----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:01:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.704904940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.409346840000000 Atomic positions (fractional): *1 O 0.30540842653821 0.56728141369627 0.69184434387133 15.999 2 O 0.19459157346179 0.43271858630373 0.19184434387133 15.999 3 O 0.80540842653821 0.93271858630373 0.80815565612867 15.999 4 O 0.69459157346179 0.06728141369627 0.30815565612867 15.999 5 O 0.69459157346179 0.43271858630373 0.30815565612867 15.999 6 O 0.80540842653821 0.56728141369627 0.80815565612867 15.999 7 O 0.19459157346179 0.06728141369627 0.19184434387133 15.999 8 O 0.30540842653821 0.93271858630373 0.69184434387133 15.999 *9 O 0.55462192460306 0.25000000000000 0.87147977091868 15.999 10 O 0.94537807539694 0.75000000000000 0.37147977091868 15.999 11 O 0.05462192460306 0.25000000000000 0.62852022908132 15.999 12 O 0.44537807539694 0.75000000000000 0.12852022908132 15.999 *13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 *17 Tb 0.06369731509121 0.75000000000000 0.97955340370802 158.925 18 Tb 0.43630268490879 0.25000000000000 0.47955340370802 158.925 19 Tb 0.56369731509121 0.75000000000000 0.52044659629198 158.925 20 Tb 0.93630268490879 0.25000000000000 0.02044659629198 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.704904940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.409346840000000 Atomic positions (fractional): *1 O 0.30540842653821 0.56728141369627 0.69184434387133 15.999 > 1 2 O 0.19459157346179 0.43271858630373 0.19184434387133 15.999 > 2 3 O 0.80540842653821 0.93271858630373 0.80815565612867 15.999 > 3 4 O 0.69459157346179 0.06728141369627 0.30815565612867 15.999 > 4 5 O 0.69459157346179 0.43271858630373 0.30815565612867 15.999 > 5 6 O 0.80540842653821 0.56728141369627 0.80815565612867 15.999 > 6 7 O 0.19459157346179 0.06728141369627 0.19184434387133 15.999 > 7 8 O 0.30540842653821 0.93271858630373 0.69184434387133 15.999 > 8 *9 O 0.55462192460306 0.25000000000000 0.87147977091868 15.999 > 9 10 O 0.94537807539694 0.75000000000000 0.37147977091868 15.999 > 10 11 O 0.05462192460306 0.25000000000000 0.62852022908132 15.999 > 11 12 O 0.44537807539694 0.75000000000000 0.12852022908132 15.999 > 12 *13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 13 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 14 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 15 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 16 *17 Tb 0.06369731509121 0.75000000000000 0.97955340370802 158.925 > 17 18 Tb 0.43630268490879 0.25000000000000 0.47955340370802 158.925 > 18 19 Tb 0.56369731509121 0.75000000000000 0.52044659629198 158.925 > 19 20 Tb 0.93630268490879 0.25000000000000 0.02044659629198 158.925 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.409809879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.818693680000001 Atomic positions (fractional): *1 O 0.15270421326911 0.56728141369627 0.34592217193566 15.999 > 1 2 O 0.65270421326911 0.56728141369627 0.34592217193566 15.999 > 1 3 O 0.15270421326911 0.56728141369627 0.84592217193566 15.999 > 1 4 O 0.65270421326911 0.56728141369627 0.84592217193566 15.999 > 1 5 O 0.09729578673089 0.43271858630373 0.09592217193566 15.999 > 2 6 O 0.59729578673089 0.43271858630373 0.09592217193566 15.999 > 2 7 O 0.09729578673089 0.43271858630373 0.59592217193566 15.999 > 2 8 O 0.59729578673089 0.43271858630373 0.59592217193566 15.999 > 2 9 O 0.40270421326911 0.93271858630373 0.40407782806434 15.999 > 3 10 O 0.90270421326911 0.93271858630373 0.40407782806434 15.999 > 3 11 O 0.40270421326911 0.93271858630373 0.90407782806434 15.999 > 3 12 O 0.90270421326911 0.93271858630373 0.90407782806434 15.999 > 3 13 O 0.34729578673089 0.06728141369627 0.15407782806434 15.999 > 4 14 O 0.84729578673089 0.06728141369627 0.15407782806434 15.999 > 4 15 O 0.34729578673089 0.06728141369627 0.65407782806434 15.999 > 4 16 O 0.84729578673089 0.06728141369627 0.65407782806434 15.999 > 4 17 O 0.34729578673089 0.43271858630373 0.15407782806434 15.999 > 5 18 O 0.84729578673089 0.43271858630373 0.15407782806434 15.999 > 5 19 O 0.34729578673089 0.43271858630373 0.65407782806434 15.999 > 5 20 O 0.84729578673089 0.43271858630373 0.65407782806434 15.999 > 5 21 O 0.40270421326911 0.56728141369627 0.40407782806434 15.999 > 6 22 O 0.90270421326911 0.56728141369627 0.40407782806434 15.999 > 6 23 O 0.40270421326911 0.56728141369627 0.90407782806434 15.999 > 6 24 O 0.90270421326911 0.56728141369627 0.90407782806434 15.999 > 6 25 O 0.09729578673089 0.06728141369627 0.09592217193566 15.999 > 7 26 O 0.59729578673089 0.06728141369627 0.09592217193566 15.999 > 7 27 O 0.09729578673089 0.06728141369627 0.59592217193566 15.999 > 7 28 O 0.59729578673089 0.06728141369627 0.59592217193566 15.999 > 7 29 O 0.15270421326911 0.93271858630373 0.34592217193566 15.999 > 8 30 O 0.65270421326911 0.93271858630373 0.34592217193566 15.999 > 8 31 O 0.15270421326911 0.93271858630373 0.84592217193566 15.999 > 8 32 O 0.65270421326911 0.93271858630373 0.84592217193566 15.999 > 8 *33 O 0.27731096230153 0.25000000000000 0.43573988545934 15.999 > 9 34 O 0.77731096230153 0.25000000000000 0.43573988545934 15.999 > 9 35 O 0.27731096230153 0.25000000000000 0.93573988545934 15.999 > 9 36 O 0.77731096230153 0.25000000000000 0.93573988545934 15.999 > 9 37 O 0.47268903769847 0.75000000000000 0.18573988545934 15.999 > 10 38 O 0.97268903769847 0.75000000000000 0.18573988545934 15.999 > 10 39 O 0.47268903769847 0.75000000000000 0.68573988545934 15.999 > 10 40 O 0.97268903769847 0.75000000000000 0.68573988545934 15.999 > 10 41 O 0.02731096230153 0.25000000000000 0.31426011454066 15.999 > 11 42 O 0.52731096230153 0.25000000000000 0.31426011454066 15.999 > 11 43 O 0.02731096230153 0.25000000000000 0.81426011454066 15.999 > 11 44 O 0.52731096230153 0.25000000000000 0.81426011454066 15.999 > 11 45 O 0.22268903769847 0.75000000000000 0.06426011454066 15.999 > 12 46 O 0.72268903769847 0.75000000000000 0.06426011454066 15.999 > 12 47 O 0.22268903769847 0.75000000000000 0.56426011454066 15.999 > 12 48 O 0.72268903769847 0.75000000000000 0.56426011454066 15.999 > 12 *49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 13 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 13 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 13 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 13 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 14 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 14 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 14 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 14 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 15 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 15 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 15 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 15 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 16 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 16 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 16 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 16 *65 Tb 0.03184865754560 0.75000000000000 0.48977670185401 158.925 > 17 66 Tb 0.53184865754560 0.75000000000000 0.48977670185401 158.925 > 17 67 Tb 0.03184865754560 0.75000000000000 0.98977670185401 158.925 > 17 68 Tb 0.53184865754560 0.75000000000000 0.98977670185401 158.925 > 17 69 Tb 0.21815134245440 0.25000000000000 0.23977670185401 158.925 > 18 70 Tb 0.71815134245440 0.25000000000000 0.23977670185401 158.925 > 18 71 Tb 0.21815134245440 0.25000000000000 0.73977670185401 158.925 > 18 72 Tb 0.71815134245440 0.25000000000000 0.73977670185401 158.925 > 18 73 Tb 0.28184865754560 0.75000000000000 0.26022329814599 158.925 > 19 74 Tb 0.78184865754560 0.75000000000000 0.26022329814599 158.925 > 19 75 Tb 0.28184865754560 0.75000000000000 0.76022329814599 158.925 > 19 76 Tb 0.78184865754560 0.75000000000000 0.76022329814599 158.925 > 19 77 Tb 0.46815134245440 0.25000000000000 0.01022329814599 158.925 > 20 78 Tb 0.96815134245440 0.25000000000000 0.01022329814599 158.925 > 20 79 Tb 0.46815134245440 0.25000000000000 0.51022329814599 158.925 > 20 80 Tb 0.96815134245440 0.25000000000000 0.51022329814599 158.925 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8962458 0.0000000 0.0000000 0.0000000 4.6302036 0.0000000 0.0000000 0.0000000 4.9075662 -------------------------- Born effective charges -------------------------- 1 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 2 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 3 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 4 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 5 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 6 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 7 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 8 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 9 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 10 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 11 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 12 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 13 Sc 4.1353453 -0.1204547 -0.0963995 -0.1524577 3.9366400 -0.0610694 -0.1909571 -0.2426404 4.0585093 14 Sc 4.1353453 -0.1204547 0.0963995 -0.1524577 3.9366400 0.0610694 0.1909571 0.2426404 4.0585093 15 Sc 4.1353453 0.1204547 0.0963995 0.1524577 3.9366400 -0.0610694 0.1909571 -0.2426404 4.0585093 16 Sc 4.1353453 0.1204547 -0.0963995 0.1524577 3.9366400 0.0610694 -0.1909571 0.2426404 4.0585093 17 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 18 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 19 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 20 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.728 Solver_block: 200 / 320 - Time: 0.744 Solver_block: 300 / 320 - Time: 0.744 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.422 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:01:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:01:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.704904940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.409346840000000 Atomic positions (fractional): 1 O 0.30540842653821 0.56728141369627 0.69184434387133 15.999 2 O 0.19459157346179 0.43271858630373 0.19184434387133 15.999 3 O 0.80540842653821 0.93271858630373 0.80815565612867 15.999 4 O 0.69459157346179 0.06728141369627 0.30815565612867 15.999 5 O 0.69459157346179 0.43271858630373 0.30815565612867 15.999 6 O 0.80540842653821 0.56728141369627 0.80815565612867 15.999 7 O 0.19459157346179 0.06728141369627 0.19184434387133 15.999 8 O 0.30540842653821 0.93271858630373 0.69184434387133 15.999 9 O 0.55462192460306 0.25000000000000 0.87147977091868 15.999 10 O 0.94537807539694 0.75000000000000 0.37147977091868 15.999 11 O 0.05462192460306 0.25000000000000 0.62852022908132 15.999 12 O 0.44537807539694 0.75000000000000 0.12852022908132 15.999 13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 17 Tb 0.06369731509121 0.75000000000000 0.97955340370802 158.925 18 Tb 0.43630268490879 0.25000000000000 0.47955340370802 158.925 19 Tb 0.56369731509121 0.75000000000000 0.52044659629198 158.925 20 Tb 0.93630268490879 0.25000000000000 0.02044659629198 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.409809879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.818693680000001 Atomic positions (fractional): 1 O 0.15270421326911 0.56728141369627 0.34592217193566 15.999 > 1 2 O 0.65270421326911 0.56728141369627 0.34592217193566 15.999 > 1 3 O 0.15270421326911 0.56728141369627 0.84592217193566 15.999 > 1 4 O 0.65270421326911 0.56728141369627 0.84592217193566 15.999 > 1 5 O 0.09729578673089 0.43271858630373 0.09592217193566 15.999 > 5 6 O 0.59729578673089 0.43271858630373 0.09592217193566 15.999 > 5 7 O 0.09729578673089 0.43271858630373 0.59592217193566 15.999 > 5 8 O 0.59729578673089 0.43271858630373 0.59592217193566 15.999 > 5 9 O 0.40270421326911 0.93271858630373 0.40407782806434 15.999 > 9 10 O 0.90270421326911 0.93271858630373 0.40407782806434 15.999 > 9 11 O 0.40270421326911 0.93271858630373 0.90407782806434 15.999 > 9 12 O 0.90270421326911 0.93271858630373 0.90407782806434 15.999 > 9 13 O 0.34729578673089 0.06728141369627 0.15407782806434 15.999 > 13 14 O 0.84729578673089 0.06728141369627 0.15407782806434 15.999 > 13 15 O 0.34729578673089 0.06728141369627 0.65407782806434 15.999 > 13 16 O 0.84729578673089 0.06728141369627 0.65407782806434 15.999 > 13 17 O 0.34729578673089 0.43271858630373 0.15407782806434 15.999 > 17 18 O 0.84729578673089 0.43271858630373 0.15407782806434 15.999 > 17 19 O 0.34729578673089 0.43271858630373 0.65407782806434 15.999 > 17 20 O 0.84729578673089 0.43271858630373 0.65407782806434 15.999 > 17 21 O 0.40270421326911 0.56728141369627 0.40407782806434 15.999 > 21 22 O 0.90270421326911 0.56728141369627 0.40407782806434 15.999 > 21 23 O 0.40270421326911 0.56728141369627 0.90407782806434 15.999 > 21 24 O 0.90270421326911 0.56728141369627 0.90407782806434 15.999 > 21 25 O 0.09729578673089 0.06728141369627 0.09592217193566 15.999 > 25 26 O 0.59729578673089 0.06728141369627 0.09592217193566 15.999 > 25 27 O 0.09729578673089 0.06728141369627 0.59592217193566 15.999 > 25 28 O 0.59729578673089 0.06728141369627 0.59592217193566 15.999 > 25 29 O 0.15270421326911 0.93271858630373 0.34592217193566 15.999 > 29 30 O 0.65270421326911 0.93271858630373 0.34592217193566 15.999 > 29 31 O 0.15270421326911 0.93271858630373 0.84592217193566 15.999 > 29 32 O 0.65270421326911 0.93271858630373 0.84592217193566 15.999 > 29 33 O 0.27731096230153 0.25000000000000 0.43573988545934 15.999 > 33 34 O 0.77731096230153 0.25000000000000 0.43573988545934 15.999 > 33 35 O 0.27731096230153 0.25000000000000 0.93573988545934 15.999 > 33 36 O 0.77731096230153 0.25000000000000 0.93573988545934 15.999 > 33 37 O 0.47268903769847 0.75000000000000 0.18573988545934 15.999 > 37 38 O 0.97268903769847 0.75000000000000 0.18573988545934 15.999 > 37 39 O 0.47268903769847 0.75000000000000 0.68573988545934 15.999 > 37 40 O 0.97268903769847 0.75000000000000 0.68573988545934 15.999 > 37 41 O 0.02731096230153 0.25000000000000 0.31426011454066 15.999 > 41 42 O 0.52731096230153 0.25000000000000 0.31426011454066 15.999 > 41 43 O 0.02731096230153 0.25000000000000 0.81426011454066 15.999 > 41 44 O 0.52731096230153 0.25000000000000 0.81426011454066 15.999 > 41 45 O 0.22268903769847 0.75000000000000 0.06426011454066 15.999 > 45 46 O 0.72268903769847 0.75000000000000 0.06426011454066 15.999 > 45 47 O 0.22268903769847 0.75000000000000 0.56426011454066 15.999 > 45 48 O 0.72268903769847 0.75000000000000 0.56426011454066 15.999 > 45 49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 49 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 49 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 49 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 49 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 53 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 53 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 53 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 53 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 57 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 57 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 57 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 61 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 61 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 61 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 61 65 Tb 0.03184865754560 0.75000000000000 0.48977670185401 158.925 > 65 66 Tb 0.53184865754560 0.75000000000000 0.48977670185401 158.925 > 65 67 Tb 0.03184865754560 0.75000000000000 0.98977670185401 158.925 > 65 68 Tb 0.53184865754560 0.75000000000000 0.98977670185401 158.925 > 65 69 Tb 0.21815134245440 0.25000000000000 0.23977670185401 158.925 > 69 70 Tb 0.71815134245440 0.25000000000000 0.23977670185401 158.925 > 69 71 Tb 0.21815134245440 0.25000000000000 0.73977670185401 158.925 > 69 72 Tb 0.71815134245440 0.25000000000000 0.73977670185401 158.925 > 69 73 Tb 0.28184865754560 0.75000000000000 0.26022329814599 158.925 > 73 74 Tb 0.78184865754560 0.75000000000000 0.26022329814599 158.925 > 73 75 Tb 0.28184865754560 0.75000000000000 0.76022329814599 158.925 > 73 76 Tb 0.78184865754560 0.75000000000000 0.76022329814599 158.925 > 73 77 Tb 0.46815134245440 0.25000000000000 0.01022329814599 158.925 > 77 78 Tb 0.96815134245440 0.25000000000000 0.01022329814599 158.925 > 77 79 Tb 0.46815134245440 0.25000000000000 0.51022329814599 158.925 > 77 80 Tb 0.96815134245440 0.25000000000000 0.51022329814599 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8962458 0.0000000 0.0000000 0.0000000 4.6302036 0.0000000 0.0000000 0.0000000 4.9075662 -------------------------- Born effective charges -------------------------- 1 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 2 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 3 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 4 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 5 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 6 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 7 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 8 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 9 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 10 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 11 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 12 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 13 Sc 4.1353453 -0.1204547 -0.0963995 -0.1524577 3.9366400 -0.0610694 -0.1909571 -0.2426404 4.0585093 14 Sc 4.1353453 -0.1204547 0.0963995 -0.1524577 3.9366400 0.0610694 0.1909571 0.2426404 4.0585093 15 Sc 4.1353453 0.1204547 0.0963995 0.1524577 3.9366400 -0.0610694 0.1909571 -0.2426404 4.0585093 16 Sc 4.1353453 0.1204547 -0.0963995 0.1524577 3.9366400 0.0610694 -0.1909571 0.2426404 4.0585093 17 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 18 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 19 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 20 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (yzy) -0.00000007 (yzy) -0.00000007 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:01:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:01:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.704904940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.409346840000000 Atomic positions (fractional): 1 O 0.30540842653821 0.56728141369627 0.69184434387133 15.999 2 O 0.19459157346179 0.43271858630373 0.19184434387133 15.999 3 O 0.80540842653821 0.93271858630373 0.80815565612867 15.999 4 O 0.69459157346179 0.06728141369627 0.30815565612867 15.999 5 O 0.69459157346179 0.43271858630373 0.30815565612867 15.999 6 O 0.80540842653821 0.56728141369627 0.80815565612867 15.999 7 O 0.19459157346179 0.06728141369627 0.19184434387133 15.999 8 O 0.30540842653821 0.93271858630373 0.69184434387133 15.999 9 O 0.55462192460306 0.25000000000000 0.87147977091868 15.999 10 O 0.94537807539694 0.75000000000000 0.37147977091868 15.999 11 O 0.05462192460306 0.25000000000000 0.62852022908132 15.999 12 O 0.44537807539694 0.75000000000000 0.12852022908132 15.999 13 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 16 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 17 Tb 0.06369731509121 0.75000000000000 0.97955340370802 158.925 18 Tb 0.43630268490879 0.25000000000000 0.47955340370802 158.925 19 Tb 0.56369731509121 0.75000000000000 0.52044659629198 158.925 20 Tb 0.93630268490879 0.25000000000000 0.02044659629198 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.409809879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880596030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.818693680000001 Atomic positions (fractional): 1 O 0.15270421326911 0.56728141369627 0.34592217193566 15.999 > 1 2 O 0.65270421326911 0.56728141369627 0.34592217193566 15.999 > 1 3 O 0.15270421326911 0.56728141369627 0.84592217193566 15.999 > 1 4 O 0.65270421326911 0.56728141369627 0.84592217193566 15.999 > 1 5 O 0.09729578673089 0.43271858630373 0.09592217193566 15.999 > 5 6 O 0.59729578673089 0.43271858630373 0.09592217193566 15.999 > 5 7 O 0.09729578673089 0.43271858630373 0.59592217193566 15.999 > 5 8 O 0.59729578673089 0.43271858630373 0.59592217193566 15.999 > 5 9 O 0.40270421326911 0.93271858630373 0.40407782806434 15.999 > 9 10 O 0.90270421326911 0.93271858630373 0.40407782806434 15.999 > 9 11 O 0.40270421326911 0.93271858630373 0.90407782806434 15.999 > 9 12 O 0.90270421326911 0.93271858630373 0.90407782806434 15.999 > 9 13 O 0.34729578673089 0.06728141369627 0.15407782806434 15.999 > 13 14 O 0.84729578673089 0.06728141369627 0.15407782806434 15.999 > 13 15 O 0.34729578673089 0.06728141369627 0.65407782806434 15.999 > 13 16 O 0.84729578673089 0.06728141369627 0.65407782806434 15.999 > 13 17 O 0.34729578673089 0.43271858630373 0.15407782806434 15.999 > 17 18 O 0.84729578673089 0.43271858630373 0.15407782806434 15.999 > 17 19 O 0.34729578673089 0.43271858630373 0.65407782806434 15.999 > 17 20 O 0.84729578673089 0.43271858630373 0.65407782806434 15.999 > 17 21 O 0.40270421326911 0.56728141369627 0.40407782806434 15.999 > 21 22 O 0.90270421326911 0.56728141369627 0.40407782806434 15.999 > 21 23 O 0.40270421326911 0.56728141369627 0.90407782806434 15.999 > 21 