.384 4.732) 15.021 10.368 ( 11.608 1.840 4.835) 12.709 10.792 ( -0.106 -9.665 -16.412) 19.047 12.303 ( 5.984 -2.745 6.085) 8.965 12.594 ( -1.726 4.609 2.045) 5.329 14.183 ( -7.882 1.766 -0.193) 8.079 14.321 ( 41.942 -9.154 -0.479) 42.932 15.432 ( -10.020 -3.171 -0.571) 10.526 17.788 ( -7.167 1.788 -0.142) 7.388 18.367 ( -3.438 -1.084 2.324) 4.289 19.894 ( -17.057 -0.962 -0.540) 17.093 ======================= Grid point 114 (97/161) ======================= q-point: (-0.25 0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.933 -1.221 0.000) 6.057 1.753 ( -7.018 -9.342 0.000) 11.684 2.504 ( -2.275 0.967 -0.000) 2.472 2.616 ( -7.414 8.543 -0.000) 11.311 3.023 ( 16.026 13.448 -0.000) 20.920 3.248 ( 10.034 0.360 -0.000) 10.041 4.062 ( 11.971 -13.786 0.000) 18.258 4.328 ( -4.248 -10.978 0.000) 11.772 5.163 ( 10.776 6.438 -0.000) 12.553 5.584 ( -14.585 -11.141 0.000) 18.354 5.630 ( -10.383 1.734 -0.000) 10.527 7.834 ( 6.618 -16.094 0.000) 17.401 8.445 ( 10.722 15.307 -0.000) 18.688 9.194 ( 12.067 -2.805 0.000) 12.389 10.600 ( 4.924 8.869 -0.000) 10.145 11.457 ( -8.879 5.090 -0.000) 10.234 11.515 ( 1.246 -21.545 0.000) 21.581 12.714 ( 13.280 8.582 -0.000) 15.812 14.089 ( -1.866 -2.077 0.000) 2.792 14.731 ( 30.696 5.413 -0.000) 31.170 15.730 ( -6.931 6.473 -0.000) 9.483 17.688 ( -2.108 -3.300 0.000) 3.916 18.225 ( -0.986 -0.443 0.000) 1.081 19.980 ( -20.360 1.203 0.000) 20.395 ======================= Grid point 116 (98/161) ======================= q-point: ( 0.37 -0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.554 4.396 -0.000) 4.431 1.782 ( -2.859 9.170 -0.000) 9.605 2.286 ( -0.868 -6.189 0.000) 6.250 2.318 ( -4.630 -2.194 0.000) 5.123 2.776 ( 6.151 3.415 -0.000) 7.036 2.865 ( -12.745 -4.966 0.000) 13.678 4.234 ( -4.554 -1.169 0.000) 4.702 4.425 ( 0.743 -2.223 0.000) 2.344 5.157 ( 2.964 -2.434 0.000) 3.835 6.371 ( -45.152 -3.717 0.000) 45.305 6.466 ( 24.701 5.986 -0.000) 25.416 6.813 ( 14.497 -8.258 0.000) 16.683 8.276 ( -21.226 7.964 -0.000) 22.671 9.070 ( -20.208 6.847 -0.000) 21.336 9.873 ( -24.608 -14.669 0.000) 28.648 10.263 ( 4.653 6.813 -0.000) 8.250 12.302 ( -9.560 4.169 -0.000) 10.430 12.333 ( -43.304 -4.353 0.000) 43.522 12.647 ( 6.301 2.874 -0.000) 6.925 14.653 ( 12.606 -1.608 0.000) 12.708 15.971 ( 17.869 0.772 -0.000) 17.886 18.366 ( 1.375 9.221 -0.000) 9.323 18.408 ( 16.591 -3.455 0.000) 16.946 20.378 ( 4.677 -1.933 0.000) 5.061 ======================= Grid point 118 (99/161) ======================= q-point: (-0.13 -0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -12.305 -0.000 -4.004) 12.940 1.719 ( -9.873 -0.000 -14.418) 17.475 2.296 ( 1.172 0.000 6.184) 6.294 2.437 ( -10.526 0.000 2.470) 10.812 2.766 ( 1.543 0.000 5.162) 5.388 2.842 ( -16.311 -0.000 -2.930) 16.572 3.519 ( 5.505 0.000 3.521) 6.535 4.262 ( 3.446 0.000 5.100) 6.155 4.597 ( -4.046 0.000 4.771) 6.256 5.977 ( 14.894 0.000 1.564) 14.976 6.440 ( -5.968 -0.000 -4.160) 7.275 7.432 ( -26.765 0.000 2.346) 26.867 7.568 ( -4.034 -0.000 -4.170) 5.802 8.645 ( -17.346 -0.000 -1.830) 17.443 9.938 ( -19.690 0.000 7.058) 20.917 11.531 ( 6.159 -0.000 -2.405) 6.612 11.647 ( -1.605 -0.000 -4.488) 4.766 12.606 ( -22.524 -0.000 -3.397) 22.779 13.453 ( -15.852 0.000 6.157) 17.005 14.013 ( -0.656 0.000 2.256) 2.350 16.191 ( 16.532 0.000 1.022) 16.564 17.652 ( -0.044 -0.000 -0.518) 0.520 19.017 ( 18.264 -0.000 -17.030) 24.972 20.575 ( 8.350 0.000 5.749) 10.138 ======================= Grid point 119 (100/161) ======================= q-point: (-0.38 -0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.343 -1.184 1.724) 2.119 2.078 ( -5.676 -0.319 -6.370) 8.538 2.198 ( 0.707 5.046 -3.738) 6.319 2.445 ( -7.701 2.973 2.649) 8.670 2.548 ( -12.171 -1.838 3.491) 12.795 2.764 ( 2.535 -3.080 -0.033) 3.989 3.923 ( -2.088 -12.668 0.816) 12.865 4.455 ( -0.023 1.615 2.428) 2.916 4.640 ( 2.920 -17.530 2.078) 17.893 6.245 ( 6.763 -10.846 2.827) 13.090 6.437 ( -22.793 2.451 -4.049) 23.280 6.930 ( 3.247 11.530 5.120) 13.027 8.047 ( -12.027 -11.058 -7.427) 17.947 8.966 ( -22.026 -9.623 -0.798) 24.049 9.709 ( -22.182 4.073 1.717) 22.618 10.997 ( 8.633 19.048 5.158) 21.539 11.879 ( -13.037 -7.078 -1.082) 14.874 12.627 ( -24.305 7.853 -11.014) 27.815 13.057 ( -10.214 9.702 5.952) 15.293 14.316 ( 4.825 -12.667 2.200) 13.732 16.073 ( 17.901 3.788 -0.639) 18.309 18.000 ( 7.343 -11.168 -1.684) 13.471 18.942 ( 14.158 14.004 -4.435) 20.401 20.402 ( 4.696 2.021 2.087) 5.522 ======================= Grid point 124 (101/161) ======================= q-point: (-0.39 0.39 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -2.931 1.941 -0.000) 3.516 1.910 ( 2.321 -9.356 0.000) 9.639 2.176 ( -0.712 7.395 -0.000) 7.429 2.486 ( 1.954 -0.860 0.000) 2.134 3.294 ( 1.502 4.609 -0.000) 4.848 3.352 ( -6.071 -3.884 0.000) 7.207 4.307 ( -9.642 -5.249 0.000) 10.978 4.501 ( -0.832 -15.459 0.000) 15.482 4.856 ( -11.387 4.119 -0.000) 12.110 5.570 ( 3.898 -14.701 0.000) 15.209 5.806 ( 16.821 12.902 -0.000) 21.199 8.057 ( -10.114 13.995 -0.000) 17.267 8.548 ( 1.864 -26.903 0.000) 26.967 9.649 ( 4.415 -7.505 0.000) 8.707 10.362 ( 0.382 16.212 -0.000) 16.216 10.816 ( -16.206 2.175 -0.000) 16.351 12.210 ( 1.341 -25.241 0.000) 25.276 12.862 ( 6.643 19.166 -0.000) 20.285 14.055 ( 1.359 -0.711 0.000) 1.534 15.188 ( -19.430 6.456 -0.000) 20.475 15.330 ( 3.531 7.083 -0.000) 7.914 17.677 ( 1.932 -0.631 0.000) 2.032 18.352 ( 5.873 0.499 -0.000) 5.894 19.621 ( 8.214 0.572 -0.000) 8.234 ======================= Grid point 127 (102/161) ======================= q-point: (-0.14 -0.61 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 9.444 -0.000 -1.480) 9.560 1.897 ( 1.891 0.000 9.959) 10.136 2.333 ( -1.998 -0.000 -7.975) 8.222 2.431 ( -6.594 0.000 3.534) 7.482 3.226 ( -11.801 0.000 2.234) 12.011 3.453 ( 0.365 -0.000 -1.502) 1.546 3.997 ( -1.532 -0.000 -5.047) 5.275 4.277 ( -6.537 0.000 4.135) 7.735 5.076 ( -12.782 0.000 7.484) 14.812 5.172 ( 5.675 0.000 0.679) 5.715 6.035 ( 19.920 -0.000 -15.545) 25.268 7.748 ( 0.311 -0.000 -0.411) 0.515 8.660 ( -10.881 0.000 12.017) 16.211 9.422 ( -2.370 -0.000 -0.793) 2.499 10.779 ( -8.625 -0.000 -8.657) 12.220 11.132 ( 2.949 0.000 0.066) 2.950 11.219 ( 5.180 0.000 3.335) 6.160 13.317 ( 2.789 0.000 0.355) 2.811 14.036 ( -0.860 0.000 0.263) 0.899 15.281 ( -8.887 -0.000 -1.112) 8.957 15.565 ( -6.913 0.000 0.802) 6.960 17.658 ( 0.111 -0.000 -0.059) 0.126 18.351 ( 7.915 -0.000 -1.231) 8.010 19.640 ( 8.790 0.000 0.250) 8.794 ======================= Grid point 128 (103/161) ======================= q-point: (-0.27 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -10.714 -7.557 -14.765) 19.746 1.378 ( -15.754 -11.597 -14.634) 24.430 1.881 ( -9.281 -8.974 -20.147) 23.928 2.297 ( -7.648 1.752 7.025) 10.531 2.449 ( 1.301 4.185 4.361) 6.183 2.729 ( -0.666 -4.276 9.391) 10.341 4.017 ( 7.097 -4.207 2.449) 8.607 4.503 ( 1.650 -11.166 5.988) 12.777 4.623 ( -15.350 0.813 -1.849) 15.482 5.028 ( -6.007 8.855 6.304) 12.419 6.727 ( 14.536 -11.756 2.887) 18.916 7.430 ( -4.720 -2.000 -4.992) 7.155 7.768 ( 23.384 2.287 0.406) 23.499 7.991 ( -15.276 -1.474 2.329) 15.523 8.879 ( -28.598 2.205 11.171) 30.782 11.156 ( -23.304 3.436 8.222) 24.950 11.393 ( -5.329 14.738 -22.938) 27.780 11.803 ( -2.745 -4.642 -7.658) 9.367 13.312 ( 3.044 8.642 6.356) 11.151 14.165 ( 0.713 -15.317 3.895) 15.820 16.796 ( 12.961 3.350 -2.198) 13.566 17.864 ( 1.676 -16.534 1.513) 16.688 19.706 ( 20.144 12.266 -13.529) 27.190 20.448 ( -11.332 6.268 6.538) 14.507 ======================= Grid point 129 (104/161) ======================= q-point: (-0.52 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.390 -7.113 -10.154) 12.475 1.869 ( 1.046 3.717 -0.243) 3.869 2.118 ( -7.068 -5.678 -0.297) 9.071 2.184 ( -2.956 1.119 -0.245) 3.170 2.405 ( -1.007 -3.698 6.428) 7.484 2.933 ( 3.606 -0.521 -4.051) 5.449 4.182 ( 2.910 -7.115 0.240) 7.690 4.449 ( -38.070 5.828 -0.072) 38.513 4.617 ( 5.895 2.594 2.822) 7.032 5.093 ( 1.589 -12.780 1.477) 12.962 7.137 ( 16.472 -10.164 1.549) 19.417 7.514 ( 3.265 1.527 0.612) 3.656 7.697 ( 12.157 0.707 -0.670) 12.196 8.084 ( -26.132 -3.685 0.603) 26.398 8.714 ( -26.664 -2.403 2.524) 26.891 10.801 ( 2.964 21.096 -4.438) 21.761 11.065 ( -16.433 0.245 0.580) 16.445 12.024 ( -3.096 3.450 -9.450) 10.526 12.895 ( 0.799 2.724 6.650) 7.230 14.867 ( 4.456 -16.804 4.443) 17.944 16.670 ( 11.823 2.801 -0.452) 12.158 18.460 ( 3.949 0.876 -13.446) 14.041 19.071 ( 7.108 8.444 9.045) 14.270 20.284 ( -5.036 0.320 0.322) 5.057 ======================= Grid point 130 (105/161) ======================= q-point: ( 0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -2.186 16.873 -0.000) 17.014 1.684 ( 7.410 19.927 -0.000) 21.260 2.211 ( -5.558 -6.904 0.000) 8.863 2.345 ( -1.076 -1.329 0.000) 1.710 2.565 ( -9.758 14.966 -0.000) 17.866 2.736 ( -2.356 -9.225 0.000) 9.521 4.453 ( -25.510 -3.657 0.000) 25.771 4.505 ( 0.458 -6.811 0.000) 6.827 4.516 ( 1.046 0.648 -0.000) 1.230 5.145 ( 1.059 9.522 -0.000) 9.580 7.423 ( -2.448 2.359 -0.000) 3.399 7.443 ( 11.746 -0.003 -0.000) 11.746 7.657 ( 26.651 0.427 -0.000) 26.655 8.076 ( -20.201 2.849 -0.000) 20.401 9.017 ( -32.342 -12.166 0.000) 34.555 10.198 ( 0.864 3.807 -0.000) 3.904 11.155 ( -20.729 -3.616 0.000) 21.042 11.980 ( -4.469 1.572 -0.000) 4.738 12.869 ( 2.775 -4.953 0.000) 5.678 14.970 ( 5.733 11.343 -0.000) 12.709 16.642 ( 12.350 -1.330 0.000) 12.422 18.259 ( 0.081 0.648 -0.000) 0.653 19.115 ( 15.197 -1.241 -0.000) 15.247 20.332 ( -8.255 -3.320 0.000) 8.898 ======================= Grid point 132 (106/161) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 11.180 0.000 0.000) 11.180 1.762 ( -0.402 -0.000 -0.000) 0.402 2.569 ( -2.862 -0.000 -0.000) 2.862 2.819 ( -4.532 -0.000 -0.000) 4.532 2.894 ( 19.010 0.000 0.000) 19.010 3.000 ( 14.048 0.000 0.000) 14.048 3.630 ( 7.394 0.000 0.000) 7.394 4.304 ( -5.531 -0.000 -0.000) 5.531 4.971 ( 12.791 0.000 0.000) 12.791 5.739 ( -14.119 -0.000 -0.000) 14.119 5.961 ( -19.846 -0.000 -0.000) 19.846 7.560 ( 5.180 0.000 0.000) 5.180 8.214 ( 31.908 0.000 0.000) 31.908 8.887 ( 14.786 0.000 0.000) 14.786 10.531 ( 7.850 0.000 0.000) 7.850 11.365 ( -6.010 -0.000 -0.000) 6.010 11.522 ( 13.039 0.000 0.000) 13.039 12.640 ( -1.491 -0.000 -0.000) 1.491 14.071 ( -0.179 -0.000 -0.000) 0.179 14.172 ( 30.445 0.000 0.000) 30.445 16.014 ( -13.259 -0.000 -0.000) 13.259 17.643 ( 0.289 0.000 0.000) 0.289 18.282 ( -4.236 -0.000 -0.000) 4.236 20.408 ( -19.521 -0.000 -0.000) 19.521 ======================= Grid point 134 (107/161) ======================= q-point: (-0.65 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -1.148 0.000 0.000) 1.148 2.067 ( 2.080 0.000 -0.000) 2.080 2.122 ( 10.098 0.000 0.000) 10.098 2.455 ( -3.692 0.000 -0.000) 3.692 2.584 ( 3.211 0.000 0.000) 3.211 3.123 ( 11.538 0.000 0.000) 11.538 4.330 ( 4.737 0.000 0.000) 4.737 4.509 ( 7.318 0.000 0.000) 7.318 5.086 ( -2.896 0.000 0.000) 2.896 6.013 ( -19.647 0.000 0.000) 19.647 6.542 ( -17.205 0.000 0.000) 17.205 7.126 ( 29.665 -0.000 0.000) 29.665 8.371 ( 11.937 0.000 0.000) 11.937 9.580 ( 17.184 0.000 0.000) 17.184 10.146 ( 16.493 0.000 0.000) 16.493 10.554 ( 4.189 -0.000 0.000) 4.189 12.188 ( 4.728 0.000 0.000) 4.728 12.706 ( -3.058 0.000 0.000) 3.058 13.263 ( 49.507 0.000 0.000) 49.507 14.425 ( -12.860 0.000 0.000) 12.860 15.646 ( -14.629 0.000 0.000) 14.629 17.978 ( -8.016 0.000 0.000) 8.016 18.444 ( -7.189 0.000 0.000) 7.189 20.193 ( -13.081 0.000 0.000) 13.081 ======================= Grid point 138 (108/161) ======================= q-point: (-0.28 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.881 4.800 6.439) 8.532 2.043 ( 1.286 -3.859 -4.077) 5.759 2.242 ( 0.918 1.884 -2.412) 3.195 2.511 ( 11.133 -2.839 0.412) 11.497 2.675 ( -15.559 -5.527 2.574) 16.711 3.041 ( -16.706 10.532 -0.376) 19.752 3.743 ( -9.312 -12.319 0.513) 15.451 4.262 ( 1.602 -11.599 2.502) 11.973 4.595 ( -7.994 2.336 3.888) 9.191 5.746 ( 14.010 -8.762 1.905) 16.634 6.576 ( 11.972 8.427 -15.789) 21.532 7.615 ( -27.670 9.869 11.738) 31.635 7.932 ( -7.911 -13.596 -1.480) 15.799 9.132 ( -16.057 -9.075 -1.635) 18.517 10.208 ( -17.267 4.433 -1.335) 17.877 11.162 ( 10.355 15.282 5.903) 19.381 11.767 ( 1.343 -13.722 -1.903) 13.919 13.082 ( -8.084 7.642 -7.735) 13.549 13.826 ( -41.641 6.401 2.892) 42.229 14.064 ( 0.439 -6.110 1.349) 6.272 15.821 ( 14.702 3.058 0.516) 15.025 17.722 ( 2.193 -5.383 -0.342) 5.823 18.838 ( 16.825 5.802 -6.216) 18.852 20.249 ( 14.048 1.226 2.004) 14.243 ======================= Grid point 139 (109/161) ======================= q-point: ( 0.47 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.113 -1.011 0.000) 2.342 2.029 ( -0.255 5.725 -0.000) 5.730 2.193 ( 1.927 -0.852 0.000) 2.107 2.511 ( -10.354 4.418 -0.000) 11.257 2.762 ( -2.667 2.872 -0.000) 3.920 3.024 ( -14.929 -7.246 0.000) 16.595 4.218 ( -4.656 -9.262 0.000) 10.367 4.438 ( -4.513 1.040 -0.000) 4.632 4.898 ( 3.637 -14.263 0.000) 14.719 6.232 ( 19.298 12.156 -0.000) 22.807 6.267 ( 13.081 -14.049 0.000) 19.196 7.128 ( -29.576 3.522 -0.000) 29.785 8.691 ( -16.207 -8.589 0.000) 18.342 9.513 ( -17.365 -2.317 0.000) 17.519 10.100 ( -20.461 -4.331 0.000) 20.915 10.301 ( 11.684 14.040 -0.000) 18.265 12.389 ( -11.527 -11.909 0.000) 16.573 12.688 ( 4.308 11.620 -0.000) 12.393 13.385 ( -47.138 10.696 -0.000) 48.336 14.340 ( 9.491 -5.219 0.000) 10.831 15.674 ( 15.121 2.600 -0.000) 15.343 18.014 ( 11.892 -5.686 0.000) 13.181 18.508 ( 5.783 9.538 -0.000) 11.154 20.186 ( 12.893 0.268 -0.000) 12.896 ======================= Grid point 145 (110/161) ======================= q-point: ( 0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.469 -4.979 -4.169) 7.883 1.970 ( -5.184 0.240 3.704) 6.376 2.194 ( 0.866 -1.114 -6.150) 6.310 2.247 ( -3.626 2.578 6.057) 7.515 3.183 ( 9.477 -3.099 2.586) 10.301 3.391 ( 2.265 3.466 -0.137) 4.143 4.443 ( 1.743 4.482 -1.769) 5.124 4.868 ( 1.024 9.859 1.388) 10.009 4.919 ( 5.985 -2.847 -5.027) 8.319 5.455 ( -8.718 -3.770 3.467) 10.111 5.867 ( -6.584 10.318 -0.653) 12.257 7.891 ( 4.656 -12.154 -0.982) 13.053 8.563 ( 2.012 8.020 1.528) 8.409 9.853 ( 3.221 10.329 1.715) 10.954 10.573 ( 8.664 2.877 10.856) 14.184 10.741 ( -4.763 -4.181 -15.687) 16.919 12.374 ( 1.379 -18.094 3.339) 18.451 12.588 ( 0.495 15.704 0.142) 15.712 14.072 ( -2.973 0.309 -0.063) 2.990 14.981 ( 22.307 -7.644 0.664) 23.590 15.264 ( -7.952 -3.630 -1.013) 8.800 17.685 ( -2.808 0.366 -0.023) 2.832 18.325 ( -0.972 0.265 0.771) 1.269 19.614 ( -8.673 -0.510 -0.162) 8.689 ======================= Grid point 147 (111/161) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.138 -11.298 0.000) 11.499 1.727 ( 2.792 -0.110 -0.000) 2.795 2.465 ( -7.633 8.858 -0.000) 11.693 2.467 ( -1.463 -0.340 0.000) 1.502 3.291 ( 10.185 8.749 -0.000) 13.426 3.359 ( 0.462 -1.020 0.000) 1.119 4.251 ( 5.463 -8.083 0.000) 9.756 4.255 ( -2.996 -10.962 0.000) 11.364 5.166 ( -9.342 4.441 -0.000) 10.344 5.335 ( -8.955 -10.596 0.000) 13.873 5.702 ( 15.903 7.607 -0.000) 17.629 7.947 ( 4.614 -19.814 0.000) 20.344 8.511 ( -3.080 14.051 -0.000) 14.384 9.405 ( 8.561 -3.161 0.000) 9.126 10.665 ( 2.098 14.458 -0.000) 14.609 11.191 ( -15.710 2.840 -0.000) 15.965 11.570 ( 4.051 -26.725 0.000) 27.031 12.998 ( 13.032 10.971 -0.000) 17.035 14.057 ( -1.314 -0.361 0.000) 1.363 15.178 ( 12.926 2.557 -0.000) 13.177 15.648 ( -3.232 6.960 -0.000) 7.674 17.662 ( -0.533 -0.648 0.000) 0.839 18.244 ( 3.220 -0.852 0.000) 3.330 19.651 ( -10.387 0.523 0.000) 10.401 ======================= Grid point 149 (112/161) ======================= q-point: ( 0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 1.162 8.568 -0.000) 8.646 1.840 ( 7.589 11.463 -0.000) 13.748 2.210 ( -6.332 -5.667 0.000) 8.497 2.262 ( -1.483 -3.206 0.000) 3.532 2.643 ( -8.898 -9.049 0.000) 12.691 2.865 ( 2.043 3.721 -0.000) 4.245 4.221 ( 4.000 -2.176 0.000) 4.553 4.472 ( 3.409 -0.391 0.000) 3.432 5.209 ( 2.135 -1.747 0.000) 2.758 5.368 ( -53.457 -1.585 0.000) 53.481 6.990 ( 27.660 2.774 -0.000) 27.799 7.085 ( 12.982 -9.900 0.000) 16.327 7.874 ( -18.258 6.060 -0.000) 19.237 8.618 ( -24.723 3.453 -0.000) 24.963 9.360 ( -27.030 -11.388 0.000) 29.331 10.349 ( 3.802 13.002 -0.000) 13.546 11.583 ( -31.689 -4.381 0.000) 31.991 12.141 ( -6.441 4.330 -0.000) 7.761 12.746 ( 3.697 0.040 -0.000) 3.697 14.886 ( 10.380 -3.019 0.000) 10.810 16.331 ( 17.693 0.993 -0.000) 17.720 18.395 ( 1.511 12.685 -0.000) 12.775 18.731 ( 15.377 -6.449 0.000) 16.674 20.388 ( -3.132 -2.022 0.000) 3.728 ======================= Grid point 151 (113/161) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -17.042 -0.000 -8.968) 19.258 1.529 ( -10.048 -0.000 -16.917) 19.676 2.092 ( -17.656 -0.000 -11.495) 21.068 2.424 ( 4.440 0.000 6.375) 7.769 2.539 ( -13.103 0.000 2.537) 13.346 2.721 ( -3.911 0.000 9.128) 9.931 3.738 ( 13.290 0.000 1.414) 13.365 4.327 ( 2.911 0.000 6.411) 7.041 4.601 ( 4.393 0.000 0.763) 4.459 5.822 ( -45.838 0.000 9.215) 46.755 6.281 ( 15.687 0.000 0.721) 15.704 7.386 ( 15.507 -0.000 -5.974) 16.618 7.487 ( -3.999 -0.000 -5.134) 6.508 8.293 ( -17.678 -0.000 0.307) 17.681 9.475 ( -26.679 0.000 10.435) 28.648 11.546 ( -8.602 -0.000 -7.789) 11.604 11.633 ( 4.020 -0.000 -3.709) 5.469 12.054 ( -30.385 -0.000 1.603) 30.427 13.344 ( 1.687 0.000 5.930) 6.165 14.001 ( -0.535 0.000 2.690) 2.742 16.530 ( 17.049 0.000 -1.118) 17.085 17.652 ( 0.007 -0.000 -0.637) 0.637 19.408 ( 20.872 -0.000 -19.678) 28.686 20.648 ( -1.005 0.000 8.868) 8.925 ======================= Grid point 152 (114/161) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -4.071 -4.908 -6.769) 9.299 1.976 ( -3.141 2.751 -7.241) 8.359 2.139 ( -7.435 -3.214 -2.166) 8.385 2.323 ( -6.325 -0.855 2.248) 6.767 2.374 ( -2.636 