24 O 0.90270421326911 0.56728141369627 0.90407782806434 15.999 > 21 25 O 0.09729578673089 0.06728141369627 0.09592217193566 15.999 > 25 26 O 0.59729578673089 0.06728141369627 0.09592217193566 15.999 > 25 27 O 0.09729578673089 0.06728141369627 0.59592217193566 15.999 > 25 28 O 0.59729578673089 0.06728141369627 0.59592217193566 15.999 > 25 29 O 0.15270421326911 0.93271858630373 0.34592217193566 15.999 > 29 30 O 0.65270421326911 0.93271858630373 0.34592217193566 15.999 > 29 31 O 0.15270421326911 0.93271858630373 0.84592217193566 15.999 > 29 32 O 0.65270421326911 0.93271858630373 0.84592217193566 15.999 > 29 33 O 0.27731096230153 0.25000000000000 0.43573988545934 15.999 > 33 34 O 0.77731096230153 0.25000000000000 0.43573988545934 15.999 > 33 35 O 0.27731096230153 0.25000000000000 0.93573988545934 15.999 > 33 36 O 0.77731096230153 0.25000000000000 0.93573988545934 15.999 > 33 37 O 0.47268903769847 0.75000000000000 0.18573988545934 15.999 > 37 38 O 0.97268903769847 0.75000000000000 0.18573988545934 15.999 > 37 39 O 0.47268903769847 0.75000000000000 0.68573988545934 15.999 > 37 40 O 0.97268903769847 0.75000000000000 0.68573988545934 15.999 > 37 41 O 0.02731096230153 0.25000000000000 0.31426011454066 15.999 > 41 42 O 0.52731096230153 0.25000000000000 0.31426011454066 15.999 > 41 43 O 0.02731096230153 0.25000000000000 0.81426011454066 15.999 > 41 44 O 0.52731096230153 0.25000000000000 0.81426011454066 15.999 > 41 45 O 0.22268903769847 0.75000000000000 0.06426011454066 15.999 > 45 46 O 0.72268903769847 0.75000000000000 0.06426011454066 15.999 > 45 47 O 0.22268903769847 0.75000000000000 0.56426011454066 15.999 > 45 48 O 0.72268903769847 0.75000000000000 0.56426011454066 15.999 > 45 49 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 49 50 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 49 51 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 49 52 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 49 53 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 53 54 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 53 55 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 53 56 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 53 57 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 57 59 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 57 60 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 57 61 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 61 62 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 61 63 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 61 64 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 61 65 Tb 0.03184865754560 0.75000000000000 0.48977670185401 158.925 > 65 66 Tb 0.53184865754560 0.75000000000000 0.48977670185401 158.925 > 65 67 Tb 0.03184865754560 0.75000000000000 0.98977670185401 158.925 > 65 68 Tb 0.53184865754560 0.75000000000000 0.98977670185401 158.925 > 65 69 Tb 0.21815134245440 0.25000000000000 0.23977670185401 158.925 > 69 70 Tb 0.71815134245440 0.25000000000000 0.23977670185401 158.925 > 69 71 Tb 0.21815134245440 0.25000000000000 0.73977670185401 158.925 > 69 72 Tb 0.71815134245440 0.25000000000000 0.73977670185401 158.925 > 69 73 Tb 0.28184865754560 0.75000000000000 0.26022329814599 158.925 > 73 74 Tb 0.78184865754560 0.75000000000000 0.26022329814599 158.925 > 73 75 Tb 0.28184865754560 0.75000000000000 0.76022329814599 158.925 > 73 76 Tb 0.78184865754560 0.75000000000000 0.76022329814599 158.925 > 73 77 Tb 0.46815134245440 0.25000000000000 0.01022329814599 158.925 > 77 78 Tb 0.96815134245440 0.25000000000000 0.01022329814599 158.925 > 77 79 Tb 0.46815134245440 0.25000000000000 0.51022329814599 158.925 > 77 80 Tb 0.96815134245440 0.25000000000000 0.51022329814599 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8962458 0.0000000 0.0000000 0.0000000 4.6302036 0.0000000 0.0000000 0.0000000 4.9075662 -------------------------- Born effective charges -------------------------- 1 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 2 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 3 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 4 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 5 O -2.9728325 -0.2171142 -0.4308125 -0.2387792 -2.1761034 0.0315454 -0.4030021 -0.0135607 -2.7116964 6 O -2.9728325 -0.2171142 0.4308125 -0.2387792 -2.1761034 -0.0315454 0.4030021 0.0135607 -2.7116964 7 O -2.9728325 0.2171142 0.4308125 0.2387792 -2.1761034 0.0315454 0.4030021 -0.0135607 -2.7116964 8 O -2.9728325 0.2171142 -0.4308125 0.2387792 -2.1761034 -0.0315454 -0.4030021 0.0135607 -2.7116964 9 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 10 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 11 O -2.2065906 0.0000000 0.4713513 0.0000000 -3.0297814 0.0000000 0.4250333 0.0000000 -2.6843853 12 O -2.2065906 0.0000000 -0.4713513 0.0000000 -3.0297814 0.0000000 -0.4250333 0.0000000 -2.6843853 13 Sc 4.1353453 -0.1204547 -0.0963995 -0.1524577 3.9366400 -0.0610694 -0.1909571 -0.2426404 4.0585093 14 Sc 4.1353453 -0.1204547 0.0963995 -0.1524577 3.9366400 0.0610694 0.1909571 0.2426404 4.0585093 15 Sc 4.1353453 0.1204547 0.0963995 0.1524577 3.9366400 -0.0610694 0.1909571 -0.2426404 4.0585093 16 Sc 4.1353453 0.1204547 -0.0963995 0.1524577 3.9366400 0.0610694 -0.1909571 0.2426404 4.0585093 17 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 18 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 19 Tb 4.0169102 0.0000000 -0.1207590 0.0000000 3.4453482 0.0000000 -0.2429556 0.0000000 4.0492688 20 Tb 4.0169102 0.0000000 0.1207590 0.0000000 3.4453482 0.0000000 0.2429556 0.0000000 4.0492688 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yzy) -0.00000007 (yzy) -0.00000007 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.449 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 12.957 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 14.773 ( 0.000 0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 15.019 ( 0.000 0.000 0.000) 0.000 15.191 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.444 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 0.000) 0.000 19.657 ( 0.000 0.000 0.000) 0.000 19.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 33.453 0.000 0.000) 33.453 0.755 ( 37.943 0.000 0.000) 37.943 1.334 ( 65.421 0.000 0.000) 65.421 2.342 ( 1.871 0.000 0.000) 1.871 2.925 ( -2.787 0.000 0.000) 2.787 3.069 ( -4.533 0.000 0.000) 4.533 3.203 ( -13.671 0.000 0.000) 13.671 3.292 ( -2.384 0.000 0.000) 2.384 3.294 ( -3.836 0.000 0.000) 3.836 3.462 ( 4.382 0.000 0.000) 4.382 3.703 ( -0.210 0.000 0.000) 0.210 3.736 ( 13.396 0.000 0.000) 13.396 4.635 ( -10.325 0.000 0.000) 10.325 4.648 ( 2.245 0.000 0.000) 2.245 5.169 ( 12.862 0.000 0.000) 12.862 5.561 ( 0.526 0.000 0.000) 0.526 6.381 ( -0.625 0.000 0.000) 0.625 6.510 ( 0.608 0.000 0.000) 0.608 6.549 ( 10.953 0.000 0.000) 10.953 7.202 ( -9.391 0.000 0.000) 9.391 7.350 ( 6.431 0.000 0.000) 6.431 7.629 ( 11.631 0.000 0.000) 11.631 8.420 ( 5.815 0.000 0.000) 5.815 8.435 ( -12.132 0.000 0.000) 12.132 8.455 ( 0.178 0.000 0.000) 0.178 8.735 ( 2.563 0.000 0.000) 2.563 8.879 ( -4.639 0.000 0.000) 4.639 9.038 ( -5.266 0.000 0.000) 5.266 9.515 ( -3.929 0.000 0.000) 3.929 9.957 ( 5.891 0.000 0.000) 5.891 9.962 ( 7.408 0.000 0.000) 7.408 10.304 ( 4.964 0.000 0.000) 4.964 10.365 ( -2.900 0.000 0.000) 2.900 10.883 ( 1.884 0.000 0.000) 1.884 11.261 ( -8.089 0.000 0.000) 8.089 11.312 ( 0.074 0.000 0.000) 0.074 11.535 ( -4.565 0.000 0.000) 4.565 11.571 ( 4.337 0.000 0.000) 4.337 11.990 ( -13.162 0.000 0.000) 13.162 12.794 ( -6.834 0.000 0.000) 6.834 12.845 ( -9.098 0.000 0.000) 9.098 12.981 ( 1.360 0.000 0.000) 1.360 13.406 ( 8.888 0.000 0.000) 8.888 13.583 ( -5.048 0.000 0.000) 5.048 13.778 ( -6.817 0.000 0.000) 6.817 13.850 ( 0.866 0.000 0.000) 0.866 14.038 ( 0.005 0.000 0.000) 0.005 14.175 ( -0.357 0.000 0.000) 0.357 14.415 ( 13.064 0.000 0.000) 13.064 14.781 ( 0.666 0.000 0.000) 0.666 14.891 ( 5.274 0.000 0.000) 5.274 15.000 ( -1.910 0.000 0.000) 1.910 15.206 ( 1.571 0.000 0.000) 1.571 15.869 ( -5.654 0.000 0.000) 5.654 16.099 ( 5.335 0.000 0.000) 5.335 16.305 ( -2.694 0.000 0.000) 2.694 18.003 ( 8.975 0.000 0.000) 8.975 19.676 ( 1.970 0.000 0.000) 1.970 19.789 ( -0.991 0.000 0.000) 0.991 20.433 ( -3.176 0.000 0.000) 3.176 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 29.301 0.000 0.000) 29.301 1.458 ( 33.594 0.000 0.000) 33.594 2.348 ( -2.512 0.000 0.000) 2.512 2.457 ( 45.756 0.000 0.000) 45.756 2.850 ( -4.120 0.000 0.000) 4.120 2.868 ( -18.986 0.000 0.000) 18.986 2.981 ( -3.335 0.000 0.000) 3.335 3.220 ( -2.273 0.000 0.000) 2.273 3.234 ( -3.141 0.000 0.000) 3.141 3.581 ( 7.252 0.000 0.000) 7.252 3.717 ( 2.573 0.000 0.000) 2.573 4.027 ( 14.624 0.000 0.000) 14.624 4.366 ( -16.433 0.000 0.000) 16.433 4.687 ( 1.120 0.000 0.000) 1.120 5.502 ( 20.391 0.000 0.000) 20.391 5.651 ( 9.178 0.000 0.000) 9.178 6.401 ( 4.260 0.000 0.000) 4.260 6.524 ( 0.640 0.000 0.000) 0.640 6.769 ( 10.281 0.000 0.000) 10.281 7.033 ( -8.015 0.000 0.000) 8.015 7.487 ( 4.710 0.000 0.000) 4.710 7.849 ( 10.614 0.000 0.000) 10.614 8.198 ( -8.209 0.000 0.000) 8.209 8.429 ( -3.341 0.000 0.000) 3.341 8.586 ( 10.867 0.000 0.000) 10.867 8.706 ( -12.883 0.000 0.000) 12.883 8.796 ( 3.356 0.000 0.000) 3.356 8.970 ( -1.562 0.000 0.000) 1.562 9.429 ( -4.215 0.000 0.000) 4.215 10.065 ( 1.832 0.000 0.000) 1.832 10.112 ( 6.628 0.000 0.000) 6.628 10.295 ( -1.734 0.000 0.000) 1.734 10.361 ( -1.763 0.000 0.000) 1.763 10.922 ( 1.697 0.000 0.000) 1.697 11.120 ( -4.340 0.000 0.000) 4.340 11.306 ( -0.607 0.000 0.000) 0.607 11.414 ( -7.397 0.000 0.000) 7.397 11.672 ( 6.293 0.000 0.000) 6.293 11.715 ( -13.640 0.000 0.000) 13.640 12.652 ( -10.341 0.000 0.000) 10.341 12.682 ( -3.090 0.000 0.000) 3.090 12.958 ( -3.453 0.000 0.000) 3.453 13.452 ( -8.248 0.000 0.000) 8.248 13.569 ( -13.931 0.000 0.000) 13.931 13.585 ( 8.914 0.000 0.000) 8.914 13.875 ( 1.635 0.000 0.000) 1.635 14.044 ( 0.792 0.000 0.000) 0.792 14.163 ( -0.899 0.000 0.000) 0.899 14.741 ( 18.558 0.000 0.000) 18.558 14.791 ( 0.278 0.000 0.000) 0.278 14.949 ( -3.242 0.000 0.000) 3.242 15.030 ( 8.130 0.000 0.000) 8.130 15.260 ( 4.452 0.000 0.000) 4.452 15.770 ( -4.157 0.000 0.000) 4.157 16.175 ( 1.955 0.000 0.000) 1.955 16.227 ( -5.317 0.000 0.000) 5.317 18.256 ( 16.634 0.000 0.000) 16.634 19.732 ( 3.764 0.000 0.000) 3.764 19.745 ( -3.913 0.000 0.000) 3.913 20.345 ( -5.653 0.000 0.000) 5.653 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 23.649 0.000 0.000) 23.649 2.007 ( 19.334 0.000 0.000) 19.334 2.238 ( -7.683 0.000 0.000) 7.683 2.561 ( -8.253 0.000 0.000) 8.253 2.693 ( -7.671 0.000 0.000) 7.671 2.946 ( -1.242 0.000 0.000) 1.242 3.007 ( 7.293 0.000 0.000) 7.293 3.181 ( -2.231 0.000 0.000) 2.231 3.295 ( 8.758 0.000 0.000) 8.758 3.710 ( 4.008 0.000 0.000) 4.008 3.850 ( 10.592 0.000 0.000) 10.592 4.044 ( -14.124 0.000 0.000) 14.124 4.268 ( 10.072 0.000 0.000) 10.072 4.672 ( -2.924 0.000 0.000) 2.924 5.900 ( 15.399 0.000 0.000) 15.399 5.926 ( 22.134 0.000 0.000) 22.134 6.522 ( -1.458 0.000 0.000) 1.458 6.611 ( 17.640 0.000 0.000) 17.640 6.884 ( -6.791 0.000 0.000) 6.791 6.929 ( 6.269 0.000 0.000) 6.269 7.408 ( -11.535 0.000 0.000) 11.535 8.029 ( 7.655 0.000 0.000) 7.655 8.269 ( 14.658 0.000 0.000) 14.658 8.305 ( -12.798 0.000 0.000) 12.798 8.404 ( -14.582 0.000 0.000) 14.582 8.810 ( 10.515 0.000 0.000) 10.515 8.860 ( 3.156 0.000 0.000) 3.156 8.958 ( -0.176 0.000 0.000) 0.176 9.377 ( -0.497 0.000 0.000) 0.497 9.913 ( -14.201 0.000 0.000) 14.201 10.180 ( -0.400 0.000 0.000) 0.400 10.204 ( -12.084 0.000 0.000) 12.084 10.409 ( 10.789 0.000 0.000) 10.789 10.926 ( -1.886 0.000 0.000) 1.886 11.116 ( 2.505 0.000 0.000) 2.505 11.276 ( -5.998 0.000 0.000) 5.998 11.300 ( 0.295 0.000 0.000) 0.295 11.493 ( -8.761 0.000 0.000) 8.761 11.823 ( 9.208 0.000 0.000) 9.208 12.447 ( -10.715 0.000 0.000) 10.715 12.698 ( 4.456 0.000 0.000) 4.456 12.882 ( -3.217 0.000 0.000) 3.217 13.266 ( -10.621 0.000 0.000) 10.621 13.275 ( -15.170 0.000 0.000) 15.170 13.742 ( 7.127 0.000 0.000) 7.127 13.908 ( 1.531 0.000 0.000) 1.531 14.068 ( 1.480 0.000 0.000) 1.480 14.140 ( -1.449 0.000 0.000) 1.449 14.791 ( -0.209 0.000 0.000) 0.209 14.881 ( -3.519 0.000 0.000) 3.519 15.047 ( 10.725 0.000 0.000) 10.725 15.169 ( 5.130 0.000 0.000) 5.130 15.423 ( 13.369 0.000 0.000) 13.369 15.727 ( 0.381 0.000 0.000) 0.381 16.102 ( -7.391 0.000 0.000) 7.391 16.158 ( -4.024 0.000 0.000) 4.024 18.627 ( 20.763 0.000 0.000) 20.763 19.621 ( -9.165 0.000 0.000) 9.165 19.822 ( 5.373 0.000 0.000) 5.373 20.220 ( -7.058 0.000 0.000) 7.058 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -2.662 0.000 0.000) 2.662 2.109 ( -4.137 0.000 0.000) 4.137 2.205 ( 17.722 0.000 0.000) 17.722 2.497 ( -12.372 0.000 0.000) 12.372 2.677 ( 13.500 0.000 0.000) 13.500 2.881 ( -6.526 0.000 0.000) 6.526 3.089 ( 3.442 0.000 0.000) 3.442 3.143 ( -2.027 0.000 0.000) 2.027 3.427 ( 6.516 0.000 0.000) 6.516 3.607 ( -11.441 0.000 0.000) 11.441 3.965 ( 3.231 0.000 0.000) 3.231 3.995 ( 2.257 0.000 0.000) 2.257 4.437 ( 7.771 0.000 0.000) 7.771 4.577 ( -6.439 0.000 0.000) 6.439 6.205 ( 14.812 0.000 0.000) 14.812 6.332 ( 18.849 0.000 0.000) 18.849 6.436 ( -8.086 0.000 0.000) 8.086 6.640 ( -12.438 0.000 0.000) 12.438 7.033 ( 5.261 0.000 0.000) 5.261 7.175 ( -10.142 0.000 0.000) 10.142 7.182 ( 32.535 0.000 0.000) 32.535 7.830 ( -31.244 0.000 0.000) 31.244 8.151 ( 5.200 0.000 0.000) 5.200 8.250 ( -5.429 0.000 0.000) 5.429 8.629 ( 19.120 0.000 0.000) 19.120 8.892 ( -4.882 0.000 0.000) 4.882 8.915 ( 2.402 0.000 0.000) 2.402 8.949 ( -1.006 0.000 0.000) 1.006 9.430 ( 6.329 0.000 0.000) 6.329 9.626 ( -13.466 0.000 0.000) 13.466 10.031 ( -2.511 0.000 0.000) 2.511 10.099 ( -6.488 0.000 0.000) 6.488 10.637 ( 11.658 0.000 0.000) 11.658 10.833 ( -7.788 0.000 0.000) 7.788 11.164 ( 1.889 0.000 0.000) 1.889 11.198 ( -2.243 0.000 0.000) 2.243 11.320 ( 1.763 0.000 0.000) 1.763 11.373 ( -3.956 0.000 0.000) 3.956 12.021 ( 10.823 0.000 0.000) 10.823 12.235 ( -10.989 0.000 0.000) 10.989 12.834 ( 8.693 0.000 0.000) 8.693 12.870 ( 2.497 0.000 0.000) 2.497 13.019 ( -10.016 0.000 0.000) 10.016 13.053 ( -10.745 0.000 0.000) 10.745 13.859 ( 4.706 0.000 0.000) 4.706 13.917 ( -1.087 0.000 0.000) 1.087 14.094 ( 1.069 0.000 0.000) 1.069 14.113 ( -1.125 0.000 0.000) 1.125 14.792 ( 0.593 0.000 0.000) 0.593 14.821 ( -2.398 0.000 0.000) 2.398 15.172 ( 3.663 0.000 0.000) 3.663 15.213 ( -0.347 0.000 0.000) 0.347 15.731 ( 15.813 0.000 0.000) 15.813 15.793 ( 5.876 0.000 0.000) 5.876 15.949 ( -7.703 0.000 0.000) 7.703 16.013 ( -10.711 0.000 0.000) 10.711 19.032 ( 20.027 0.000 0.000) 20.027 19.382 ( -15.357 0.000 0.000) 15.357 19.940 ( 6.680 0.000 0.000) 6.680 20.078 ( -7.348 0.000 0.000) 7.348 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 0.000 32.563 0.000) 32.563 0.807 ( 0.000 37.378 0.000) 37.378 1.235 ( 0.000 52.301 0.000) 52.301 2.382 ( 0.000 3.949 0.000) 3.949 2.630 ( 0.000 -15.769 0.000) 15.769 3.134 ( 0.000 1.839 0.000) 1.839 3.212 ( 0.000 -11.426 0.000) 11.426 3.339 ( 0.000 -6.396 0.000) 6.396 3.421 ( 0.000 9.381 0.000) 9.381 3.578 ( 0.000 -9.162 0.000) 9.162 3.605 ( 0.000 15.340 0.000) 15.340 4.585 ( 0.000 -5.535 0.000) 5.535 4.658 ( 0.000 -5.072 0.000) 5.072 4.989 ( 0.000 -4.413 0.000) 4.413 5.139 ( 0.000 11.220 0.000) 11.220 5.675 ( 0.000 9.629 0.000) 9.629 5.863 ( 0.000 -3.981 0.000) 3.981 6.464 ( 0.000 3.974 0.000) 3.974 6.762 ( 0.000 23.036 0.000) 23.036 6.986 ( 0.000 -6.922 0.000) 6.922 7.298 ( 0.000 -7.214 0.000) 7.214 7.328 ( 0.000 4.125 0.000) 4.125 8.207 ( 0.000 -14.542 0.000) 14.542 8.466 ( 0.000 6.098 0.000) 6.098 8.681 ( 0.000 1.190 0.000) 1.190 8.928 ( 0.000 1.955 0.000) 1.955 9.077 ( 0.000 -2.206 0.000) 2.206 9.273 ( 0.000 -5.409 0.000) 5.409 9.556 ( 0.000 0.199 0.000) 0.199 9.866 ( 0.000 -2.137 0.000) 2.137 9.930 ( 0.000 2.938 0.000) 2.938 10.105 ( 0.000 -9.248 0.000) 9.248 10.409 ( 0.000 2.625 0.000) 2.625 10.675 ( 0.000 2.952 0.000) 2.952 10.976 ( 0.000 -2.174 0.000) 2.174 11.224 ( 0.000 -7.619 0.000) 7.619 11.469 ( 0.000 8.991 0.000) 8.991 11.655 ( 0.000 6.942 0.000) 6.942 12.716 ( 0.000 -17.369 0.000) 17.369 12.756 ( 0.000 -9.864 0.000) 9.864 13.047 ( 0.000 8.018 0.000) 8.018 13.054 ( 0.000 0.019 0.000) 0.019 13.330 ( 0.000 -6.362 0.000) 6.362 13.372 ( 0.000 5.682 0.000) 5.682 13.827 ( 0.000 -1.022 0.000) 1.022 13.982 ( 0.000 -4.906 0.000) 4.906 14.012 ( 0.000 23.896 0.000) 23.896 14.096 ( 0.000 5.137 0.000) 5.137 14.660 ( 0.000 -5.783 0.000) 5.783 14.859 ( 0.000 3.594 0.000) 3.594 14.901 ( 0.000 5.197 0.000) 5.197 15.042 ( 0.000 2.060 0.000) 2.060 15.186 ( 0.000 -0.354 0.000) 0.354 15.933 ( 0.000 -3.836 0.000) 3.836 15.943 ( 0.000 -4.352 0.000) 4.352 16.250 ( 0.000 -16.633 0.000) 16.633 18.053 ( 0.000 11.409 0.000) 11.409 18.915 ( 0.000 -3.914 0.000) 3.914 19.656 ( 0.000 -0.037 0.000) 0.037 19.776 ( 0.000 -1.789 0.000) 1.789 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 18.832 20.132 0.000) 27.568 1.009 ( 22.052 22.564 0.000) 31.550 1.829 ( 46.388 34.599 0.000) 57.870 2.390 ( 0.714 2.677 0.000) 2.771 2.599 ( -3.596 -17.290 0.000) 17.661 3.084 ( -4.827 0.996 0.000) 4.928 3.134 ( -7.441 -9.156 0.000) 11.798 3.285 ( -3.898 -2.476 0.000) 4.617 3.490 ( -5.688 4.482 0.000) 7.242 3.490 ( 5.468 5.717 0.000) 7.911 3.641 ( 0.317 3.621 0.000) 3.635 4.513 ( -8.822 -8.813 0.000) 12.470 4.515 ( -20.657 41.470 0.000) 46.330 4.676 ( 3.456 0.587 0.000) 3.505 5.119 ( 12.623 -4.613 0.000) 13.439 5.614 ( -2.649 4.451 0.000) 5.180 6.201 ( 12.577 -10.704 0.000) 16.515 6.575 ( 9.289 2.693 0.000) 9.672 6.767 ( 0.388 22.936 0.000) 22.939 7.026 ( -2.450 -11.070 0.000) 11.338 7.395 ( 6.510 4.138 0.000) 7.714 7.478 ( 15.005 -9.984 0.000) 18.023 8.192 ( -2.130 -12.786 0.000) 12.962 8.479 ( 2.485 5.507 0.000) 6.042 8.601 ( -7.273 2.917 0.000) 7.837 8.874 ( -5.246 -0.080 0.000) 5.246 9.017 ( -5.249 -1.744 0.000) 5.531 9.039 ( -9.822 10.301 0.000) 14.234 9.530 ( -1.565 2.999 0.000) 3.383 9.912 ( 5.141 -2.483 0.000) 5.709 9.996 ( 4.730 0.393 0.000) 4.746 10.277 ( 8.893 -4.510 0.000) 9.972 10.402 ( -0.716 4.214 0.000) 4.274 10.734 ( 3.012 -8.807 0.000) 9.308 11.055 ( 1.963 -10.564 0.000) 10.745 11.222 ( -0.422 -7.948 0.000) 7.960 11.493 ( 2.607 7.612 0.000) 8.046 11.612 ( -4.281 7.078 0.000) 8.272 12.411 ( -22.072 8.023 0.000) 23.485 12.690 ( -5.592 -8.728 0.000) 10.366 12.920 ( -2.811 -2.195 0.000) 3.566 12.940 ( -9.213 8.022 0.000) 12.216 13.409 ( -0.353 -10.601 0.000) 10.607 13.459 ( 7.102 3.932 0.000) 8.118 13.755 ( -7.452 -1.887 0.000) 7.687 13.998 ( 1.516 -3.342 0.000) 3.670 14.053 ( -2.363 11.644 0.000) 11.881 14.158 ( 5.728 6.590 0.000) 8.731 14.596 ( 2.133 5.635 0.000) 6.025 14.813 ( -0.392 4.391 0.000) 4.408 14.949 ( 4.811 4.895 0.000) 6.863 15.026 ( -1.667 2.398 0.000) 2.921 15.201 ( 1.424 -0.500 0.000) 1.510 15.827 ( -5.476 -3.534 0.000) 6.517 16.044 ( 4.872 -4.994 0.000) 6.977 16.170 ( -3.523 -12.724 0.000) 13.202 18.125 ( 7.896 10.515 0.000) 13.149 19.629 ( 34.273 -40.299 0.000) 52.902 19.673 ( 1.782 -0.187 0.000) 1.791 19.771 ( -0.771 -1.596 0.000) 1.773 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 20.213 4.346 0.000) 20.675 1.523 ( 27.708 6.608 0.000) 28.486 2.402 ( 0.218 2.698 0.000) 2.707 2.454 ( -8.559 -18.397 0.000) 20.291 2.713 ( 35.151 17.942 0.000) 39.465 2.971 ( -7.750 -3.696 0.000) 8.587 2.973 ( -5.650 -1.125 0.000) 5.761 3.212 ( -3.303 -1.624 0.000) 3.680 3.388 ( -3.585 9.258 0.000) 9.928 3.604 ( 5.596 3.150 0.000) 6.421 3.633 ( 0.556 -1.361 0.000) 1.471 4.267 ( -15.505 -7.376 0.000) 17.169 4.429 ( 5.341 31.391 0.000) 31.842 4.770 ( 5.429 5.927 0.000) 8.038 5.444 ( 19.687 -5.272 0.000) 20.381 5.670 ( 9.105 1.560 0.000) 9.238 6.360 ( 7.273 -1.847 0.000) 7.504 6.769 ( -0.577 21.967 0.000) 21.974 6.812 ( 12.993 2.497 0.000) 13.231 6.935 ( -4.965 -8.414 0.000) 9.769 7.538 ( 5.646 4.527 0.000) 7.237 7.736 ( 11.210 -10.257 0.000) 15.194 8.128 ( -2.152 -5.613 0.000) 6.011 8.454 ( -7.003 1.157 0.000) 7.098 8.582 ( 7.614 2.004 0.000) 7.874 8.705 ( -12.368 -0.087 0.000) 12.368 8.932 ( -2.750 -3.603 0.000) 4.532 8.939 ( -2.518 6.766 0.000) 7.220 9.505 ( -0.686 8.711 0.000) 8.738 10.035 ( -0.981 -2.722 0.000) 2.893 10.054 ( 7.456 -3.843 0.000) 8.388 10.375 ( -0.860 1.267 0.000) 1.531 10.386 ( -0.755 6.804 0.000) 6.846 10.788 ( 2.946 -9.941 0.000) 10.369 11.030 ( -1.163 -10.744 0.000) 10.807 11.204 ( -1.200 -8.754 0.000) 8.835 11.501 ( -6.424 7.920 0.000) 10.197 11.526 ( -0.715 4.067 0.000) 4.129 12.087 ( -10.051 15.415 0.000) 18.402 12.598 ( -2.568 -7.326 0.000) 7.763 12.738 ( -10.849 7.319 0.000) 13.087 12.866 ( -3.393 -7.072 0.000) 7.844 13.333 ( -6.659 -8.703 0.000) 10.958 13.503 ( -11.121 -5.082 0.000) 12.227 13.649 ( 5.229 4.704 0.000) 7.034 14.004 ( -1.812 8.520 0.000) 8.711 14.032 ( 1.888 -1.237 0.000) 2.258 14.185 ( -1.069 2.702 0.000) 2.905 14.771 ( 6.759 1.472 0.000) 6.917 14.855 ( 8.651 6.562 0.000) 10.858 14.973 ( -3.228 2.294 0.000) 3.960 15.075 ( 6.819 3.753 0.000) 7.783 15.254 ( 4.705 -0.373 0.000) 4.720 15.734 ( -3.716 -2.920 0.000) 4.726 16.111 ( -3.321 -10.333 0.000) 10.853 16.114 ( 1.914 -5.549 0.000) 5.870 18.354 ( 15.259 8.731 0.000) 17.580 19.722 ( 2.934 -0.869 0.000) 3.060 19.734 ( -3.212 -0.962 0.000) 3.353 19.984 ( 6.944 -27.927 0.000) 28.778 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 13.272 -7.815 0.000) 15.402 1.989 ( 14.571 -1.260 0.000) 14.625 2.275 ( -3.062 -16.180 0.000) 16.467 2.408 ( 1.317 8.645 0.000) 8.745 2.840 ( -5.526 3.509 0.000) 6.546 2.884 ( -3.708 -5.167 0.000) 6.359 3.066 ( 2.786 5.204 0.000) 5.903 3.162 ( -1.835 -1.338 0.000) 2.271 3.406 ( 3.262 7.342 0.000) 8.035 3.688 ( 2.455 -1.175 0.000) 2.722 3.721 ( 7.070 -7.363 0.000) 10.207 3.947 ( -16.002 -5.865 0.000) 17.043 4.602 ( 11.382 27.773 0.000) 30.015 4.863 ( 3.599 13.952 0.000) 14.409 5.846 ( 20.535 -6.886 0.000) 21.659 5.925 ( 14.952 2.091 0.000) 15.097 6.592 ( 15.991 0.710 0.000) 16.007 6.721 ( -5.064 17.914 0.000) 18.616 6.818 ( -2.400 -3.743 0.000) 4.447 7.073 ( 11.114 7.231 0.000) 13.259 7.519 ( -6.530 9.570 0.000) 11.585 7.928 ( 8.679 -9.258 0.000) 12.690 8.203 ( 3.970 -5.181 0.000) 6.527 8.333 ( -5.850 2.059 0.000) 6.202 8.418 ( -11.329 0.907 0.000) 11.366 8.743 ( 7.705 -2.601 0.000) 8.132 8.900 ( -1.708 0.611 0.000) 1.814 8.901 ( -0.809 -5.473 0.000) 5.532 9.516 ( 1.809 12.599 0.000) 12.729 9.896 ( -11.244 -0.783 0.000) 11.272 10.206 ( 4.464 0.699 0.000) 4.518 10.230 ( -11.488 2.409 0.000) 11.738 10.382 ( 2.088 -1.022 0.000) 2.325 10.808 ( -2.041 -8.407 0.000) 8.651 11.092 ( 6.448 -9.075 0.000) 11.133 11.189 ( -0.115 -9.756 0.000) 9.757 11.394 ( -3.829 10.485 0.000) 11.162 11.453 ( -5.435 5.170 0.000) 7.501 12.023 ( 2.267 13.187 0.000) 13.380 12.516 ( -10.776 5.843 0.000) 12.258 12.624 ( 4.091 -6.491 0.000) 7.673 12.802 ( -2.316 -7.255 0.000) 7.615 13.167 ( -9.989 -7.848 0.000) 12.703 13.222 ( -15.131 -4.732 0.000) 15.854 13.786 ( 7.031 3.821 0.000) 8.002 13.988 ( -0.161 5.984 0.000) 5.986 14.069 ( 1.818 -0.088 0.000) 1.820 14.153 ( -1.926 1.288 0.000) 2.317 14.803 ( 0.181 1.302 0.000) 1.315 14.903 ( -3.656 2.184 0.000) 4.258 15.062 ( 7.476 0.888 0.000) 7.528 15.182 ( 3.331 0.814 0.000) 3.429 15.430 ( 13.759 1.109 0.000) 13.804 15.704 ( 1.122 -1.646 0.000) 1.992 16.028 ( -5.227 -6.576 0.000) 8.400 16.104 ( -3.332 -4.963 0.000) 5.978 18.697 ( 19.327 6.467 0.000) 20.380 19.621 ( -8.386 0.129 0.000) 8.387 19.794 ( 4.077 -2.470 0.000) 4.767 20.022 ( -1.464 -16.945 0.000) 17.008 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 6.072 -12.069 0.000) 13.511 1.951 ( -7.362 -9.798 0.000) 12.255 2.476 ( 10.875 -7.524 0.000) 13.224 2.481 ( 5.549 9.754 0.000) 11.222 2.739 ( -3.379 7.637 0.000) 8.351 2.799 ( -5.715 -5.677 0.000) 8.056 3.090 ( 1.835 -0.081 0.000) 1.837 3.131 ( -1.817 -1.229 0.000) 2.194 3.464 ( 4.166 3.170 0.000) 5.234 3.609 ( -10.244 0.666 0.000) 10.266 3.781 ( -0.023 -10.821 0.000) 10.821 3.793 ( 0.285 -12.092 0.000) 12.096 4.807 ( 7.956 27.173 0.000) 28.314 4.892 ( -1.046 22.362 0.000) 22.387 6.196 ( 11.652 -2.054 0.000) 11.832 6.198 ( 13.511 -9.980 0.000) 16.798 6.573 ( -8.230 12.511 0.000) 14.975 6.591 ( -8.411 0.652 0.000) 8.436 7.198 ( 28.846 5.045 0.000) 29.283 7.261 ( 11.561 11.738 0.000) 16.475 7.381 ( -6.674 15.891 0.000) 17.236 7.849 ( -30.077 1.514 0.000) 30.115 8.074 ( 6.418 -6.550 0.000) 9.170 8.189 ( -5.803 -4.823 0.000) 7.546 8.615 ( 15.381 -1.452 0.000) 15.449 8.808 ( -3.107 -6.184 0.000) 6.921 8.887 ( 0.540 -2.643 0.000) 2.698 8.892 ( -0.246 -5.430 0.000) 5.435 9.560 ( 2.677 11.010 0.000) 11.331 9.673 ( -9.716 4.603 0.000) 10.751 10.069 ( -1.875 3.558 0.000) 4.021 10.149 ( -7.053 4.483 0.000) 8.357 10.527 ( 10.141 -8.880 0.000) 13.479 10.709 ( -7.739 -9.241 0.000) 12.054 11.194 ( 2.630 -9.106 0.000) 9.478 11.200 ( 0.914 -10.513 0.000) 10.552 11.358 ( -0.329 13.141 0.000) 13.145 11.372 ( -2.216 10.498 0.000) 10.729 12.126 ( 7.629 8.612 0.000) 11.505 12.305 ( -10.396 6.197 0.000) 12.102 12.760 ( 9.111 -7.438 0.000) 11.762 12.810 ( 3.766 -6.492 0.000) 7.505 12.959 ( -11.056 -4.721 0.000) 12.022 12.960 ( -10.823 -7.062 0.000) 12.923 13.906 ( 5.095 3.922 0.000) 6.430 13.975 ( -1.817 4.636 0.000) 4.980 14.098 ( 1.090 0.269 0.000) 1.123 14.119 ( -1.361 0.508 0.000) 1.453 14.809 ( 0.786 1.720 0.000) 1.891 14.841 ( -2.521 1.974 0.000) 3.202 15.155 ( 3.131 -1.765 0.000) 3.595 15.198 ( -1.153 -1.568 0.000) 1.946 15.723 ( 14.234 -0.553 0.000) 14.245 15.775 ( 5.431 -1.329 0.000) 5.591 15.913 ( -6.013 -3.148 0.000) 6.787 15.979 ( -9.337 -3.070 0.000) 9.829 19.075 ( 18.691 4.037 0.000) 19.122 19.401 ( -14.261 1.832 0.000) 14.378 19.878 ( 4.502 -5.475 0.000) 7.089 19.963 ( -4.023 -10.101 0.000) 10.872 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 29.968 0.000) 29.968 1.562 ( 0.000 33.464 0.000) 33.464 2.049 ( 0.000 21.126 0.000) 21.126 2.341 ( 0.000 -10.624 0.000) 10.624 2.381 ( 0.000 -6.539 0.000) 6.539 2.862 ( 0.000 -21.131 0.000) 21.131 3.194 ( 0.000 3.277 0.000) 3.277 3.244 ( 0.000 -1.116 0.000) 1.116 3.502 ( 0.000 5.681 0.000) 5.681 3.682 ( 0.000 14.662 0.000) 14.662 3.828 ( 0.000 3.962 0.000) 3.962 4.349 ( 0.000 -14.516 0.000) 14.516 4.621 ( 0.000 0.824 0.000) 0.824 4.857 ( 0.000 -7.653 0.000) 7.653 5.382 ( 0.000 10.720 0.000) 10.720 5.747 ( 0.000 -6.785 0.000) 6.785 5.973 ( 0.000 17.900 0.000) 17.900 6.592 ( 0.000 7.865 0.000) 7.865 6.762 ( 0.000 -13.843 0.000) 13.843 7.089 ( 0.000 -11.966 0.000) 11.966 7.378 ( 0.000 30.193 0.000) 30.193 7.461 ( 0.000 10.719 0.000) 10.719 7.903 ( 0.000 -13.705 0.000) 13.705 8.538 ( 0.000 -14.591 0.000) 14.591 8.644 ( 0.000 10.288 0.000) 10.288 8.988 ( 0.000 2.435 0.000) 2.435 9.037 ( 0.000 -1.329 0.000) 1.329 9.109 ( 0.000 -9.693 0.000) 9.693 9.581 ( 0.000 2.571 0.000) 2.571 9.829 ( 0.000 -0.602 0.000) 0.602 9.878 ( 0.000 -10.996 0.000) 10.996 9.932 ( 0.000 -2.687 0.000) 2.687 10.540 ( 0.000 9.359 0.000) 9.359 10.756 ( 0.000 4.428 0.000) 4.428 10.924 ( 0.000 -2.915 0.000) 2.915 11.015 ( 0.000 -11.427 0.000) 11.427 11.701 ( 0.000 12.521 0.000) 12.521 11.869 ( 0.000 12.977 0.000) 12.977 12.336 ( 0.000 -17.470 0.000) 17.470 12.498 ( 0.000 -14.072 0.000) 14.072 13.065 ( 0.000 1.206 0.000) 1.206 13.207 ( 0.000 -5.326 0.000) 5.326 13.260 ( 0.000 10.950 0.000) 10.950 13.478 ( 0.000 3.264 0.000) 3.264 13.798 ( 0.000 -1.568 0.000) 1.568 13.859 ( 0.000 -5.886 0.000) 5.886 14.225 ( 0.000 6.995 0.000) 6.995 14.527 ( 0.000 -6.739 0.000) 6.739 14.536 ( 0.000 23.639 0.000) 23.639 14.919 ( 0.000 1.750 0.000) 1.750 15.028 ( 0.000 5.920 0.000) 5.920 15.095 ( 0.000 2.440 0.000) 2.440 15.191 ( 0.000 1.702 0.000) 1.702 15.818 ( 0.000 -22.705 0.000) 22.705 15.834 ( 0.000 -4.971 0.000) 4.971 15.834 ( 0.000 -4.950 0.000) 4.950 18.327 ( 0.000 13.369 0.000) 13.369 18.791 ( 0.000 -7.736 0.000) 7.736 19.660 ( 0.000 0.574 0.000) 0.574 19.729 ( 0.000 -2.413 0.000) 2.413 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.608 25.283 0.000) 25.700 1.552 ( 3.394 25.957 0.000) 26.178 2.249 ( 0.499 -6.447 0.000) 6.466 2.325 ( -1.218 -11.284 0.000) 11.350 2.456 ( 20.158 9.774 0.000) 22.402 2.869 ( -0.294 -14.870 0.000) 14.873 3.112 ( -6.240 2.853 0.000) 6.861 3.243 ( -1.785 -0.949 0.000) 2.021 3.513 ( 1.243 8.668 0.000) 8.757 3.702 ( 1.711 12.780 0.000) 12.894 3.833 ( -0.343 5.483 0.000) 5.494 4.280 ( -6.781 -12.751 0.000) 14.442 4.701 ( 7.941 2.709 0.000) 8.391 4.983 ( 12.159 -7.954 0.000) 14.530 5.183 ( -10.171 22.820 0.000) 24.984 5.679 ( -7.101 -1.410 0.000) 7.239 6.106 ( 13.557 5.027 0.000) 14.459 6.672 ( 3.603 4.612 0.000) 5.853 6.769 ( 1.753 -11.639 0.000) 11.770 7.219 ( 11.302 -14.144 0.000) 18.105 7.385 ( 0.231 32.382 0.000) 32.383 7.519 ( 5.826 7.791 0.000) 9.729 7.926 ( 2.305 -11.864 0.000) 12.086 8.506 ( -3.426 -12.724 0.000) 13.177 8.641 ( 0.390 9.326 0.000) 9.334 8.896 ( -7.866 1.873 0.000) 8.086 8.976 ( -6.419 -1.956 0.000) 6.711 9.042 ( -4.719 -6.577 0.000) 8.095 9.657 ( 6.946 7.852 0.000) 10.484 9.867 ( 4.010 -1.112 0.000) 4.161 9.957 ( 1.721 -3.550 0.000) 3.945 10.083 ( 16.619 -11.819 0.000) 20.393 10.551 ( 0.802 9.226 0.000) 9.261 10.684 ( -5.906 2.788 0.000) 6.531 10.899 ( -3.609 -5.899 0.000) 6.916 11.008 ( -0.902 -11.426 0.000) 11.461 11.714 ( 1.053 12.260 0.000) 12.305 11.828 ( -3.873 13.083 0.000) 13.645 12.293 ( -3.929 -12.983 0.000) 13.564 12.450 ( -4.130 -13.481 0.000) 14.099 12.958 ( -8.470 4.070 0.000) 9.397 13.152 ( -9.374 11.133 0.000) 14.554 13.210 ( -1.375 -8.152 0.000) 8.267 13.501 ( -0.656 -1.924 0.000) 2.033 13.736 ( -2.983 1.474 0.000) 3.327 13.913 ( 3.713 -4.475 0.000) 5.815 14.204 ( -2.062 6.229 0.000) 6.562 14.376 ( -7.437 4.154 0.000) 8.518 14.706 ( 9.133 10.077 0.000) 13.600 14.923 ( 1.038 4.001 0.000) 4.134 15.060 ( 2.108 4.662 0.000) 5.116 15.096 ( 0.605 3.623 0.000) 3.673 15.203 ( 1.629 2.169 0.000) 2.712 15.751 ( -4.172 -2.561 0.000) 4.895 15.810 ( 0.073 -19.835 0.000) 19.835 15.905 ( 3.237 -7.500 0.000) 8.169 18.394 ( 7.177 14.015 0.000) 15.746 19.043 ( 20.138 -19.221 0.000) 27.839 19.673 ( 1.268 0.306 0.000) 1.304 19.729 ( -0.193 -2.101 0.000) 2.110 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.912 15.278 0.000) 16.382 1.722 ( 12.750 11.042 0.000) 16.867 2.137 ( -7.998 -11.182 0.000) 13.748 2.311 ( 0.119 -13.146 0.000) 13.147 2.845 ( -0.825 -6.355 0.000) 6.408 2.873 ( 14.835 -5.059 0.000) 15.674 2.984 ( -6.325 3.938 0.000) 7.451 3.183 ( -3.577 -1.853 0.000) 4.029 3.563 ( 3.131 14.067 0.000) 14.411 3.725 ( 0.144 7.869 0.000) 7.870 3.786 ( -4.005 7.733 0.000) 8.708 4.098 ( -11.556 -8.445 0.000) 14.313 4.908 ( 12.549 7.419 0.000) 14.578 5.121 ( 3.146 30.412 0.000) 30.574 5.292 ( 18.473 -8.808 0.000) 20.466 5.696 ( 10.112 -0.019 0.000) 10.112 6.363 ( 12.605 2.057 0.000) 12.772 6.708 ( 0.906 -11.922 0.000) 11.957 6.881 ( 10.581 5.159 0.000) 11.772 7.357 ( -4.100 30.338 0.000) 30.614 7.442 ( 10.858 -16.626 0.000) 19.858 7.660 ( 7.326 6.599 0.000) 9.859 7.998 ( 5.395 -5.785 0.000) 7.911 8.409 ( -5.606 -7.692 0.000) 9.518 8.677 ( 3.167 6.430 0.000) 7.167 8.708 ( -11.762 0.749 0.000) 11.786 8.830 ( -7.073 -5.225 0.000) 8.794 8.958 ( -4.070 -3.932 0.000) 5.659 9.797 ( 6.050 16.811 0.000) 17.866 9.968 ( -0.226 -2.830 0.000) 2.839 9.979 ( 6.364 -3.085 0.000) 7.073 10.384 ( 9.610 -3.347 0.000) 10.176 10.544 ( -2.384 8.011 0.000) 8.358 10.578 ( -2.025 -6.690 0.000) 6.990 10.785 ( -6.787 -10.602 0.000) 12.588 10.973 ( -2.619 -12.065 0.000) 12.346 11.723 ( -0.663 12.237 0.000) 12.255 11.741 ( -4.263 14.243 0.000) 14.867 12.220 ( -2.384 -4.331 0.000) 4.944 12.380 ( -1.957 -12.892 0.000) 13.040 12.788 ( -8.360 2.473 0.000) 8.719 12.939 ( -11.935 10.800 0.000) 16.096 13.134 ( -6.301 -9.812 0.000) 11.661 13.362 ( -12.340 -8.123 0.000) 14.773 13.768 ( 5.221 6.170 0.000) 8.083 13.986 ( 3.666 -3.235 0.000) 4.889 14.152 ( -2.896 5.567 0.000) 6.275 14.258 ( -4.592 2.342 0.000) 5.155 14.831 ( 2.864 4.638 0.000) 5.451 14.984 ( 4.564 2.918 0.000) 5.417 15.042 ( -2.834 4.064 0.000) 4.954 15.150 ( 3.000 2.044 0.000) 3.630 15.285 ( 7.697 5.413 0.000) 9.409 15.688 ( -1.684 0.053 0.000) 1.685 15.830 ( 1.511 -15.198 0.000) 15.272 15.956 ( 1.783 -8.853 0.000) 9.031 18.599 ( 13.379 14.004 0.000) 19.368 19.397 ( 14.448 -25.154 0.000) 29.008 19.703 ( 1.299 -0.771 0.000) 1.510 19.711 ( -1.831 -1.068 0.000) 2.119 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.601 6.734 0.000) 8.156 1.952 ( -2.250 -2.673 0.000) 3.494 2.017 ( 7.934 -6.751 0.000) 10.417 2.331 ( 1.520 -16.202 0.000) 16.273 2.842 ( 1.120 -1.041 0.000) 1.529 2.885 ( -3.362 6.231 0.000) 7.080 3.028 ( 2.671 -9.326 0.000) 9.701 3.124 ( -2.375 -2.880 0.000) 3.733 3.561 ( -2.826 9.205 0.000) 9.629 3.697 ( -2.975 2.408 0.000) 3.828 3.717 ( -3.429 3.482 0.000) 4.887 3.854 ( -12.666 -3.416 0.000) 13.118 5.157 ( 12.111 13.218 0.000) 17.927 5.265 ( 9.535 31.011 0.000) 32.443 5.660 ( 18.309 -10.292 0.000) 21.004 5.954 ( 12.054 -1.042 0.000) 12.099 6.666 ( 14.327 4.769 0.000) 15.100 6.740 ( 9.617 -2.549 0.000) 9.950 7.161 ( 16.396 2.532 0.000) 16.590 7.201 ( -11.664 24.679 0.000) 27.297 7.657 ( 11.947 -15.690 0.000) 19.721 7.745 ( 0.026 8.263 0.000) 8.263 8.087 ( 0.371 -3.062 0.000) 3.084 8.382 ( 5.016 0.512 0.000) 5.042 8.426 ( -16.271 0.892 0.000) 16.295 8.727 ( -3.244 -10.561 0.000) 11.048 8.738 ( 1.963 2.045 0.000) 2.835 8.877 ( -4.137 -2.484 0.000) 4.825 9.869 ( 1.318 19.685 0.000) 19.729 9.909 ( -4.901 2.331 0.000) 5.427 10.138 ( 9.032 -6.313 0.000) 11.019 10.305 ( -10.046 4.574 0.000) 11.038 10.442 ( -7.833 6.418 0.000) 10.127 10.620 ( -3.932 -8.901 0.000) 9.731 10.770 ( 7.917 -18.619 0.000) 20.232 10.921 ( -2.162 -14.340 0.000) 14.502 11.693 ( -0.400 16.836 0.000) 16.841 11.696 ( -1.108 15.026 0.000) 15.067 12.225 ( 2.692 1.405 0.000) 3.037 12.396 ( 3.387 -13.316 0.000) 13.741 12.650 ( -5.353 -2.625 0.000) 5.962 12.703 ( -11.761 9.640 0.000) 15.207 12.979 ( -9.026 -9.627 0.000) 13.197 13.090 ( -14.381 -7.511 0.000) 16.224 13.886 ( 6.220 5.134 0.000) 8.066 14.052 ( 2.936 -1.838 0.000) 3.463 14.107 ( -1.674 4.666 0.000) 4.957 14.185 ( -3.210 1.141 0.000) 3.407 14.856 ( 0.573 3.890 0.000) 3.932 14.974 ( -3.781 4.449 0.000) 5.839 15.050 ( 2.303 -2.588 0.000) 3.464 15.172 ( -0.793 -2.407 0.000) 2.534 15.494 ( 12.408 5.296 0.000) 13.491 15.698 ( 2.464 2.049 0.000) 3.205 15.850 ( 0.162 -9.590 0.000) 9.592 15.963 ( -1.354 -7.798 0.000) 7.915 18.893 ( 16.167 11.876 0.000) 20.060 19.602 ( 7.160 -20.735 0.000) 21.936 19.631 ( -6.190 0.964 0.000) 6.264 19.729 ( 0.859 -3.304 0.000) 3.414 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.572 2.354 0.000) 5.143 1.818 ( -6.590 -0.846 0.000) 6.644 2.235 ( 9.042 -13.956 0.000) 16.629 2.339 ( -1.733 -18.407 0.000) 18.489 2.860 ( 0.519 7.638 0.000) 7.656 2.870 ( 0.685 3.999 0.000) 4.057 3.046 ( 0.822 -4.645 0.000) 4.717 3.082 ( -2.197 -3.398 0.000) 4.046 3.537 ( 1.651 3.812 0.000) 4.154 3.626 ( -5.012 -0.169 0.000) 5.015 3.644 ( -3.014 -1.778 0.000) 3.499 3.648 ( -5.818 -0.805 0.000) 5.873 5.348 ( 6.805 19.240 0.000) 20.408 5.396 ( 2.407 25.711 0.000) 25.824 5.966 ( 12.033 -11.702 0.000) 16.785 6.085 ( 0.593 -8.417 0.000) 8.438 6.749 ( 5.688 13.376 0.000) 14.535 6.944 ( -13.206 21.219 0.000) 24.993 7.261 ( 29.890 -0.875 0.000) 29.903 7.472 ( 16.135 7.644 0.000) 17.854 7.638 ( -10.463 0.236 0.000) 10.466 7.900 ( -22.487 7.289 0.000) 23.639 7.911 ( 13.137 -8.729 0.000) 15.773 8.128 ( -9.870 0.531 0.000) 9.885 8.565 ( 8.802 -2.891 0.000) 9.264 8.702 ( -5.477 -2.217 0.000) 5.909 8.731 ( 4.142 -8.999 0.000) 9.906 8.816 ( -2.866 -3.850 0.000) 4.799 9.822 ( -2.328 9.241 0.000) 9.530 9.845 ( -3.263 14.972 0.000) 15.323 10.176 ( -0.650 5.969 0.000) 6.004 10.262 ( -6.308 -0.775 0.000) 6.356 10.333 ( 7.667 -1.684 0.000) 7.850 10.500 ( -7.744 -9.135 0.000) 11.976 10.882 ( 2.642 -17.616 0.000) 17.813 10.900 ( -0.238 -16.562 0.000) 16.564 11.702 ( 1.242 18.354 0.000) 18.396 11.707 ( 0.947 18.823 0.000) 18.847 12.307 ( 5.501 4.600 0.000) 7.171 12.433 ( -5.082 -1.979 0.000) 5.454 12.556 ( 1.612 -4.134 0.000) 4.437 12.598 ( -0.361 -9.573 0.000) 9.580 12.814 ( -6.349 -7.117 0.000) 9.538 12.845 ( -9.352 -6.176 0.000) 11.207 13.997 ( 5.025 4.123 0.000) 6.500 14.073 ( -2.507 3.871 0.000) 4.612 14.097 ( 1.774 -0.551 0.000) 1.857 14.131 ( -2.141 0.440 0.000) 2.186 14.870 ( 1.151 4.117 0.000) 4.275 14.908 ( -2.771 4.376 0.000) 5.180 15.090 ( 2.121 -4.399 0.000) 4.884 15.136 ( -2.419 -4.464 0.000) 5.077 15.721 ( 9.842 0.649 0.000) 9.863 15.761 ( 3.326 0.559 0.000) 3.372 15.833 ( -1.536 -4.025 0.000) 4.309 15.895 ( -5.658 -4.484 0.000) 7.219 19.203 ( 15.109 8.091 0.000) 17.139 19.462 ( -11.160 4.111 0.000) 11.893 19.697 ( 3.054 -13.878 0.000) 14.210 19.732 ( -0.690 -7.715 0.000) 7.745 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.000 -24.445 0.000) 24.445 1.949 ( 0.000 24.445 0.000) 24.445 2.133 ( 0.000 -13.692 0.000) 13.692 2.133 ( 0.000 13.692 0.000) 13.692 2.414 ( 0.000 -14.082 0.000) 14.082 2.414 ( 0.000 14.082 0.000) 14.082 3.243 ( 0.000 -0.799 0.000) 0.799 3.243 ( 0.000 0.799 0.000) 0.799 3.742 ( 0.000 -11.252 0.000) 11.252 3.742 ( 0.000 11.252 0.000) 11.252 4.016 ( 0.000 -16.340 0.000) 16.340 4.016 ( 0.000 16.340 0.000) 16.340 4.698 ( 0.000 -6.364 0.000) 6.364 4.698 ( 0.000 6.364 0.000) 6.364 5.584 ( 0.000 -8.539 0.000) 8.539 5.584 ( 0.000 8.539 0.000) 8.539 6.384 ( 0.000 -19.579 0.000) 19.579 6.384 ( 0.000 19.579 0.000) 19.579 6.825 ( 0.000 -12.161 0.000) 12.161 6.825 ( 0.000 12.161 0.000) 12.161 7.642 ( 0.000 -10.840 0.000) 10.840 7.642 ( 0.000 10.840 0.000) 10.840 8.071 ( 0.000 -28.715 0.000) 28.715 8.071 ( 0.000 28.715 0.000) 28.715 8.880 ( 0.000 -11.501 0.000) 11.501 8.880 ( 0.000 11.501 0.000) 11.501 9.018 ( 0.000 -0.737 0.000) 0.737 9.018 ( 0.000 0.737 0.000) 0.737 9.681 ( 0.000 -7.091 0.000) 7.091 9.681 ( 0.000 7.091 0.000) 7.091 9.859 ( 0.000 -3.195 0.000) 3.195 9.859 ( 0.000 3.195 0.000) 3.195 10.767 ( 0.000 -11.567 0.000) 11.567 10.767 ( 0.000 11.567 0.000) 11.567 10.849 ( 0.000 -4.097 0.000) 4.097 10.849 ( 0.000 4.097 0.000) 4.097 11.992 ( 0.000 -15.008 0.000) 15.008 11.992 ( 0.000 15.008 0.000) 15.008 12.179 ( 0.000 -15.558 0.000) 15.558 12.179 ( 0.000 15.558 0.000) 15.558 13.113 ( 0.000 -3.420 0.000) 3.420 13.113 ( 0.000 3.420 0.000) 3.420 13.456 ( 0.000 -6.109 0.000) 6.109 13.456 ( 0.000 6.109 0.000) 6.109 13.780 ( 0.000 -0.795 0.000) 0.795 13.780 ( 0.000 0.795 0.000) 0.795 14.378 ( 0.000 -7.289 0.000) 7.289 14.378 ( 0.000 7.289 0.000) 7.289 14.891 ( 0.000 -7.007 0.000) 7.007 14.891 ( 0.000 7.007 0.000) 7.007 15.113 ( 0.000 -1.492 0.000) 1.492 15.113 ( 0.000 1.492 0.000) 1.492 15.364 ( 0.000 -17.205 0.000) 17.205 15.364 ( 0.000 17.205 0.000) 17.205 15.772 ( 0.000 -0.096 0.000) 0.096 15.772 ( 0.000 0.096 0.000) 0.096 18.590 ( 0.000 -11.187 0.000) 11.187 18.590 ( 0.000 11.187 0.000) 11.187 19.684 ( 0.000 -1.711 0.000) 1.711 19.684 ( 0.000 1.711 0.000) 1.711 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.915 -23.180 0.000) 23.198 1.938 ( -0.915 23.180 0.000) 23.198 2.017 ( -6.381 -16.213 0.000) 17.423 2.017 ( -6.381 16.213 0.000) 17.423 2.597 ( 11.770 -8.240 0.000) 14.368 2.597 ( 11.770 8.240 0.000) 14.368 3.198 ( -4.226 -3.817 0.000) 5.695 3.198 ( -4.226 3.817 0.000) 5.695 3.779 ( 3.245 -10.426 0.000) 10.920 3.779 ( 3.245 10.426 0.000) 10.920 3.992 ( -2.578 -14.123 0.000) 14.357 3.992 ( -2.578 14.123 0.000) 14.357 4.811 ( 10.979 -7.412 0.000) 13.247 4.811 ( 10.979 7.412 0.000) 13.247 5.530 ( -2.514 -11.346 0.000) 11.622 5.530 ( -2.514 11.346 0.000) 11.622 6.392 ( 1.301 -17.952 0.000) 17.999 6.392 ( 1.301 17.952 0.000) 17.999 6.917 ( 8.007 -13.259 0.000) 15.489 6.917 ( 8.007 13.259 0.000) 15.489 7.690 ( 4.527 -9.488 0.000) 10.513 7.690 ( 4.527 9.488 0.000) 10.513 8.067 ( -0.416 -27.731 0.000) 27.734 8.067 ( -0.416 27.731 0.000) 27.734 8.853 ( -1.814 -10.216 0.000) 10.376 8.853 ( -1.814 10.216 0.000) 10.376 8.936 ( -7.780 -1.873 0.000) 8.002 8.936 ( -7.780 1.873 0.000) 8.002 9.845 ( 14.551 -10.085 0.000) 17.705 9.845 ( 14.551 10.085 0.000) 17.705 9.884 ( 2.322 -2.595 0.000) 3.482 9.884 ( 2.322 2.595 0.000) 3.482 10.767 ( -0.374 -10.963 0.000) 10.969 10.767 ( -0.374 10.963 0.000) 10.969 10.780 ( -6.822 -5.401 0.000) 8.701 10.780 ( -6.822 5.401 0.000) 8.701 11.995 ( 0.244 -14.149 0.000) 14.151 11.995 ( 0.244 14.149 0.000) 14.151 12.138 ( -3.630 -15.439 0.000) 15.860 12.138 ( -3.630 15.439 0.000) 15.860 13.062 ( -4.997 -5.868 0.000) 7.707 13.062 ( -4.997 5.868 0.000) 7.707 13.373 ( -8.082 -9.047 0.000) 12.131 13.373 ( -8.082 9.047 0.000) 12.131 13.813 ( 3.209 -4.782 0.000) 5.759 13.813 ( 3.209 4.782 0.000) 5.759 14.331 ( -4.096 -5.304 0.000) 6.701 14.331 ( -4.096 5.304 0.000) 6.701 14.915 ( 1.919 -5.618 0.000) 5.936 14.915 ( 1.919 5.618 0.000) 5.936 15.128 ( 1.011 -1.239 0.000) 1.599 15.128 ( 1.011 1.239 0.000) 1.599 15.399 ( 3.803 -16.795 0.000) 17.221 15.399 ( 3.803 16.795 0.000) 17.221 15.767 ( -0.276 -4.421 0.000) 4.429 15.767 ( -0.276 4.421 0.000) 4.429 18.698 ( 10.203 -14.761 0.000) 17.944 18.698 ( 10.203 14.761 0.000) 17.944 19.691 ( 0.554 -1.379 0.000) 1.487 19.691 ( 0.554 1.379 0.000) 1.487 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.582 -20.827 0.000) 20.835 1.922 ( -0.582 20.827 0.000) 20.835 1.941 ( -1.657 -9.094 0.000) 9.243 1.941 ( -1.657 9.094 0.000) 9.243 2.769 ( 5.987 -0.921 0.000) 6.058 2.769 ( 5.987 0.921 0.000) 6.058 3.103 ( -4.844 -5.624 0.000) 7.422 3.103 ( -4.844 5.624 0.000) 7.422 3.812 ( -1.503 -6.071 0.000) 6.254 3.812 ( -1.503 6.071 0.000) 6.254 3.911 ( -5.760 -9.124 0.000) 10.790 3.911 ( -5.760 9.124 0.000) 10.790 5.091 ( 16.739 -9.601 0.000) 19.297 5.091 ( 16.739 9.601 0.000) 19.297 5.592 ( 9.148 -12.470 0.000) 15.465 5.592 ( 9.148 12.470 0.000) 15.465 6.469 ( 7.742 -8.899 0.000) 11.795 6.469 ( 7.742 8.899 0.000) 11.795 7.092 ( 9.749 -14.654 0.000) 17.601 7.092 ( 9.749 14.654 0.000) 17.601 7.762 ( 0.114 -3.737 0.000) 3.739 7.762 ( 0.114 3.737 0.000) 3.739 8.085 ( 4.164 -19.709 0.000) 20.144 8.085 ( 4.164 19.709 0.000) 20.144 8.745 ( -11.178 -2.733 0.000) 11.508 8.745 ( -11.178 2.733 0.000) 11.508 8.829 ( -0.784 -7.341 0.000) 7.383 8.829 ( -0.784 7.341 0.000) 7.383 9.939 ( 3.171 -0.347 0.000) 3.190 9.939 ( 3.171 0.347 0.000) 3.190 10.149 ( 14.482 -15.564 0.000) 21.260 10.149 ( 14.482 15.564 0.000) 21.260 10.605 ( -10.350 -6.168 0.000) 12.049 10.605 ( -10.350 6.168 0.000) 12.049 10.733 ( -3.564 -10.137 0.000) 10.746 10.733 ( -3.564 10.137 0.000) 10.746 12.002 ( 0.543 -13.338 0.000) 13.349 12.002 ( 0.543 13.338 0.000) 13.349 12.070 ( -2.490 -15.908 0.000) 16.102 12.070 ( -2.490 15.908 0.000) 16.102 12.931 ( -8.070 -9.031 0.000) 12.112 12.931 ( -8.070 9.031 0.000) 12.112 13.166 ( -12.533 -10.247 0.000) 16.189 13.166 ( -12.533 10.247 0.000) 16.189 13.894 ( 4.748 -5.407 0.000) 7.196 13.894 ( 4.748 5.407 0.000) 7.196 14.247 ( -4.124 -3.056 0.000) 5.133 14.247 ( -4.124 3.056 0.000) 5.133 14.945 ( 1.017 -5.035 0.000) 5.137 14.945 ( 1.017 5.035 0.000) 5.137 15.129 ( -1.231 -3.488 0.000) 3.698 15.129 ( -1.231 3.488 0.000) 3.698 15.509 ( 6.994 -14.208 0.000) 15.836 15.509 ( 6.994 14.208 0.000) 15.836 15.773 ( 1.034 -7.446 0.000) 