0.822 8.847) 9.268 2.826 ( 1.818 -3.097 -3.062) 4.720 3.945 ( 4.180 -9.158 1.541) 10.184 4.522 ( 6.481 1.632 1.707) 6.898 4.699 ( 3.047 -18.166 2.551) 18.596 5.498 ( -50.132 5.803 1.716) 50.496 6.578 ( 15.410 -12.211 3.248) 19.929 7.229 ( 19.310 6.357 0.249) 20.330 7.808 ( -11.360 -5.233 -5.730) 13.757 8.492 ( -25.143 -7.329 0.261) 26.191 9.230 ( -25.814 2.616 3.086) 26.129 11.132 ( 3.549 17.158 0.741) 17.537 11.521 ( -20.214 2.545 1.237) 20.411 12.237 ( -12.018 5.074 -13.992) 19.130 12.987 ( -0.797 6.306 6.833) 9.332 14.402 ( 3.748 -17.214 3.291) 17.922 16.435 ( 17.900 3.915 -1.118) 18.357 18.139 ( 6.406 -14.899 -2.666) 16.435 19.226 ( 13.874 19.307 -3.689) 24.059 20.408 ( -3.522 2.082 2.345) 4.716 ======================= Grid point 157 (115/161) ======================= q-point: (-0.43 -0.57 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.950 2.718 -0.000) 3.345 2.000 ( 6.369 -2.050 0.000) 6.691 2.177 ( 0.211 1.834 -0.000) 1.846 2.537 ( 3.136 -2.752 0.000) 4.172 3.148 ( -13.828 -7.814 0.000) 15.884 3.165 ( -13.764 7.669 -0.000) 15.756 4.122 ( -7.868 -8.174 0.000) 11.345 4.506 ( 1.139 -16.326 0.000) 16.365 4.646 ( -9.262 4.326 -0.000) 10.222 5.725 ( 10.651 -14.319 0.000) 17.846 6.154 ( 17.815 14.508 -0.000) 22.975 7.764 ( -19.748 11.015 -0.000) 22.612 8.520 ( -4.639 -24.673 0.000) 25.105 9.616 ( -7.916 -10.260 0.000) 12.959 10.454 ( 8.963 19.732 -0.000) 21.672 10.486 ( -17.120 3.432 -0.000) 17.460 12.196 ( -2.721 -20.799 0.000) 20.976 12.942 ( 1.782 16.476 -0.000) 16.572 14.112 ( 3.970 -3.318 0.000) 5.174 14.523 ( -42.649 9.533 -0.000) 43.702 15.487 ( 10.493 3.906 -0.000) 11.196 17.748 ( 5.040 -3.149 0.000) 5.943 18.504 ( 9.371 4.528 -0.000) 10.407 19.893 ( 16.720 0.827 -0.000) 16.740 ======================= Grid point 161 (116/161) ======================= q-point: (-0.18 -0.57 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 14.067 -0.000 -5.653) 15.161 1.918 ( 0.157 0.000 10.140) 10.141 2.298 ( -1.531 -0.000 -8.801) 8.933 2.321 ( -2.493 0.000 9.162) 9.496 2.929 ( -16.794 0.000 3.198) 17.096 3.391 ( -6.409 -0.000 -1.474) 6.576 3.874 ( -12.996 -0.000 -2.834) 13.301 4.137 ( -3.215 0.000 3.076) 4.449 4.830 ( -11.768 0.000 5.381) 12.940 5.376 ( 12.989 0.000 1.372) 13.061 6.404 ( 16.773 -0.000 -18.291) 24.817 7.738 ( -1.245 -0.000 -1.243) 1.759 8.341 ( -21.544 0.000 15.709) 26.663 9.290 ( -10.486 -0.000 -1.828) 10.644 10.554 ( -13.075 -0.000 -4.287) 13.760 11.244 ( 7.750 0.000 -0.112) 7.750 11.371 ( 8.609 0.000 2.438) 8.947 13.301 ( -4.014 -0.000 -3.925) 5.615 14.016 ( -1.118 0.000 0.765) 1.355 14.736 ( -39.602 -0.000 -0.208) 39.603 15.617 ( 8.889 0.000 1.671) 9.045 17.660 ( 0.056 -0.000 -0.168) 0.177 18.572 ( 14.098 -0.000 -4.282) 14.734 19.929 ( 17.802 0.000 1.014) 17.831 ======================= Grid point 162 (117/161) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 -16.271 -14.631) 21.881 1.130 ( 0.000 -14.486 -17.423) 22.658 1.800 ( 0.000 -8.893 -26.735) 28.176 2.209 ( -0.000 0.998 8.651) 8.708 2.465 ( -0.000 5.561 4.769) 7.326 2.728 ( -0.000 -4.617 10.370) 11.351 4.090 ( 0.000 -3.258 1.627) 3.642 4.347 ( -0.000 5.330 -0.932) 5.411 4.520 ( 0.000 -11.130 6.134) 12.708 5.111 ( -0.000 6.494 6.314) 9.058 6.907 ( 0.000 -12.784 1.510) 12.873 7.363 ( 0.000 -0.866 -4.110) 4.200 7.811 ( -0.000 1.302 4.076) 4.279 8.163 ( 0.000 -0.644 -1.459) 1.595 8.436 ( -0.000 3.410 16.206) 16.561 10.861 ( -0.000 -0.865 1.745) 1.948 11.349 ( 0.000 14.025 -27.443) 30.819 11.785 ( 0.000 -3.972 -6.999) 8.047 13.346 ( -0.000 9.561 7.421) 12.103 14.173 ( 0.000 -16.204 4.192) 16.738 16.937 ( -0.000 3.382 -1.926) 3.892 17.882 ( 0.000 -17.636 1.855) 17.733 20.020 ( -0.000 21.069 -4.351) 21.514 20.223 ( 0.000 -0.032 -0.047) 0.057 ======================= Grid point 163 (118/161) ======================= q-point: (-0.56 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -8.699 -1.086) 8.767 1.880 ( 0.000 4.340 -10.578) 11.434 2.042 ( 0.000 -6.750 -0.244) 6.755 2.135 ( 0.000 -2.898 0.401) 2.925 2.398 ( -0.000 -1.791 5.923) 6.188 2.981 ( 0.000 -1.324 -5.149) 5.317 4.007 ( -0.000 7.428 0.368) 7.437 4.243 ( 0.000 -6.764 -0.675) 6.798 4.685 ( -0.000 3.197 4.170) 5.254 5.111 ( 0.000 -12.152 1.833) 12.289 7.420 ( 0.000 -11.363 1.024) 11.409 7.450 ( 0.000 1.341 -1.784) 2.232 7.703 ( -0.000 -0.951 1.776) 2.014 8.143 ( -0.000 -2.586 5.108) 5.726 8.209 ( 0.000 0.055 -0.509) 0.512 10.837 ( -0.000 23.371 -6.491) 24.255 10.891 ( 0.000 -1.496 0.539) 1.590 11.994 ( 0.000 3.230 -9.179) 9.731 12.903 ( -0.000 2.288 7.170) 7.526 14.912 ( 0.000 -17.950 4.850) 18.594 16.794 ( -0.000 2.943 -0.262) 2.955 18.500 ( 0.000 2.088 -14.654) 14.802 19.145 ( -0.000 8.166 10.322) 13.162 20.226 ( 0.000 -0.015 -0.014) 0.021 ======================= Grid point 164 (119/161) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 18.502 -0.000) 18.502 1.788 ( -0.000 20.871 -0.000) 20.871 2.152 ( 0.000 -7.319 0.000) 7.319 2.304 ( -0.000 13.785 -0.000) 13.785 2.459 ( -0.000 6.121 -0.000) 6.121 2.713 ( 0.000 -9.917 0.000) 9.917 4.032 ( 0.000 -7.317 0.000) 7.317 4.527 ( -0.000 1.426 -0.000) 1.426 4.675 ( 0.000 -7.069 0.000) 7.069 5.156 ( -0.000 9.396 -0.000) 9.396 7.358 ( -0.000 2.556 -0.000) 2.556 7.623 ( -0.000 3.599 -0.000) 3.599 7.797 ( 0.000 -2.984 0.000) 2.984 8.173 ( -0.000 1.430 -0.000) 1.430 8.484 ( 0.000 -14.300 0.000) 14.300 10.214 ( -0.000 3.695 -0.000) 3.695 10.927 ( 0.000 -0.069 0.000) 0.069 11.938 ( -0.000 2.808 -0.000) 2.808 12.896 ( 0.000 -5.439 0.000) 5.439 15.029 ( -0.000 11.927 -0.000) 11.927 16.773 ( 0.000 -1.822 0.000) 1.822 18.260 ( -0.000 0.555 -0.000) 0.555 19.289 ( 0.000 -6.115 0.000) 6.115 20.225 ( -0.000 0.056 -0.000) 0.056 ======================= Grid point 166 (120/161) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.395 0.000 0.000) 6.395 1.646 ( -8.743 -0.000 -0.000) 8.743 2.512 ( -2.761 -0.000 -0.000) 2.761 2.711 ( -6.392 -0.000 -0.000) 6.392 3.211 ( 12.900 0.000 0.000) 12.900 3.254 ( 9.981 0.000 0.000) 9.981 3.872 ( 15.127 0.000 0.000) 15.127 4.203 ( -4.443 -0.000 -0.000) 4.443 5.238 ( 11.635 0.000 0.000) 11.635 5.460 ( -13.749 -0.000 -0.000) 13.749 5.649 ( -9.232 -0.000 -0.000) 9.232 7.653 ( 4.114 0.000 0.000) 4.114 8.622 ( 10.207 0.000 0.000) 10.207 9.163 ( 12.686 0.000 0.000) 12.686 10.729 ( 11.364 0.000 0.000) 11.364 11.240 ( -6.268 -0.000 -0.000) 6.268 11.512 ( -10.998 -0.000 -0.000) 10.998 12.809 ( 15.447 0.000 0.000) 15.447 14.065 ( -0.468 -0.000 -0.000) 0.468 14.788 ( 28.869 0.000 0.000) 28.869 15.805 ( -7.160 -0.000 -0.000) 7.160 17.649 ( 0.300 0.000 0.000) 0.300 18.221 ( -1.585 -0.000 -0.000) 1.585 19.993 ( -20.899 -0.000 -0.000) 20.899 ======================= Grid point 168 (121/161) ======================= q-point: (-0.69 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.209 0.000 0.000) 1.209 2.117 ( 2.958 0.000 -0.000) 2.958 2.132 ( -6.685 0.000 0.000) 6.685 2.368 ( -4.752 0.000 0.000) 4.752 2.839 ( 18.665 0.000 0.000) 18.665 3.324 ( 8.131 0.000 0.000) 8.131 4.423 ( 4.388 0.000 0.000) 4.388 4.690 ( 10.018 0.000 0.000) 10.018 5.035 ( -2.119 0.000 0.000) 2.119 5.659 ( -15.768 0.000 0.000) 15.768 6.213 ( -15.180 0.000 0.000) 15.180 7.567 ( 15.280 0.000 0.000) 15.280 8.557 ( 6.690 0.000 0.000) 6.690 9.846 ( 9.557 0.000 0.000) 9.557 10.437 ( 12.570 0.000 0.000) 12.570 10.643 ( 4.390 -0.000 0.000) 4.390 12.206 ( -2.805 0.000 0.000) 2.805 12.709 ( 3.112 0.000 -0.000) 3.112 14.202 ( -7.830 0.000 0.000) 7.830 14.211 ( 42.142 0.000 0.000) 42.142 15.398 ( -10.266 0.000 0.000) 10.266 17.807 ( -8.125 0.000 0.000) 8.125 18.355 ( -2.441 0.000 0.000) 2.441 19.883 ( -16.729 0.000 0.000) 16.729 ======================= Grid point 172 (122/161) ======================= q-point: (-0.32 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -3.632 1.662 -0.089) 3.995 1.995 ( -4.528 -6.836 -4.349) 9.282 2.257 ( 0.266 1.132 -2.757) 2.992 2.409 ( -10.459 -1.533 1.604) 10.692 2.679 ( -9.835 0.837 4.318) 10.774 2.748 ( -0.011 8.869 -1.955) 9.082 3.637 ( 0.480 -13.628 1.324) 13.700 4.305 ( 2.499 -12.190 2.946) 12.787 4.494 ( -1.510 1.157 2.991) 3.545 6.032 ( 14.518 -7.880 1.890) 16.627 6.518 ( -29.764 3.838 -5.556) 30.521 7.176 ( -2.193 11.178 5.877) 12.818 7.801 ( -6.240 -11.250 -4.728) 13.706 8.769 ( -20.133 -8.028 -0.762) 21.688 9.810 ( -22.913 4.413 1.120) 23.361 11.352 ( 7.854 14.188 3.679) 16.629 11.741 ( -4.698 -6.411 -0.073) 7.949 12.768 ( -25.016 5.160 -12.879) 28.606 13.233 ( -13.787 6.485 7.191) 16.848 14.073 ( 0.430 -9.331 1.906) 9.533 16.151 ( 18.080 3.263 -0.560) 18.381 17.770 ( 2.589 -9.379 -0.426) 9.739 19.200 ( 19.269 9.447 -8.002) 22.903 20.444 ( 5.195 1.738 3.431) 6.464 ======================= Grid point 173 (123/161) ======================= q-point: ( 0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 3.792 0.391 -0.000) 3.812 2.025 ( -0.235 13.326 -0.000) 13.328 2.199 ( -1.286 -2.358 0.000) 2.686 2.298 ( -6.953 0.591 0.000) 6.978 2.711 ( -15.868 -9.453 0.000) 18.470 2.810 ( 4.276 -0.191 -0.000) 4.280 4.136 ( -3.127 -7.960 0.000) 8.552 4.408 ( 1.314 0.355 -0.000) 1.362 4.972 ( 3.606 -14.270 0.000) 14.719 6.336 ( -35.724 -0.691 0.000) 35.731 6.584 ( 4.667 -11.506 0.000) 12.416 6.637 ( 21.459 9.817 -0.000) 23.598 8.327 ( -19.729 -3.792 0.000) 20.090 9.111 ( -22.944 -3.261 0.000) 23.175 9.673 ( -22.635 -3.712 0.000) 22.938 10.526 ( 10.715 17.542 -0.000) 20.556 12.067 ( -23.732 -10.202 0.000) 25.832 12.593 ( -27.857 12.522 -0.000) 30.541 12.754 ( 2.315 6.935 -0.000) 7.311 14.531 ( 9.341 -9.514 0.000) 13.334 16.009 ( 18.157 2.777 -0.000) 18.368 18.265 ( 12.987 -9.791 0.000) 16.265 18.635 ( 6.883 15.834 -0.000) 17.265 20.361 ( 4.428 0.204 -0.000) 4.432 ======================= Grid point 181 (124/161) ======================= q-point: (-0.33 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 8.338 -9.051 0.000) 12.307 1.756 ( 0.118 2.133 -0.000) 2.136 2.319 ( -6.867 5.777 -0.000) 8.973 2.446 ( -0.549 -2.080 0.000) 2.151 3.258 ( -10.328 -4.540 0.000) 11.282 3.407 ( 1.134 5.258 -0.000) 5.379 4.213 ( -1.136 -10.660 0.000) 10.721 4.221 ( -8.566 -2.874 0.000) 9.035 4.949 ( -11.256 3.896 -0.000) 11.911 5.288 ( 4.461 -10.901 0.000) 11.779 6.077 ( 19.991 12.004 -0.000) 23.318 8.011 ( 1.732 -21.908 0.000) 21.976 8.351 ( -12.690 12.457 -0.000) 17.783 9.502 ( 0.431 -5.974 0.000) 5.989 10.722 ( 4.712 18.343 -0.000) 18.939 10.877 ( -15.518 2.816 -0.000) 15.771 11.660 ( 4.642 -26.213 0.000) 26.620 13.187 ( 5.687 11.122 -0.000) 12.492 14.040 ( -0.295 -0.649 0.000) 0.713 15.269 ( -8.576 2.204 -0.000) 8.855 15.490 ( -7.950 6.377 -0.000) 10.192 17.664 ( 0.695 -0.488 0.000) 0.849 18.361 ( 8.616 0.323 -0.000) 8.622 19.632 ( 8.371 0.430 -0.000) 8.382 ======================= Grid point 183 (125/161) ======================= q-point: ( 0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 1.155 12.369 -0.000) 12.422 2.013 ( 8.113 10.066 -0.000) 12.929 2.071 ( -6.391 -5.935 0.000) 8.721 2.247 ( -0.294 -3.967 0.000) 3.978 2.521 ( -3.658 -11.020 0.000) 11.611 2.860 ( -1.559 10.008 -0.000) 10.129 4.368 ( -2.351 -6.869 0.000) 7.260 4.388 ( -29.573 -1.188 0.000) 29.597 4.537 ( 2.646 1.463 -0.000) 3.023 5.241 ( 1.064 -1.387 0.000) 1.748 7.343 ( 13.593 -8.564 0.000) 16.066 7.461 ( 5.649 1.604 -0.000) 5.873 7.678 ( 13.218 1.462 -0.000) 13.298 8.119 ( -24.473 0.211 0.000) 24.474 8.801 ( -29.062 -8.025 0.000) 30.149 10.410 ( 2.263 16.575 -0.000) 16.729 11.091 ( -17.315 -2.558 0.000) 17.503 12.047 ( -3.088 4.561 -0.000) 5.508 12.798 ( 1.626 -1.794 0.000) 2.422 15.050 ( 5.846 -4.321 0.000) 7.270 16.635 ( 11.765 0.745 -0.000) 11.788 18.422 ( 1.033 15.477 -0.000) 15.511 18.992 ( 10.076 -10.152 0.000) 14.304 20.290 ( -5.451 -1.011 0.000) 5.544 ======================= Grid point 185 (126/161) ======================= q-point: (-0.21 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 239 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -13.471 -0.000 -16.043) 20.949 1.218 ( -23.126 -0.000 -14.342) 27.212 1.784 ( -9.508 -0.000 -28.998) 30.517 2.314 ( -8.592 0.000 8.056) 11.778 2.526 ( 4.297 0.000 5.643) 7.093 2.655 ( -2.352 0.000 12.839) 13.053 3.965 ( 8.450 -0.000 -0.696) 8.478 4.373 ( 1.672 0.000 7.246) 7.436 4.632 ( -11.352 -0.000 -2.384) 11.600 5.138 ( -8.915 0.000 8.982) 12.655 6.585 ( 13.873 -0.000 -1.215) 13.926 7.408 ( -3.962 -0.000 -5.357) 6.664 7.797 ( 23.078 0.000 0.352) 23.081 7.972 ( -13.395 0.000 3.004) 13.728 8.905 ( -29.271 0.000 11.874) 31.588 11.200 ( -26.771 0.000 11.570) 29.164 11.610 ( -10.084 -0.000 -28.662) 30.384 11.692 ( 1.920 -0.000 -4.650) 5.031 13.419 ( 4.212 0.000 9.062) 9.993 13.992 ( -0.299 0.000 2.966) 2.981 16.839 ( 12.817 -0.000 -2.581) 13.074 17.652 ( 0.021 -0.000 -0.719) 0.719 19.837 ( 21.862 -0.000 -14.881) 26.446 20.537 ( -10.109 0.000 9.129) 13.621 ======================= Grid point 186 (127/161) ======================= q-point: (-0.46 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -1.887 -9.203 -10.625) 14.182 1.874 ( -8.320 -8.733 -9.477) 15.339 2.033 ( -1.158 2.378 2.631) 3.731 2.169 ( -8.334 -1.484 3.015) 8.986 2.384 ( 1.674 0.836 5.879) 6.169 2.834 ( -0.295 -8.844 -5.495) 10.416 4.051 ( 5.280 -4.705 1.616) 7.255 4.579 ( -28.992 5.137 -0.686) 29.451 4.679 ( -1.624 -1.886 2.930) 3.844 4.781 ( 5.316 -9.893 5.173) 12.365 6.903 ( 16.953 -11.416 2.501) 20.590 7.542 ( 0.044 0.696 -1.767) 1.900 7.714 ( 14.114 1.121 -0.470) 14.166 7.998 ( -23.083 -3.991 1.856) 23.499 8.699 ( -27.132 0.697 3.326) 27.344 11.007 ( -13.153 0.416 2.707) 13.435 11.327 ( 0.113 21.001 -7.464) 22.288 12.095 ( -3.763 3.352 -14.295) 15.157 12.983 ( 0.086 5.405 9.182) 10.655 14.460 ( 2.056 -20.295 4.166) 20.820 16.746 ( 12.228 4.325 -0.952) 13.005 18.243 ( 3.797 -17.404 -3.594) 18.172 19.466 ( 9.502 23.927 -1.428) 25.785 20.299 ( -6.158 1.151 1.304) 6.399 ======================= Grid point 191 (128/161) ======================= q-point: (-0.47 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.571 1.273 -0.000) 2.022 2.142 ( 7.282 5.042 -0.000) 8.857 2.172 ( -0.729 -1.734 0.000) 1.881 2.600 ( 1.467 1.134 -0.000) 1.854 2.831 ( -16.111 6.386 -0.000) 17.330 2.833 ( -17.077 -10.169 0.000) 19.876 3.994 ( -5.314 -11.732 0.000) 12.879 4.478 ( -4.954 0.118 0.000) 4.955 4.563 ( 2.028 -14.274 0.000) 14.417 5.964 ( 12.858 -13.839 0.000) 18.891 6.507 ( 17.725 13.895 -0.000) 22.522 7.253 ( -32.148 7.972 -0.000) 33.122 8.372 ( -9.995 -19.611 0.000) 22.012 9.362 ( -16.927 -10.218 0.000) 19.772 10.124 ( -19.668 4.721 -0.000) 20.226 10.681 ( 12.833 20.098 -0.000) 23.846 12.101 ( -7.103 -14.730 0.000) 16.353 12.948 ( -0.873 12.282 -0.000) 12.313 13.618 ( -45.534 10.400 -0.000) 46.706 14.200 ( 4.653 -7.632 0.000) 8.939 15.744 ( 15.207 3.738 -0.000) 15.659 17.870 ( 7.110 -7.507 0.000) 10.339 18.722 ( 12.435 10.212 -0.000) 16.091 20.203 ( 13.040 1.127 -0.000) 13.089 ======================= Grid point 195 (129/161) ======================= q-point: (-0.22 -0.53 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -1.257 0.000 8.000) 8.098 1.943 ( -4.449 -0.000 -4.180) 6.105 2.273 ( -0.894 -0.000 -8.918) 8.963 2.464 ( 15.036 0.000 7.244) 16.690 2.613 ( -13.879 0.000 3.478) 14.308 3.204 ( -12.297 -0.000 -2.192) 12.491 3.568 ( -14.442 -0.000 0.753) 14.462 4.133 ( 1.395 0.000 2.257) 2.653 4.621 ( -8.764 0.000 4.147) 9.695 5.651 ( 14.416 0.000 1.358) 14.480 6.680 ( 9.667 -0.000 -19.353) 21.633 7.702 ( -2.358 -0.000 -2.085) 3.147 7.802 ( -31.614 0.000 17.660) 36.213 9.025 ( -15.763 -0.000 -1.862) 15.872 10.258 ( -17.080 -0.000 -1.479) 17.143 11.414 ( 8.865 -0.000 -0.842) 8.905 11.530 ( 6.721 0.000 3.286) 7.481 13.167 ( -9.852 -0.000 -8.208) 12.823 13.896 ( -41.118 0.000 3.440) 41.262 13.992 ( -1.235 0.000 1.241) 1.751 15.856 ( 14.764 0.000 0.754) 14.783 17.661 ( 0.052 -0.000 -0.275) 0.280 18.902 ( 18.770 -0.000 -7.034) 20.045 20.263 ( 14.335 0.000 2.275) 14.514 ======================= Grid point 200 (130/161) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -2.536 -0.000 -0.000) 2.536 1.727 ( 3.688 0.000 0.000) 3.688 2.461 ( -2.306 -0.000 -0.000) 2.306 2.565 ( -8.231 -0.000 -0.000) 8.231 3.346 ( -1.436 -0.000 -0.000) 1.436 3.405 ( 6.538 0.000 0.000) 6.538 4.132 ( -2.698 -0.000 -0.000) 2.698 4.149 ( 10.388 0.000 0.000) 10.388 5.217 ( -10.286 -0.000 -0.000) 10.286 5.217 ( -9.298 -0.000 -0.000) 9.298 5.795 ( 19.626 0.000 0.000) 19.626 7.720 ( 2.528 0.000 0.000) 2.528 8.674 ( -3.821 -0.000 -0.000) 3.821 9.369 ( 7.368 0.000 0.000) 7.368 10.955 ( 11.010 0.000 0.000) 11.010 11.138 ( -3.308 -0.000 -0.000) 3.308 11.223 ( -16.089 -0.000 -0.000) 16.089 13.116 ( 13.456 0.000 0.000) 13.456 14.052 ( -0.815 -0.000 -0.000) 0.815 15.205 ( 11.905 0.000 0.000) 11.905 15.725 ( -3.082 -0.000 -0.000) 3.082 17.655 ( 0.251 0.000 0.000) 0.251 18.235 ( 3.392 0.000 0.000) 3.392 19.656 ( -10.598 -0.000 -0.000) 10.598 ======================= Grid point 202 (131/161) ======================= q-point: (-0.73 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.557 0.000 0.000) 2.557 1.986 ( -5.872 0.000 0.000) 5.872 2.183 ( 3.629 0.000 -0.000) 3.629 2.275 ( -4.358 0.000 0.000) 4.358 3.147 ( 9.363 0.000 0.000) 9.363 3.434 ( 2.848 0.000 0.000) 2.848 4.488 ( 1.759 0.000 0.000) 1.759 4.871 ( 6.726 0.000 0.000) 6.726 5.006 ( -0.762 0.000 -0.000) 0.762 5.407 ( -8.322 0.000 0.000) 8.322 5.982 ( -6.784 0.000 0.000) 6.784 7.759 ( 4.564 0.000 0.000) 4.564 8.642 ( 2.051 0.000 0.000) 2.051 9.967 ( 2.866 -0.000 0.000) 2.866 10.623 ( 5.303 0.000 0.000) 5.303 10.710 ( 1.907 -0.000 -0.000) 1.907 12.134 ( -2.785 0.000 0.000) 2.785 12.777 ( 2.345 0.000 -0.000) 2.345 14.075 ( -3.337 0.000 0.000) 3.337 14.886 ( 22.146 0.000 0.000) 22.146 15.227 ( -7.511 0.000 0.000) 7.511 17.689 ( -3.258 0.000 0.000) 3.258 18.328 ( -0.568 0.000 0.000) 0.568 19.609 ( -8.526 0.000 0.000) 8.526 ======================= Grid point 206 (132/161) ======================= q-point: (-0.36 -0.39 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -7.783 -2.577 -7.872) 11.365 1.874 ( -8.541 -7.616 -7.657) 13.769 2.207 ( -4.177 6.135 -0.020) 7.422 2.319 ( -1.731 0.374 -0.269) 1.791 2.413 ( -9.859 3.026 7.128) 12.537 2.718 ( -6.124 -7.365 -2.466) 9.891 3.777 ( 11.419 -6.039 1.484) 13.002 4.353 ( 2.108 -13.047 3.698) 13.724 4.555 ( 7.684 1.144 2.069) 8.039 5.617 ( -49.168 4.888 3.437) 49.530 6.356 ( 16.280 -8.173 1.948) 18.320 7.367 ( 14.608 6.461 -0.899) 15.998 7.683 ( -5.299 -6.141 -5.029) 9.544 8.346 ( -22.003 -5.826 0.780) 22.775 9.301 ( -27.903 3.331 2.954) 28.256 11.362 ( -12.268 5.212 6.726) 14.930 11.632 ( -0.695 6.419 -2.206) 6.823 12.338 ( -14.354 4.279 -18.128) 23.515 13.113 ( -1.934 5.070 8.748) 10.294 14.081 ( 0.336 -12.035 2.519) 12.301 16.519 ( 18.289 3.677 -1.473) 18.713 17.821 ( 2.441 -13.405 -0.489) 13.634 19.583 ( 18.582 12.955 -8.357) 24.145 20.457 ( -3.498 2.231 4.607) 6.200 ======================= Grid point 207 (133/161) ======================= q-point: ( 0.39 -0.39 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 3.570 1.295 -0.000) 3.798 2.030 ( 1.048 6.386 -0.000) 6.471 2.144 ( -4.400 -0.145 0.000) 4.402 2.243 ( -0.185 1.490 -0.000) 1.502 2.429 ( -11.313 -11.204 0.000) 15.922 2.896 ( 4.206 -0.117 -0.000) 4.208 4.117 ( 1.625 -7.535 0.000) 7.708 4.477 ( 5.069 0.735 -0.000) 5.122 5.035 ( 2.628 -14.135 0.000) 14.377 5.388 ( -51.490 3.176 0.000) 51.588 6.823 ( 13.787 -13.915 0.000) 19.589 7.084 ( 23.423 5.953 -0.000) 24.168 7.941 ( -18.077 -0.008 0.000) 18.077 8.612 ( -26.783 -3.890 0.000) 27.064 9.200 ( -24.904 -3.515 0.000) 25.151 10.716 ( 8.190 20.522 -0.000) 22.096 11.503 ( -27.990 -2.475 0.000) 28.099 12.273 ( -8.664 7.432 -0.000) 11.414 12.784 ( 0.843 3.351 -0.000) 3.455 14.699 ( 7.317 -13.797 0.000) 15.617 16.373 ( 17.704 2.895 -0.000) 17.939 18.513 ( 11.464 -13.960 0.000) 18.064 18.772 ( 6.583 22.165 -0.000) 23.122 20.370 ( -2.971 0.084 0.000) 2.972 ======================= Grid point 215 (134/161) ======================= q-point: (-0.37 -0.63 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -1.612 4.640 -0.000) 4.912 1.956 ( 15.784 -1.979 0.000) 15.908 2.197 ( -5.454 0.090 0.000) 5.455 2.450 ( 1.177 -4.311 0.000) 4.469 2.979 ( -16.655 -7.357 0.000) 18.208 3.325 ( -9.494 6.881 -0.000) 11.726 3.980 ( -13.516 -5.263 0.000) 14.504 4.209 ( 0.623 -10.765 0.000) 10.783 4.733 ( -10.298 3.382 -0.000) 10.839 5.465 ( 11.879 -9.532 0.000) 15.231 6.462 ( 18.352 13.910 -0.000) 23.028 8.003 ( -22.743 10.405 -0.000) 25.010 8.013 ( -1.473 -21.404 0.000) 21.455 9.410 ( -9.422 -8.455 0.000) 12.660 10.571 ( -15.730 3.623 -0.000) 16.142 10.869 ( 9.881 19.723 -0.000) 22.060 11.743 ( 3.471 -21.785 0.000) 22.060 13.229 ( -1.009 10.132 -0.000) 10.182 14.042 ( 0.323 -2.951 0.000) 2.968 14.684 ( -41.637 5.391 -0.000) 41.984 15.565 ( 9.783 3.076 -0.000) 10.255 17.687 ( 1.588 -2.306 0.000) 2.800 18.586 ( 13.914 3.018 -0.000) 14.237 19.910 ( 17.068 0.674 -0.000) 17.081 ======================= Grid point 218 (135/161) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 14.469 -0.000) 14.469 2.000 ( 0.000 -7.047 0.000) 7.047 2.105 ( -0.000 8.473 -0.000) 8.473 2.243 ( 0.000 -5.496 0.000) 5.496 2.486 ( 0.000 -11.252 0.000) 11.252 2.842 ( -0.000 16.219 -0.000) 16.219 3.932 ( 0.000 -1.160 0.000) 1.160 4.484 ( 0.000 -10.816 0.000) 10.816 4.565 ( -0.000 2.316 -0.000) 2.316 5.251 ( 0.000 -1.276 0.000) 1.276 7.414 ( -0.000 2.725 -0.000) 2.725 7.606 ( 0.000 -5.574 0.000) 5.574 7.736 ( 0.000 -2.783 0.000) 2.783 8.200 ( -0.000 1.066 -0.000) 1.066 8.224 ( 0.000 -9.880 0.000) 9.880 10.434 ( -0.000 17.423 -0.000) 17.423 10.915 ( 0.000 -1.022 0.000) 1.022 12.017 ( -0.000 4.645 -0.000) 4.645 12.814 ( 0.000 -2.423 0.000) 2.423 15.109 ( 0.000 -4.854 0.000) 4.854 16.759 ( -0.000 0.527 -0.000) 0.527 18.432 ( -0.000 16.566 -0.000) 16.566 19.099 ( 0.000 -12.282 0.000) 12.282 20.226 ( -0.000 0.026 -0.000) 0.026 ======================= Grid point 220 (136/161) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 -0.000 -19.471) 19.471 0.942 ( 0.000 -0.000 -20.291) 20.291 1.705 ( 0.000 -0.000 -33.753) 33.753 2.220 ( -0.000 0.000 9.854) 9.854 2.574 ( -0.000 0.000 5.966) 5.966 2.632 ( -0.000 0.000 14.103) 14.103 4.051 ( 0.000 -0.000 -1.397) 1.397 4.390 ( -0.000 0.000 7.496) 7.496 4.405 ( 0.000 -0.000 -1.330) 1.330 5.196 ( -0.000 0.000 9.183) 9.183 6.750 ( 0.000 -0.000 -3.267) 3.267 7.354 ( 0.000 -0.000 -4.339) 4.339 7.826 ( -0.000 0.000 4.278) 4.278 8.155 ( 0.000 -0.000 -1.490) 1.490 8.474 ( -0.000 0.000 17.654) 17.654 10.851 ( -0.000 0.000 1.871) 1.871 11.528 ( 0.000 -0.000 -32.715) 32.715 11.710 ( 0.000 -0.000 -4.994) 4.994 13.467 ( -0.000 0.000 10.667) 10.667 13.989 ( -0.000 0.000 3.062) 3.062 16.979 ( 0.000 -0.000 -2.619) 2.619 17.652 ( 0.000 -0.000 -0.749) 0.749 20.223 ( 0.000 -0.000 -0.051) 0.051 20.274 ( 0.000 -0.000 -0.964) 0.964 ======================= Grid point 221 (137/161) ======================= q-point: (-0.50 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 -12.107 -8.324) 14.693 1.754 ( 0.000 -12.508 -13.106) 18.117 2.049 ( -0.000 -4.028 6.793) 7.897 2.049 ( -0.000 4.491 -0.655) 4.539 2.405 ( -0.000 1.604 5.423) 5.655 2.831 ( 0.000 -11.871 -6.281) 13.430 4.129 ( 0.000 -3.659 0.473) 3.690 4.197 ( -0.000 9.451 -0.038) 9.451 4.706 ( 0.000 -9.784 2.102) 10.007 4.860 ( -0.000 -2.201 7.217) 7.545 7.150 ( 0.000 -13.226 1.044) 13.267 7.467 ( 0.000 0.307 -3.995) 4.007 7.696 ( -0.000 0.303 3.983) 3.995 8.135 ( -0.000 1.299 6.830) 6.953 8.203 ( 0.000 -0.513 -0.885) 1.023 10.857 ( 0.000 -1.679 0.984) 1.946 11.339 ( -0.000 22.546 -9.385) 24.422 12.060 ( 0.000 3.072 -14.085) 14.416 12.984 ( -0.000 5.311 10.212) 11.511 14.481 ( 0.000 -21.378 4.500) 21.847 16.876 ( -0.000 4.626 -0.675) 4.675 18.282 ( 0.000 -18.291 -3.994) 18.722 19.568 ( -0.000 26.387 0.430) 26.391 20.225 ( 0.000 -0.033 -0.025) 0.041 ======================= Grid point 226 (138/161) ======================= q-point: (-0.51 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 3.863 -0.038 -0.000) 3.863 2.155 ( -0.615 -2.963 0.000) 3.026 2.262 ( 4.138 6.084 -0.000) 7.358 2.400 ( -15.514 11.689 -0.000) 19.425 2.496 ( -16.453 -10.007 0.000) 19.258 2.776 ( 5.150 -2.642 0.000) 5.788 3.915 ( -2.170 -12.783 0.000) 12.966 4.427 ( 0.463 1.023 -0.000) 1.123 4.617 ( 2.877 -17.925 0.000) 18.155 6.213 ( 8.488 -10.832 0.000) 13.761 6.495 ( -40.027 3.208 0.000) 40.155 6.860 ( 17.917 11.230 -0.000) 21.145 8.139 ( -12.978 -12.689 0.000) 18.151 8.966 ( -22.509 -9.335 0.000) 24.368 9.697 ( -23.343 4.578 -0.000) 23.788 10.933 ( 11.860 19.679 -0.000) 22.977 11.886 ( -15.638 -7.434 0.000) 17.315 12.832 ( -30.696 10.148 -0.000) 32.330 12.917 ( -2.063 8.064 -0.000) 8.323 14.289 ( 4.196 -12.538 0.000) 13.221 16.081 ( 18.306 3.855 -0.000) 18.707 18.022 ( 7.898 -12.673 0.000) 14.932 18.988 ( 14.075 16.722 -0.000) 21.857 20.379 ( 4.373 1.260 -0.000) 4.551 ======================= Grid point 230 (139/161) ======================= q-point: (-0.26 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -9.352 -0.000 -2.957) 9.808 1.876 ( -1.982 -0.000 -0.255) 1.998 2.268 ( 0.538 -0.000 -3.282) 3.326 2.400 ( -7.423 0.000 0.970) 7.486 2.658 ( -0.190 0.000 4.238) 4.242 2.911 ( -16.914 -0.000 -3.185) 17.211 3.451 ( 5.918 0.000 2.486) 6.419 4.169 ( 2.009 0.000 3.148) 3.734 4.507 ( -1.880 0.000 3.287) 3.787 5.946 ( 15.343 0.000 1.143) 15.386 6.563 ( -30.938 -0.000 -6.336) 31.580 7.329 ( -5.232 0.000 6.082) 8.023 7.649 ( -2.862 -0.000 -2.971) 4.125 8.677 ( -19.045 -0.000 -0.983) 19.070 9.861 ( -23.175 -0.000 0.991) 23.196 11.580 ( 7.522 -0.000 -1.822) 7.739 11.597 ( -1.445 0.000 5.232) 5.428 12.825 ( -25.403 -0.000 -13.509) 28.771 13.306 ( -14.742 0.000 7.805) 16.681 13.968 ( -1.169 0.000 1.667) 2.036 16.189 ( 18.350 0.000 -0.408) 18.354 17.662 ( 0.086 -0.000 -0.375) 0.385 19.304 ( 21.266 -0.000 -9.184) 23.165 20.464 ( 5.527 0.000 4.077) 6.868 ======================= Grid point 235 (140/161) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 11.239 0.000 0.000) 11.239 1.780 ( 1.749 0.000 0.000) 1.749 2.388 ( -9.525 -0.000 -0.000) 9.525 2.422 ( -1.591 -0.000 -0.000) 1.591 3.200 ( -12.519 -0.000 -0.000) 12.519 3.470 ( 0.056 0.000 0.000) 0.056 4.096 ( -0.931 -0.000 -0.000) 0.931 4.190 ( -7.266 -0.000 -0.000) 7.266 4.994 ( -11.422 -0.000 -0.000) 11.422 5.165 ( 4.906 0.000 0.000) 4.906 6.227 ( 22.182 0.000 0.000) 22.182 7.753 ( 0.786 0.000 0.000) 0.786 8.499 ( -13.595 -0.000 -0.000) 13.595 9.431 ( -1.535 -0.000 -0.000) 1.535 10.910 ( -15.222 -0.000 -0.000) 15.222 11.131 ( 2.889 0.000 0.000) 2.889 11.160 ( 9.677 0.000 0.000) 9.677 13.306 ( 5.503 0.000 0.000) 5.503 14.033 ( -1.151 -0.000 -0.000) 1.151 15.292 ( -6.565 -0.000 -0.000) 6.565 15.560 ( -10.223 -0.000 -0.000) 10.223 17.659 ( 0.174 0.000 0.000) 0.174 18.365 ( 9.728 0.000 0.000) 9.728 19.637 ( 8.460 0.000 0.000) 8.460 ======================= Grid point 241 (141/161) ======================= q-point: (-0.40 -0.35 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -6.678 -5.338 -13.999) 16.403 1.646 ( -13.239 -10.429 -10.367) 19.787 2.105 ( -9.947 1.551 9.092) 13.565 2.172 ( -2.637 3.911 -3.107) 5.648 2.413 ( 2.820 1.518 3.867) 5.021 2.593 ( -4.770 -12.873 -3.010) 14.055 3.991 ( 8.557 -1.364 0.275) 8.669 4.386 ( 1.199 -13.240 4.398) 14.003 4.662 ( -16.499 2.099 -1.918) 16.743 4.859 ( -5.477 5.939 8.109) 11.447 6.692 ( 16.567 -7.959 0.827) 18.399 7.539 ( -3.251 -0.612 -4.550) 5.626 7.745 ( 17.099 1.669 0.977) 17.208 7.927 ( -18.321 -2.684 3.396) 18.825 8.726 ( -29.132 1.443 3.714) 29.403 11.010 ( -16.854 0.245 4.475) 17.440 11.677 ( 2.535 10.897 -5.356) 12.404 12.170 ( -4.282 3.838 -21.800) 22.546 13.103 ( 0.336 5.386 12.334) 13.463 14.086 ( 0.200 -13.872 2.993) 14.192 16.840 ( 12.731 4.173 -1.629) 13.496 17.862 ( 1.542 -16.442 -0.575) 16.524 19.909 ( 13.520 15.645 -6.025) 21.537 20.337 ( -7.481 2.577 3.771) 8.765 ======================= Grid point 242 (142/161) ======================= q-point: ( 0.35 -0.35 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 1.924 -1.081 0.000) 2.207 2.026 ( -6.286 2.819 -0.000) 6.889 2.068 ( 2.723 -2.417 0.000) 3.641 2.226 ( -2.566 -0.092 0.000) 2.567 2.293 ( -2.919 -9.791 0.000) 10.217 2.980 ( 4.340 1.640 -0.000) 4.639 4.184 ( 3.252 -9.052 0.000) 9.619 4.451 ( -37.789 5.747 -0.000) 38.223 4.580 ( 4.515 2.638 -0.000) 5.229 5.075 ( 1.370 -13.877 0.000) 13.944 7.122 ( 16.584 -11.768 0.000) 20.335 7.503 ( 8.921 2.471 -0.000) 9.257 7.708 ( 5.253 1.225 -0.000) 5.394 8.074 ( -26.433 -4.093 0.000) 26.748 8.688 ( -26.460 -2.942 0.000) 26.623 10.843 ( 4.410 21.236 -0.000) 21.689 11.060 ( -15.623 1.517 0.000) 15.697 12.161 ( -3.317 6.192 -0.000) 7.025 12.792 ( 0.142 1.102 -0.000) 1.111 14.813 ( 3.990 -16.902 0.000) 17.367 16.675 ( 11.654 3.024 -0.000) 12.040 18.701 ( 6.951 -17.349 0.000) 18.689 18.882 ( 4.155 27.008 -0.000) 27.326 20.281 ( -4.774 -0.004 0.000) 4.774 ======================= Grid point 250 (143/161) ======================= q-point: (-0.41 -0.59 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.143 5.010 -0.000) 5.012 2.099 ( -4.414 -5.463 0.000) 7.024 2.251 ( 10.645 5.562 -0.000) 12.011 2.528 ( 8.265 -6.314 0.000) 10.401 2.639 ( -16.592 -7.221 0.000) 18.095 3.046 ( -17.425 12.209 -0.000) 21.277 3.739 ( -10.003 -12.180 0.000) 15.761 4.233 ( 1.657 -11.352 0.000) 11.473 4.552 ( -7.492 2.068 -0.000) 7.773 5.725 ( 13.901 -8.274 0.000) 16.177 6.801 ( 15.805 13.357 -0.000) 20.693 7.428 ( -35.511 7.652 -0.000) 36.326 7.956 ( -4.162 -18.201 0.000) 18.671 9.148 ( -16.449 -8.821 0.000) 18.665 10.231 ( -18.926 4.462 -0.000) 19.444 11.092 ( 11.767 18.534 -0.000) 21.954 11.787 ( 0.534 -15.176 0.000) 15.185 13.169 ( -4.540 8.087 -0.000) 9.274 13.794 ( -44.970 6.000 -0.000) 45.368 14.048 ( 0.237 -6.091 0.000) 6.096 15.817 ( 15.268 2.877 -0.000) 15.537 17.726 ( 2.269 -5.548 0.000) 5.994 18.906 ( 18.001 6.669 -0.000) 19.197 20.226 ( 13.313 0.937 -0.000) 13.346 ======================= Grid point 261 (144/161) ======================= q-point: (-0.55 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.543 -2.136 0.000) 2.635 2.143 ( -9.930 5.588 -0.000) 11.394 2.166 ( 0.562 -4.731 0.000) 4.765 2.196 ( -11.944 -4.664 0.000) 12.823 2.290 ( -1.588 2.038 -0.000) 2.583 2.871 ( 3.547 -2.505 0.000) 4.342 3.929 ( 3.736 -9.517 0.000) 10.224 4.500 ( 6.440 1.334 -0.000) 6.577 4.670 ( 2.432 -19.061 0.000) 19.216 5.480 ( -50.208 5.072 -0.000) 50.464 6.543 ( 15.489 -12.175 0.000) 19.701 7.225 ( 18.838 7.144 -0.000) 20.147 7.878 ( -12.555 -5.423 0.000) 13.676 8.483 ( -25.673 -7.585 0.000) 26.770 9.201 ( -26.339 2.760 -0.000) 26.484 11.112 ( 3.825 14.552 -0.000) 15.046 11.511 ( -17.449 4.184 -0.000) 17.943 12.437 ( -10.969 8.012 -0.000) 13.583 12.872 ( -2.256 4.692 -0.000) 5.206 14.363 ( 3.146 -16.852 0.000) 17.143 16.448 ( 17.979 4.168 -0.000) 18.456 18.173 ( 7.030 -17.577 0.000) 18.931 19.263 ( 12.958 23.060 -0.000) 26.451 20.383 ( -3.330 1.010 -0.000) 3.480 ======================= Grid point 265 (145/161) ======================= q-point: (-0.30 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -9.964 -0.000 -7.513) 12.479 1.784 ( -8.506 -0.000 -7.466) 11.317 2.280 ( -1.412 -0.000 -0.131) 1.419 2.327 ( 0.383 0.000 0.463) 0.601 2.522 ( -9.419 0.000 8.315) 12.564 2.553 ( -17.430 -0.000 -5.605) 18.309 3.712 ( 15.839 0.000 0.886) 15.864 4.208 ( 1.739 0.000 4.171) 4.519 4.568 ( 7.852 0.000 2.057) 8.117 5.674 ( -49.150 0.000 4.537) 49.359 6.265 ( 16.806 0.000 0.668) 16.820 7.462 ( 12.707 -0.000 -1.655) 12.814 7.591 ( -2.863 -0.000 -4.001) 4.919 8.280 ( -20.486 -0.000 0.805) 20.502 9.340 ( -28.811 0.000 2.932) 28.960 11.410 ( -17.549 0.000 8.751) 19.610 11.707 ( 5.162 -0.000 -2.753) 5.850 12.389 ( -14.582 -0.000 -19.968) 24.726 13.171 ( -2.028 0.000 9.756) 9.965 13.947 ( -0.912 0.000 2.012) 2.209 16.564 ( 18.675 -0.000 -1.563) 18.740 17.664 ( 0.109 -0.000 -0.461) 0.474 19.723 ( 20.205 -0.000 -9.916) 22.507 20.484 ( -3.031 0.000 5.942) 6.670 ======================= Grid point 270 (146/161) ======================= q-point: (-0.31 -0.69 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.229 0.000 0.000) 0.229 1.932 ( 21.150 0.000 0.000) 21.150 2.193 ( -9.935 -0.000 -0.000) 9.935 2.399 ( -0.736 -0.000 -0.000) 0.736 2.891 ( -17.280 -0.000 -0.000) 17.280 3.409 ( -6.171 -0.000 -0.000) 6.171 3.918 ( -17.821 -0.000 -0.000) 17.821 4.092 ( 0.407 0.000 0.000) 0.407 4.771 ( -10.850 -0.000 -0.000) 10.850 5.360 ( 12.879 0.000 0.000) 12.879 6.641 ( 19.048 0.000 0.000) 19.048 7.752 ( -0.772 -0.000 -0.000) 0.772 8.127 ( -24.193 -0.000 -0.000) 24.193 9.311 ( -10.190 -0.000 -0.000) 10.190 10.612 ( -15.217 -0.000 -0.000) 15.217 11.245 ( 8.034 0.000 0.000) 8.034 11.342 ( 8.546 0.000 0.000) 8.546 13.340 ( -1.729 -0.000 -0.000) 1.729 14.007 ( -1.402 -0.000 -0.000) 1.402 14.741 ( -41.088 -0.000 -0.000) 41.088 15.600 ( 9.356 0.000 0.000) 9.356 17.662 ( 0.118 0.000 0.000) 0.118 18.619 ( 15.721 0.000 0.000) 15.721 19.918 ( 17.229 0.000 0.000) 17.229 ======================= Grid point 277 (147/161) ======================= q-point: (-0.44 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 -9.822 -15.231) 18.123 1.483 ( 0.000 -11.684 -14.568) 18.675 1.987 ( -0.000 -1.885 11.867) 12.016 2.154 ( -0.000 5.641 -2.726) 6.265 2.445 ( -0.000 1.871 3.355) 3.842 2.547 ( 0.000 -13.652 -3.143) 14.009 4.085 ( 0.000 -0.885 -0.689) 1.122 4.365 ( -0.000 5.992 -0.639) 6.026 4.398 ( 0.000 -13.260 4.684) 14.063 4.941 ( -0.000 4.606 7.784) 9.045 6.908 ( 0.000 -8.998 -0.676) 9.024 7.466 ( 0.000 -0.258 -5.313) 5.319 7.709 ( -0.000 0.727 5.280) 5.330 8.172 ( -0.000 1.664 8.119) 8.288 8.191 ( 0.000 -0.549 -1.051) 1.186 10.827 ( -0.000 -1.104 1.263) 1.677 11.704 ( -0.000 11.033 -6.428) 12.769 12.131 ( 0.000 3.780 -22.625) 22.938 13.109 ( -0.000 5.821 13.903) 15.073 14.088 ( 0.000 -14.526 3.175) 14.868 16.975 ( -0.000 4.445 -1.410) 4.664 17.878 ( 0.000 -17.573 -0.638) 17.585 20.077 ( -0.000 19.383 -1.449) 19.437 20.224 ( 0.000 -0.025 -0.033) 0.042 ======================= Grid point 278 (148/161) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 -5.872 0.000) 5.872 1.954 ( -0.000 6.299 -0.000) 6.299 2.130 ( 0.000 -5.402 0.000) 5.402 2.156 ( 0.000 -2.584 0.000) 2.584 2.270 ( 0.000 -7.688 0.000) 7.688 3.039 ( -0.000 1.817 -0.000) 1.817 4.003 ( -0.000 7.457 -0.000) 7.457 4.259 ( 0.000 -9.318 0.000) 9.318 4.629 ( -0.000 3.822 -0.000) 3.822 5.089 ( 0.000 -13.706 0.000) 13.706 7.410 ( 0.000 -12.112 0.000) 12.112 7.472 ( -0.000 2.814 -0.000) 2.814 7.681 ( 0.000 -2.431 0.000) 2.431 8.085 ( 0.000 -3.427 0.000) 3.427 8.214 ( -0.000 0.318 -0.000) 0.318 10.885 ( 0.000 -1.773 0.000) 1.773 10.904 ( -0.000 25.826 -0.000) 25.826 12.130 ( -0.000 6.072 -0.000) 6.072 12.793 ( -0.000 0.333 -0.000) 0.333 14.853 ( 0.000 -18.029 0.000) 18.029 16.797 ( -0.000 3.108 -0.000) 3.108 18.772 ( 0.000 -18.740 0.000) 18.740 18.925 ( -0.000 28.844 -0.000) 28.844 20.226 ( 0.000 -0.008 0.000) 0.008 ======================= Grid point 286 (149/161) ======================= q-point: (-0.45 -0.55 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 1.127 2.854 -0.000) 3.068 2.029 ( -2.330 -8.925 0.000) 9.224 2.348 ( 1.122 3.430 -0.000) 3.609 2.348 ( -12.007 -3.560 0.000) 12.523 2.626 ( -13.538 2.468 -0.000) 13.761 2.780 ( 1.929 8.479 -0.000) 8.696 3.623 ( 0.026 -14.142 0.000) 14.142 4.271 ( 2.141 -12.315 0.000) 12.500 4.460 ( -1.142 0.766 -0.000) 1.375 6.011 ( 14.745 -7.205 0.000) 16.412 6.594 ( -47.657 4.685 -0.000) 47.887 7.096 ( 14.150 10.780 -0.000) 17.789 7.856 ( -5.683 -13.015 0.000) 14.201 8.774 ( -20.813 -7.687 0.000) 22.188 