7.518 15.773 ( 1.034 7.446 0.000) 7.518 18.940 ( 13.547 -18.457 0.000) 22.895 18.940 ( 13.547 18.457 0.000) 22.895 19.696 ( -0.328 -0.204 0.000) 0.387 19.696 ( -0.328 0.204 0.000) 0.387 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.316 -19.203 0.000) 19.205 1.919 ( 0.316 19.203 0.000) 19.205 1.936 ( 0.540 -2.028 0.000) 2.099 1.936 ( 0.540 2.028 0.000) 2.099 2.863 ( 4.352 -4.208 0.000) 6.053 2.863 ( 4.352 4.208 0.000) 6.053 3.028 ( -2.638 -6.040 0.000) 6.591 3.028 ( -2.638 6.040 0.000) 6.591 3.720 ( -6.635 -4.118 0.000) 7.809 3.720 ( -6.635 4.118 0.000) 7.809 3.775 ( -7.728 -4.202 0.000) 8.796 3.775 ( -7.728 4.202 0.000) 8.796 5.422 ( 16.355 -11.976 0.000) 20.271 5.422 ( 16.355 11.976 0.000) 20.271 5.786 ( 7.589 -16.478 0.000) 18.142 5.786 ( 7.589 16.478 0.000) 18.142 6.720 ( 17.450 -1.450 0.000) 17.510 6.720 ( 17.450 1.450 0.000) 17.510 7.320 ( 14.683 -13.791 0.000) 20.144 7.320 ( 14.683 13.791 0.000) 20.144 7.646 ( -10.818 -15.483 0.000) 18.888 7.646 ( -10.818 15.483 0.000) 18.888 8.239 ( 8.020 -12.385 0.000) 14.755 8.239 ( 8.020 12.385 0.000) 14.755 8.522 ( -10.152 -7.143 0.000) 12.413 8.522 ( -10.152 7.143 0.000) 12.413 8.807 ( -2.037 -3.808 0.000) 4.319 8.807 ( -2.037 3.808 0.000) 4.319 9.998 ( 2.689 -5.933 0.000) 6.514 9.998 ( 2.689 5.933 0.000) 6.514 10.295 ( -4.347 -17.436 0.000) 17.969 10.295 ( -4.347 17.436 0.000) 17.969 10.469 ( 1.399 -4.090 0.000) 4.323 10.469 ( 1.399 4.090 0.000) 4.323 10.635 ( -5.595 -11.764 0.000) 13.027 10.635 ( -5.595 11.764 0.000) 13.027 12.030 ( 2.724 -15.299 0.000) 15.540 12.030 ( 2.724 15.299 0.000) 15.540 12.064 ( 1.941 -17.407 0.000) 17.515 12.064 ( 1.941 17.407 0.000) 17.515 12.768 ( -8.130 -9.888 0.000) 12.801 12.768 ( -8.130 9.888 0.000) 12.801 12.910 ( -13.110 -9.390 0.000) 16.126 12.910 ( -13.110 9.390 0.000) 16.126 13.987 ( 4.622 -4.164 0.000) 6.222 13.987 ( 4.622 4.164 0.000) 6.222 14.178 ( -2.936 -1.967 0.000) 3.534 14.178 ( -2.936 1.967 0.000) 3.534 14.959 ( 0.633 -5.317 0.000) 5.355 14.959 ( 0.633 5.317 0.000) 5.355 15.082 ( -3.215 -5.363 0.000) 6.253 15.082 ( -3.215 5.363 0.000) 6.253 15.649 ( 6.817 -8.886 0.000) 11.200 15.649 ( 6.817 8.886 0.000) 11.200 15.799 ( 1.274 -7.014 0.000) 7.129 15.799 ( 1.274 7.014 0.000) 7.129 19.198 ( 12.494 -16.937 0.000) 21.046 19.198 ( 12.494 16.937 0.000) 21.046 19.667 ( -2.917 -2.398 0.000) 3.776 19.667 ( -2.917 2.398 0.000) 3.776 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.808 -17.127 0.000) 17.146 1.932 ( 0.808 17.127 0.000) 17.146 1.943 ( -0.100 -11.705 0.000) 11.706 1.943 ( -0.100 11.705 0.000) 11.706 2.944 ( 3.673 -3.997 0.000) 5.428 2.944 ( 3.673 3.997 0.000) 5.428 2.993 ( -1.540 -5.001 0.000) 5.232 2.993 ( -1.540 5.001 0.000) 5.232 3.614 ( -2.759 -2.535 0.000) 3.747 3.614 ( -2.759 2.535 0.000) 3.747 3.640 ( -5.084 -1.061 0.000) 5.194 3.640 ( -5.084 1.061 0.000) 5.194 5.696 ( 11.117 -14.128 0.000) 17.978 5.696 ( 11.117 14.128 0.000) 17.978 5.835 ( -2.630 -15.760 0.000) 15.978 5.835 ( -2.630 15.760 0.000) 15.978 7.075 ( 17.410 -14.853 0.000) 22.885 7.075 ( 17.410 14.853 0.000) 22.885 7.388 ( -14.921 -18.806 0.000) 24.006 7.388 ( -14.921 18.806 0.000) 24.006 7.685 ( 22.002 -11.977 0.000) 25.051 7.685 ( 22.002 11.977 0.000) 25.051 8.103 ( -18.733 -6.457 0.000) 19.814 8.103 ( -18.733 6.457 0.000) 19.814 8.565 ( 10.019 -4.840 0.000) 11.127 8.565 ( 10.019 4.840 0.000) 11.127 8.731 ( -6.177 -3.790 0.000) 7.247 8.731 ( -6.177 3.790 0.000) 7.247 10.046 ( 2.807 -11.483 0.000) 11.821 10.046 ( 2.807 11.483 0.000) 11.821 10.141 ( -7.350 -11.244 0.000) 13.433 10.141 ( -7.350 11.244 0.000) 13.433 10.527 ( 1.810 -13.423 0.000) 13.544 10.527 ( 1.810 13.423 0.000) 13.544 10.555 ( -2.193 -14.817 0.000) 14.979 10.555 ( -2.193 14.817 0.000) 14.979 12.101 ( 3.554 -18.145 0.000) 18.490 12.101 ( 3.554 18.145 0.000) 18.490 12.117 ( 2.112 -19.045 0.000) 19.161 12.117 ( 2.112 19.045 0.000) 19.161 12.645 ( -3.208 -8.422 0.000) 9.012 12.645 ( -3.208 8.422 0.000) 9.012 12.691 ( -8.012 -8.255 0.000) 11.504 12.691 ( -8.012 8.255 0.000) 11.504 14.067 ( 3.520 -2.386 0.000) 4.253 14.067 ( 3.520 2.386 0.000) 4.253 14.126 ( -2.641 -1.183 0.000) 2.894 14.126 ( -2.641 1.183 0.000) 2.894 14.978 ( 1.469 -5.727 0.000) 5.913 14.978 ( 1.469 5.727 0.000) 5.913 15.020 ( -2.839 -5.908 0.000) 6.555 15.020 ( -2.839 5.908 0.000) 6.555 15.758 ( 4.142 -2.816 0.000) 5.009 15.758 ( 4.142 2.816 0.000) 5.009 15.806 ( -0.885 -3.506 0.000) 3.616 15.806 ( -0.885 3.506 0.000) 3.616 19.417 ( 9.846 -12.001 0.000) 15.523 19.417 ( 9.846 12.001 0.000) 15.523 19.576 ( -6.430 -6.592 0.000) 9.209 19.576 ( -6.430 6.592 0.000) 9.209 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 32.644) 32.644 0.701 ( 0.000 0.000 33.052) 33.052 1.336 ( 0.000 0.000 62.918) 62.918 2.387 ( 0.000 0.000 4.807) 4.807 2.915 ( 0.000 0.000 2.210) 2.210 2.989 ( 0.000 0.000 -10.202) 10.202 3.213 ( 0.000 0.000 -11.440) 11.440 3.265 ( 0.000 0.000 -14.129) 14.129 3.300 ( 0.000 0.000 -3.282) 3.282 3.350 ( 0.000 0.000 -1.533) 1.533 3.650 ( 0.000 0.000 -4.819) 4.819 3.698 ( 0.000 0.000 8.492) 8.492 4.705 ( 0.000 0.000 -3.290) 3.290 4.721 ( 0.000 0.000 9.602) 9.602 5.674 ( 0.000 0.000 9.573) 9.573 5.927 ( 0.000 0.000 1.089) 1.089 6.101 ( 0.000 0.000 -19.764) 19.764 6.170 ( 0.000 0.000 1.699) 1.699 6.630 ( 0.000 0.000 4.900) 4.900 7.122 ( 0.000 0.000 6.196) 6.196 7.221 ( 0.000 0.000 -14.915) 14.915 7.579 ( 0.000 0.000 24.118) 24.118 8.238 ( 0.000 0.000 -11.652) 11.652 8.400 ( 0.000 0.000 -0.055) 0.055 8.583 ( 0.000 0.000 1.315) 1.315 8.879 ( 0.000 0.000 -5.008) 5.008 9.069 ( 0.000 0.000 -15.286) 15.286 9.115 ( 0.000 0.000 0.789) 0.789 9.842 ( 0.000 0.000 10.000) 10.000 9.941 ( 0.000 0.000 4.905) 4.905 10.202 ( 0.000 0.000 16.332) 16.332 10.254 ( 0.000 0.000 3.829) 3.829 10.270 ( 0.000 0.000 1.870) 1.870 10.445 ( 0.000 0.000 4.707) 4.707 10.876 ( 0.000 0.000 -12.219) 12.219 11.352 ( 0.000 0.000 -0.898) 0.898 11.457 ( 0.000 0.000 -5.262) 5.262 11.561 ( 0.000 0.000 -1.239) 1.239 12.228 ( 0.000 0.000 -8.400) 8.400 12.781 ( 0.000 0.000 -14.651) 14.651 12.963 ( 0.000 0.000 -7.423) 7.423 12.993 ( 0.000 0.000 3.404) 3.404 13.242 ( 0.000 0.000 -5.033) 5.033 13.616 ( 0.000 0.000 -1.272) 1.272 13.733 ( 0.000 0.000 -10.692) 10.692 13.827 ( 0.000 0.000 -1.393) 1.393 14.030 ( 0.000 0.000 -0.848) 0.848 14.219 ( 0.000 0.000 3.768) 3.768 14.752 ( 0.000 0.000 -0.986) 0.986 14.753 ( 0.000 0.000 -9.566) 9.566 14.760 ( 0.000 0.000 -1.555) 1.555 14.924 ( 0.000 0.000 -8.217) 8.217 15.255 ( 0.000 0.000 13.376) 13.376 15.508 ( 0.000 0.000 13.169) 13.169 15.960 ( 0.000 0.000 -0.701) 0.701 16.578 ( 0.000 0.000 10.888) 10.888 18.062 ( 0.000 0.000 13.495) 13.495 19.643 ( 0.000 0.000 -1.228) 1.228 19.794 ( 0.000 0.000 -0.350) 0.350 20.184 ( 0.000 0.000 -3.111) 3.111 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 25.429 0.000 19.863) 32.267 1.048 ( 23.728 0.000 24.650) 34.215 1.799 ( 42.428 0.000 40.548) 58.688 2.389 ( -0.382 0.000 2.602) 2.630 2.909 ( -1.344 0.000 0.267) 1.370 2.970 ( -1.921 0.000 -8.099) 8.324 3.102 ( -10.939 0.000 -8.776) 14.025 3.158 ( -9.828 0.000 -7.386) 12.294 3.287 ( -0.846 0.000 -6.068) 6.127 3.395 ( 6.165 0.000 -4.228) 7.476 3.659 ( 0.979 0.000 -3.810) 3.934 3.810 ( 10.940 0.000 6.486) 12.718 4.613 ( -9.237 0.000 -2.503) 9.570 4.747 ( 2.392 0.000 9.503) 9.799 5.509 ( -9.011 0.000 16.225) 18.559 5.617 ( -2.558 0.000 4.720) 5.369 6.243 ( 11.251 0.000 -15.459) 19.120 6.526 ( 9.278 0.000 6.876) 11.548 6.645 ( 1.624 0.000 3.700) 4.041 7.025 ( -6.130 0.000 -9.929) 11.669 7.412 ( 13.319 0.000 -11.987) 17.919 7.596 ( 1.453 0.000 19.025) 19.081 8.214 ( -4.023 0.000 -12.692) 13.314 8.489 ( 6.668 0.000 -0.921) 6.732 8.593 ( 2.821 0.000 8.260) 8.729 8.808 ( -11.036 0.000 0.405) 11.043 8.930 ( -6.925 0.000 3.573) 7.793 8.979 ( -8.415 0.000 -7.847) 11.506 9.560 ( -2.327 0.000 9.958) 10.226 9.920 ( -1.269 0.000 -4.310) 4.493 10.152 ( -3.364 0.000 12.117) 12.576 10.370 ( 8.183 0.000 5.574) 9.901 10.395 ( -3.400 0.000 3.404) 4.811 10.753 ( 12.503 0.000 -7.346) 14.502 10.984 ( 12.208 0.000 -16.385) 20.433 11.220 ( -8.974 0.000 -3.380) 9.589 11.448 ( -1.100 0.000 -3.215) 3.398 11.650 ( 5.798 0.000 2.911) 6.488 11.964 ( -19.479 0.000 -4.768) 20.054 12.714 ( -3.465 0.000 -11.212) 11.735 12.867 ( -9.544 0.000 1.893) 9.730 12.992 ( -0.583 0.000 -2.907) 2.965 13.367 ( 9.390 0.000 -3.475) 10.012 13.582 ( -4.063 0.000 -0.383) 4.081 13.689 ( -5.206 0.000 -8.819) 10.241 13.834 ( 0.654 0.000 -1.588) 1.717 14.030 ( 0.106 0.000 -0.730) 0.737 14.214 ( -0.495 0.000 3.571) 3.605 14.521 ( -1.000 0.000 0.038) 1.001 14.767 ( 0.557 0.000 -1.604) 1.698 14.824 ( 1.868 0.000 -1.282) 2.265 14.910 ( -1.395 0.000 -7.776) 7.901 15.362 ( 4.074 0.000 12.543) 13.188 15.749 ( 10.071 0.000 -3.283) 10.593 16.024 ( 4.977 0.000 -2.436) 5.541 16.476 ( -5.850 0.000 13.244) 14.479 18.138 ( 7.776 0.000 12.426) 14.658 19.644 ( 0.437 0.000 -2.578) 2.615 19.780 ( -1.611 0.000 -0.946) 1.868 20.290 ( 3.924 0.000 -8.529) 9.388 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 23.018 0.000 17.735) 29.058 1.526 ( 26.655 0.000 6.331) 27.396 2.335 ( -5.931 0.000 -2.856) 6.583 2.658 ( 36.380 0.000 17.469) 40.357 2.823 ( -15.440 0.000 -4.434) 16.064 2.866 ( -0.608 0.000 2.045) 2.133 2.943 ( -0.772 0.000 -2.259) 2.387 2.988 ( -6.478 0.000 -10.752) 12.552 3.255 ( -2.549 0.000 -5.865) 6.395 3.555 ( 9.531 0.000 -2.287) 9.802 3.704 ( 4.710 0.000 -1.289) 4.884 4.070 ( 14.069 0.000 4.188) 14.679 4.368 ( -14.970 0.000 -0.195) 14.972 4.793 ( 1.522 0.000 9.787) 9.904 5.572 ( 12.117 0.000 4.922) 13.079 5.653 ( 6.826 0.000 -0.004) 6.826 6.447 ( 8.278 0.000 -8.384) 11.782 6.622 ( 3.990 0.000 17.669) 18.114 6.700 ( 4.333 0.000 -2.090) 4.811 6.914 ( -5.023 0.000 -9.880) 11.083 7.602 ( -2.845 0.000 8.154) 8.636 7.656 ( 11.323 0.000 -15.024) 18.813 8.086 ( -5.755 0.000 -9.142) 10.802 8.543 ( -4.096 0.000 6.142) 7.382 8.582 ( -9.733 0.000 -5.522) 11.191 8.723 ( 9.044 0.000 10.310) 13.715 8.837 ( -4.502 0.000 -3.828) 5.909 8.900 ( 1.458 0.000 -1.782) 2.303 9.543 ( -2.735 0.000 9.222) 9.619 9.893 ( -1.810 0.000 -15.196) 15.304 10.135 ( 2.190 0.000 2.379) 3.234 10.263 ( -9.398 0.000 0.058) 9.399 10.503 ( 3.660 0.000 8.833) 9.562 10.861 ( 2.320 0.000 -5.995) 6.428 11.106 ( -1.140 0.000 -0.185) 1.155 11.194 ( 7.575 0.000 -8.010) 11.024 11.411 ( -2.671 0.000 0.312) 2.690 11.641 ( -12.428 0.000 -3.404) 12.886 11.750 ( 4.830 0.000 5.838) 7.577 12.648 ( -2.771 0.000 -6.777) 7.322 12.671 ( -10.427 0.000 1.573) 10.545 12.952 ( -2.830 0.000 -0.915) 2.974 13.441 ( -10.745 0.000 -0.598) 10.762 13.531 ( -9.768 0.000 -4.341) 10.689 13.551 ( 9.027 0.000 -3.107) 9.547 13.853 ( 1.352 0.000 -2.058) 2.462 14.040 ( 0.997 0.000 -0.389) 1.070 14.198 ( -1.190 0.000 3.019) 3.245 14.668 ( 12.388 0.000 -11.259) 16.740 14.774 ( 0.084 0.000 -1.726) 1.728 14.872 ( -2.471 0.000 -6.665) 7.108 14.877 ( 3.554 0.000 -4.290) 5.571 15.455 ( 5.976 0.000 13.021) 14.327 15.822 ( 0.060 0.000 3.733) 3.734 16.072 ( 0.210 0.000 -2.777) 2.785 16.416 ( -1.808 0.000 12.578) 12.707 18.358 ( 14.482 0.000 9.388) 17.259 19.667 ( 2.074 0.000 -5.705) 6.070 19.723 ( -4.566 0.000 -2.174) 5.057 20.277 ( -4.243 0.000 -6.412) 7.689 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 20.187 0.000 11.105) 23.040 1.932 ( 11.573 0.000 -6.395) 13.222 2.173 ( -9.427 0.000 -6.565) 11.488 2.601 ( -3.152 0.000 3.150) 4.456 2.726 ( -7.319 0.000 3.049) 7.929 2.901 ( -0.719 0.000 -10.358) 10.383 2.942 ( -0.311 0.000 0.083) 0.322 3.159 ( -1.210 0.000 -3.890) 4.074 3.261 ( 11.578 0.000 1.984) 11.747 3.712 ( 4.336 0.000 -0.927) 4.434 3.888 ( 11.973 0.000 2.741) 12.283 4.088 ( -10.799 0.000 4.280) 11.616 4.318 ( 11.214 0.000 4.838) 12.213 4.781 ( -3.046 0.000 9.930) 10.387 5.875 ( 15.181 0.000 -2.289) 15.353 5.908 ( 21.160 0.000 -1.763) 21.233 6.535 ( 0.564 0.000 0.679) 0.883 6.738 ( 3.842 0.000 6.781) 7.794 6.810 ( 6.420 0.000 -9.463) 11.435 6.851 ( 3.428 0.000 1.633) 3.797 7.417 ( -14.664 0.000 0.174) 14.665 7.844 ( 7.325 0.000 -14.733) 16.453 8.122 ( 9.329 0.000 -10.990) 14.415 8.317 ( -17.963 0.000 -5.094) 18.672 8.407 ( -7.966 0.000 3.060) 8.533 8.811 ( 1.265 0.000 -5.270) 5.419 8.844 ( 0.484 0.000 -3.419) 3.453 8.958 ( 2.821 0.000 2.401) 3.704 9.457 ( -4.219 0.000 5.731) 7.117 9.885 ( 3.201 0.000 -7.994) 8.611 9.953 ( -16.600 0.000 3.184) 16.902 10.325 ( 11.499 0.000 -7.256) 13.597 10.489 ( -4.786 0.000 10.974) 11.972 10.866 ( -2.079 0.000 -6.179) 6.519 11.161 ( 4.840 0.000 4.592) 6.671 11.297 ( 3.761 0.000 0.018) 3.761 11.350 ( -3.235 0.000 6.037) 6.849 11.480 ( -4.940 0.000 1.153) 5.072 11.862 ( 7.113 0.000 3.781) 8.055 12.462 ( -10.978 0.000 1.338) 11.059 12.631 ( 1.298 0.000 -6.582) 6.709 12.904 ( -1.744 0.000 -0.620) 1.851 13.191 ( -13.080 0.000 -1.425) 13.158 13.340 ( -9.838 0.000 1.428) 9.941 13.711 ( 7.284 0.000 -3.025) 7.887 13.882 ( 1.390 0.000 -2.489) 2.850 14.068 ( 1.731 0.000 0.059) 1.732 14.167 ( -1.949 0.000 2.153) 2.904 14.769 ( -0.555 0.000 -1.980) 2.056 14.820 ( -2.692 0.000 -5.254) 5.903 14.879 ( 7.223 0.000 -18.919) 20.251 14.959 ( 4.612 0.000 -7.277) 8.615 15.610 ( 10.440 0.000 10.635) 14.903 15.827 ( 1.611 0.000 6.893) 7.079 16.055 ( -1.893 0.000 0.927) 2.107 16.345 ( -6.249 0.000 13.193) 14.598 18.683 ( 18.290 0.000 5.129) 18.995 19.591 ( -9.157 0.000 -2.821) 9.581 19.731 ( 4.585 0.000 -8.259) 9.446 20.156 ( -7.604 0.000 -6.327) 9.892 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -1.187 0.000 -10.719) 10.785 2.017 ( -5.540 0.000 -8.642) 10.265 2.281 ( 15.806 0.000 6.963) 17.272 2.544 ( -11.288 0.000 4.433) 12.127 2.724 ( 10.822 0.000 3.852) 11.487 2.892 ( -5.505 0.000 1.217) 5.638 2.944 ( 4.734 0.000 -10.251) 11.291 3.060 ( -6.353 0.000 -8.469) 10.587 3.449 ( 8.543 0.000 2.150) 8.809 3.633 ( -9.875 0.000 0.172) 9.876 4.014 ( 4.678 0.000 5.040) 6.876 4.067 ( 0.997 0.000 6.413) 6.490 4.514 ( 9.181 0.000 7.037) 11.568 4.677 ( -7.252 0.000 8.950) 11.520 6.197 ( 16.423 0.000 -0.698) 16.438 6.326 ( 19.550 0.000 -1.028) 19.577 6.457 ( -9.015 0.000 1.969) 9.227 6.624 ( -11.064 0.000 -1.256) 11.135 6.942 ( 7.495 0.000 -8.489) 11.325 7.132 ( -12.732 0.000 -4.340) 13.452 7.192 ( 25.946 0.000 1.301) 25.978 7.730 ( -24.530 0.000 -8.023) 25.809 8.114 ( 4.091 0.000 -5.941) 7.213 8.252 ( -7.971 0.000 -1.267) 8.071 8.387 ( 16.360 0.000 -18.206) 24.477 8.699 ( -13.891 0.000 -18.830) 23.399 8.872 ( 4.632 0.000 -2.427) 5.229 8.959 ( -3.047 0.000 2.265) 3.796 9.453 ( 4.903 0.000 1.550) 5.142 9.642 ( -13.848 0.000 1.354) 13.914 10.058 ( 13.273 0.000 8.029) 15.513 10.322 ( -12.077 0.000 11.889) 16.947 10.568 ( 12.254 0.000 -6.184) 13.726 10.769 ( -7.881 0.000 -5.932) 9.864 11.243 ( 3.308 0.000 7.695) 8.375 11.296 ( -2.427 0.000 8.983) 9.305 11.359 ( 2.828 0.000 3.741) 4.690 11.412 ( -2.726 0.000 4.204) 5.011 12.033 ( 10.180 0.000 1.211) 10.252 12.244 ( -11.257 0.000 0.870) 11.290 12.698 ( 5.606 0.000 -8.175) 9.912 12.838 ( -7.136 0.000 -7.836) 10.598 13.044 ( 0.918 0.000 6.298) 6.364 13.156 ( -8.515 0.000 4.849) 9.799 13.831 ( 4.866 0.000 -2.843) 5.636 13.890 ( -1.089 0.000 -2.688) 2.900 14.100 ( 1.453 0.000 0.493) 1.534 14.129 ( -1.755 0.000 1.169) 2.109 14.761 ( -0.014 0.000 -2.622) 2.622 14.776 ( -1.602 0.000 -3.802) 4.126 14.969 ( 3.092 0.000 -16.478) 16.766 15.006 ( -0.269 0.000 -13.846) 13.848 15.841 ( 10.297 0.000 2.884) 10.693 15.892 ( 4.399 0.000 4.924) 6.603 16.012 ( -0.583 0.000 10.462) 10.478 16.169 ( -11.294 0.000 14.291) 18.215 19.043 ( 18.005 0.000 0.965) 18.031 19.362 ( -14.305 0.000 -1.872) 14.427 19.845 ( 7.065 0.000 -8.832) 11.311 19.998 ( -8.304 0.000 -7.719) 11.338 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 21.273 22.427) 30.911 1.044 ( 0.000 26.566 19.827) 33.149 1.734 ( 0.000 31.152 40.754) 51.296 2.378 ( 0.000 -4.288 -0.958) 4.393 2.707 ( 0.000 -7.785 6.524) 10.157 3.013 ( 0.000 -3.142 -12.870) 13.249 3.183 ( 0.000 -5.274 1.101) 5.388 3.184 ( 0.000 -5.696 -13.626) 14.769 3.404 ( 0.000 8.198 -2.196) 8.487 3.495 ( 0.000 15.563 -10.076) 18.540 3.526 ( 0.000 -8.532 -3.569) 9.248 4.285 ( 0.000 32.956 -15.788) 36.543 4.571 ( 0.000 -9.833 -2.859) 10.240 4.748 ( 0.000 0.357 10.551) 10.557 5.683 ( 0.000 -7.461 6.321) 9.779 5.849 ( 0.000 -5.835 19.290) 20.153 5.851 ( 0.000 -5.695 -2.550) 6.240 6.227 ( 0.000 9.397 -15.803) 18.386 6.846 ( 0.000 19.349 4.591) 19.886 7.056 ( 0.000 -5.745 7.160) 9.180 7.147 ( 0.000 -6.590 -14.125) 15.586 7.580 ( 0.000 0.344 20.385) 20.388 8.277 ( 0.000 -13.708 -8.337) 16.044 8.460 ( 0.000 5.542 -0.443) 5.560 8.607 ( 0.000 12.960 2.367) 13.174 8.865 ( 0.000 -3.068 -3.236) 4.459 9.069 ( 0.000 -0.920 -14.956) 14.984 9.106 ( 0.000 -0.615 2.595) 2.667 9.620 ( 0.000 -7.551 7.610) 10.721 9.966 ( 0.000 1.000 2.737) 2.914 10.136 ( 0.000 -5.068 17.561) 18.277 10.154 ( 0.000 -8.590 4.776) 9.829 10.475 ( 0.000 3.683 5.480) 6.603 10.535 ( 0.000 10.311 -5.663) 11.763 10.853 ( 0.000 -1.769 -11.613) 11.747 11.346 ( 0.000 -9.031 3.364) 9.637 11.452 ( 0.000 8.468 -1.543) 8.607 11.636 ( 0.000 7.103 -1.047) 7.180 12.410 ( 0.000 5.989 -18.945) 19.869 12.628 ( 0.000 -12.136 -11.831) 16.949 12.934 ( 0.000 -0.592 -7.510) 7.533 13.108 ( 0.000 8.474 3.119) 9.030 13.155 ( 0.000 -6.577 -7.245) 9.785 13.518 ( 0.000 -1.299 4.667) 4.844 13.721 ( 0.000 -1.130 -10.654) 10.713 13.927 ( 0.000 -6.027 -0.925) 6.098 14.016 ( 0.000 10.026 -5.301) 11.341 14.265 ( 0.000 7.104 8.992) 11.460 14.661 ( 0.000 -5.431 0.114) 5.432 14.803 ( 0.000 3.506 -8.816) 9.488 14.809 ( 0.000 1.873 -4.694) 5.053 14.952 ( 0.000 2.032 -7.222) 7.502 15.331 ( 0.000 3.651 11.992) 12.535 15.687 ( 0.000 9.922 -2.269) 10.178 15.896 ( 0.000 -5.976 -1.166) 6.088 16.440 ( 0.000 -11.670 14.173) 18.359 18.178 ( 0.000 9.896 11.620) 15.263 19.546 ( 0.000 -33.440 25.839) 42.260 19.642 ( 0.000 -0.023 -1.254) 1.254 19.777 ( 0.000 -2.343 0.110) 2.346 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 18.713 14.896 17.111) 29.409 1.265 ( 15.033 17.769 22.741) 32.541 2.077 ( 30.876 22.347 23.156) 44.597 2.368 ( -1.026 -5.624 -1.987) 6.052 2.686 ( -1.936 -8.004 6.903) 10.745 2.976 ( -3.826 -4.966 -10.998) 12.659 3.085 ( -6.007 0.584 -1.045) 6.125 3.230 ( 0.329 -4.635 -8.282) 9.496 3.373 ( -6.289 7.665 -7.364) 12.351 3.462 ( 4.071 7.455 -2.955) 8.994 3.578 ( 1.872 -0.369 -5.058) 5.406 4.267 ( 1.249 30.202 -7.477) 31.139 4.499 ( -7.520 -7.783 -2.793) 11.177 4.785 ( 3.880 2.083 10.674) 11.547 5.446 ( -5.899 -5.051 14.980) 16.873 5.662 ( -3.993 3.529 3.934) 6.624 6.299 ( 18.944 -8.887 2.084) 21.028 6.351 ( 8.132 3.674 -10.533) 13.805 6.831 ( -2.069 13.620 2.120) 13.939 6.967 ( -3.854 -0.476 -2.073) 4.402 7.326 ( 12.345 -7.716 -10.336) 17.854 7.612 ( 3.085 0.967 17.030) 17.334 8.187 ( -7.008 -7.903 -7.730) 13.089 8.503 ( 3.813 1.667 1.873) 4.564 8.632 ( -0.180 6.255 4.937) 7.971 8.862 ( -0.924 -0.355 -1.945) 2.182 8.956 ( -8.432 -1.312 -8.670) 12.165 9.025 ( -6.941 7.375 2.890) 10.532 9.545 ( -0.771 -0.144 5.127) 5.186 9.940 ( -2.651 0.806 -3.650) 4.583 10.110 ( -1.791 -3.681 11.156) 11.884 10.279 ( 6.658 -6.071 0.748) 9.041 10.482 ( 1.786 3.822 7.189) 8.335 10.646 ( 7.174 -4.164 -3.508) 9.007 10.895 ( 2.313 -4.619 -11.490) 12.598 11.271 ( -4.131 -2.819 0.253) 5.007 11.492 ( 1.216 5.131 -0.772) 5.329 11.656 ( 1.535 4.996 3.873) 6.505 12.173 ( -17.462 10.811 -15.144) 25.517 12.600 ( -2.175 -9.776 -9.985) 14.142 12.925 ( -7.828 1.377 -0.879) 7.996 12.933 ( -2.725 -0.568 -2.632) 3.831 13.350 ( 7.371 -4.299 -3.094) 9.077 13.510 ( 0.369 0.117 1.622) 1.667 13.644 ( -7.448 -2.782 -8.121) 11.365 13.963 ( 1.638 -4.431 -2.662) 5.423 14.008 ( -0.191 9.782 -4.080) 10.601 14.272 ( -0.392 6.250 6.019) 8.686 14.577 ( -0.583 2.439 -3.060) 3.956 14.789 ( 0.538 2.605 -2.931) 3.958 14.838 ( 0.842 0.959 -6.701) 6.821 14.953 ( -0.136 3.397 -5.449) 6.422 15.379 ( 3.501 1.717 13.429) 13.984 15.771 ( 4.121 1.166 -1.436) 4.517 15.953 ( 3.996 -6.542 -2.726) 8.136 16.372 ( -3.858 -8.992 14.930) 17.851 18.244 ( 6.883 9.216 10.917) 15.858 19.633 ( 0.965 -2.635 -1.889) 3.382 19.750 ( 1.585 -6.660 0.035) 6.846 19.813 ( 11.990 -25.796 6.859) 29.262 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 13.693 7.187 16.118) 22.337 1.635 ( 24.194 5.002 12.181) 27.545 2.294 ( -5.541 -6.145 -5.773) 10.089 2.532 ( 0.320 -5.694 2.864) 6.381 2.761 ( 12.268 1.057 1.400) 12.393 2.895 ( -1.436 -3.372 -5.084) 6.268 3.017 ( 1.487 6.839 5.715) 9.036 3.173 ( -5.205 2.401 -4.603) 7.352 3.283 ( -0.982 7.894 -7.682) 11.058 3.582 ( 6.658 3.312 -1.582) 7.602 3.615 ( 3.858 -3.452 -1.834) 5.492 4.252 ( -11.827 -5.877 -0.953) 13.241 4.419 ( 8.014 25.522 0.237) 26.752 4.886 ( 5.834 6.590 10.752) 13.895 5.529 ( 12.084 -3.839 5.591) 13.857 5.679 ( 6.471 2.378 0.669) 6.927 6.471 ( 5.284 -2.396 1.093) 5.903 6.620 ( 13.144 4.438 -1.959) 14.011 6.780 ( -0.839 0.192 -6.111) 6.171 6.924 ( -1.502 10.158 1.595) 10.392 7.548 ( 8.857 -8.130 -13.082) 17.768 7.684 ( 3.582 4.178 9.486) 10.967 8.066 ( -3.771 -2.456 -6.658) 8.036 8.514 ( -6.782 -2.448 3.412) 7.977 8.573 ( -4.266 0.625 -0.490) 4.339 8.786 ( -4.941 -0.133 -2.093) 5.368 8.814 ( -3.175 0.301 1.744) 3.635 9.005 ( 2.639 8.649 1.347) 9.142 9.552 ( -0.904 2.099 4.671) 5.200 9.887 ( -2.238 -0.872 -12.042) 12.279 10.108 ( 1.795 -2.208 3.280) 4.342 10.273 ( -5.835 1.214 -2.734) 6.557 10.562 ( 3.263 4.495 9.448) 10.960 10.764 ( 4.280 -7.775 -2.102) 9.121 10.917 ( 2.766 -10.577 -6.917) 12.938 11.235 ( -0.096 -3.741 1.897) 4.195 11.474 ( -2.720 5.911 -0.488) 6.525 11.640 ( -4.231 4.575 6.261) 8.833 11.942 ( -3.883 12.206 -8.542) 15.396 12.555 ( -1.880 -7.873 -6.105) 10.139 12.737 ( -10.082 5.360 -0.590) 11.434 