9.804 ( -24.203 4.556 -0.000) 24.628 11.303 ( 8.202 15.032 -0.000) 17.124 11.740 ( -5.734 -6.938 0.000) 9.001 13.007 ( -31.589 6.163 -0.000) 32.185 13.066 ( -5.506 5.551 -0.000) 7.818 14.051 ( 0.066 -9.098 0.000) 9.098 16.158 ( 18.690 3.189 -0.000) 18.960 17.776 ( 2.647 -9.634 0.000) 9.991 19.287 ( 19.914 10.719 -0.000) 22.615 20.405 ( 4.362 1.067 -0.000) 4.491 ======================= Grid point 297 (150/161) ======================= q-point: (-0.59 -0.41 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 263 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.779 -4.083 0.000) 4.157 1.972 ( -7.969 -9.355 0.000) 12.289 1.998 ( -5.134 -3.782 0.000) 6.377 2.205 ( -5.889 -0.901 0.000) 5.958 2.228 ( 2.819 3.471 -0.000) 4.471 2.913 ( 1.036 -8.118 0.000) 8.183 4.037 ( 5.948 -4.371 0.000) 7.381 4.591 ( -35.239 6.920 -0.000) 35.912 4.637 ( 5.434 -0.177 -0.000) 5.437 4.720 ( 3.063 -15.546 0.000) 15.845 6.878 ( 17.829 -11.027 0.000) 20.963 7.557 ( 6.016 2.388 -0.000) 6.473 7.728 ( 6.970 0.707 -0.000) 7.006 7.971 ( -24.755 -5.186 0.000) 25.292 8.666 ( -26.906 0.517 0.000) 26.911 10.976 ( -11.802 -0.684 0.000) 11.822 11.400 ( 2.186 21.124 -0.000) 21.237 12.308 ( -3.327 8.081 -0.000) 8.740 12.834 ( -1.460 2.569 -0.000) 2.955 14.411 ( 1.689 -19.743 0.000) 19.815 16.757 ( 11.997 4.644 -0.000) 12.864 18.288 ( 4.251 -21.142 0.000) 21.565 19.478 ( 8.020 27.910 -0.000) 29.039 20.285 ( -5.216 0.373 0.000) 5.230 ======================= Grid point 301 (151/161) ======================= q-point: (-0.34 -0.41 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -7.033 -0.000 -13.632) 15.340 1.518 ( -17.477 -0.000 -13.521) 22.097 2.110 ( -13.308 0.000 10.387) 16.882 2.300 ( -0.770 -0.000 -13.669) 13.691 2.366 ( -5.552 0.000 12.851) 13.999 2.438 ( 2.358 -0.000 -1.250) 2.669 3.979 ( 9.805 0.000 -0.571) 9.822 4.236 ( 1.075 0.000 4.933) 5.048 4.683 ( -11.908 -0.000 -2.646) 12.198 4.929 ( -8.344 0.000 9.501) 12.645 6.603 ( 16.264 0.000 -0.484) 16.271 7.531 ( -3.616 -0.000 -5.505) 6.586 7.767 ( 17.950 0.000 1.701) 18.030 7.895 ( -16.584 0.000 3.867) 17.029 8.744 ( -30.220 0.000 3.858) 30.466 11.014 ( -18.197 0.000 5.335) 18.963 11.783 ( 2.569 -0.000 -3.415) 4.274 12.222 ( -4.203 -0.000 -25.758) 26.099 13.168 ( 0.880 0.000 13.931) 13.959 13.933 ( -0.500 0.000 2.241) 2.296 16.892 ( 13.099 -0.000 -2.075) 13.262 17.666 ( 0.079 -0.000 -0.520) 0.526 20.069 ( 13.537 -0.000 -7.707) 15.577 20.380 ( -6.206 0.000 5.844) 8.524 ======================= Grid point 306 (152/161) ======================= q-point: (-0.35 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.074 0.000 0.000) 1.074 1.999 ( -9.395 -0.000 -0.000) 9.395 2.372 ( 20.905 0.000 0.000) 20.905 2.392 ( 0.007 0.000 0.000) 0.007 2.562 ( -14.983 -0.000 -0.000) 14.983 3.230 ( -11.699 -0.000 -0.000) 11.699 3.559 ( -16.131 -0.000 -0.000) 16.131 4.108 ( 1.170 0.000 0.000) 1.170 4.575 ( -8.326 -0.000 -0.000) 8.326 5.636 ( 14.503 0.000 0.000) 14.503 6.978 ( 14.956 0.000 0.000) 14.956 7.519 ( -37.349 -0.000 -0.000) 37.349 7.725 ( -1.866 -0.000 -0.000) 1.866 9.046 ( -16.030 -0.000 -0.000) 16.030 10.282 ( -18.585 -0.000 -0.000) 18.585 11.424 ( 9.392 0.000 0.000) 9.392 11.490 ( 5.825 0.000 0.000) 5.825 13.259 ( -5.858 -0.000 -0.000) 5.858 13.858 ( -44.723 -0.000 -0.000) 44.723 13.978 ( -1.499 -0.000 -0.000) 1.499 15.849 ( 15.359 0.000 0.000) 15.359 17.664 ( 0.112 0.000 0.000) 0.112 18.979 ( 20.148 0.000 0.000) 20.148 20.237 ( 13.441 0.000 0.000) 13.441 ======================= Grid point 322 (153/161) ======================= q-point: (-0.49 -0.51 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -2.215 -2.292 0.000) 3.188 1.955 ( -7.405 -8.390 0.000) 11.191 2.231 ( 1.470 1.812 -0.000) 2.333 2.281 ( -17.476 6.657 -0.000) 18.701 2.323 ( -3.978 2.060 -0.000) 4.479 2.772 ( -4.374 -6.953 0.000) 8.214 3.761 ( 11.830 -5.685 0.000) 13.125 4.311 ( 1.616 -13.515 0.000) 13.612 4.527 ( 7.867 1.089 -0.000) 7.943 5.580 ( -50.310 3.979 0.000) 50.467 6.335 ( 16.705 -7.187 0.000) 18.185 7.375 ( 14.144 6.944 -0.000) 15.757 7.742 ( -5.345 -6.936 0.000) 8.757 8.334 ( -23.195 -5.781 0.000) 23.905 9.275 ( -28.703 3.395 -0.000) 28.903 11.281 ( -13.276 3.288 -0.000) 13.677 11.658 ( 1.720 7.198 -0.000) 7.401 12.598 ( -10.479 6.740 -0.000) 12.459 12.962 ( -4.742 3.383 -0.000) 5.825 14.052 ( 0.011 -11.548 0.000) 11.548 16.536 ( 18.601 3.823 -0.000) 18.990 17.828 ( 2.506 -13.771 0.000) 13.997 19.673 ( 18.185 14.698 -0.000) 23.382 20.405 ( -3.837 0.874 -0.000) 3.935 ======================= Grid point 334 (154/161) ======================= q-point: (-0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -4.178 0.000) 4.178 1.892 ( 0.000 -9.736 0.000) 9.736 1.938 ( 0.000 -11.274 0.000) 11.274 2.132 ( 0.000 -0.121 0.000) 0.121 2.259 ( -0.000 4.350 -0.000) 4.350 2.923 ( 0.000 -11.364 0.000) 11.364 4.130 ( 0.000 -3.119 0.000) 3.119 4.197 ( -0.000 9.789 -0.000) 9.789 4.682 ( 0.000 -9.301 0.000) 9.301 4.769 ( 0.000 -4.835 0.000) 4.835 7.141 ( 0.000 -12.612 0.000) 12.612 7.529 ( -0.000 2.577 -0.000) 2.577 7.635 ( 0.000 -1.959 0.000) 1.959 8.062 ( -0.000 0.560 -0.000) 0.560 8.213 ( 0.000 -0.367 0.000) 0.367 10.846 ( 0.000 -1.880 0.000) 1.880 11.431 ( -0.000 22.256 -0.000) 22.256 12.278 ( -0.000 8.485 -0.000) 8.485 12.819 ( -0.000 1.850 -0.000) 1.850 14.428 ( 0.000 -20.754 0.000) 20.754 16.883 ( -0.000 4.922 -0.000) 4.922 18.332 ( 0.000 -22.454 0.000) 22.454 19.560 ( -0.000 29.772 -0.000) 29.772 20.225 ( 0.000 -0.027 0.000) 0.027 ======================= Grid point 338 (155/161) ======================= q-point: (-0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 -0.000 -18.141) 18.141 1.344 ( 0.000 -0.000 -16.467) 16.467 1.967 ( -0.000 0.000 13.453) 13.453 2.296 ( 0.000 -0.000 -18.308) 18.308 2.311 ( -0.000 0.000 14.616) 14.616 2.468 ( -0.000 0.000 1.770) 1.770 4.078 ( 0.000 -0.000 -1.077) 1.077 4.248 ( -0.000 0.000 5.205) 5.205 4.430 ( 0.000 -0.000 -0.896) 0.896 4.994 ( -0.000 0.000 8.409) 8.409 6.808 ( 0.000 -0.000 -1.903) 1.903 7.463 ( 0.000 -0.000 -5.649) 5.649 7.718 ( -0.000 0.000 5.606) 5.606 8.185 ( 0.000 -0.000 -1.088) 1.088 8.191 ( -0.000 0.000 8.614) 8.614 10.814 ( -0.000 0.000 1.355) 1.355 11.809 ( 0.000 -0.000 -3.654) 3.654 12.183 ( 0.000 -0.000 -27.446) 27.446 13.181 ( -0.000 0.000 15.732) 15.732 13.928 ( -0.000 0.000 2.321) 2.321 17.032 ( 0.000 -0.000 -2.041) 2.041 17.667 ( 0.000 -0.000 -0.542) 0.542 20.224 ( 0.000 -0.000 -0.036) 0.036 20.293 ( 0.000 -0.000 -0.681) 0.681 ======================= Grid point 343 (156/161) ======================= q-point: (-0.38 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -7.983 -0.000 -0.000) 7.983 1.858 ( 3.681 0.000 0.000) 3.681 2.317 ( -9.062 -0.000 -0.000) 9.062 2.393 ( -0.352 -0.000 -0.000) 0.352 2.608 ( -1.156 -0.000 -0.000) 1.156 2.952 ( -15.855 -0.000 -0.000) 15.855 3.423 ( 6.182 0.000 0.000) 6.182 4.135 ( 1.393 0.000 0.000) 1.393 4.469 ( -1.490 -0.000 -0.000) 1.490 5.933 ( 15.510 0.000 0.000) 15.510 6.649 ( -49.426 -0.000 -0.000) 49.426 7.244 ( 12.122 0.000 0.000) 12.122 7.683 ( -2.309 -0.000 -0.000) 2.309 8.687 ( -19.815 -0.000 -0.000) 19.815 9.856 ( -24.448 -0.000 -0.000) 24.448 11.530 ( -3.453 -0.000 -0.000) 3.453 11.601 ( 8.095 0.000 0.000) 8.095 13.074 ( -31.466 -0.000 -0.000) 31.466 13.128 ( -6.895 -0.000 -0.000) 6.895 13.949 ( -1.397 -0.000 -0.000) 1.397 16.195 ( 19.046 0.000 0.000) 19.046 17.666 ( 0.140 0.000 0.000) 0.140 19.404 ( 22.156 0.000 0.000) 22.156 20.417 ( 4.364 0.000 0.000) 4.364 ======================= Grid point 359 (157/161) ======================= q-point: (-0.52 -0.48 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.487 -5.422 0.000) 5.623 1.787 ( -7.659 -5.818 0.000) 9.619 1.934 ( -17.222 -1.627 0.000) 17.298 2.200 ( -6.683 -0.078 0.000) 6.684 2.306 ( 3.772 3.023 -0.000) 4.835 2.693 ( -2.413 -10.530 0.000) 10.803 3.991 ( 9.570 -0.702 -0.000) 9.595 4.334 ( 0.790 -13.875 0.000) 13.898 4.717 ( -32.941 4.617 -0.000) 33.263 4.727 ( 10.219 2.857 -0.000) 10.611 6.684 ( 17.514 -6.939 0.000) 18.838 7.594 ( 0.978 1.098 -0.000) 1.470 7.740 ( 13.100 0.481 -0.000) 13.109 7.877 ( -21.614 -3.416 0.000) 21.882 8.691 ( -29.181 1.341 0.000) 29.212 10.962 ( -14.147 -0.446 0.000) 14.154 11.730 ( 3.328 9.583 -0.000) 10.144 12.498 ( -1.612 9.054 -0.000) 9.196 12.886 ( -2.722 2.037 -0.000) 3.400 14.052 ( 0.004 -13.167 0.000) 13.167 16.858 ( 12.592 4.571 -0.000) 13.396 17.870 ( 1.624 -16.926 0.000) 17.003 19.975 ( 11.290 17.861 -0.000) 21.130 20.294 ( -5.939 0.331 0.000) 5.948 ======================= Grid point 380 (158/161) ======================= q-point: (-0.42 -0.58 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -5.823 -0.000 -0.000) 5.823 1.866 ( -4.586 -0.000 -0.000) 4.586 2.251 ( 2.819 0.000 0.000) 2.819 2.320 ( -10.733 -0.000 -0.000) 10.733 2.419 ( -13.003 -0.000 -0.000) 13.003 2.651 ( -10.962 -0.000 -0.000) 