12.889 ( -2.650 -5.021 0.287) 5.685 13.341 ( -6.630 -8.523 1.061) 10.850 13.437 ( -12.331 -5.970 -6.762) 15.278 13.612 ( 7.772 4.853 -2.392) 9.470 13.959 ( -0.669 5.147 -3.694) 6.371 14.033 ( 1.941 1.101 -0.484) 2.283 14.236 ( -2.532 3.249 3.548) 5.437 14.691 ( 8.099 1.630 -8.892) 12.138 14.813 ( 2.473 3.485 -3.900) 5.785 14.855 ( 0.723 0.677 -9.771) 9.821 14.947 ( 0.035 4.109 -3.583) 5.452 15.463 ( 5.411 0.765 12.925) 14.032 15.804 ( 0.098 -1.197 5.140) 5.278 15.992 ( 0.662 -7.195 -1.824) 7.452 16.338 ( -0.953 -6.921 13.224) 14.956 18.443 ( 13.342 7.742 8.286) 17.510 19.655 ( 1.680 -1.299 -5.612) 6.000 19.708 ( -4.083 -1.294 -2.424) 4.922 19.986 ( 3.591 -23.074 -1.174) 23.382 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 6.980 -4.535 7.207) 11.011 2.026 ( 6.439 -1.592 2.599) 7.123 2.190 ( 4.257 -3.922 -3.157) 6.594 2.500 ( 1.081 1.127 5.273) 5.499 2.784 ( -2.048 -1.329 -3.840) 4.551 2.892 ( -1.281 -4.296 -1.160) 4.630 2.987 ( -5.291 7.885 -4.904) 10.687 3.131 ( -2.582 -2.685 -5.524) 6.663 3.360 ( 5.742 7.309 -0.533) 9.310 3.668 ( 2.816 -3.853 -1.070) 4.891 3.769 ( 7.384 -6.414 2.814) 10.178 3.987 ( -12.338 -6.638 3.261) 14.385 4.639 ( 12.808 26.116 3.597) 29.309 4.981 ( 3.112 14.783 10.838) 18.593 5.849 ( 19.274 -5.416 -0.316) 20.023 5.895 ( 14.345 1.833 -2.773) 14.725 6.557 ( 0.174 -0.592 -6.493) 6.523 6.741 ( 7.337 4.904 6.009) 10.677 6.876 ( -2.286 7.158 3.868) 8.451 6.944 ( 12.243 6.304 -9.991) 17.013 7.559 ( -7.715 9.544 2.025) 12.438 7.774 ( 5.859 -5.220 -11.867) 14.227 8.114 ( 7.977 -0.756 -9.190) 12.192 8.316 ( -15.577 -1.003 -1.890) 15.723 8.394 ( -8.741 -0.227 -0.936) 8.794 8.719 ( -1.186 -7.352 -7.581) 10.627 8.834 ( 0.709 0.208 1.534) 1.703 9.023 ( -1.675 2.906 2.884) 4.423 9.500 ( -2.715 4.848 -0.992) 5.644 9.877 ( 0.557 0.652 -1.578) 1.796 10.018 ( -9.844 4.497 -1.007) 10.869 10.289 ( 8.996 -2.516 -4.568) 10.398 10.539 ( -5.448 3.974 10.828) 12.756 10.769 ( -2.850 -7.618 -4.668) 9.378 11.068 ( 10.039 -9.917 0.860) 14.138 11.243 ( 0.729 -7.234 4.672) 8.642 11.420 ( -1.882 7.976 1.790) 8.388 11.539 ( -5.008 7.274 7.309) 11.464 11.971 ( 4.833 8.755 -2.805) 10.386 12.493 ( -8.506 0.654 -2.366) 8.853 12.592 ( -0.470 -1.791 -3.301) 3.785 12.848 ( -0.965 -5.014 1.118) 5.227 13.126 ( -13.774 -5.671 -2.045) 15.035 13.224 ( -9.393 -9.020 -0.360) 13.027 13.764 ( 7.297 4.373 -2.141) 8.772 13.957 ( 0.335 5.364 -2.969) 6.140 14.071 ( 1.876 0.385 0.174) 1.923 14.185 ( -2.690 1.538 2.318) 3.870 14.764 ( 0.738 0.032 -4.143) 4.208 14.828 ( -1.733 0.955 -6.248) 6.554 14.917 ( 3.801 2.572 -15.786) 16.440 14.978 ( 2.924 1.670 -7.277) 8.018 15.608 ( 9.930 -0.175 9.994) 14.089 15.818 ( 2.024 -0.389 8.017) 8.278 15.994 ( -0.654 -5.458 1.524) 5.704 16.282 ( -5.429 -5.643 12.877) 15.071 18.745 ( 17.013 5.748 4.365) 18.480 19.588 ( -8.421 -0.186 -3.140) 8.989 19.704 ( 3.462 -2.462 -7.977) 9.038 19.982 ( -3.099 -14.934 -4.398) 15.873 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 2.806 -7.352 -0.699) 7.901 1.920 ( -6.763 -6.327 -3.174) 9.790 2.443 ( 12.048 4.246 1.196) 12.830 2.575 ( 1.766 -0.439 5.269) 5.574 2.736 ( -0.196 3.266 0.364) 3.292 2.829 ( -5.379 -3.915 2.561) 7.129 2.958 ( 2.808 1.825 -9.604) 10.171 3.049 ( -5.268 -1.124 -8.268) 9.868 3.462 ( 5.903 1.472 0.178) 6.087 3.608 ( -8.333 -2.035 -0.973) 8.633 3.830 ( 2.236 -10.968 4.845) 12.197 3.876 ( -1.818 -11.382 6.721) 13.343 4.866 ( 9.336 25.467 5.450) 27.666 4.985 ( -2.908 22.294 8.443) 24.016 6.161 ( 12.102 -4.813 -2.266) 13.220 6.211 ( 12.828 -8.331 0.013) 15.296 6.493 ( -2.012 4.385 -4.308) 6.468 6.658 ( -12.446 8.222 2.868) 15.190 7.161 ( 16.929 10.351 -5.098) 20.487 7.168 ( 17.683 6.455 -6.549) 19.931 7.381 ( -7.417 14.973 -0.797) 16.728 7.712 ( -20.577 -2.020 -10.319) 23.108 8.067 ( 1.285 -3.620 -4.807) 6.153 8.187 ( -6.489 -5.353 -1.106) 8.484 8.405 ( 12.443 1.574 -15.548) 19.976 8.654 ( -9.724 -3.929 -13.541) 17.128 8.834 ( 3.422 -3.359 -2.941) 5.625 8.943 ( -5.950 -2.187 2.991) 7.009 9.520 ( 5.524 6.528 -1.154) 8.629 9.703 ( -12.398 5.816 1.163) 13.743 10.095 ( 12.451 3.026 6.789) 14.501 10.356 ( -12.546 2.801 11.382) 17.169 10.495 ( 10.552 -5.829 -2.917) 12.402 10.672 ( -7.115 -7.543 -3.523) 10.951 11.223 ( 4.793 -9.436 3.867) 11.268 11.257 ( 0.324 -9.101 5.134) 10.454 11.413 ( 1.148 11.047 5.043) 12.198 11.458 ( -3.234 9.970 8.104) 13.249 12.101 ( 8.357 5.811 -1.697) 10.319 12.290 ( -10.702 3.855 -1.179) 11.437 12.662 ( 6.314 -3.599 -6.517) 9.761 12.816 ( -7.056 -2.082 -7.484) 10.495 12.938 ( 0.217 -9.241 6.161) 11.109 13.049 ( -8.282 -8.870 3.777) 12.709 13.887 ( 5.155 4.578 -2.042) 7.190 13.953 ( -1.449 4.957 -2.398) 5.694 14.103 ( 1.441 0.237 0.466) 1.533 14.136 ( -2.156 0.572 1.223) 2.544 14.771 ( 0.454 1.031 -3.310) 3.496 14.791 ( -1.653 1.476 -4.187) 4.737 14.969 ( 2.207 -0.166 -14.774) 14.939 15.002 ( -0.739 -0.421 -13.356) 13.383 15.827 ( 9.989 -1.078 3.431) 10.616 15.881 ( 3.697 -0.871 5.147) 6.397 15.973 ( 0.159 -3.373 10.101) 10.650 16.124 ( -10.365 -4.016 13.311) 17.342 19.080 ( 16.761 3.506 0.415) 17.129 19.377 ( -13.269 1.426 -2.288) 13.540 19.789 ( 5.104 -5.061 -8.304) 10.982 19.894 ( -5.375 -9.136 -6.783) 12.584 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 22.128 9.773) 24.190 1.650 ( 0.000 28.153 7.852) 29.227 2.209 ( 0.000 -7.925 -3.846) 8.809 2.273 ( 0.000 13.955 17.830) 22.642 2.578 ( 0.000 -8.671 8.807) 12.360 2.785 ( 0.000 -16.887 -5.485) 17.755 3.120 ( 0.000 0.738 -10.066) 10.093 3.130 ( 0.000 -1.421 -5.476) 5.658 3.474 ( 0.000 8.044 -0.593) 8.066 3.661 ( 0.000 14.169 -2.612) 14.408 3.734 ( 0.000 5.648 -9.197) 10.793 4.310 ( 0.000 -14.324 -3.630) 14.777 4.760 ( 0.000 1.485 13.570) 13.651 4.784 ( 0.000 11.996 -3.919) 12.620 5.473 ( 0.000 -3.628 4.595) 5.854 5.712 ( 0.000 -7.276 -3.784) 8.201 6.032 ( 0.000 15.401 9.688) 18.195 6.444 ( 0.000 10.807 -12.340) 16.403 6.815 ( 0.000 -14.420 6.896) 15.984 6.957 ( 0.000 -10.919 -12.116) 16.310 7.440 ( 0.000 31.651 4.413) 31.957 7.612 ( 0.000 3.364 12.029) 12.490 7.961 ( 0.000 -13.721 -0.004) 13.721 8.581 ( 0.000 -15.318 3.939) 15.816 8.618 ( 0.000 8.879 -1.869) 9.073 8.914 ( 0.000 3.154 -4.388) 5.404 9.023 ( 0.000 -0.946 -6.731) 6.797 9.096 ( 0.000 -0.358 5.120) 5.132 9.568 ( 0.000 1.733 1.375) 2.212 9.880 ( 0.000 -10.071 0.997) 10.120 10.006 ( 0.000 -2.944 5.998) 6.682 10.022 ( 0.000 -4.684 13.682) 14.461 10.617 ( 0.000 9.351 6.208) 11.224 10.679 ( 0.000 4.617 -5.481) 7.166 10.811 ( 0.000 -2.200 -10.397) 10.627 11.111 ( 0.000 -12.466 6.063) 13.862 11.673 ( 0.000 11.977 -2.578) 12.252 11.851 ( 0.000 12.749 -1.112) 12.797 12.264 ( 0.000 -14.863 -6.719) 16.312 12.412 ( 0.000 -10.081 -8.435) 13.144 12.943 ( 0.000 1.380 -8.732) 8.841 13.056 ( 0.000 -3.246 -10.987) 11.456 13.322 ( 0.000 11.007 3.745) 11.627 13.544 ( 0.000 2.314 2.901) 3.711 13.687 ( 0.000 -1.999 -10.513) 10.701 13.771 ( 0.000 -7.816 -4.612) 9.075 14.216 ( 0.000 8.228 -3.658) 9.004 14.522 ( 0.000 15.236 0.354) 15.240 14.532 ( 0.000 -6.740 -0.123) 6.742 14.839 ( 0.000 0.676 -6.847) 6.881 14.873 ( 0.000 2.775 -9.507) 9.903 14.979 ( 0.000 -0.245 -8.250) 8.254 15.417 ( 0.000 4.799 13.433) 14.265 15.722 ( 0.000 -9.662 0.195) 9.664 15.812 ( 0.000 3.583 2.852) 4.580 16.159 ( 0.000 -13.362 18.536) 22.850 18.429 ( 0.000 12.985 9.404) 16.032 19.031 ( 0.000 -17.649 17.452) 24.820 19.647 ( 0.000 0.662 -1.244) 1.409 19.724 ( 0.000 -2.651 -0.672) 2.734 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 6.293 16.811 9.592) 20.352 1.731 ( 4.874 22.980 13.371) 27.030 2.169 ( -3.302 -9.242 -1.664) 9.954 2.456 ( 13.533 7.707 7.468) 17.271 2.556 ( 0.302 -7.767 7.229) 10.615 2.789 ( -0.245 -11.395 -6.039) 12.898 3.060 ( -3.390 -2.541 -4.205) 5.969 3.159 ( 0.084 -1.790 -7.653) 7.860 3.478 ( 0.980 11.276 -1.273) 11.389 3.678 ( 1.512 12.617 -2.383) 12.929 3.734 ( -0.424 6.266 -9.104) 11.060 4.247 ( -6.276 -12.584 -3.208) 14.424 4.811 ( 6.206 8.144 4.783) 11.301 4.857 ( 6.489 10.018 1.951) 12.094 5.375 ( -2.502 1.846 9.330) 9.834 5.699 ( -2.644 -2.321 1.201) 3.718 6.179 ( 13.227 3.301 7.158) 15.397 6.535 ( 7.555 10.502 -12.207) 17.787 6.731 ( -5.269 -12.085 0.072) 13.184 7.096 ( 10.494 -13.265 -9.334) 19.319 7.438 ( -0.502 30.622 3.613) 30.839 7.646 ( 3.616 2.753 10.001) 10.985 7.961 ( 0.364 -10.550 -0.371) 10.563 8.550 ( -2.750 -13.449 3.274) 14.112 8.618 ( -0.971 7.199 -1.263) 7.373 8.893 ( -5.500 -2.980 -6.246) 8.840 8.939 ( -4.651 4.675 1.621) 6.791 9.100 ( 0.397 -0.722 6.794) 6.844 9.604 ( 4.034 5.759 -1.293) 7.149 9.914 ( -1.971 -4.106 -2.254) 5.082 10.021 ( 1.842 -3.688 7.543) 8.596 10.112 ( 11.713 -7.650 2.846) 14.277 10.551 ( -4.753 4.592 -1.133) 6.705 10.695 ( 1.149 5.831 3.577) 6.937 10.802 ( -2.099 -4.286 -8.114) 9.413 11.087 ( -1.983 -11.467 5.417) 12.836 11.684 ( 0.586 11.435 -2.643) 11.751 11.846 ( -0.741 11.778 1.514) 11.898 12.207 ( -5.404 -8.146 -7.299) 12.200 12.375 ( -2.602 -10.266 -7.381) 12.909 12.886 ( -4.496 1.115 -6.080) 7.644 13.016 ( -4.602 0.714 -8.961) 10.099 13.282 ( -4.649 1.186 3.118) 5.722 13.516 ( -7.186 -4.039 -2.152) 8.520 13.629 ( 1.856 3.992 -6.303) 7.688 13.857 ( 5.201 -5.128 -4.077) 8.364 14.195 ( -2.045 7.678 -2.719) 8.398 14.405 ( -6.406 1.869 1.823) 6.918 14.636 ( 5.830 6.252 -4.532) 9.675 14.841 ( -0.085 -0.189 -8.364) 8.366 14.883 ( 2.033 4.745 -8.398) 9.858 15.014 ( 1.956 1.559 -6.159) 6.648 15.436 ( 1.813 3.572 13.111) 13.710 15.732 ( 1.318 -8.742 0.666) 8.866 15.826 ( 0.545 0.268 5.037) 5.074 16.144 ( -0.457 -11.430 16.997) 20.487 18.490 ( 6.285 13.378 8.712) 17.157 19.191 ( 13.186 -22.082 11.125) 28.022 19.652 ( 0.454 0.283 -2.082) 2.150 19.716 ( -0.929 -2.407 -1.377) 2.924 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 9.636 6.650 13.787) 18.088 1.814 ( 5.887 12.812 8.968) 16.710 2.084 ( -5.385 -8.395 0.034) 9.974 2.470 ( -2.467 -8.511 10.150) 13.474 2.765 ( 4.576 1.321 -7.119) 8.566 2.788 ( 4.629 -5.367 -6.393) 9.545 2.998 ( -2.176 -6.121 0.695) 6.533 3.133 ( -2.374 -3.461 -5.344) 6.795 3.522 ( 2.318 13.643 -2.625) 14.085 3.696 ( -2.979 6.800 -6.440) 9.828 3.714 ( 1.733 7.797 -2.008) 8.236 4.080 ( -10.371 -8.843 -1.935) 13.766 5.006 ( 8.677 15.449 1.309) 17.767 5.028 ( 15.460 13.310 4.611) 20.914 5.451 ( 9.180 -0.276 8.141) 12.273 5.733 ( 7.539 1.492 3.264) 8.349 6.424 ( 10.710 -0.850 3.427) 11.277 6.656 ( -1.476 -8.529 -1.852) 8.852 6.737 ( 13.631 7.691 -10.670) 18.942 7.306 ( 10.513 -14.228 -11.307) 20.996 7.398 ( -4.260 27.080 2.472) 27.524 7.755 ( 6.962 2.427 8.070) 10.931 7.995 ( 3.570 -2.648 -1.433) 4.670 8.447 ( -7.805 -7.700 2.937) 11.350 8.562 ( -6.003 0.481 -4.697) 7.637 8.703 ( -10.301 -4.730 -8.046) 13.901 8.895 ( -1.403 5.280 10.288) 11.649 9.098 ( -1.655 -1.152 8.201) 8.445 9.684 ( 2.042 8.922 -7.608) 11.902 9.853 ( -1.471 -2.068 -8.761) 9.121 10.081 ( 4.204 1.308 4.861) 6.559 10.308 ( 1.986 0.998 -5.319) 5.765 10.536 ( 7.302 -7.322 4.215) 11.167 10.681 ( -3.911 -3.746 -2.801) 6.097 10.745 ( -2.030 -0.482 4.690) 5.133 11.046 ( -2.260 -10.877 6.023) 12.637 11.678 ( -1.012 11.842 -2.909) 12.236 11.809 ( -3.064 10.299 4.237) 11.551 12.120 ( -1.761 1.949 -6.986) 7.463 12.343 ( -0.430 -11.097 -4.079) 11.831 12.796 ( -4.605 -0.920 -1.617) 4.966 12.874 ( -9.455 5.141 -4.655) 11.726 13.155 ( -7.875 -7.291 0.770) 10.760 13.295 ( -13.709 -7.284 -6.294) 16.751 13.734 ( 6.898 6.181 -2.279) 9.538 13.949 ( 4.205 -3.142 -2.902) 5.998 14.148 ( -2.292 6.466 -1.041) 6.939 14.296 ( -4.712 1.135 2.253) 5.345 14.737 ( 3.877 3.079 -7.600) 9.071 14.844 ( 0.476 -0.300 -9.816) 9.832 14.943 ( 3.232 5.878 -9.609) 11.719 15.025 ( -0.653 2.707 -4.153) 5.000 15.490 ( 4.085 2.043 10.968) 11.881 15.776 ( 2.867 -7.194 1.765) 7.943 15.829 ( 0.454 -0.667 9.199) 9.234 16.151 ( 0.329 -10.074 13.883) 17.157 18.667 ( 11.574 13.109 6.247) 18.569 19.429 ( 9.811 -22.537 2.219) 24.680 19.664 ( 0.452 -1.486 -3.643) 3.961 19.682 ( -2.555 -1.781 -2.829) 4.207 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.492 6.630 11.650) 13.414 1.965 ( -6.181 -2.496 2.127) 6.997 2.046 ( 13.807 -5.347 4.532) 15.485 2.444 ( -0.523 -12.546 8.661) 15.254 2.789 ( 1.861 1.124 -4.638) 5.122 2.840 ( -0.074 3.856 -4.474) 5.907 2.995 ( 0.417 -8.370 -2.566) 8.765 3.079 ( -3.150 -2.296 -4.462) 5.925 3.518 ( -1.734 8.076 -3.305) 8.896 3.636 ( -2.875 2.061 -3.775) 5.173 3.729 ( -1.501 1.199 0.946) 2.141 3.868 ( -10.358 -4.790 0.271) 11.415 5.198 ( 10.688 18.669 2.419) 21.648 5.332 ( 12.870 21.272 7.642) 26.010 5.696 ( 15.131 -7.883 2.481) 17.241 5.935 ( 10.471 0.349 -1.650) 10.605 6.589 ( 3.838 3.371 -7.753) 9.285 6.747 ( 15.794 -1.472 2.729) 16.095 7.035 ( 13.607 4.697 -10.335) 17.720 7.264 ( -7.321 21.380 3.647) 22.891 7.508 ( 10.077 -10.811 -11.300) 18.604 7.827 ( -2.706 4.124 5.702) 7.539 8.098 ( 5.580 1.358 -3.116) 6.533 8.299 ( -11.385 0.875 -3.443) 11.927 8.377 ( -5.033 -2.926 -3.671) 6.882 8.547 ( -5.437 -8.222 -9.511) 13.698 8.855 ( -3.701 1.937 4.171) 5.903 9.016 ( -6.665 -3.357 7.607) 10.656 9.666 ( -0.844 9.384 -11.737) 15.051 9.914 ( 5.696 0.859 -3.672) 6.831 10.108 ( -4.225 5.205 0.476) 6.721 10.293 ( 2.663 4.788 1.745) 5.750 10.573 ( -6.250 -9.255 -4.057) 11.882 10.638 ( -4.050 3.397 10.915) 12.127 10.799 ( 9.520 -14.279 4.139) 17.654 11.002 ( -1.919 -12.889 7.210) 14.892 11.673 ( 1.157 14.020 -1.373) 14.134 11.758 ( -1.308 12.581 5.004) 13.603 12.143 ( 3.299 4.801 -5.474) 7.993 12.358 ( 1.622 -10.792 -2.996) 11.317 12.668 ( -9.689 6.057 -3.750) 12.026 12.727 ( -2.880 -4.422 3.871) 6.544 12.975 ( -11.500 -8.108 -0.632) 14.085 13.028 ( -11.940 -8.480 -5.259) 15.561 13.870 ( 6.827 5.252 -1.305) 8.712 14.020 ( 3.085 -0.542 -2.463) 3.985 14.115 ( -1.092 4.182 0.183) 4.326 14.215 ( -3.764 0.678 1.867) 4.256 14.785 ( 1.445 2.021 -6.439) 6.902 14.852 ( 0.080 0.766 -9.045) 9.078 14.960 ( -1.179 1.602 -9.223) 9.436 15.013 ( -0.752 0.883 -8.395) 8.475 15.616 ( 8.960 1.557 8.015) 12.122 15.828 ( 2.378 -1.536 5.450) 6.141 15.858 ( 2.162 -3.231 7.720) 8.644 16.126 ( -3.321 -8.476 12.095) 15.138 18.922 ( 14.026 10.896 2.598) 17.950 19.565 ( 4.347 -15.368 -3.740) 16.403 19.591 ( -5.975 -0.183 -3.969) 7.176 19.681 ( 0.327 -5.991 -4.477) 7.486 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.631 4.538 6.502) 8.095 1.853 ( -4.698 1.782 3.649) 6.209 2.286 ( 9.905 -13.191 5.013) 17.240 2.415 ( -3.433 -16.251 6.555) 17.856 2.834 ( 2.293 5.273 -2.474) 6.259 2.852 ( 0.878 3.936 -1.807) 4.419 2.987 ( -0.550 -2.365 -4.783) 5.364 3.013 ( -3.076 -1.235 -6.091) 6.934 3.511 ( 1.531 3.413 -2.283) 4.383 3.572 ( -3.946 0.014 -1.934) 4.395 3.673 ( -1.449 -3.749 2.688) 4.835 3.717 ( -5.117 -4.089 3.284) 7.327 5.388 ( 7.777 20.450 3.564) 22.167 5.465 ( 0.745 22.004 6.561) 22.973 5.970 ( 10.793 -10.713 0.245) 15.209 6.066 ( 1.507 -7.354 -1.531) 7.662 6.688 ( 9.298 13.562 -5.063) 17.206 6.941 ( -13.903 16.225 -1.729) 21.437 7.202 ( 25.186 -0.341 -5.097) 25.698 7.398 ( 12.564 3.903 -6.283) 14.579 7.654 ( -0.367 3.328 -11.897) 12.359 7.657 ( -12.491 3.407 -3.026) 13.296 8.002 ( -9.076 -1.758 -3.362) 9.837 8.080 ( -8.024 -3.259 -4.758) 9.882 8.455 ( 8.601 3.094 -9.388) 13.103 8.554 ( 2.689 -4.434 -3.021) 6.001 8.755 ( -3.462 -3.376 -4.217) 6.416 8.853 ( -9.286 -6.011 4.753) 12.040 9.720 ( 6.373 11.669 -4.273) 13.966 9.885 ( -9.156 10.940 0.320) 14.269 10.136 ( 10.043 -1.768 -1.507) 10.308 10.351 ( -6.658 -5.033 4.941) 9.699 10.438 ( 1.141 1.801 3.464) 4.068 10.540 ( -5.401 -0.545 8.062) 9.719 10.938 ( 3.975 -16.016 5.381) 17.357 10.978 ( -0.907 -15.375 7.004) 16.919 11.721 ( 3.063 16.689 1.946) 17.079 11.755 ( -0.104 16.487 4.375) 17.058 12.226 ( 5.231 3.723 -5.346) 8.355 12.343 ( -5.187 -2.939 -5.341) 8.004 12.571 ( 2.631 -1.739 -1.235) 3.387 12.708 ( -4.400 -9.997 5.400) 12.185 12.750 ( -3.971 -4.309 -4.998) 7.702 12.844 ( -7.771 -9.369 0.320) 12.176 13.990 ( 5.217 4.547 -0.913) 6.980 14.055 ( -0.582 3.700 -1.826) 4.167 14.106 ( 0.733 0.199 0.591) 0.963 14.147 ( -3.045 0.251 1.053) 3.232 14.809 ( 1.323 2.665 -5.172) 5.967 14.838 ( -1.428 2.904 -5.679) 6.536 14.950 ( 0.685 -1.806 -10.899) 11.069 14.981 ( -2.113 -1.791 -11.181) 11.519 15.809 ( 9.121 -0.347 4.875) 10.348 15.865 ( 1.053 -0.864 4.758) 4.949 15.895 ( 2.126 -2.721 9.766) 10.359 16.017 ( -7.605 -5.516 10.854) 14.355 19.193 ( 13.363 7.229 -1.011) 15.227 19.427 ( -10.325 3.434 -3.392) 11.398 19.634 ( 2.629 -10.934 -6.038) 12.764 19.672 ( -1.230 -8.742 -5.623) 10.467 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 -12.691 -1.947) 12.840 1.884 ( 0.000 12.691 -1.947) 12.840 2.318 ( 0.000 -19.155 9.829) 21.530 2.318 ( 0.000 19.155 9.829) 21.530 2.419 ( 0.000 -0.786 2.519) 2.639 2.419 ( 0.000 0.786 2.519) 2.639 3.140 ( 0.000 -0.409 -7.963) 7.974 3.140 ( 0.000 0.409 -7.963) 7.974 3.701 ( 0.000 -8.546 -4.137) 9.495 3.701 ( 0.000 8.546 -4.137) 9.495 3.985 ( 0.000 -15.870 -3.168) 16.183 3.985 ( 0.000 15.870 -3.168) 16.183 4.823 ( 0.000 -3.691 11.574) 12.149 4.823 ( 0.000 3.691 11.574) 12.149 5.550 ( 0.000 -7.595 -3.553) 8.385 5.550 ( 0.000 7.595 -3.553) 8.385 6.419 ( 0.000 -19.132 5.553) 19.921 6.419 ( 0.000 19.132 5.553) 19.921 6.710 ( 0.000 -11.507 -9.443) 14.885 6.710 ( 0.000 11.507 -9.443) 14.885 7.727 ( 0.000 -8.262 4.743) 9.527 7.727 ( 0.000 8.262 4.743) 9.527 8.107 ( 0.000 -28.505 3.018) 28.664 8.107 ( 0.000 28.505 3.018) 28.664 8.811 ( 0.000 -8.591 -4.619) 9.754 8.811 ( 0.000 8.591 -4.619) 9.754 9.076 ( 0.000 -2.130 4.340) 4.835 9.076 ( 0.000 2.130 4.340) 4.835 9.674 ( 0.000 -7.964 0.730) 7.997 9.674 ( 0.000 7.964 0.730) 7.997 9.972 ( 0.000 -0.088 8.650) 8.650 9.972 ( 0.000 0.088 8.650) 8.650 10.756 ( 0.000 -2.916 -7.501) 8.048 10.756 ( 0.000 2.916 -7.501) 8.048 10.848 ( 0.000 -11.916 5.585) 13.160 10.848 ( 0.000 11.916 5.585) 13.160 11.950 ( 0.000 -14.165 -3.940) 14.703 11.950 ( 0.000 14.165 -3.940) 14.703 12.146 ( 0.000 -14.196 -2.910) 14.491 12.146 ( 0.000 14.196 -2.910) 14.491 12.990 ( 0.000 -2.913 -9.420) 9.860 12.990 ( 0.000 2.913 -9.420) 9.860 13.533 ( 0.000 -6.999 5.410) 8.846 13.533 ( 0.000 6.999 5.410) 8.846 13.652 ( 0.000 -0.243 -11.266) 11.269 13.652 ( 0.000 0.243 -11.266) 11.269 14.380 ( 0.000 -7.488 -1.089) 7.567 14.380 ( 0.000 7.488 -1.089) 7.567 14.793 ( 0.000 -7.485 -7.251) 10.421 14.793 ( 0.000 7.485 -7.251) 10.421 14.927 ( 0.000 -3.197 -9.819) 10.326 14.927 ( 0.000 3.197 -9.819) 10.326 15.537 ( 0.000 -6.978 7.805) 10.469 15.537 ( 0.000 6.978 7.805) 10.469 15.923 ( 0.000 -8.167 14.545) 16.681 15.923 ( 0.000 8.167 14.545) 16.681 18.711 ( 0.000 -13.742 10.433) 17.253 18.711 ( 0.000 13.742 10.433) 17.253 19.674 ( 0.000 -1.899 -1.056) 2.173 19.674 ( 0.000 1.899 -1.056) 2.173 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.374 -12.689 -0.790) 12.788 1.857 ( -1.374 12.689 -0.790) 12.788 2.270 ( -3.414 -16.909 14.962) 22.835 2.270 ( -3.414 16.909 14.962) 22.835 2.558 ( 10.046 -5.895 -2.818) 11.984 2.558 ( 10.046 5.895 -2.818) 11.984 3.102 ( -3.412 -4.022 -7.791) 9.408 3.102 ( -3.412 4.022 -7.791) 9.408 3.723 ( 1.879 -7.621 -5.167) 9.397 3.723 ( 1.879 7.621 -5.167) 9.397 3.963 ( -2.431 -13.831 -2.925) 14.344 3.963 ( -2.431 13.831 -2.925) 14.344 4.905 ( 8.193 -3.854 8.642) 12.517 4.905 ( 8.193 3.854 8.642) 12.517 5.551 ( 1.674 -10.245 1.063) 10.435 5.551 ( 1.674 10.245 1.063) 10.435 6.418 ( 0.591 -15.836 4.062) 16.360 6.418 ( 0.591 15.836 4.062) 16.360 6.797 ( 7.874 -13.906 -9.473) 18.578 6.797 ( 7.874 13.906 -9.473) 18.578 7.740 ( 1.375 -5.948 2.499) 6.596 7.740 ( 1.375 5.948 2.499) 6.596 8.112 ( 0.576 -26.401 3.721) 26.668 8.112 ( 0.576 26.401 3.721) 26.668 8.779 ( -4.528 -7.101 -4.992) 9.790 8.779 ( -4.528 7.101 -4.992) 9.790 9.040 ( -2.144 -4.092 7.629) 8.919 9.040 ( -2.144 4.092 7.629) 8.919 9.760 ( 5.777 -8.502 -2.193) 10.511 9.760 ( 5.777 8.502 -2.193) 10.511 10.009 ( 5.398 -2.374 5.279) 7.915 10.009 ( 5.398 2.374 5.279) 7.915 10.676 ( -7.008 -6.230 -6.458) 11.386 10.676 ( -7.008 6.230 -6.458) 11.386 10.863 ( 0.704 -8.837 6.096) 10.759 10.863 ( 0.704 8.837 6.096) 10.759 11.944 ( -0.828 -12.347 -4.517) 13.173 11.944 ( -0.828 12.347 -4.517) 13.173 12.132 ( -1.031 -12.370 -0.822) 12.440 12.132 ( -1.031 12.370 -0.822) 12.440 12.955 ( -3.474 -4.424 -8.504) 10.195 12.955 ( -3.474 4.424 -8.504) 10.195 13.390 ( -10.984 -6.763 -1.170) 12.952 13.390 ( -10.984 6.763 -1.170) 12.952 13.743 ( 5.932 -5.694 -4.610) 9.427 13.743 ( 5.932 5.694 -4.610) 9.427 14.340 ( -3.624 -5.851 -0.440) 6.896 14.340 ( -3.624 5.851 -0.440) 6.896 14.788 ( 0.398 -5.213 -8.940) 10.357 14.788 ( 0.398 5.213 -8.940) 10.357 14.989 ( 4.256 -4.106 -8.492) 10.348 14.989 ( 4.256 4.106 -8.492) 10.348 15.539 ( 0.626 -7.036 7.570) 10.354 15.539 ( 0.626 7.036 7.570) 10.354 15.927 ( 0.514 -8.284 14.315) 16.548 15.927 ( 0.514 8.284 14.315) 16.548 18.798 ( 8.228 -15.984 8.664) 19.957 18.798 ( 8.228 15.984 8.664) 19.957 19.672 ( -0.292 -1.609 -1.872) 2.486 19.672 ( -0.292 1.609 -1.872) 2.486 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 1.817 -6.830 1.442) 7.214 1.861 ( 1.817 6.830 1.442) 7.214 2.195 ( -4.145 -15.018 15.220) 21.780 2.195 ( -4.145 15.018 15.220) 21.780 2.724 ( 6.558 -1.673 -3.471) 7.606 2.724 ( 6.558 1.673 -3.471) 7.606 3.031 ( -3.349 -5.930 -6.465) 9.390 3.031 ( -3.349 5.930 -6.465) 9.390 3.736 ( -1.758 -4.484 -6.492) 8.083 3.736 ( -1.758 4.484 -6.492) 8.083 3.890 ( -4.978 -8.870 -2.020) 10.370 3.890 ( -4.978 8.870 -2.020) 10.370 5.136 ( 15.200 -4.679 3.951) 16.387 5.136 ( 15.200 4.679 3.951) 16.387 5.653 ( 8.218 -10.818 4.551) 14.328 5.653 ( 8.218 10.818 4.551) 14.328 6.478 ( 6.318 -6.625 1.690) 9.309 6.478 ( 6.318 6.625 1.690) 9.309 6.982 ( 10.732 -14.880 -9.156) 20.504 6.982 ( 10.732 14.880 -9.156) 20.504 7.766 ( 0.138 -3.931 0.301) 3.945 7.766 ( 0.138 3.931 0.301) 3.945 8.139 ( 2.964 -17.988 3.820) 18.626 8.139 ( 2.964 17.988 3.820) 18.626 8.614 ( -11.364 -3.607 -6.527) 13.592 8.614 ( -11.364 3.607 -6.527) 13.592 9.013 ( -1.842 -5.493 10.943) 12.382 9.013 ( -1.842 5.493 10.943) 12.382 9.807 ( 0.316 -2.703 -9.588) 9.966 9.807 ( 0.316 2.703 -9.588) 9.966 10.211 ( 12.849 -9.099 1.504) 15.816 10.211 ( 12.849 9.099 1.504) 15.816 10.522 ( -7.860 -6.161 -2.599) 10.320 10.522 ( -7.860 6.161 -2.599) 10.320 10.853 ( -2.207 -7.096 8.351) 11.179 10.853 ( -2.207 7.096 8.351) 11.179 11.917 ( -1.299 -7.777 -5.441) 9.580 11.917 ( -1.299 7.777 -5.441) 9.580 12.125 ( 0.565 -8.030 2.582) 8.454 12.125 ( 0.565 8.030 2.582) 8.454 12.861 ( -5.976 -5.440 -5.944) 10.032 12.861 ( -5.976 5.440 -5.944) 10.032 13.146 ( -13.526 -5.859 -2.975) 15.037 13.146 ( -13.526 5.859 -2.975) 15.037 13.858 ( 5.916 -5.291 -2.419) 8.297 13.858 ( 5.916 5.291 -2.419) 8.297 14.263 ( -3.871 -3.947 0.467) 5.548 14.263 ( -3.871 3.947 0.467) 5.548 14.809 ( 1.404 -2.984 -9.704) 10.249 14.809 ( 1.404 2.984 -9.704) 10.249 15.036 ( 0.064 -2.121 -7.481) 7.776 15.036 ( 0.064 2.121 -7.481) 7.776 15.583 ( 4.184 -7.442 6.210) 10.557 15.583 ( 4.184 7.442 6.210) 10.557 15.944 ( 1.006 -8.651 13.506) 16.070 15.944 ( 1.006 8.651 13.506) 16.070 18.994 ( 11.002 -17.928 4.692) 21.552 18.994 ( 11.002 17.928 4.692) 21.552 19.658 ( -1.323 -0.526 -3.639) 3.907 19.658 ( -1.323 0.526 -3.639) 3.907 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 3.617 -4.191 3.658) 6.636 1.918 ( 3.617 4.191 3.658) 6.636 2.116 ( -3.756 -14.389 12.184) 19.225 2.116 ( -3.756 14.389 12.184) 19.225 2.826 ( 4.352 -4.777 -3.014) 7.131 2.826 ( 4.352 4.777 -3.014) 7.131 2.984 ( -1.420 -6.148 -4.174) 7.565 2.984 ( -1.420 6.148 -4.174) 7.565 3.655 ( -5.292 -2.775 -4.999) 7.791 3.655 ( -5.292 2.775 -4.999) 7.791 3.774 ( -6.717 -3.428 -0.625) 7.567 3.774 ( -6.717 3.428 -0.625) 7.567 5.457 ( 16.278 -9.259 2.610) 18.908 5.457 ( 16.278 9.259 2.610) 18.908 5.810 ( 6.227 -13.428 2.492) 15.010 5.810 ( 6.227 13.428 2.492) 15.010 6.681 ( 14.350 -4.825 -3.106) 15.455 6.681 ( 14.350 4.825 -3.106) 15.455 7.211 ( 12.417 -12.213 -9.641) 19.907 7.211 ( 12.417 12.213 -9.641) 19.907 7.698 ( -6.844 -14.422 3.805) 16.410 7.698 ( -6.844 14.422 3.805) 16.410 8.245 ( 4.839 -8.791 -2.267) 10.288 8.245 ( 4.839 8.791 -2.267) 10.288 8.381 ( -9.460 -6.624 -6.784) 13.394 8.381 ( -9.460 6.624 -6.784) 13.394 8.924 ( -7.587 -4.396 6.485) 10.906 8.924 ( -7.587 4.396 6.485) 10.906 9.840 ( 3.908 -6.654 -10.396) 12.947 9.840 ( 3.908 6.654 -10.396) 12.947 10.325 ( -5.933 -13.224 -2.033) 14.636 10.325 ( -5.933 13.224 -2.033) 14.636 10.483 ( 7.307 -12.404 5.421) 15.384 10.483 ( 7.307 12.404 5.421) 15.384 10.775 ( -5.248 -7.900 10.503) 14.152 10.775 ( -5.248 7.900 10.503) 14.152 11.932 ( 3.436 -4.954 -4.967) 7.811 11.932 ( 3.436 4.954 -4.967) 7.811 12.149 ( 1.578 -4.686 3.650) 6.146 12.149 ( 1.578 4.686 3.650) 6.146 12.733 ( -6.837 -3.323 -3.258) 8.270 12.733 ( -6.837 3.323 -3.258) 8.270 12.885 ( -12.709 -3.736 -2.867) 13.553 12.885 ( -12.709 3.736 -2.867) 13.553 13.969 ( 5.369 -3.807 -1.368) 6.722 13.969 ( 5.369 3.807 -1.368) 6.722 14.195 ( -3.138 -2.638 0.756) 4.168 14.195 ( -3.138 2.638 0.756) 4.168 14.836 ( 1.470 -2.197 -9.274) 9.643 14.836 ( 1.470 2.197 -9.274) 9.643 14.999 ( -3.298 -1.867 -6.909) 7.880 14.999 ( -3.298 1.867 -6.909) 7.880 15.694 ( 6.678 -5.806 4.985) 10.156 15.694 ( 6.678 5.806 4.985) 10.156 15.953 ( -0.465 -7.221 11.519) 13.603 15.953 ( -0.465 7.221 11.519) 13.603 19.204 ( 10.247 -15.745 0.437) 18.791 19.204 ( 10.247 15.745 0.437) 18.791 19.614 ( -3.318 -1.931 -4.977) 6.285 19.614 ( -3.318 1.931 -4.977) 6.285 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.399 -10.410 5.988) 12.481 1.988 ( 3.399 10.410 5.988) 12.481 2.050 ( -3.121 -13.585 8.717) 16.440 2.050 ( -3.121 13.585 8.717) 16.440 2.904 ( 3.629 -3.724 -3.468) 6.250 2.904 ( 3.629 3.724 -3.468) 6.250 2.959 ( -1.818 -4.010 -3.267) 5.482 2.959 ( -1.818 4.010 -3.267) 5.482 3.588 ( -0.461 -1.652 -1.826) 2.505 3.588 ( -0.461 1.652 -1.826) 2.505 3.646 ( -5.705 -2.080 0.010) 6.072 3.646 ( -5.705 2.080 0.010) 6.072 5.725 ( 10.565 -12.584 2.464) 16.615 5.725 ( 10.565 12.584 2.464) 16.615 5.852 ( -2.280 -13.508 2.053) 13.852 5.852 ( -2.280 13.508 2.053) 13.852 7.004 ( 17.544 -13.476 -6.370) 23.021 7.004 ( 17.544 13.476 -6.370) 23.021 7.300 ( -9.439 -11.091 -8.081) 16.655 7.300 ( -9.439 11.091 -8.081) 16.655 7.690 ( 12.647 -1.828 -1.319) 12.847 7.690 ( 12.647 1.828 -1.319) 12.847 8.025 ( -17.877 -3.020 -9.514) 20.475 8.025 ( -17.877 3.020 -9.514) 20.475 8.508 ( 12.057 -1.303 -1.323) 12.199 8.508 ( 12.057 1.303 -1.323) 12.199 8.737 ( -11.030 -3.012 0.668) 11.453 8.737 ( -11.030 3.012 0.668) 11.453 9.966 ( 8.746 -10.124 -4.394) 14.082 9.966 ( 8.746 10.124 -4.394) 14.082 10.157 ( -10.048 -11.548 -0.865) 15.332 10.157 ( -10.048 11.548 -0.865) 15.332 10.606 ( 4.509 -13.741 7.516) 16.298 10.606 ( 4.509 13.741 7.516) 16.298 10.681 ( -3.977 -11.353 10.139) 15.732 10.681 ( -3.977 11.353 10.139) 15.732 12.045 ( 7.212 -3.740 -2.854) 8.611 12.045 ( 7.212 3.740 -2.854) 8.611 12.153 ( -2.480 -2.325 1.203) 3.606 12.153 ( -2.480 2.325 1.203) 3.606 12.629 ( -2.250 -2.569 -1.697) 3.813 12.629 ( -2.250 2.569 -1.697) 3.813 12.682 ( -7.284 -3.803 -1.389) 8.334 12.682 ( -7.284 3.803 -1.389) 8.334 14.063 ( 4.227 -2.157 -0.484) 4.770 14.063 ( 4.227 2.157 -0.484) 4.770 14.135 ( -3.212 -1.537 0.339) 3.577 14.135 ( -3.212 1.537 0.339) 3.577 14.872 ( 2.317 -2.166 -8.318) 8.902 14.872 ( 2.317 2.166 -8.318) 8.902 14.929 ( -3.493 -2.202 -7.314) 8.399 14.929 ( -3.493 2.202 -7.314) 8.399 15.822 ( 6.022 -1.700 5.917) 8.612 15.822 ( 6.022 1.700 5.917) 8.612 15.916 ( -3.423 -3.513 8.572) 9.876 15.916 ( -3.423 3.513 8.572) 9.876 19.386 ( 8.320 -10.907 -2.971) 14.036 19.386 ( 8.320 10.907 -2.971) 14.036 19.525 ( -5.867 -5.838 -4.860) 9.598 19.525 ( -5.867 5.838 -4.860) 9.598 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 0.000 26.382) 26.382 1.338 ( 0.000 0.000 28.605) 28.605 2.395 ( 0.000 0.000 -6.508) 6.508 2.508 ( 0.000 0.000 46.877) 46.877 2.770 ( 0.000 0.000 -9.942) 9.942 2.911 ( 0.000 0.000 -18.051) 18.051 2.986 ( 0.000 0.000 -7.913) 7.913 2.991 ( 0.000 0.000 5.249) 5.249 3.219 ( 0.000 0.000 -2.881) 2.881 3.266 ( 0.000 0.000 -6.462) 6.462 3.561 ( 0.000 0.000 -2.743) 2.743 3.888 ( 0.000 0.000 9.917) 9.917 4.617 ( 0.000 0.000 -5.022) 5.022 5.004 ( 0.000 0.000 16.557) 16.557 5.710 ( 0.000 0.000 -16.686) 16.686 5.905 ( 0.000 0.000 -4.023) 4.023 5.943 ( 0.000 0.000 15.795) 15.795 6.255 ( 0.000 0.000 7.616) 7.616 6.717 ( 0.000 0.000 3.778) 3.778 6.798 ( 0.000 0.000 -24.677) 24.677 7.316 ( 0.000 0.000 12.739) 12.739 7.908 ( 0.000 0.000 -19.856) 19.856 8.140 ( 0.000 0.000 28.876) 28.876 8.390 ( 0.000 0.000 -1.229) 1.229 8.629 ( 0.000 0.000 3.460) 3.460 8.686 ( 0.000 0.000 -10.235) 10.235 8.885 ( 0.000 0.000 -6.263) 6.263 9.127 ( 0.000 0.000 -0.645) 0.645 9.977 ( 0.000 0.000 4.840) 4.840 9.999 ( 0.000 0.000 -1.427) 1.427 10.287 ( 0.000 0.000 -1.320) 1.320 10.362 ( 0.000 0.000 6.525) 6.525 10.449 ( 0.000 0.000 -15.207) 15.207 10.581 ( 0.000 0.000 17.330) 17.330 10.653 ( 0.000 0.000 2.576) 2.576 11.325 ( 0.000 0.000 -6.627) 6.627 11.325 ( 0.000 0.000 -1.638) 1.638 11.589 ( 0.000 0.000 5.639) 5.639 11.990 ( 0.000 0.000 -14.127) 14.127 12.449 ( 0.000 0.000 -15.175) 15.175 12.827 ( 0.000 0.000 -4.382) 4.382 13.092 ( 0.000 0.000 6.102) 6.102 13.094 ( 0.000 0.000 -9.305) 9.305 13.421 ( 0.000 0.000 -18.256) 18.256 13.583 ( 0.000 0.000 -2.639) 2.639 13.785 ( 0.000 0.000 -2.727) 2.727 14.008 ( 0.000 0.000 -1.070) 1.070 14.321 ( 0.000 0.000 5.846) 5.846 14.534 ( 0.000 0.000 -9.650) 9.650 14.648 ( 0.000 0.000 -10.460) 10.460 14.731 ( 0.000 0.000 -1.603) 1.603 14.783 ( 0.000 0.000 -3.385) 3.385 15.592 ( 0.000 0.000 15.111) 15.111 15.808 ( 0.000 0.000 17.283) 17.283 15.963 ( 0.000 0.000 0.862) 0.862 16.803 ( 0.000 0.000 9.432) 9.432 18.419 ( 0.000 0.000 19.984) 19.984 19.616 ( 0.000 0.000 -1.121) 1.121 19.771 ( 0.000 0.000 -2.216) 2.216 20.092 ( 0.000 0.000 -5.732) 5.732 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 11.364 0.000 20.370) 23.326 1.542 ( 17.127 0.000 23.076) 28.737 2.342 ( -5.440 0.000 -8.521) 10.109 2.650 ( 11.529 0.000 27.691) 29.995 2.772 ( -0.875 0.000 -10.148) 10.186 2.933 ( 3.319 0.000 -7.962) 8.626 2.952 ( -2.566 0.000 4.186) 4.910 2.954 ( -2.372 0.000 -3.641) 4.346 3.188 ( -5.249 0.000 -0.136) 5.251 3.320 ( 8.048 0.000 -3.013) 8.594 3.568 ( 1.691 0.000 -3.815) 4.173 3.974 ( 8.573 0.000 9.219) 12.589 4.542 ( -7.393 0.000 -4.131) 8.468 5.020 ( 1.541 0.000 15.847) 15.922 5.631 ( -4.036 0.000 -6.876) 7.972 5.742 ( -8.246 0.000 8.243) 11.659 6.084 ( 10.538 0.000 4.478) 11.450 6.463 ( 11.840 0.000 -8.725) 14.707 6.715 ( -0.169 0.000 3.156) 3.160 6.817 ( 3.652 0.000 -16.317) 16.721 7.369 ( 3.949 0.000 10.725) 11.430 7.893 ( -1.782 0.000 -18.482) 18.568 7.981 ( -11.716 0.000 16.473) 20.214 8.432 ( 2.749 0.000 -4.349) 5.145 8.697 ( 0.997 0.000 -8.402) 8.461 8.803 ( 11.474 0.000 12.716) 17.127 8.846 ( -3.543 0.000 -5.125) 6.231 8.992 ( -12.634 0.000 1.552) 12.729 9.771 ( -14.303 0.000 -10.130) 17.527 9.793 ( -6.813 0.000 10.111) 12.192 10.254 ( -13.733 0.000 -4.249) 14.375 10.476 ( 11.905 0.000 3.118) 12.307 10.492 ( 1.786 0.000 3.934) 4.320 10.627 ( 3.003 0.000 -7.917) 8.467 10.856 ( 15.922 0.000 9.083) 18.331 11.166 ( -5.984 0.000 -1.051) 6.076 11.431 ( 2.339 0.000 1.041) 2.560 11.689 ( 8.636 0.000 2.249) 8.924 11.814 ( -13.815 0.000 -9.250) 16.626 12.444 ( 0.198 0.000 -12.588) 12.589 12.878 ( 2.536 0.000 -5.638) 6.182 12.895 ( -10.078 0.000 -0.497) 10.091 13.291 ( 9.902 0.000 -2.788) 10.287 13.397 ( -2.248 0.000 -18.019) 18.159 13.554 ( -3.736 0.000 -3.441) 5.079 13.787 ( 0.208 0.000 -2.923) 2.930 14.012 ( 0.534 0.000 -0.797) 0.960 14.305 ( -1.641 0.000 4.585) 4.870 14.427 ( -4.722 0.000 -5.377) 7.156 14.661 ( 1.128 0.000 -9.360) 9.427 14.778 ( -0.531 0.000 -3.157) 3.201 14.794 ( 2.687 0.000 -2.590) 3.732 15.667 ( 4.521 0.000 13.992) 14.705 15.817 ( 2.370 0.000 7.617) 7.977 16.035 ( 5.256 0.000 4.452) 6.888 16.748 ( -3.963 0.000 11.562) 12.222 18.467 ( 4.922 0.000 18.409) 19.055 19.586 ( -2.703 0.000 -2.647) 3.784 19.743 ( -2.961 0.000 -2.913) 4.154 20.121 ( 1.415 0.000 -8.418) 8.536 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 10.555 0.000 5.910) 12.097 1.884 ( 16.887 0.000 17.583) 24.379 2.189 ( -9.876 0.000 -10.912) 14.718 2.700 ( -5.290 0.000 -5.315) 7.499 2.724 ( -2.413 0.000 -8.477) 8.814 2.883 ( -3.966 0.000 -1.864) 4.382 2.942 ( 1.170 0.000 1.447) 1.860 3.089 ( -3.737 0.000 -5.661) 6.783 3.177 ( 14.482 0.000 18.588) 23.563 3.533 ( 11.291 0.000 -0.056) 11.291 3.671 ( 12.143 0.000 2.234) 12.347 4.196 ( 13.179 0.000 7.902) 15.366 4.354 ( -10.829 0.000 -0.952) 10.871 5.052 ( 1.080 0.000 13.996) 14.038 5.626 ( 4.305 0.000 -3.237) 5.386 5.687 ( 3.024 0.000 7.128) 7.743 6.292 ( 10.460 0.000 -2.983) 10.877 6.600 ( 3.722 0.000 -14.370) 14.844 6.709 ( -0.608 0.000 1.685) 1.791 6.975 ( 10.773 0.000 2.085) 10.973 7.419 ( 1.121 0.000 0.363) 1.178 7.723 ( -14.080 0.000 0.365) 14.085 7.870 ( -1.149 0.000 -9.047) 9.119 8.412 ( -6.542 0.000 -8.075) 10.392 8.635 ( -10.099 0.000 -7.533) 12.598 8.743 ( -6.142 0.000 3.323) 6.983 8.845 ( -9.928 0.000 -3.321) 10.468 8.878 ( 5.719 0.000 -2.557) 6.264 9.674 ( 7.305 0.000 -1.023) 7.377 9.739 ( -3.945 0.000 8.998) 9.825 10.039 ( -3.973 0.000 -7.623) 8.597 10.369 ( -13.530 0.000 5.698) 14.681 10.646 ( 4.305 0.000 3.973) 5.858 10.678 ( 2.149 0.000 -10.161) 10.386 11.143 ( 12.445 0.000 3.929) 13.051 11.143 ( 4.299 0.000 3.828) 5.757 11.460 ( 1.359 0.000 5.092) 5.270 11.607 ( -5.860 0.000 -0.555) 5.886 11.850 ( 7.050 0.000 3.343) 7.802 12.450 ( 0.219 0.000 -10.057) 10.059 12.698 ( -10.257 0.000 0.375) 10.264 12.884 ( -1.645 0.000 -4.670) 4.951 13.322 ( -6.227 0.000 -13.726) 15.073 13.432 ( -7.522 0.000 -4.209) 8.619 13.472 ( 8.548 0.000 -4.065) 9.465 13.795 ( 0.672 0.000 -3.483) 3.548 14.033 ( 1.634 0.000 -0.168) 1.642 14.260 ( -2.825 0.000 2.100) 3.521 14.432 ( 4.537 0.000 -7.867) 9.082 14.684 ( 0.990 0.000 -6.963) 7.033 14.762 ( -1.111 0.000 -2.565) 2.796 14.824 ( 0.779 0.000 -2.244) 2.376 15.708 ( 0.683 0.000 9.361) 9.386 15.887 ( 2.949 0.000 1.723) 3.415 16.120 ( 3.876 0.000 8.923) 9.729 16.701 ( -1.082 0.000 13.660) 13.703 18.607 ( 9.273 0.000 13.919) 16.725 19.530 ( -2.451 0.000 -6.888) 7.312 19.656 ( -5.991 0.000 -4.356) 7.407 20.096 ( -4.322 0.000 -10.798) 11.631 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -1.747 0.000 -10.481) 10.625 1.977 ( -11.468 0.000 -12.146) 16.705 2.193 ( 14.896 0.000 13.049) 19.803 2.676 ( 4.393 0.000 4.721) 6.449 2.688 ( -0.041 0.000 -9.152) 9.152 2.791 ( -5.558 0.000 1.228) 5.692 2.966 ( 0.491 0.000 2.174) 2.229 2.998 ( -5.793 0.000 -6.833) 8.958 3.365 ( 5.964 0.000 3.428) 6.879 3.648 ( 1.121 0.000 -5.822) 5.929 4.025 ( 16.209 0.000 12.878) 20.702 4.191 ( -3.108 0.000 5.375) 6.209 4.454 ( 12.798 0.000 7.869) 15.024 5.027 ( -4.228 0.000 12.107) 12.824 5.820 ( 15.535 0.000 -2.384) 15.717 5.873 ( 16.257 0.000 -0.664) 16.271 6.485 ( 9.048 0.000 -6.004) 10.859 6.657 ( 1.849 0.000 -7.149) 7.385 6.681 ( -2.568 0.000 -0.979) 2.749 7.131 ( 3.602 0.000 16.617) 17.003 7.393 ( -19.874 0.000 -2.854) 20.078 7.490 ( 8.537 0.000 -18.625) 20.488 7.888 ( 3.500 0.000 -11.298) 11.828 8.141 ( -20.458 0.000 -11.674) 23.554 8.395 ( -12.602 0.000 -5.726) 13.842 8.544 ( -17.164 0.000 -22.490) 28.292 8.738 ( 4.617 0.000 -0.140) 4.619 9.020 ( 6.713 0.000 2.471) 7.153 9.573 ( -9.532 0.000 5.990) 11.258 9.943 ( 16.852 0.000 10.663) 19.942 10.000 ( -16.156 0.000 0.315) 16.159 10.181 ( 8.759 0.000 -4.817) 9.996 10.642 ( -4.014 0.000 4.013) 5.676 10.693 ( -1.221 0.000 -9.540) 9.618 11.300 ( 9.782 0.000 8.323) 12.844 11.340 ( 8.097 0.000 4.346) 9.190 11.494 ( 2.096 0.000 8.309) 8.569 11.558 ( -0.715 0.000 5.477) 5.523 11.960 ( 4.831 0.000 4.897) 6.879 12.461 ( 1.375 0.000 -8.651) 8.760 12.490 ( -11.111 0.000 1.014) 11.157 12.817 ( -5.611 0.000 -5.760) 8.042 13.173 ( -6.490 0.000 -3.615) 7.429 13.306 ( -5.759 0.000 -5.148) 7.725 13.621 ( 6.763 0.000 -5.530) 8.736 13.810 ( 0.662 0.000 -4.414) 4.464 14.072 ( 2.190 0.000 0.350) 2.218 14.199 ( -3.298 0.000 0.198) 3.304 14.548 ( 6.286 0.000 -11.052) 12.714 14.696 ( 0.290 0.000 -4.382) 4.392 14.737 ( -1.345 0.000 -1.848) 2.285 14.822 ( -1.381 0.000 -4.603) 4.806 15.737 ( 3.146 0.000 1.452) 3.465 15.915 ( 0.279 0.000 0.142) 0.313 16.210 ( 5.597 0.000 14.543) 15.583 16.659 ( -4.279 0.000 16.109) 16.668 18.819 ( 12.166 0.000 7.532) 14.308 19.509 ( -9.009 0.000 -4.994) 10.301 19.516 ( 1.612 0.000 -11.665) 11.776 19.961 ( -8.990 0.000 -12.335) 15.263 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.905 0.000 -15.245) 15.272 1.775 ( -7.952 0.000 -14.361) 16.415 2.461 ( 12.289 0.000 9.356) 15.445 2.660 ( -8.175 0.000 5.602) 9.910 2.735 ( 4.769 0.000 -9.449) 10.584 2.819 ( 8.012 0.000 5.419) 9.672 2.862 ( -7.595 0.000 -8.840) 11.654 2.938 ( -3.754 0.000 3.266) 4.976 3.467 ( 5.362 0.000 -1.228) 5.501 3.583 ( -6.075 0.000 -4.870) 7.786 4.184 ( 5.161 0.000 11.382) 12.497 4.241 ( 1.185 0.000 10.939) 11.003 4.689 ( 11.385 0.000 8.987) 14.505 4.892 ( -9.128 0.000 10.423) 13.855 6.189 ( 20.411 0.000 0.297) 20.413 6.276 ( 22.196 0.000 -3.641) 22.492 6.513 ( -10.270 0.000 3.380) 10.812 6.605 ( -9.471 0.000 -0.439) 9.481 6.716 ( 9.685 0.000 -12.244) 15.611 6.993 ( -18.946 0.000 -9.037) 20.991 7.226 ( 10.279 0.000 0.605) 10.297 7.541 ( -15.754 0.000 -9.646) 18.472 7.882 ( 7.109 0.000 -15.688) 17.223 8.013 ( 9.177 0.000 -16.984) 19.304 8.138 ( -14.107 0.000 -9.291) 16.891 8.239 ( -13.834 0.000 -23.075) 26.904 8.887 ( 9.728 0.000 3.997) 10.517 9.056 ( -4.922 0.000 6.209) 7.923 9.488 ( 3.226 0.000 2.595) 4.140 9.675 ( -14.362 0.000 1.879) 14.484 10.261 ( 14.916 0.000 9.739) 17.814 10.415 ( 12.204 0.000 -8.043) 14.616 10.505 ( -9.911 0.000 5.981) 11.576 10.611 ( -7.353 0.000 -8.882) 11.530 11.461 ( 5.938 0.000 12.470) 13.812 11.467 ( 5.018 0.000 6.252) 8.017 11.521 ( -0.268 0.000 11.749) 11.752 11.536 ( -2.135 0.000 7.120) 7.433 12.076 ( 7.922 0.000 2.994) 8.469 12.269 ( -11.243 0.000 1.488) 11.341 12.523 ( 5.336 0.000 -8.098) 9.698 12.666 ( -8.735 0.000 -7.631) 11.599 13.129 ( 1.589 0.000 0.244) 1.607 13.200 ( -4.945 0.000 -1.764) 5.250 13.736 ( 4.920 0.000 -6.465) 8.125 13.804 ( -1.821 0.000 -5.826) 6.104 14.110 ( 1.615 0.000 0.371) 1.657 14.143 ( -2.184 0.000 -0.060) 2.185 14.663 ( 5.519 0.000 -10.668) 12.011 14.700 ( 0.351 0.000 -2.399) 2.424 14.714 ( -1.015 0.000 -1.564) 1.864 14.762 ( -4.491 0.000 -8.055) 9.223 15.825 ( 4.947 0.000 -3.412) 6.009 15.898 ( -2.233 0.000 -3.055) 3.784 16.346 ( 8.524 0.000 18.884) 20.718 16.525 ( -8.921 0.000 18.699) 20.718 19.066 ( 12.897 0.000 1.144) 12.947 19.307 ( -11.583 0.000 -3.329) 12.052 19.601 ( 6.943 0.000 -14.182) 15.790 19.771 ( -9.894 0.000 -13.895) 17.057 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 12.852 22.547) 25.952 1.498 ( 0.000 13.942 22.471) 26.445 2.325 ( 0.000 -6.407 -4.371) 7.756 2.510 ( 0.000 -0.105 20.965) 20.965 2.824 ( 0.000 -6.810 -3.476) 7.646 2.829 ( 0.000 4.192 2.379) 4.821 2.875 ( 0.000 0.357 -7.438) 7.446 3.169 ( 0.000 -6.191 -1.337) 6.334 3.255 ( 0.000 12.320 -10.995) 16.513 3.331 ( 0.000 9.316 -3.708) 10.027 3.472 ( 0.000 -6.234 -1.576) 6.431 4.190 ( 0.000 24.304 2.617) 24.444 4.481 ( 0.000 -10.908 -5.472) 12.204 5.081 ( 0.000 5.081 20.911) 21.519 5.692 ( 0.000 -2.634 -12.817) 13.085 5.848 ( 0.000 -9.268 11.841) 15.037 5.955 ( 0.000 5.943 -10.223) 11.824 6.218 ( 0.000 1.142 17.939) 17.976 6.754 ( 0.000 -3.941 -22.564) 22.905 6.938 ( 0.000 19.147 4.255) 19.614 7.272 ( 0.000 -3.764 13.657) 14.167 7.927 ( 0.000 -1.944 -20.577) 20.668 8.042 ( 0.000 -8.099 22.776) 24.174 8.449 ( 0.000 5.012 -0.583) 5.046 8.700 ( 0.000 7.421 -2.428) 7.808 8.769 ( 0.000 5.508 -1.400) 5.683 8.840 ( 0.000 -4.093 -6.558) 7.731 9.161 ( 0.000 2.613 1.593) 3.061 9.761 ( 0.000 -11.978 5.362) 13.123 9.991 ( 0.000 -1.378 -1.787) 2.257 10.287 ( 0.000 -7.180 6.488) 9.677 10.406 ( 0.000 1.746 0.322) 1.775 10.463 ( 0.000 2.249 -14.098) 14.276 10.543 ( 0.000 -1.019 11.804) 11.848 10.665 ( 0.000 1.679 2.755) 3.226 11.331 ( 0.000 -1.924 -3.118) 3.664 11.412 ( 0.000 7.408 -2.244) 7.740 11.668 ( 0.000 7.179 5.636) 9.127 12.036 ( 0.000 4.458 -17.970) 18.515 12.352 ( 0.000 -8.377 -12.855) 15.343 12.799 ( 0.000 -1.612 -4.371) 4.659 13.003 ( 0.000 -7.397 -7.968) 10.873 13.180 ( 0.000 6.798 2.775) 7.342 13.423 ( 0.000 0.555 -15.889) 15.899 13.558 ( 0.000 -1.133 -1.485) 1.868 13.888 ( 0.000 3.656 -6.194) 7.192 13.929 ( 0.000 -2.467 1.086) 2.696 14.387 ( 0.000 6.086 4.445) 7.536 14.597 ( 0.000 4.535 -9.140) 10.204 14.620 ( 0.000 -4.668 -8.158) 9.399 14.682 ( 0.000 -0.380 -3.410) 3.431 14.834 ( 0.000 2.212 -3.938) 4.516 15.603 ( 0.000 0.772 11.801) 11.826 15.874 ( 0.000 5.958 16.724) 17.753 15.903 ( 0.000 -5.388 1.335) 5.551 16.720 ( 0.000 -7.377 11.633) 13.775 18.491 ( 0.000 6.507 17.762) 18.917 19.611 ( 0.000 -0.310 -1.493) 1.525 19.739 ( 0.000 -4.572 -1.360) 4.770 19.820 ( 0.000 -19.716 2.437) 19.866 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 10.042 10.364 19.230) 24.043 1.697 ( 14.939 12.580 18.555) 26.939 2.288 ( -3.757 -4.687 -4.721) 7.641 2.540 ( 1.783 -4.335 8.985) 10.134 2.753 ( -3.380 -4.113 -7.077) 8.856 2.839 ( -0.510 -3.625 3.225) 4.878 2.974 ( 6.747 2.373 -5.024) 8.740 3.154 ( -1.269 -1.800 2.468) 3.308 3.217 ( -2.348 12.790 -4.282) 13.690 3.399 ( 6.707 7.660 -2.071) 10.390 3.481 ( 1.565 -5.625 -3.796) 6.964 4.249 ( 6.121 21.538 3.934) 22.734 4.420 ( -5.713 -8.449 -4.527) 11.159 5.103 ( 2.328 5.356 19.558) 20.412 5.636 ( -3.406 -2.360 -2.161) 4.674 5.712 ( -5.598 0.190 6.025) 8.226 6.111 ( 9.455 2.236 -6.180) 11.514 6.380 ( 11.690 -3.504 3.995) 12.841 6.765 ( 2.298 -3.506 -14.267) 14.870 6.945 ( 0.515 18.952 2.128) 19.078 7.288 ( 0.777 -6.364 9.574) 11.522 7.899 ( -2.360 -1.119 -15.247) 15.469 7.989 ( -3.644 -2.224 15.575) 16.150 8.481 ( 1.725 3.367 -3.713) 5.301 8.722 ( -3.975 0.027 -8.553) 9.432 8.767 ( 1.720 4.831 4.865) 7.069 8.814 ( -0.876 -4.139 -5.700) 7.098 9.143 ( -3.291 9.545 7.000) 12.286 9.694 ( -2.669 -6.200 6.926) 9.671 9.808 ( -12.877 1.741 -8.295) 15.416 10.211 ( -12.645 -3.913 -3.924) 13.806 10.315 ( 5.389 -7.944 2.532) 9.928 10.598 ( 2.832 -2.053 -5.576) 6.582 10.659 ( 6.215 7.835 5.572) 11.448 10.755 ( 9.432 -6.154 7.565) 13.567 11.258 ( -2.342 3.062 -0.385) 3.875 11.477 ( 2.215 3.598 -0.482) 4.252 11.737 ( 5.882 5.054 4.621) 9.027 11.882 ( -11.759 7.021 -13.366) 19.137 12.361 ( 1.062 -7.376 -11.136) 13.400 12.828 ( 1.270 -3.768 -5.314) 6.637 12.884 ( -8.002 -1.361 -3.615) 8.886 13.272 ( 2.413 -2.960 -8.464) 9.286 13.411 ( 2.324 3.358 -7.398) 8.450 13.522 ( -4.815 -2.428 -3.919) 6.666 13.877 ( -0.901 3.713 -5.792) 6.939 13.956 ( 2.778 -0.987 0.383) 2.973 14.359 ( -3.044 4.303 2.606) 5.880 14.485 ( -3.442 4.028 -4.759) 7.122 14.667 ( 1.507 0.006 -8.998) 9.124 14.721 ( 1.607 -1.510 -3.158) 3.851 14.860 ( 1.671 2.930 -3.740) 5.037 15.659 ( 3.802 -0.814 11.368) 12.014 15.841 ( 0.156 0.995 5.436) 5.529 15.997 ( 5.550 -1.961 8.832) 10.614 16.674 ( -3.381 -6.605 12.880) 14.865 18.535 ( 4.513 6.196 16.441) 18.140 19.580 ( -2.752 -0.582 -2.750) 3.934 19.716 ( -2.632 -2.542 -2.935) 4.691 19.871 ( 3.778 -19.909 -1.293) 20.306 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 7.902 8.712 8.785) 14.681 1.979 ( 12.576 5.425 14.078) 19.641 2.191 ( -4.973 0.753 -2.890) 5.801 