10.962 3.702 ( 16.882 0.000 0.000) 16.882 4.161 ( 1.182 0.000 0.000) 1.182 4.539 ( 8.490 0.000 0.000) 8.490 5.626 ( -50.793 -0.000 -0.000) 50.793 6.257 ( 17.205 0.000 0.000) 17.205 7.477 ( 11.926 0.000 0.000) 11.926 7.638 ( -2.051 -0.000 -0.000) 2.051 8.269 ( -21.937 -0.000 -0.000) 21.937 9.314 ( -29.677 -0.000 -0.000) 29.677 11.311 ( -17.445 -0.000 -0.000) 17.445 11.738 ( 5.636 0.000 0.000) 5.636 12.678 ( -9.159 -0.000 -0.000) 9.159 12.999 ( -5.746 -0.000 -0.000) 5.746 13.924 ( -1.085 -0.000 -0.000) 1.085 16.583 ( 19.168 0.000 0.000) 19.168 17.669 ( 0.152 0.000 0.000) 0.152 19.833 ( 20.245 0.000 0.000) 20.245 20.414 ( -4.064 -0.000 -0.000) 4.064 ======================= Grid point 397 (159/161) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 -9.249 0.000) 9.249 1.691 ( 0.000 -2.174 0.000) 2.174 1.718 ( 0.000 -8.488 0.000) 8.488 2.126 ( 0.000 -0.949 0.000) 0.949 2.346 ( -0.000 3.223 -0.000) 3.223 2.673 ( 0.000 -9.811 0.000) 9.811 4.098 ( 0.000 -0.608 0.000) 0.608 4.342 ( 0.000 -13.964 0.000) 13.964 4.372 ( -0.000 6.252 -0.000) 6.252 4.844 ( -0.000 4.165 -0.000) 4.165 6.917 ( 0.000 -8.059 0.000) 8.059 7.575 ( -0.000 1.642 -0.000) 1.642 7.601 ( 0.000 -1.163 0.000) 1.163 8.085 ( -0.000 1.201 -0.000) 1.201 8.203 ( 0.000 -0.501 0.000) 0.501 10.812 ( 0.000 -1.205 0.000) 1.205 11.764 ( -0.000 9.159 -0.000) 9.159 12.487 ( -0.000 10.287 -0.000) 10.287 12.858 ( -0.000 1.594 -0.000) 1.594 14.052 ( 0.000 -13.736 0.000) 13.736 16.991 ( -0.000 4.942 -0.000) 4.942 17.887 ( 0.000 -18.108 0.000) 18.108 20.091 ( -0.000 19.116 -0.000) 19.116 20.225 ( 0.000 -0.022 0.000) 0.022 ======================= Grid point 418 (160/161) ======================= q-point: (-0.46 -0.54 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -3.078 -0.000 -0.000) 3.078 1.736 ( -6.282 -0.000 -0.000) 6.282 1.926 ( -24.042 -0.000 -0.000) 24.042 2.193 ( -8.572 -0.000 -0.000) 8.572 2.340 ( 4.037 0.000 0.000) 4.037 2.569 ( -0.358 -0.000 -0.000) 0.358 3.986 ( 10.460 0.000 0.000) 10.460 4.180 ( 0.669 0.000 0.000) 0.669 4.760 ( 11.450 0.000 0.000) 11.450 4.768 ( -32.106 -0.000 -0.000) 32.106 6.608 ( 17.178 0.000 0.000) 17.178 7.605 ( -1.197 -0.000 -0.000) 1.197 7.746 ( 15.977 0.000 0.000) 15.977 7.839 ( -20.107 -0.000 -0.000) 20.107 8.707 ( -30.379 -0.000 -0.000) 30.379 10.958 ( -14.965 -0.000 -0.000) 14.965 11.823 ( 2.838 0.000 0.000) 2.838 12.610 ( -0.152 -0.000 -0.000) 0.152 12.909 ( -3.213 -0.000 -0.000) 3.213 13.907 ( -0.594 -0.000 -0.000) 0.594 16.916 ( 13.148 0.000 0.000) 13.148 17.672 ( 0.103 0.000 0.000) 0.103 20.170 ( 12.623 0.000 0.000) 12.623 20.297 ( -6.274 -0.000 -0.000) 6.274 ======================= Grid point 456 (161/161) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 0.000 0.000) 0.000 1.623 ( -0.000 -0.000 0.000) 0.000 1.668 ( -0.000 -0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 4.093 ( -0.000 -0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.440 ( -0.000 -0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.588 ( -0.000 0.000 0.000) 0.000 7.593 ( -0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.197 ( -0.000 -0.000 0.000) 0.000 10.799 ( -0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 17.056 ( -0.000 0.000 0.000) 0.000 17.673 ( -0.000 0.000 0.000) 0.000 20.224 ( -0.000 -0.000 0.000) 0.000 20.301 ( 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 3/19968 10.0 471.053 477.149 544.984 0.000 -0.000 -0.000 3/19968 20.0 146.118 138.168 136.431 0.000 -0.000 -0.000 3/19968 30.0 69.163 61.759 62.057 0.000 -0.000 -0.000 3/19968 40.0 39.388 34.440 34.768 0.000 -0.000 -0.000 3/19968 50.0 25.863 22.306 22.427 0.000 -0.000 -0.000 3/19968 60.0 18.775 15.983 15.954 0.000 -0.000 -0.000 3/19968 70.0 14.616 12.271 12.155 0.000 -0.000 -0.000 3/19968 80.0 11.953 9.891 9.727 0.000 -0.000 -0.000 3/19968 90.0 10.130 8.261 8.071 0.000 -0.000 -0.000 3/19968 100.0 8.815 7.085 6.882 0.000 -0.000 -0.000 3/19968 110.0 7.826 6.203 5.994 0.000 -0.000 -0.000 3/19968 120.0 7.057 5.518 5.307 0.000 -0.000 -0.000 3/19968 130.0 6.443 4.974 4.762 0.000 -0.000 -0.000 3/19968 140.0 5.939 4.530 4.320 0.000 -0.000 -0.000 3/19968 150.0 5.519 4.163 3.955 0.000 -0.000 -0.000 3/19968 160.0 5.162 3.853 3.648 0.000 -0.000 -0.000 3/19968 170.0 4.855 3.589 3.386 0.000 -0.000 -0.000 3/19968 180.0 4.587 3.360 3.161 0.000 -0.000 -0.000 3/19968 190.0 4.350 3.161 2.965 0.000 -0.000 -0.000 3/19968 200.0 4.140 2.985 2.792 0.000 -0.000 -0.000 3/19968 210.0 3.951 2.829 2.640 0.000 -0.000 -0.000 3/19968 220.0 3.780 2.690 2.504 0.000 -0.000 -0.000 3/19968 230.0 3.625 2.564 2.381 0.000 -0.000 -0.000 3/19968 240.0 3.483 2.450 2.271 0.000 -0.000 -0.000 3/19968 250.0 3.352 2.346 2.170 0.000 -0.000 -0.000 3/19968 260.0 3.232 2.252 2.079 0.000 -0.000 -0.000 3/19968 270.0 3.120 2.165 1.995 0.000 -0.000 -0.000 3/19968 280.0 3.017 2.084 1.918 0.000 -0.000 -0.000 3/19968 290.0 2.920 2.010 1.847 0.000 -0.000 -0.000 3/19968 300.0 2.829 1.941 1.781 0.000 -0.000 -0.000 3/19968 310.0 2.744 1.877 1.720 0.000 -0.000 -0.000 3/19968 320.0 2.665 1.817 1.663 0.000 -0.000 -0.000 3/19968 330.0 2.589 1.761 1.610 0.000 -0.000 -0.000 3/19968 340.0 2.519 1.708 1.560 0.000 -0.000 -0.000 3/19968 350.0 2.451 1.659 1.513 0.000 -0.000 -0.000 3/19968 360.0 2.388 1.612 1.469 0.000 -0.000 -0.000 3/19968 370.0 2.328 1.568 1.428 0.000 -0.000 -0.000 3/19968 380.0 2.270 1.527 1.389 0.000 -0.000 -0.000 3/19968 390.0 2.216 1.487 1.352 0.000 -0.000 -0.000 3/19968 400.0 2.164 1.450 1.317 0.000 -0.000 -0.000 3/19968 410.0 2.114 1.414 1.284 0.000 -0.000 -0.000 3/19968 420.0 2.067 1.381 1.252 0.000 -0.000 -0.000 3/19968 430.0 2.022 1.349 1.222 0.000 -0.000 -0.000 3/19968 440.0 1.979 1.318 1.194 0.000 -0.000 -0.000 3/19968 450.0 1.937 1.289 1.166 0.000 -0.000 -0.000 3/19968 460.0 1.897 1.261 1.140 0.000 -0.000 -0.000 3/19968 470.0 1.859 1.234 1.116 0.000 -0.000 -0.000 3/19968 480.0 1.823 1.208 1.092 0.000 -0.000 -0.000 3/19968 490.0 1.787 1.184 1.069 0.000 -0.000 -0.000 3/19968 500.0 1.754 1.160 1.047 0.000 -0.000 -0.000 3/19968 510.0 1.721 1.137 1.026 0.000 -0.000 -0.000 3/19968 520.0 1.689 1.116 1.006 0.000 -0.000 -0.000 3/19968 530.0 1.659 1.095 0.987 0.000 -0.000 -0.000 3/19968 540.0 1.630 1.074 0.968 0.000 -0.000 -0.000 3/19968 550.0 1.602 1.055 0.950 0.000 -0.000 -0.000 3/19968 560.0 1.574 1.036 0.933 0.000 -0.000 -0.000 3/19968 570.0 1.548 1.018 0.917 0.000 -0.000 -0.000 3/19968 580.0 1.522 1.001 0.901 0.000 -0.000 -0.000 3/19968 590.0 1.498 0.984 0.885 0.000 -0.000 -0.000 3/19968 600.0 1.474 0.967 0.870 0.000 -0.000 -0.000 3/19968 610.0 1.451 0.952 0.856 0.000 -0.000 -0.000 3/19968 620.0 1.428 0.936 0.842 0.000 -0.000 -0.000 3/19968 630.0 1.407 0.922 0.828 0.000 -0.000 -0.000 3/19968 640.0 1.385 0.907 0.815 0.000 -0.000 -0.000 3/19968 650.0 1.365 0.893 0.803 0.000 -0.000 -0.000 3/19968 660.0 1.345 0.880 0.790 0.000 -0.000 -0.000 3/19968 670.0 1.326 0.867 0.778 0.000 -0.000 -0.000 3/19968 680.0 1.307 0.854 0.767 0.000 -0.000 -0.000 3/19968 690.0 1.289 0.842 0.756 0.000 -0.000 -0.000 3/19968 700.0 1.271 0.830 0.745 0.000 -0.000 -0.000 3/19968 710.0 1.254 0.818 0.734 0.000 -0.000 -0.000 3/19968 720.0 1.237 0.807 0.724 0.000 -0.000 -0.000 3/19968 730.0 1.221 0.796 0.714 0.000 -0.000 -0.000 3/19968 740.0 1.205 0.785 0.704 0.000 -0.000 -0.000 3/19968 750.0 1.189 0.775 0.695 0.000 -0.000 -0.000 3/19968 760.0 1.174 0.765 0.686 0.000 -0.000 -0.000 3/19968 770.0 1.159 0.755 0.677 0.000 -0.000 -0.000 3/19968 780.0 1.145 0.745 0.668 0.000 -0.000 -0.000 3/19968 790.0 1.131 0.736 0.659 0.000 -0.000 -0.000 3/19968 800.0 1.117 0.727 0.651 0.000 -0.000 -0.000 3/19968 810.0 1.104 0.718 0.643 0.000 -0.000 -0.000 3/19968 820.0 1.091 0.709 0.635 0.000 -0.000 -0.000 3/19968 830.0 1.078 0.701 0.628 0.000 -0.000 -0.000 3/19968 840.0 1.066 0.693 0.620 0.000 -0.000 -0.000 3/19968 850.0 1.053 0.684 0.613 0.000 -0.000 -0.000 3/19968 860.0 1.041 0.676 0.606 0.000 -0.000 -0.000 3/19968 870.0 1.030 0.669 0.599 0.000 -0.000 -0.000 3/19968 880.0 1.018 0.661 0.592 0.000 -0.000 -0.000 3/19968 890.0 1.007 0.654 0.585 0.000 -0.000 -0.000 3/19968 900.0 0.996 0.647 0.579 0.000 -0.000 -0.000 3/19968 910.0 0.986 0.640 0.572 0.000 -0.000 -0.000 3/19968 920.0 0.975 0.633 0.566 0.000 -0.000 -0.000 3/19968 930.0 0.965 0.626 0.560 0.000 -0.000 -0.000 3/19968 940.0 0.955 0.619 0.554 0.000 -0.000 -0.000 3/19968 950.0 0.945 0.613 0.548 0.000 -0.000 -0.000 3/19968 960.0 0.936 0.606 0.542 0.000 -0.000 -0.000 3/19968 970.0 0.926 0.600 0.537 0.000 -0.000 -0.000 3/19968 980.0 0.917 0.594 0.531 0.000 -0.000 -0.000 3/19968 990.0 0.908 0.588 0.526 0.000 -0.000 -0.000 3/19968 1000.0 0.899 0.582 0.521 0.000 -0.000 -0.000 3/19968 Thermal conductivity related properties were written into "kappa-m14208.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:49:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|