2.534 ( -1.302 -6.541 -1.948) 6.948 2.697 ( -2.073 -3.316 -7.408) 8.376 2.844 ( 0.703 -5.054 1.531) 5.327 2.998 ( -2.954 -0.257 -10.067) 10.495 3.094 ( -4.622 3.290 -1.090) 5.777 3.295 ( 6.716 8.056 6.593) 12.388 3.541 ( 4.975 -2.332 -4.092) 6.851 3.612 ( 14.895 -0.059 6.294) 16.170 4.226 ( -9.776 -8.947 -1.793) 13.373 4.473 ( 12.512 22.484 5.304) 26.272 5.178 ( 5.252 7.943 16.700) 19.224 5.635 ( 4.335 -1.637 2.627) 5.326 5.681 ( 2.497 3.142 1.556) 4.304 6.283 ( 7.594 -0.505 -9.802) 12.409 6.561 ( 7.056 -0.567 -5.955) 9.250 6.868 ( 6.434 -2.437 5.789) 8.991 6.957 ( 1.157 14.668 -0.238) 14.716 7.286 ( 0.398 -8.733 -6.186) 10.709 7.843 ( -4.377 4.167 -7.742) 9.822 7.942 ( -1.297 5.623 7.695) 9.618 8.443 ( -7.127 2.043 -8.247) 11.090 8.561 ( -10.718 -4.521 -7.283) 13.725 8.677 ( -7.939 -5.927 -0.367) 9.914 8.920 ( 5.024 6.026 -6.521) 10.201 8.943 ( -11.852 6.586 -0.179) 13.560 9.680 ( -2.723 -4.894 7.145) 9.078 9.752 ( 6.325 4.799 2.410) 8.298 10.027 ( -1.498 -0.408 -8.702) 8.839 10.313 ( -8.038 -3.977 3.520) 9.634 10.629 ( 0.767 -2.683 -7.927) 8.403 10.737 ( 1.944 5.842 5.621) 8.337 10.938 ( 10.118 -9.546 8.166) 16.131 11.285 ( 4.252 1.775 3.205) 5.612 11.480 ( -1.124 1.477 1.043) 2.129 11.698 ( -3.563 9.874 -0.106) 10.498 11.873 ( 5.374 2.453 1.492) 6.093 12.387 ( 1.421 -5.583 -8.534) 10.297 12.706 ( -9.480 0.351 -2.672) 9.856 12.837 ( -1.221 -3.471 -4.030) 5.457 13.219 ( -5.823 -8.159 -13.538) 16.845 13.352 ( -9.753 -6.430 -2.703) 11.990 13.551 ( 7.939 6.005 -3.246) 10.470 13.865 ( -0.174 4.348 -5.317) 6.871 14.020 ( 3.260 0.225 -0.155) 3.271 14.286 ( -3.908 1.806 0.621) 4.349 14.495 ( 3.399 4.879 -7.031) 9.208 14.692 ( 1.006 -0.070 -6.207) 6.288 14.738 ( 0.496 0.193 -3.290) 3.332 14.875 ( -0.212 3.195 -3.067) 4.434 15.697 ( 0.783 -1.029 8.513) 8.611 15.882 ( 2.746 -0.712 1.322) 3.129 16.084 ( 3.741 -2.425 11.614) 12.440 16.630 ( -1.314 -6.407 13.807) 15.278 18.664 ( 8.587 5.340 12.377) 15.982 19.523 ( -2.634 -0.702 -6.705) 7.238 19.635 ( -5.641 -1.798 -4.639) 7.521 19.905 ( -1.040 -16.128 -6.645) 17.474 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -3.366 5.022 -2.360) 6.490 1.989 ( -8.857 1.380 -4.961) 10.245 2.300 ( 13.033 5.615 10.743) 17.799 2.580 ( 6.372 -3.934 2.990) 8.064 2.683 ( 0.869 -0.859 -7.348) 7.449 2.829 ( -2.945 -1.379 -0.582) 3.304 2.935 ( -2.967 -1.841 -6.849) 7.688 3.002 ( -4.643 1.708 0.830) 5.016 3.380 ( 3.083 1.569 0.065) 3.460 3.616 ( 1.144 -2.670 -4.496) 5.353 3.887 ( 9.324 -8.249 9.894) 15.902 4.057 ( -4.921 -10.011 3.464) 11.681 4.747 ( 14.559 23.006 6.706) 28.040 5.259 ( 1.045 16.704 14.430) 22.098 5.813 ( 13.561 -0.081 -3.310) 13.959 5.843 ( 15.168 -2.632 -0.711) 15.411 6.387 ( 2.861 -3.547 -8.106) 9.300 6.700 ( 7.091 4.585 -8.599) 12.051 6.910 ( -0.751 15.258 2.542) 15.487 6.989 ( 0.726 -6.729 8.561) 10.913 7.400 ( 11.149 -5.753 -16.631) 20.832 7.648 ( -16.399 12.719 -2.712) 20.930 7.937 ( 0.101 4.527 -5.938) 7.468 8.164 ( -18.278 2.051 -12.537) 22.259 8.331 ( -12.610 -5.460 -8.651) 16.237 8.550 ( -7.832 -0.514 -10.364) 13.001 8.731 ( -1.574 0.499 -4.548) 4.838 9.072 ( 5.135 4.421 2.581) 7.251 9.545 ( -7.231 -2.130 4.910) 8.997 9.937 ( 8.038 -1.229 4.534) 9.310 10.055 ( -11.046 3.345 3.526) 12.068 10.189 ( 12.375 2.742 -3.145) 13.059 10.615 ( -3.020 -4.712 -6.510) 8.585 10.722 ( -3.208 5.125 4.378) 7.465 11.163 ( 11.804 -9.559 7.335) 16.868 11.371 ( 3.471 -4.228 7.312) 9.132 11.483 ( 2.259 3.438 4.554) 6.137 11.682 ( 0.092 10.040 6.196) 11.798 11.965 ( 4.670 1.027 1.986) 5.177 12.411 ( 0.360 -3.953 -5.686) 6.934 12.514 ( -9.138 1.542 -3.189) 9.800 12.787 ( -4.466 -2.631 -5.231) 7.365 13.068 ( -7.506 -8.740 -5.643) 12.829 13.194 ( -6.351 -9.261 -3.671) 11.814 13.698 ( 6.846 6.031 -4.239) 10.060 13.871 ( 0.591 4.590 -5.278) 7.020 14.075 ( 2.340 0.415 0.179) 2.383 14.211 ( -3.744 0.904 -0.449) 3.878 14.579 ( 4.591 2.395 -9.406) 10.737 14.705 ( 0.414 -0.059 -4.437) 4.456 14.741 ( -0.241 1.681 -3.312) 3.722 14.849 ( -2.624 1.979 -4.157) 5.300 15.736 ( 3.880 0.048 2.493) 4.612 15.915 ( 0.574 -0.027 0.458) 0.735 16.167 ( 5.050 -3.583 14.857) 16.095 16.584 ( -4.261 -6.713 15.342) 17.280 18.860 ( 11.223 3.918 6.366) 13.484 19.498 ( -7.426 -1.017 -6.068) 9.644 19.500 ( -0.197 -1.427 -10.456) 10.555 19.831 ( -6.095 -11.318 -10.074) 16.332 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.694 4.874 -6.515) 8.166 1.820 ( -6.854 4.022 -6.619) 10.342 2.532 ( 10.214 3.814 6.357) 12.621 2.674 ( -2.071 -0.619 2.228) 3.104 2.745 ( 4.271 -0.639 -6.994) 8.219 2.773 ( 1.536 -1.232 0.308) 1.993 2.867 ( -3.495 -0.433 -4.845) 5.989 2.913 ( -4.801 -0.748 4.086) 6.349 3.449 ( 4.430 -1.000 -2.054) 4.985 3.555 ( -5.916 -1.996 -4.230) 7.541 3.980 ( 3.650 -13.177 9.596) 16.704 4.036 ( -1.128 -13.276 9.008) 16.083 5.008 ( 11.770 22.801 7.759) 26.808 5.195 ( -7.028 22.009 10.502) 25.379 6.113 ( 14.323 -5.265 -1.970) 15.387 6.194 ( 13.624 -9.526 -1.605) 16.701 6.417 ( 4.254 2.150 -2.675) 5.466 6.675 ( -12.183 6.374 -2.052) 13.902 6.977 ( 7.642 14.740 -8.687) 18.739 7.042 ( 4.976 2.477 -8.826) 10.430 7.323 ( -9.966 8.593 -5.937) 14.436 7.483 ( -13.199 -5.236 -10.944) 17.927 7.840 ( 5.806 -3.500 -15.961) 17.341 8.075 ( -12.931 -4.787 -11.142) 17.728 8.115 ( 8.033 8.329 -10.059) 15.332 8.331 ( -12.466 7.844 -14.377) 20.582 8.853 ( 10.412 -3.217 4.908) 11.952 9.050 ( -7.688 -0.962 6.795) 10.306 9.521 ( 5.664 3.596 1.177) 6.812 9.721 ( -13.781 4.506 0.871) 14.525 10.237 ( 14.027 -3.575 3.608) 14.918 10.431 ( 8.173 1.654 -2.135) 8.607 10.494 ( -6.686 -2.350 0.257) 7.092 10.625 ( -6.867 3.628 1.747) 7.960 11.344 ( 5.921 -9.517 7.132) 13.285 11.400 ( -0.475 -8.851 8.091) 12.001 11.568 ( 5.577 7.747 9.582) 13.525 11.658 ( -2.990 8.661 10.195) 13.707 12.084 ( 7.980 1.161 0.277) 8.069 12.272 ( -10.746 0.310 -0.346) 10.756 12.505 ( 5.158 -1.719 -8.009) 9.680 12.647 ( -8.707 -1.842 -7.794) 11.830 13.013 ( 1.496 -9.865 -0.391) 9.985 13.084 ( -5.011 -9.807 -1.677) 11.141 13.812 ( 4.662 6.034 -5.531) 9.420 13.870 ( -1.238 5.305 -5.701) 7.885 14.111 ( 1.504 0.064 0.123) 1.510 14.147 ( -2.545 0.251 -0.444) 2.595 14.667 ( 4.347 0.566 -7.671) 8.835 14.711 ( 0.067 0.876 -2.640) 2.782 14.732 ( -0.296 1.462 -4.562) 4.800 14.776 ( -4.304 1.204 -6.711) 8.063 15.834 ( 5.060 0.979 -1.918) 5.500 15.903 ( -1.909 0.678 -1.739) 2.670 16.290 ( 7.773 -5.041 17.718) 19.994 16.456 ( -8.417 -6.242 17.415) 20.325 19.088 ( 11.881 2.123 0.268) 12.072 19.311 ( -10.716 0.383 -3.976) 11.436 19.561 ( 5.302 -3.605 -13.207) 14.681 19.692 ( -7.582 -6.996 -12.494) 16.203 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 10.138 15.035) 18.133 1.837 ( 0.000 14.184 9.102) 16.853 2.208 ( 0.000 -1.343 3.560) 3.805 2.457 ( 0.000 -4.790 -2.161) 5.255 2.655 ( 0.000 -7.582 -1.400) 7.711 2.871 ( 0.000 -4.207 14.207) 14.817 2.949 ( 0.000 4.315 -4.687) 6.370 3.007 ( 0.000 -6.599 -5.817) 8.797 3.446 ( 0.000 4.324 -4.769) 6.438 3.461 ( 0.000 6.563 -16.300) 17.572 3.580 ( 0.000 13.530 -4.509) 14.261 4.207 ( 0.000 -14.476 -6.300) 15.787 4.738 ( 0.000 23.857 -0.253) 23.859 5.160 ( 0.000 1.514 23.515) 23.563 5.613 ( 0.000 -3.838 -4.055) 5.583 5.649 ( 0.000 -7.416 16.012) 17.646 6.138 ( 0.000 10.195 -16.890) 19.729 6.332 ( 0.000 7.658 13.312) 15.358 6.656 ( 0.000 -3.751 -12.044) 12.615 7.063 ( 0.000 -10.794 16.233) 19.494 7.534 ( 0.000 29.625 4.434) 29.955 7.824 ( 0.000 -5.600 -11.556) 12.841 7.858 ( 0.000 -7.795 11.318) 13.742 8.581 ( 0.000 6.938 -1.885) 7.190 8.612 ( 0.000 -14.700 -2.127) 14.853 8.803 ( 0.000 -1.444 -8.416) 8.539 8.982 ( 0.000 11.473 4.185) 12.213 9.204 ( 0.000 0.750 3.636) 3.712 9.610 ( 0.000 -1.328 1.475) 1.985 9.890 ( 0.000 -8.701 -1.484) 8.827 10.158 ( 0.000 -2.917 7.885) 8.407 10.298 ( 0.000 -7.765 11.194) 13.624 10.518 ( 0.000 2.465 -13.556) 13.779 10.570 ( 0.000 0.978 -3.895) 4.016 10.755 ( 0.000 7.187 4.064) 8.256 11.193 ( 0.000 -10.245 1.549) 10.361 11.607 ( 0.000 10.591 -3.506) 11.157 11.867 ( 0.000 10.758 3.705) 11.378 12.086 ( 0.000 -6.611 -10.303) 12.242 12.168 ( 0.000 -3.771 -13.470) 13.988 12.784 ( 0.000 0.235 -5.713) 5.717 12.857 ( 0.000 -4.971 -7.471) 8.974 13.304 ( 0.000 3.736 -11.231) 11.836 13.484 ( 0.000 6.088 -2.012) 6.412 13.498 ( 0.000 -5.187 -6.644) 8.429 13.768 ( 0.000 -6.129 2.555) 6.640 14.098 ( 0.000 9.861 -5.473) 11.278 14.483 ( 0.000 -7.656 -5.205) 9.258 14.551 ( 0.000 8.530 1.709) 8.700 14.684 ( 0.000 3.458 -8.177) 8.878 14.694 ( 0.000 0.589 -5.736) 5.767 14.848 ( 0.000 -1.333 -4.563) 4.753 15.617 ( 0.000 0.675 6.766) 6.799 15.763 ( 0.000 -6.868 2.712) 7.384 16.045 ( 0.000 9.821 17.141) 19.755 16.518 ( 0.000 -11.053 15.400) 18.956 18.678 ( 0.000 10.919 13.921) 17.692 19.331 ( 0.000 -20.830 10.539) 23.344 19.610 ( 0.000 0.422 -2.274) 2.312 19.691 ( 0.000 -3.091 -2.795) 4.167 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 5.645 7.695 14.234) 17.137 1.946 ( 6.136 6.340 7.147) 11.355 2.226 ( 2.225 3.693 6.314) 7.646 2.493 ( 3.392 -2.820 -4.599) 6.372 2.632 ( -1.429 -6.091 0.041) 6.257 2.796 ( -6.743 1.563 4.070) 8.030 2.986 ( 3.084 -4.396 -1.925) 5.705 3.022 ( 0.266 -8.136 -1.844) 8.347 3.430 ( 0.238 8.063 -6.880) 10.602 3.488 ( 1.430 4.596 -12.733) 13.613 3.616 ( 3.429 11.571 -3.176) 12.480 4.154 ( -5.183 -12.958 -5.657) 15.059 4.798 ( 6.655 23.032 1.209) 24.004 5.178 ( 2.095 1.123 20.059) 20.200 5.558 ( -1.246 -1.892 9.000) 9.281 5.722 ( 3.959 -1.886 4.114) 6.013 6.198 ( 5.415 7.070 -15.232) 17.645 6.414 ( 7.773 5.081 8.509) 12.595 6.676 ( 2.298 -3.424 -7.457) 8.521 7.070 ( 0.295 -11.162 11.000) 15.674 7.492 ( -3.713 25.820 0.702) 26.095 7.855 ( 3.478 -1.895 -0.159) 3.964 7.871 ( 1.441 -5.585 3.212) 6.602 8.540 ( -3.102 -2.969 -3.650) 5.636 8.619 ( -2.230 -6.174 -1.210) 6.675 8.731 ( -6.871 -1.347 -7.563) 10.306 8.986 ( 2.412 11.088 1.052) 11.396 9.266 ( 2.224 0.117 6.939) 7.288 9.635 ( 0.441 2.827 3.851) 4.798 9.825 ( -8.887 -0.880 -6.809) 11.230 10.082 ( -4.023 -6.582 -1.678) 7.894 10.165 ( -2.096 -6.868 0.274) 7.186 10.561 ( 3.226 -0.392 0.283) 3.262 10.650 ( 1.576 -3.393 1.751) 4.131 10.826 ( 6.323 7.410 5.106) 10.998 11.179 ( -0.736 -8.573 3.179) 9.173 11.618 ( 0.469 9.379 -3.436) 10.000 11.888 ( 1.368 7.522 2.750) 8.125 12.030 ( -4.933 2.760 -9.910) 11.409 12.183 ( 2.343 -6.686 -9.021) 11.470 12.756 ( -2.290 -1.957 -5.603) 6.361 12.840 ( -1.970 -2.710 -7.492) 8.207 13.218 ( -7.886 -0.944 -11.870) 14.282 13.394 ( -8.303 -6.532 -5.371) 11.851 13.561 ( 5.600 6.939 -1.514) 9.044 13.817 ( 3.962 -4.432 -0.099) 5.946 14.098 ( -0.010 8.984 -4.785) 10.179 14.398 ( -5.530 -2.477 -2.954) 6.741 14.576 ( 0.520 4.789 -1.774) 5.133 14.660 ( 0.091 0.083 -6.786) 6.787 14.748 ( 3.301 3.486 -5.415) 7.237 14.895 ( 3.119 -0.086 -4.882) 5.794 15.640 ( 1.832 -0.582 7.223) 7.474 15.773 ( 1.227 -6.187 2.546) 6.802 16.063 ( 1.603 7.659 16.152) 17.948 16.490 ( -2.258 -10.223 15.241) 18.491 18.718 ( 4.071 10.974 12.685) 17.261 19.387 ( 4.478 -20.464 6.885) 22.051 19.592 ( -1.577 -0.210 -3.512) 3.856 19.666 ( -2.569 -2.993 -3.663) 5.383 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 6.996 3.086 7.239) 10.530 1.997 ( 2.700 -1.967 9.035) 9.633 2.247 ( -2.313 6.638 13.053) 14.825 2.579 ( 5.043 6.409 -9.497) 12.517 2.621 ( 0.322 -4.344 1.743) 4.691 2.694 ( -2.149 -3.919 0.045) 4.470 2.962 ( -3.226 -3.272 -7.086) 8.445 3.044 ( -0.157 -9.559 0.722) 9.588 3.457 ( 0.504 7.143 -4.781) 8.610 3.519 ( 2.773 2.870 -8.709) 9.580 3.703 ( 5.077 5.477 -0.004) 7.468 4.017 ( -8.531 -9.928 -4.079) 13.711 5.002 ( 13.257 22.193 2.320) 25.955 5.270 ( 8.683 0.909 13.761) 16.296 5.597 ( 5.337 1.113 7.670) 9.410 5.807 ( 4.767 4.520 3.740) 7.559 6.311 ( 5.543 4.650 -12.919) 14.807 6.602 ( 10.629 3.049 -0.202) 11.060 6.751 ( 5.000 -4.783 5.039) 8.560 7.083 ( 2.374 -10.485 -5.887) 12.256 7.412 ( -4.433 22.401 -1.953) 22.919 7.909 ( 1.923 3.133 -5.596) 6.695 7.961 ( 6.381 -2.959 9.731) 12.006 8.433 ( -9.165 -6.825 -8.539) 14.265 8.505 ( -9.689 -0.130 0.002) 9.689 8.543 ( -10.533 -3.488 -5.416) 12.347 9.074 ( 0.445 7.038 6.164) 9.366 9.122 ( -10.776 8.685 -9.166) 16.601 9.578 ( -2.140 -3.182 0.895) 3.938 9.752 ( -1.816 -5.196 -0.539) 5.531 10.071 ( 9.374 4.380 -5.585) 11.758 10.238 ( 0.696 -3.043 -0.961) 3.266 10.577 ( -1.835 -1.772 -1.936) 3.202 10.705 ( 6.524 -8.452 10.050) 14.663 10.908 ( 1.692 6.214 7.988) 10.261 11.181 ( 0.572 -7.980 6.522) 10.322 11.614 ( -0.127 9.341 -2.816) 9.758 11.877 ( -1.827 3.433 2.381) 4.560 11.989 ( 1.394 8.404 -6.050) 10.449 12.249 ( 3.714 -6.136 -3.737) 8.088 12.690 ( -5.082 -1.342 -6.589) 8.429 12.785 ( -3.359 -1.595 -4.827) 6.093 13.046 ( -8.989 -6.367 -11.983) 16.277 13.183 ( -12.471 -8.891 -4.433) 15.944 13.693 ( 7.373 6.903 -1.502) 10.211 13.892 ( 3.509 -1.595 -2.944) 4.850 14.098 ( 0.095 6.289 -2.901) 6.927 14.301 ( -4.473 -1.122 -2.076) 5.058 14.591 ( 1.413 3.611 -5.602) 6.813 14.672 ( 0.835 -1.072 -5.434) 5.601 14.802 ( 1.767 4.843 -4.899) 7.112 14.926 ( -0.331 1.019 -4.354) 4.484 15.675 ( 2.186 -0.408 7.258) 7.591 15.822 ( 3.677 -5.220 2.431) 6.832 16.092 ( 1.153 4.257 14.881) 15.521 16.452 ( -1.768 -9.827 14.096) 17.274 18.830 ( 7.149 10.322 8.912) 15.398 19.447 ( 0.826 -13.011 -1.169) 13.089 19.568 ( -0.767 -5.662 -5.029) 7.612 19.594 ( -4.464 -3.164 -5.609) 7.835 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -2.297 4.484 3.856) 6.344 2.087 ( -5.062 8.920 5.982) 11.873 2.238 ( 8.973 -7.753 13.827) 18.216 2.619 ( -0.930 -7.674 7.669) 10.889 2.675 ( 4.529 5.649 -6.509) 9.736 2.716 ( 3.114 0.088 -6.145) 6.890 2.903 ( -2.457 -2.897 -6.731) 7.729 3.008 ( -3.105 -3.857 -0.795) 5.015 3.443 ( -0.671 4.703 -4.163) 6.316 3.568 ( 1.096 -0.834 -2.708) 3.038 3.772 ( 0.424 -2.900 3.204) 4.342 3.853 ( -6.661 -8.111 -1.456) 10.596 5.256 ( 12.433 20.707 3.693) 24.433 5.531 ( 14.967 6.325 9.600) 18.872 5.755 ( 10.211 -0.777 4.520) 11.194 5.902 ( 5.702 5.224 -0.952) 7.792 6.411 ( 5.220 6.020 -8.506) 11.655 6.804 ( 8.859 2.251 -9.461) 13.155 6.849 ( 6.127 -3.592 5.522) 8.996 7.204 ( 8.538 -9.308 -13.483) 18.475 7.320 ( -4.110 18.633 -3.148) 19.339 7.854 ( -11.281 7.585 -11.054) 17.521 7.997 ( -8.678 -3.109 -1.492) 9.338 8.139 ( -14.810 -7.247 -12.191) 20.505 8.291 ( -5.809 5.835 -5.630) 9.974 8.503 ( 5.614 -3.307 7.508) 9.941 8.813 ( -12.294 7.460 -6.701) 15.865 9.138 ( -3.211 -0.704 4.560) 5.621 9.536 ( 1.865 3.066 -0.782) 3.673 9.855 ( 9.866 -6.704 -1.858) 12.072 10.122 ( -9.834 4.469 0.211) 10.804 10.311 ( 11.063 4.861 -1.909) 12.234 10.515 ( -3.730 -2.103 1.580) 4.564 10.829 ( 0.355 0.700 7.151) 7.194 10.950 ( 6.432 -6.783 9.847) 13.578 11.179 ( -0.801 -10.268 9.051) 13.711 11.658 ( 5.010 10.279 0.504) 11.446 11.863 ( 0.412 5.160 4.880) 7.114 12.047 ( 4.077 6.868 -4.057) 8.958 12.304 ( 1.336 -5.688 -1.896) 6.143 12.556 ( -7.706 2.590 -6.419) 10.358 12.718 ( -3.606 -3.583 -4.321) 6.671 12.865 ( -9.831 -8.772 -8.888) 15.893 12.964 ( -8.531 -11.449 -3.136) 14.619 13.833 ( 6.738 6.097 -2.402) 9.399 13.952 ( 2.615 1.889 -4.573) 5.597 14.103 ( 0.259 2.642 -1.201) 2.914 14.219 ( -4.034 -0.594 -1.888) 4.493 14.629 ( 2.472 2.213 -6.698) 7.475 14.693 ( 1.414 -0.785 -5.099) 5.349 14.807 ( -1.211 3.702 -4.651) 6.067 14.884 ( -3.675 0.865 -4.155) 5.614 15.752 ( 5.857 1.730 4.989) 7.886 15.899 ( 3.761 -2.363 2.932) 5.322 16.109 ( 0.906 0.046 13.783) 13.813 16.399 ( -4.181 -9.994 13.433) 17.257 18.987 ( 8.722 8.148 3.404) 12.412 19.443 ( -0.163 -5.857 -7.950) 9.876 19.477 ( -6.734 -0.795 -6.650) 9.498 19.559 ( -1.541 -10.842 -7.091) 13.046 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.712 9.019 4.455) 10.085 1.964 ( -5.228 10.465 5.444) 12.903 2.432 ( 8.945 -11.756 8.599) 17.093 2.567 ( -4.727 -12.495 7.326) 15.236 2.750 ( 2.991 2.316 -6.077) 7.158 2.774 ( 1.435 3.569 -6.424) 7.487 2.880 ( 0.798 0.516 -3.360) 3.491 2.936 ( -3.931 -0.217 -0.202) 3.943 3.458 ( 2.520 2.644 -2.837) 4.625 3.534 ( -4.318 0.945 -2.226) 4.949 3.744 ( 0.390 -8.968 4.081) 9.861 3.785 ( -2.683 -9.445 3.970) 10.591 5.485 ( 10.718 19.602 5.618) 23.037 5.642 ( -3.838 17.887 9.697) 20.705 5.976 ( 10.109 -7.822 0.723) 12.802 6.039 ( 4.566 -4.121 -0.810) 6.203 6.570 ( 12.766 11.410 -5.865) 18.098 6.829 ( -8.203 7.143 -8.977) 14.103 7.056 ( 13.866 -1.208 -10.051) 17.168 7.263 ( 3.768 3.693 -5.349) 7.513 7.328 ( -4.436 0.552 -17.369) 17.935 7.522 ( -17.883 7.660 -12.854) 23.318 7.756 ( -2.118 -4.022 -17.500) 18.081 7.910 ( -12.109 -10.195 -10.885) 19.210 8.353 ( 8.784 12.323 0.507) 15.142 8.542 ( -8.709 11.479 -0.187) 14.410 8.755 ( 10.586 -5.875 6.366) 13.679 8.985 ( -11.000 -5.824 7.911) 14.748 9.660 ( 9.387 9.535 -2.074) 13.540 9.871 ( -11.450 9.457 -1.331) 14.910 10.107 ( 11.983 -8.138 -1.860) 14.604 10.326 ( -8.917 -8.811 -4.852) 13.442 10.579 ( 9.233 8.031 9.136) 15.271 10.743 ( -7.052 6.498 9.136) 13.245 11.087 ( 5.389 -13.870 8.613) 17.193 11.154 ( -1.934 -12.995 9.368) 16.136 11.786 ( 6.863 11.956 4.314) 14.445 11.870 ( -1.074 10.574 6.291) 12.351 12.138 ( 5.322 3.368 -3.154) 7.044 12.259 ( -6.171 -3.044 -2.619) 7.363 12.477 ( 1.573 0.730 -6.889) 7.104 12.592 ( -8.671 -2.936 -8.237) 12.315 12.769 ( 0.917 -11.743 -1.699) 11.901 12.837 ( -5.161 -12.448 -2.317) 13.673 13.946 ( 4.448 5.890 -3.726) 8.268 13.987 ( 0.412 4.960 -5.013) 7.064 14.108 ( 0.580 -0.421 -0.744) 1.033 14.145 ( -3.263 -0.684 -1.605) 3.700 14.689 ( 3.568 1.454 -5.492) 6.709 14.729 ( 2.017 0.444 -3.967) 4.472 14.765 ( -2.612 1.594 -5.298) 6.118 14.801 ( -4.215 0.713 -4.972) 6.557 15.876 ( 5.766 3.209 2.233) 6.966 15.940 ( -0.372 3.034 2.393) 3.882 16.156 ( 4.723 -6.846 14.034) 16.314 16.284 ( -7.239 -9.316 13.796) 18.153 19.161 ( 9.000 4.912 -2.077) 10.462 19.330 ( -8.234 1.669 -5.720) 10.164 19.460 ( 1.992 -5.940 -10.390) 12.133 19.512 ( -2.947 -8.604 -9.613) 13.233 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 -4.913 4.761) 6.841 1.911 ( 0.000 4.913 4.761) 6.841 2.342 ( 0.000 -7.387 -1.177) 7.480 2.342 ( 0.000 7.387 -1.177) 7.480 2.630 ( 0.000 -9.007 12.043) 15.038 2.630 ( 0.000 9.007 12.043) 15.038 2.995 ( 0.000 -0.228 -5.601) 5.605 2.995 ( 0.000 0.228 -5.601) 5.605 3.523 ( 0.000 -0.855 -14.152) 14.178 3.523 ( 0.000 0.855 -14.152) 14.178 3.888 ( 0.000 -15.230 -6.155) 16.427 3.888 ( 0.000 15.230 -6.155) 16.427 5.095 ( 0.000 -9.174 10.052) 13.609 5.095 ( 0.000 9.174 10.052) 13.609 5.567 ( 0.000 -0.335 11.522) 11.527 5.567 ( 0.000 0.335 11.522) 11.527 6.343 ( 0.000 -7.621 -16.219) 17.920 6.343 ( 0.000 7.621 -16.219) 17.920 6.770 ( 0.000 -14.197 17.956) 22.891 6.770 ( 0.000 14.197 17.956) 22.891 7.762 ( 0.000 -0.628 -0.899) 1.097 7.762 ( 0.000 0.628 -0.899) 1.097 8.162 ( 0.000 -27.057 1.598) 27.104 8.162 ( 0.000 27.057 1.598) 27.104 8.721 ( 0.000 -5.792 -4.304) 7.216 8.721 ( 0.000 5.792 -4.304) 7.216 9.164 ( 0.000 -5.145 2.922) 5.917 9.164 ( 0.000 5.145 2.922) 5.917 9.692 ( 0.000 -8.025 -0.251) 8.029 9.692 ( 0.000 8.025 -0.251) 8.029 10.167 ( 0.000 -3.619 9.624) 10.282 10.167 ( 0.000 3.619 9.624) 10.282 10.562 ( 0.000 -1.511 -9.181) 9.305 10.562 ( 0.000 1.511 -9.181) 9.305 10.955 ( 0.000 -11.129 3.180) 11.574 10.955 ( 0.000 11.129 3.180) 11.574 11.849 ( 0.000 -12.042 -5.208) 13.120 11.849 ( 0.000 12.042 -5.208) 13.120 12.076 ( 0.000 -7.793 -3.607) 8.587 12.076 ( 0.000 7.793 -3.607) 8.587 12.800 ( 0.000 -1.210 -7.865) 7.958 12.800 ( 0.000 1.210 -7.865) 7.958 13.380 ( 0.000 -4.709 -13.613) 14.404 13.380 ( 0.000 4.709 -13.613) 14.404 13.636 ( 0.000 -6.942 3.991) 8.008 13.636 ( 0.000 6.942 3.991) 8.008 14.303 ( 0.000 -9.232 -5.318) 10.654 14.303 ( 0.000 9.232 -5.318) 10.654 14.683 ( 0.000 -2.458 -3.834) 4.554 14.683 ( 0.000 2.458 -3.834) 4.554 14.770 ( 0.000 -5.290 -5.256) 7.457 14.770 ( 0.000 5.290 -5.256) 7.457 15.651 ( 0.000 -3.225 4.270) 5.351 15.651 ( 0.000 3.225 4.270) 5.351 16.275 ( 0.000 -11.570 17.428) 20.919 16.275 ( 0.000 11.570 17.428) 20.919 18.952 ( 0.000 -15.186 11.766) 19.211 18.952 ( 0.000 15.186 11.766) 19.211 19.635 ( 0.000 -2.000 -2.814) 3.452 19.635 ( 0.000 2.000 -2.814) 3.452 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.045 -5.308 6.209) 8.235 1.916 ( 1.045 5.308 6.209) 8.235 2.401 ( 4.241 -6.117 -1.659) 7.626 2.401 ( 4.241 6.117 -1.659) 7.626 2.658 ( 2.696 -11.292 12.380) 16.972 2.658 ( 2.696 11.292 12.380) 16.972 2.946 ( -4.258 -4.474 -6.708) 9.119 2.946 ( -4.258 4.474 -6.708) 9.119 3.537 ( 1.313 -1.160 -13.638) 13.750 3.537 ( 1.313 1.160 -13.638) 13.750 3.875 ( -1.434 -13.014 -5.556) 14.223 3.875 ( -1.434 13.014 -5.556) 14.223 5.120 ( 3.218 -7.593 9.787) 12.798 5.120 ( 3.218 7.593 9.787) 12.798 5.620 ( 5.091 -6.398 9.325) 12.402 5.620 ( 5.091 6.398 9.325) 12.402 6.383 ( 4.096 -8.298 -12.953) 15.919 6.383 ( 4.096 8.298 -12.953) 15.919 6.789 ( 1.945 -13.285 13.923) 19.342 6.789 ( 1.945 13.285 13.923) 19.342 7.753 ( -0.240 -3.295 -0.869) 3.416 7.753 ( -0.240 3.295 -0.869) 3.416 8.169 ( 0.414 -23.804 0.818) 23.822 8.169 ( 0.414 23.804 0.818) 23.822 8.677 ( -4.993 -3.947 -4.518) 7.805 8.677 ( -4.993 3.947 -4.518) 7.805 9.180 ( 1.975 -6.925 3.809) 8.146 9.180 ( 1.975 6.925 3.809) 8.146 9.754 ( 0.203 -5.724 0.403) 5.742 9.754 ( 0.203 5.724 0.403) 5.742 10.037 ( -4.671 -3.321 -2.543) 6.271 10.037 ( -4.671 3.321 -2.543) 6.271 10.589 ( 0.662 -2.487 0.336) 2.595 10.589 ( 0.662 2.487 0.336) 2.595 10.988 ( 2.915 -8.410 4.894) 10.158 10.988 ( 2.915 8.410 4.894) 10.158 11.837 ( -1.196 -10.332 -5.186) 11.622 11.837 ( -1.196 10.332 -5.186) 11.622 12.099 ( 1.994 -5.382 -2.570) 6.289 12.099 ( 1.994 5.382 -2.570) 6.289 12.774 ( -2.427 -3.028 -8.093) 8.975 12.774 ( -2.427 3.028 -8.093) 8.975 13.258 ( -10.331 -4.823 -10.242) 15.326 13.258 ( -10.331 4.823 -10.242) 15.326 13.708 ( 5.580 -6.202 0.645) 8.368 13.708 ( 5.580 6.202 0.645) 8.368 14.279 ( -2.206 -7.699 -4.682) 9.277 14.279 ( -2.206 7.699 -4.682) 9.277 14.650 ( -1.276 -1.716 -4.410) 4.901 14.650 ( -1.276 1.716 -4.410) 4.901 14.844 ( 4.654 -4.491 -5.329) 8.380 14.844 ( 4.654 4.491 -5.329) 8.380 15.662 ( 1.279 -3.261 4.876) 6.004 15.662 ( 1.279 3.261 4.876) 6.004 16.264 ( -0.919 -10.647 16.634) 19.771 16.264 ( -0.919 10.647 16.634) 19.771 18.999 ( 4.426 -15.744 9.819) 19.075 18.999 ( 4.426 15.744 9.819) 19.075 19.613 ( -2.247 -1.879 -3.874) 4.857 19.613 ( -2.247 1.879 -3.874) 4.857 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 3.518 -0.980 7.671) 8.496 1.961 ( 3.518 0.980 7.671) 8.496 2.438 ( -1.352 -9.021 5.237) 10.518 2.438 ( -1.352 9.021 5.237) 10.518 2.715 ( 2.672 -5.896 5.100) 8.241 2.715 ( 2.672 5.896 5.100) 8.241 2.879 ( -1.469 -3.560 -7.233) 8.194 2.879 ( -1.469 3.560 -7.233) 8.194 3.558 ( 0.278 -1.206 -10.754) 10.825 3.558 ( 0.278 1.206 -10.754) 10.825 3.830 ( -3.250 -7.309 -3.930) 8.912 3.830 ( -3.250 7.309 -3.930) 8.912 5.250 ( 10.489 -3.317 7.132) 13.110 5.250 ( 10.489 3.317 7.132) 13.110 5.747 ( 7.457 -9.298 5.435) 13.099 5.747 ( 7.457 9.298 5.435) 13.099 6.492 ( 6.612 -10.438 -4.801) 13.256 6.492 ( 6.612 10.438 -4.801) 13.256 6.849 ( 4.465 -10.750 1.203) 11.702 6.849 ( 4.465 10.750 1.203) 11.702 7.766 ( 1.005 -11.276 -1.019) 11.367 7.766 ( 1.005 11.276 -1.019) 11.367 8.162 ( -1.795 -15.586 -3.160) 16.004 8.162 ( -1.795 15.586 -3.160) 16.004 8.521 ( -10.202 -0.643 -1.722) 10.367 8.521 ( -10.202 0.643 -1.722) 10.367 9.191 ( -4.177 -2.692 4.160) 6.481 9.191 ( -4.177 2.692 4.160) 6.481 9.610 ( -4.979 -6.080 -7.588) 10.924 9.610 ( -4.979 6.080 -7.588) 10.924 10.166 ( 10.469 -4.093 -3.780) 11.859 10.166 ( 10.469 4.093 -3.780) 11.859 10.578 ( -0.533 -2.677 6.676) 7.212 10.578 ( -0.533 2.677 6.676) 7.212 11.034 ( 0.842 -5.860 8.636) 10.470 11.034 ( 0.842 5.860 8.636) 10.470 11.814 ( -0.436 -8.239 -4.109) 9.217 11.814 ( -0.436 8.239 -4.109) 9.217 12.143 ( 2.464 -5.632 -1.126) 6.249 12.143 ( 2.464 5.632 -1.126) 6.249 12.717 ( -3.359 -4.026 -7.435) 9.098 12.717 ( -3.359 4.026 -7.435) 9.098 13.026 ( -12.870 -4.523 -8.176) 15.905 13.026 ( -12.870 4.523 -8.176) 15.905 13.822 ( 5.949 -4.899 -1.311) 7.817 13.822 ( 5.949 4.899 -1.311) 7.817 14.229 ( -2.726 -5.321 -3.500) 6.928 14.229 ( -2.726 5.321 -3.500) 6.928 14.646 ( 0.633 -1.688 -5.383) 5.677 14.646 ( 0.633 1.688 -5.383) 5.677 14.900 ( 0.654 -3.450 -5.126) 6.214 14.900 ( 0.654 3.450 -5.126) 6.214 15.711 ( 3.909 -4.032 5.807) 8.078 15.711 ( 3.909 4.032 5.807) 8.078 16.243 ( -1.331 -9.192 14.474) 17.198 16.243 ( -1.331 9.192 14.474) 17.198 19.101 ( 5.557 -15.335 5.073) 17.082 19.101 ( 5.557 15.335 5.073) 17.082 19.553 ( -3.688 -1.163 -6.262) 7.360 19.553 ( -3.688 1.163 -6.262) 7.360 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.989 -7.383 8.142) 12.070 2.046 ( 4.989 7.383 8.142) 12.070 2.361 ( -5.531 -13.327 9.887) 17.492 2.361 ( -5.531 13.327 9.887) 17.492 2.766 ( 2.753 -4.700 -2.786) 6.118 2.766 ( 2.753 4.700 -2.786) 6.118 2.882 ( 0.740 -5.732 -4.429) 7.281 2.882 ( 0.740 5.732 -4.429) 7.281 3.545 ( -0.957 -3.300 -5.302) 6.317 3.545 ( -0.957 3.300 -5.302) 6.317 3.747 ( -5.173 -1.277 -1.979) 5.684 3.747 ( -5.173 1.277 -1.979) 5.684 5.511 ( 15.112 -5.692 2.970) 16.419 5.511 ( 15.112 5.692 2.970) 16.419 5.888 ( 6.126 -7.476 4.932) 10.851 5.888 ( 6.126 7.476 4.932) 10.851 6.626 ( 7.628 -12.101 -2.109) 14.459 6.626 ( 7.628 12.101 -2.109) 14.459 6.977 ( 8.267 -9.374 -11.561) 17.026 6.977 ( 8.267 9.374 -11.561) 17.026 7.736 ( -5.517 -17.980 -1.999) 18.913 7.736 ( -5.517 17.980 -1.999) 18.913 8.007 ( -15.695 -6.230 -17.275) 24.158 8.007 ( -15.695 6.230 -17.275) 24.158 8.420 ( 3.463 -4.946 7.386) 9.540 8.420 ( 3.463 4.946 7.386) 9.540 9.012 ( -11.027 -9.658 2.737) 14.912 9.012 ( -11.027 9.658 2.737) 14.912 9.680 ( 9.072 -8.893 -4.787) 13.576 9.680 ( 9.072 8.893 -4.787) 13.576 10.251 ( -2.959 -6.982 -4.085) 8.613 10.251 ( -2.959 6.982 -4.085) 8.613 10.642 ( 7.344 -10.928 8.982) 15.938 10.642 ( 7.344 10.928 8.982) 15.938 11.004 ( -3.683 -6.038 11.125) 13.183 11.004 ( -3.683 6.038 11.125) 13.183 11.855 ( 5.143 -6.431 -2.237) 8.533 11.855 ( 5.143 6.431 -2.237) 8.533 12.188 ( 1.654 -5.834 -0.094) 6.065 12.188 ( 1.654 5.834 -0.094) 6.065 12.637 ( -4.898 -4.833 -5.874) 9.047 12.637 ( -4.898 4.833 -5.874) 9.047 12.783 ( -11.194 -3.012 -6.792) 13.436 12.783 ( -11.194 3.012 -6.792) 13.436 13.935 ( 5.521 -3.144 -2.301) 6.757 13.935 ( 5.521 3.144 -2.301) 6.757 14.176 ( -2.846 -3.354 -2.765) 5.196 14.176 ( -2.846 3.354 -2.765) 5.196 14.670 ( 1.846 -1.513 -5.705) 6.184 14.670 ( 1.846 1.513 -5.705) 6.184 14.872 ( -3.134 -2.020 -4.496) 5.841 14.872 ( -3.134 2.020 -4.496) 5.841 15.817 ( 6.838 -4.245 6.298) 10.220 15.817 ( 6.838 4.245 6.298) 10.220 16.201 ( -3.366 -7.824 11.814) 14.564 16.201 ( -3.366 7.824 11.814) 14.564 19.205 ( 4.998 -12.278 -0.603) 13.270 19.205 ( 4.998 12.278 -0.603) 13.270 19.474 ( -4.308 -0.771 -8.167) 9.265 19.474 ( -4.308 0.771 -8.167) 9.265 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 5.251 -13.444 8.644) 16.823 2.148 ( 5.251 13.444 8.644) 16.823 2.251 ( -5.464 -15.505 9.602) 19.038 2.251 ( -5.464 15.505 9.602) 19.038 2.824 ( 3.141 -2.930 -3.891) 5.796 2.824 ( 3.141 2.930 -3.891) 5.796 2.876 ( -1.714 -3.163 -4.131) 5.478 2.876 ( -1.714 3.163 -4.131) 5.478 3.555 ( 2.497 -4.488 -1.181) 5.270 3.555 ( 2.497 4.488 -1.181) 5.270 3.638 ( -5.538 -3.630 -0.588) 6.648 3.638 ( -5.538 3.630 -0.588) 6.648 5.784 ( 11.680 -8.943 3.106) 15.035 5.784 ( 11.680 8.943 3.106) 15.035 5.931 ( -2.765 -7.194 5.579) 9.515 5.931 ( -2.765 7.194 5.579) 9.515 6.840 ( 14.701 -10.259 -8.903) 20.015 6.840 ( 14.701 10.259 -8.903) 20.015 7.075 ( -3.213 -7.045 -13.259) 15.354 7.075 ( -3.213 7.045 -13.259) 15.354 7.588 ( -4.138 -8.059 -8.305) 12.290 7.588 ( -4.138 8.059 -8.305) 12.290 7.700 ( -12.587 -3.155 -19.893) 23.751 7.700 ( -12.587 3.155 -19.893) 23.751 8.586 ( 11.061 -9.051 8.037) 16.397 8.586 ( 11.061 9.051 8.037) 16.397 8.802 ( -10.808 -10.889 5.783) 16.396 8.802 ( -10.808 10.889 5.783) 16.396 9.890 ( 11.692 -10.909 -3.364) 16.341 9.890 ( 11.692 10.909 -3.364) 16.341 10.110 ( -10.177 -11.088 -3.308) 15.410 10.110 ( -10.177 11.088 -3.308) 15.410 10.792 ( 7.008 -11.619 9.853) 16.769 10.792 ( 7.008 11.619 9.853) 16.769 10.911 ( -5.440 -8.659 11.402) 15.317 10.911 ( -5.440 8.659 11.402) 15.317 12.004 ( 9.356 -3.979 -0.887) 10.206 12.004 ( 9.356 3.979 -0.887) 10.206 12.164 ( -5.287 -0.892 0.101) 5.363 12.164 ( -5.287 0.892 0.101) 5.363 12.560 ( -1.021 -4.777 -5.292) 7.202 12.560 ( -1.021 4.777 -5.292) 7.202 12.616 ( -5.932 -5.112 -5.153) 9.374 12.616 ( -5.932 5.112 -5.153) 9.374 14.034 ( 4.630 -1.692 -2.747) 5.643 14.034 ( 4.630 1.692 -2.747) 5.643 14.114 ( -3.585 -1.769 -2.700) 4.824 14.114 ( -3.585 1.769 -2.700) 4.824 14.720 ( 3.357 -1.198 -5.083) 6.208 14.720 ( 3.357 1.198 -5.083) 6.208 14.796 ( -4.240 -1.116 -4.419) 6.225 14.796 ( -4.240 1.116 -4.419) 6.225 15.964 ( 7.852 -3.925 7.287) 11.409 15.964 ( 7.852 3.925 7.287) 11.409 16.106 ( -6.326 -5.668 9.270) 12.573 16.106 ( -6.326 5.668 9.270) 12.573 19.298 ( 4.660 -7.899 -5.440) 10.663 19.298 ( 4.660 7.899 -5.440) 10.663 19.388 ( -4.551 -3.861 -8.080) 10.045 19.388 ( -4.551 3.861 -8.080) 10.045 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 0.000 13.153) 13.153 1.864 ( 0.000 0.000 22.292) 22.292 2.159 ( 0.000 0.000 -13.177) 13.177 2.613 ( 0.000 0.000 -8.847) 8.847 2.632 ( 0.000 0.000 -2.200) 2.200 2.827 ( 0.000 0.000 -9.344) 9.344 2.889 ( 0.000 0.000 -3.361) 3.361 3.063 ( 0.000 0.000 -10.706) 10.706 3.131 ( 0.000 0.000 8.003) 8.003 3.477 ( 0.000 0.000 3.881) 3.881 3.642 ( 0.000 0.000 24.696) 24.696 4.116 ( 0.000 0.000 12.661) 12.661 4.503 ( 0.000 0.000 -6.081) 6.081 5.130 ( 0.000 0.000 -11.498) 11.498 5.663 ( 0.000 0.000 18.238) 18.238 5.774 ( 0.000 0.000 -7.398) 7.398 6.239 ( 0.000 0.000 -23.333) 23.333 6.274 ( 0.000 0.000 14.912) 14.912 6.586 ( 0.000 0.000 21.403) 21.403 6.781 ( 0.000 0.000 2.185) 2.185 7.445 ( 0.000 0.000 -24.549) 24.549 7.629 ( 0.000 0.000 16.668) 16.668 8.329 ( 0.000 0.000 -5.456) 5.456 8.526 ( 0.000 0.000 -5.498) 5.498 8.722 ( 0.000 0.000 26.752) 26.752 8.729 ( 0.000 0.000 -9.199) 9.199 8.744 ( 0.000 0.000 8.233) 8.233 8.998 ( 0.000 0.000 -14.264) 14.264 9.845 ( 0.000 0.000 -12.542) 12.542 10.052 ( 0.000 0.000 2.203) 2.203 10.096 ( 0.000 0.000 -11.812) 11.812 10.176 ( 0.000 0.000 -10.035) 10.035 10.514 ( 0.000 0.000 7.981) 7.981 10.821 ( 0.000 0.000 10.310) 10.310 10.832 ( 0.000 0.000 5.924) 5.924 11.222 ( 0.000 0.000 -2.862) 2.862 11.286 ( 0.000 0.000 -2.167) 2.167 11.674 ( 0.000 0.000 -16.163) 16.163 11.817 ( 0.000 0.000 15.812) 15.812 12.245 ( 0.000 0.000 -3.024) 3.024 12.798 ( 0.000 0.000 -0.117) 0.117 12.862 ( 0.000 0.000 -13.237) 13.237 13.052 ( 0.000 0.000 -14.972) 14.972 13.237 ( 0.000 0.000 7.874) 7.874 13.474 ( 0.000 0.000 -8.399) 8.399 13.708 ( 0.000 0.000 -4.987) 4.987 14.003 ( 0.000 0.000 1.148) 1.148 14.409 ( 0.000 0.000 -2.023) 2.023 14.414 ( 0.000 0.000 -11.190) 11.190 14.446 ( 0.000 0.000 6.085) 6.085 14.669 ( 0.000 0.000 -4.562) 4.562 14.728 ( 0.000 0.000 -2.772) 2.772 15.818 ( 0.000 0.000 7.724) 7.724 15.983 ( 0.000 0.000 0.761) 0.761 16.211 ( 0.000 0.000 20.244) 20.244 16.921 ( 0.000 0.000 1.396) 1.396 18.839 ( 0.000 0.000 20.174) 20.174 19.613 ( 0.000 0.000 1.277) 1.277 19.689 ( 0.000 0.000 -6.110) 6.110 19.955 ( 0.000 0.000 -7.304) 7.304 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.639 0.000 8.401) 8.425 1.973 ( 9.785 0.000 18.201) 20.665 2.095 ( -6.333 0.000 -13.050) 14.505 2.597 ( -1.423 0.000 -7.494) 7.628 2.645 ( 1.231 0.000 -0.712) 1.422 2.835 ( -0.356 0.000 -8.831) 8.838 2.909 ( 1.997 0.000 -2.210) 2.979 3.042 ( 0.075 0.000 -2.616) 2.617 3.217 ( 6.529 0.000 0.504) 6.548 3.448 ( -2.156 0.000 0.566) 2.229 3.719 ( 8.400 0.000 24.854) 26.235 4.192 ( 7.529 0.000 12.219) 14.352 4.449 ( -5.124 0.000 -4.922) 7.105 5.160 ( 2.643 0.000 -9.905) 10.251 5.632 ( -1.965 0.000 16.715) 16.830 5.832 ( 4.901 0.000 -0.853) 4.975 6.271 ( 2.100 0.000 -15.367) 15.510 6.306 ( 2.532 0.000 12.523) 12.776 6.584 ( 2.688 0.000 7.016) 7.513 6.767 ( -1.100 0.000 1.725) 2.046 7.464 ( 1.545 0.000 -22.436) 22.489 7.680 ( 2.940 0.000 15.824) 16.095 8.265 ( -22.724 0.000 12.070) 25.731 8.302 ( -2.484 0.000 -8.740) 9.086 8.564 ( 1.232 0.000 -4.180) 4.358 8.696 ( -1.602 0.000 -9.515) 9.649 8.923 ( -6.796 0.000 -9.814) 11.937 9.035 ( -4.808 0.000 3.627) 6.023 9.599 ( -1.579 0.000 -0.486) 1.653 9.939 ( -6.254 0.000 3.488) 7.161 10.073 ( -4.707 0.000 -6.338) 7.894 10.444 ( 14.780 0.000 -6.747) 16.247 10.562 ( 0.140 0.000 3.198) 3.201 10.585 ( -7.558 0.000 1.684) 7.743 11.102 ( 12.103 0.000 11.021) 16.369 11.179 ( -0.234 0.000 2.037) 2.051 11.423 ( 9.418 0.000 -2.884) 9.850 11.604 ( -4.578 0.000 -10.597) 11.544 11.838 ( 2.445 0.000 13.182) 13.407 12.269 ( 2.061 0.000 -3.233) 3.834 12.792 ( -6.188 0.000 -9.744) 11.542 12.814 ( 1.085 0.000 -1.492) 1.845 13.018 ( -2.692 0.000 -16.031) 16.255 13.303 ( 5.577 0.000 4.097) 6.920 13.424 ( -5.208 0.000 -9.327) 10.682 13.709 ( 0.027 0.000 -4.889) 4.889 14.011 ( 0.865 0.000 1.119) 1.414 14.336 ( -4.712 0.000 -4.383) 6.435 14.372 ( -1.834 0.000 0.638) 1.942 14.520 ( 4.260 0.000 -0.644) 4.309 14.716 ( 3.299 0.000 -5.206) 6.163 14.726 ( -0.248 0.000 -2.619) 2.631 15.855 ( 2.922 0.000 5.689) 6.396 15.936 ( -4.312 0.000 2.765) 5.123 16.277 ( 5.701 0.000 17.043) 17.971 16.904 ( -0.904 0.000 2.970) 3.104 18.854 ( 1.509 0.000 18.539) 18.600 19.556 ( -5.552 0.000 0.277) 5.559 19.650 ( -3.914 0.000 -6.323) 7.437 19.938 ( -2.173 0.000 -9.188) 9.441 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -6.160 0.000 -2.967) 6.838 1.929 ( -10.356 0.000 -13.110) 16.707 2.183 ( 10.805 0.000 10.226) 14.877 2.564 ( -1.770 0.000 -5.007) 5.310 2.691 ( 4.066 0.000 4.563) 6.112 2.797 ( -2.767 0.000 -4.615) 5.381 2.961 ( 3.119 0.000 -0.066) 3.119 3.052 ( -0.601 0.000 0.009) 0.602 3.326 ( 3.317 0.000 0.361) 3.336 3.448 ( 2.818 0.000 -5.940) 6.574 3.983 ( 18.246 0.000 19.095) 26.411 4.338 ( -4.866 0.000 -0.457) 4.887 4.388 ( 11.878 0.000 10.839) 16.080 5.203 ( 0.954 0.000 -4.970) 5.061 5.645 ( 4.606 0.000 11.395) 12.291 5.901 ( 1.269 0.000 13.460) 13.520 6.337 ( 6.835 0.000 -9.427) 11.644 6.347 ( 1.719 0.000 5.495) 5.757 6.746 ( -1.230 0.000 2.177) 2.501 6.760 ( 14.534 0.000 -12.831) 19.387 7.479 ( -1.348 0.000 -17.369) 17.421 7.635 ( -9.131 0.000 8.320) 12.353 7.874 ( -16.829 0.000 3.982) 17.294 8.206 ( -9.970 0.000 -10.721) 14.641 8.477 ( -9.032 0.000 -6.013) 10.851 8.581 ( -29.874 0.000 -17.969) 34.862 8.675 ( -1.105 0.000 -6.431) 6.525 8.888 ( 6.299 0.000 0.362) 6.309 9.869 ( 18.742 0.000 15.802) 24.515 9.891 ( -1.691 0.000 4.919) 5.202 9.922 ( -6.155 0.000 -1.918) 6.447 10.435 ( -13.692 0.000 0.894) 13.721 10.514 ( -0.694 0.000 -5.361) 5.405 10.640 ( 5.082 0.000 -4.451) 6.756 11.254 ( 8.343 0.000 6.711) 10.708 11.290 ( 8.267 0.000 8.453) 11.824 11.588 ( 6.813 0.000 4.304) 8.058 11.592 ( 3.111 0.000 -1.399) 3.411 11.922 ( 5.946 0.000 6.210) 8.597 12.307 ( 1.581 0.000 -2.617) 3.058 12.650 ( -8.086 0.000 -5.859) 9.985 12.814 ( -1.707 0.000 -1.786) 2.471 12.981 ( -0.629 0.000 -17.031) 17.043 13.282 ( -8.535 0.000 -10.131) 13.247 13.416 ( 5.475 0.000 -0.540) 5.502 13.708 ( -0.115 0.000 -5.110) 5.111 14.039 ( 1.968 0.000 0.967) 2.192 14.245 ( -4.499 0.000 -3.675) 5.810 14.380 ( 2.736 0.000 2.284) 3.564 14.597 ( 3.552 0.000 -0.643) 3.610 14.720 ( -0.334 0.000 -1.949) 1.977 14.767 ( 1.791 0.000 -3.930) 4.319 15.820 ( -6.189 0.000 2.763) 6.778 15.901 ( 0.189 0.000 0.312) 0.365 16.403 ( 7.071 0.000 16.115) 17.598 16.915 ( 1.981 0.000 6.016) 6.334 18.899 ( 3.105 0.000 13.968) 14.309 19.419 ( -7.677 0.000 -2.932) 8.217 19.543 ( -6.866 0.000 -6.637) 9.549 19.852 ( -6.953 0.000 -12.490) 14.295 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -10.045 0.000 -11.056) 14.938 1.693 ( -13.452 0.000 -14.603) 19.855 2.378 ( 8.891 0.000 1.548) 9.025 2.541 ( -0.275 0.000 -4.654) 4.662 2.750 ( -1.745 0.000 0.699) 1.880 2.808 ( 7.356 0.000 7.600) 10.577 2.995 ( -5.099 0.000 3.423) 6.142 3.014 ( 1.877 0.000 2.035) 2.768 3.363 ( 1.321 0.000 -2.649) 2.960 3.489 ( -0.235 0.000 -8.789) 8.792 4.316 ( 3.942 0.000 7.007) 8.040 4.356 ( 16.367 0.000 15.381) 22.460 4.626 ( 12.088 0.000 8.838) 14.974 5.173 ( -4.241 0.000 -0.084) 4.242 5.837 ( 15.168 0.000 5.735) 16.216 5.940 ( 5.614 0.000 9.033) 10.635 6.394 ( 3.688 0.000 -2.350) 4.374 6.536 ( 11.701 0.000 -3.641) 12.254 6.700 ( -3.963 0.000 2.046) 4.460 7.088 ( 15.687 0.000 -17.971) 23.854 7.289 ( -20.437 0.000 -7.698) 21.839 7.369 ( -13.446 0.000 -2.302) 13.641 7.677 ( -2.318 0.000 -8.132) 8.456 7.860 ( -23.195 0.000 -9.430) 25.038 8.079 ( -19.324 0.000 -20.375) 28.082 8.250 ( -13.981 0.000 -7.051) 15.658 8.771 ( 9.941 0.000 3.173) 10.436 9.059 ( 9.135 0.000 1.137) 9.205 9.717 ( -9.203 0.000 7.709) 12.005 9.970 ( -2.598 0.000 -2.237) 3.428 10.141 ( -7.614 0.000 0.016) 7.614 10.197 ( 14.454 0.000 12.465) 19.087 10.501 ( -1.943 0.000 -9.015) 9.222 10.662 ( -1.992 0.000 -1.745) 2.648 11.450 ( 8.013 0.000 5.673) 9.818 11.478 ( 13.128 0.000 8.865) 15.841 11.657 ( 2.319 0.000 2.846) 3.671 11.694 ( 4.402 0.000 9.642) 10.600 12.040 ( 5.519 0.000 3.384) 6.473 12.338 ( 2.231 0.000 -1.680) 2.793 12.482 ( -9.136 0.000 -2.531) 9.480 12.732 ( -6.861 0.000 -1.687) 7.065 12.991 ( 1.340 0.000 -13.193) 13.261 13.137 ( -5.432 0.000 -10.424) 11.754 13.508 ( 4.095 0.000 -4.470) 6.062 13.699 ( -1.144 0.000 -6.488) 6.588 14.081 ( 2.113 0.000 0.568) 2.188 14.169 ( -3.048 0.000 -2.435) 3.901 14.463 ( 5.306 0.000 2.043) 5.686 14.654 ( 2.301 0.000 0.194) 2.309 14.714 ( -0.231 0.000 -0.609) 0.652 14.775 ( -1.472 0.000 -1.223) 1.913 15.719 ( -3.022 0.000 -1.809) 3.522 15.870 ( -3.097 0.000 -3.610) 4.757 16.555 ( 8.543 0.000 17.199) 19.204 16.945 ( -0.065 0.000 10.355) 10.355 18.976 ( 4.862 0.000 7.554) 8.983 19.298 ( -3.701 0.000 -8.254) 9.046 19.393 ( -8.241 0.000 -6.147) 10.281 19.674 ( -10.863 0.000 -14.901) 18.441 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -2.571 0.000 -14.909) 15.129 1.455 ( -9.265 0.000 -15.808) 18.323 2.510 ( 4.265 0.000 -7.379) 8.523 2.549 ( 0.128 0.000 -8.649) 8.650 2.753 ( 3.137 0.000 8.697) 9.245 2.868 ( -7.277 0.000 7.051) 10.133 2.944 ( 5.863 0.000 6.435) 8.705 3.019 ( -1.697 0.000 4.205) 4.534 3.394 ( 2.131 0.000 -5.451) 5.852 3.447 ( -3.072 0.000 -7.948) 8.521 4.445 ( 7.757 0.000 13.629) 15.682 4.534 ( 0.917 0.000 16.134) 16.160 4.851 ( 10.866 0.000 6.310) 12.565 5.044 ( -8.676 0.000 3.369) 9.307 6.197 ( 20.440 0.000 -3.292) 20.703 6.220 ( 23.200 0.000 2.599) 23.345 6.501 ( 7.399 0.000 -7.181) 10.311 6.581 ( -9.097 0.000 2.174) 9.353 6.599 ( -13.296 0.000 -1.021) 13.335 6.795 ( -25.904 0.000 -8.479) 27.256 7.100 ( 5.661 0.000 -12.644) 13.853 7.407 ( -21.281 0.000 -6.956) 22.389 7.553 ( 20.092 0.000 -10.051) 22.466 7.706 ( 4.020 0.000 -12.644) 13.268 7.824 ( -8.468 0.000 -16.504) 18.550 7.935 ( -18.268 0.000 -9.612) 20.642 9.001 ( 12.343 0.000 6.292) 13.854 9.166 ( -1.247 0.000 3.688) 3.893 9.592 ( -0.808 0.000 7.605) 7.648 9.727 ( -12.692 0.000 3.376) 13.133 10.250 ( 9.528 0.000 -7.860) 12.352 10.416 ( -6.798 0.000 -10.045) 12.129 10.431 ( 9.718 0.000 6.744) 11.828 10.583 ( -5.966 0.000 1.878) 6.255 11.587 ( 5.735 0.000 4.834) 7.501 11.663 ( -1.843 0.000 4.169) 4.558 11.699 ( 7.823 0.000 9.721) 12.478 11.755 ( 1.225 0.000 10.507) 10.578 12.144 ( 6.072 0.000 3.313) 6.917 12.298 ( -9.318 0.000 0.944) 9.366 12.416 ( 5.984 0.000 -1.003) 6.068 12.567 ( -9.031 0.000 -1.145) 9.103 13.026 ( 2.044 0.000 -10.059) 10.265 13.067 ( -2.386 0.000 -10.136) 10.413 13.584 ( 3.874 0.000 -7.318) 8.280 13.656 ( -3.205 0.000 -8.005) 8.623 14.113 ( 1.089 0.000 -0.008) 1.089 14.131 ( -1.084 0.000 -0.811) 1.353 14.578 ( 6.430 0.000 1.906) 6.706 14.689 ( 1.331 0.000 0.923) 1.619 14.702 ( -5.673 0.000 1.223) 5.804 14.707 ( -0.607 0.000 0.688) 0.917 15.719 ( 2.668 0.000 -6.136) 6.691 15.794 ( -4.347 0.000 -6.485) 7.808 16.730 ( 9.120 0.000 17.572) 19.798 16.886 ( -6.076 0.000 15.209) 16.378 19.088 ( 6.657 0.000 1.066) 6.742 19.233 ( -8.009 0.000 -3.749) 8.843 19.304 ( 4.508 0.000 -13.433) 14.169 19.458 ( -10.417 0.000 -15.609) 18.766 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 9.763 10.861) 14.605 1.915 ( 0.000 4.554 17.244) 17.835 2.199 ( 0.000 3.444 -7.785) 8.513 2.556 ( 0.000 -6.197 0.258) 6.202 2.592 ( 0.000 -0.921 -5.648) 5.723 2.829 ( 0.000 -0.010 -10.398) 10.398 2.905 ( 0.000 0.702 -1.013) 1.232 3.117 ( 0.000 4.629 -8.274) 9.481 3.128 ( 0.000 0.060 -0.194) 0.203 3.421 ( 0.000 -5.356 -2.691) 5.994 3.552 ( 0.000 -6.920 20.968) 22.080 4.336 ( 0.000 18.973 11.216) 22.040 4.351 ( 0.000 -12.133 -7.190) 14.104 5.312 ( 0.000 13.475 -13.418) 19.016 5.616 ( 0.000 -2.694 15.171) 15.408 5.797 ( 0.000 1.963 0.292) 1.985 6.075 ( 0.000 -7.197 -4.531) 8.505 6.418 ( 0.000 3.692 5.763) 6.844 6.607 ( 0.000 4.697 19.826) 20.374 7.006 ( 0.000 19.586 1.958) 19.684 7.476 ( 0.000 2.399 -22.859) 22.985 7.599 ( 0.000 -2.721 17.149) 17.364 8.322 ( 0.000 -3.543 -2.238) 4.191 8.550 ( 0.000 2.109 -6.621) 6.949 8.559 ( 0.000 -8.615 14.702) 17.040 8.687 ( 0.000 -3.916 -8.667) 9.510 8.873 ( 0.000 10.333 7.003) 12.483 9.090 ( 0.000 4.741 -9.151) 10.306 9.815 ( 0.000 -13.563 -0.982) 13.598 9.852 ( 0.000 -0.117 -10.912) 10.913 10.124 ( 0.000 2.634 -9.259) 9.626 10.310 ( 0.000 4.868 -6.931) 8.470 10.488 ( 0.000 -2.076 8.566) 8.814 10.768 ( 0.000 -5.650 6.446) 8.572 10.789 ( 0.000 -1.808 8.001) 8.202 11.270 ( 0.000 1.374 -2.311) 2.688 11.363 ( 0.000 6.647 -2.433) 7.078 11.669 ( 0.000 1.853 -17.400) 17.499 11.884 ( 0.000 5.612 14.381) 15.437 12.178 ( 0.000 -6.148 -2.661) 6.699 12.772 ( 0.000 -2.146 0.368) 2.178 12.819 ( 0.000 -3.502 -9.971) 10.568 13.011 ( 0.000 -2.189 -14.160) 14.329 13.342 ( 0.000 8.033 5.327) 9.639 13.442 ( 0.000 -3.187 -9.347) 9.875 13.760 ( 0.000 3.286 -6.286) 7.093 13.986 ( 0.000 -0.109 4.148) 4.149 14.410 ( 0.000 -0.837 -10.115) 10.150 14.449 ( 0.000 4.008 -0.602) 4.053 14.497 ( 0.000 3.768 2.058) 4.294 14.631 ( 0.000 -2.143 -3.035) 3.715 14.755 ( 0.000 1.374 -4.123) 4.346 15.789 ( 0.000 -2.462 6.807) 7.239 15.931 ( 0.000 -4.648 1.060) 4.768 16.263 ( 0.000 4.800 19.211) 19.802 16.879 ( 0.000 -3.950 3.219) 5.096 18.870 ( 0.000 2.953 18.369) 18.605 19.595 ( 0.000 -1.551 0.242) 1.570 19.662 ( 0.000 -2.381 -5.971) 6.428 19.801 ( 0.000 -13.231 -3.314) 13.640 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 1.730 10.265 7.510) 12.836 1.999 ( 6.069 3.023 9.660) 11.802 2.175 ( -1.090 6.201 -4.892) 7.973 2.560 ( 0.399 -6.132 -0.059) 6.145 2.581 ( -1.147 -0.862 -2.135) 2.573 2.842 ( 0.856 -0.902 -8.926) 9.013 2.890 ( -1.085 -0.791 -0.514) 1.438 3.084 ( -0.931 2.494 -3.297) 4.238 3.226 ( 6.512 1.591 -3.779) 7.696 3.400 ( -1.218 -4.536 -3.478) 5.844 3.628 ( 8.068 -6.854 18.615) 21.415 4.294 ( -4.702 -10.615 -5.170) 12.709 4.423 ( 7.842 17.971 10.148) 22.078 5.351 ( 3.710 14.287 -11.976) 19.008 5.604 ( -1.244 -1.699 18.558) 18.677 5.826 ( 3.278 0.142 0.379) 3.303 6.090 ( 1.190 -7.479 -0.643) 7.600 6.497 ( 7.887 4.380 0.867) 9.063 6.573 ( -2.199 4.288 12.495) 13.392 6.987 ( -1.727 18.499 0.779) 18.596 7.458 ( -2.322 -2.551 -12.389) 12.860 7.632 ( 1.516 -0.674 8.104) 8.272 8.273 ( -3.693 -3.970 2.229) 5.862 8.379 ( -13.034 5.456 0.669) 14.145 8.579 ( -1.100 1.275 -4.584) 4.883 8.657 ( -1.723 -3.714 -8.833) 9.736 8.796 ( -3.730 -1.493 -4.406) 5.963 9.204 ( -7.774 8.340 -4.164) 12.138 9.624 ( 1.367 1.841 -3.723) 4.373 9.837 ( -2.818 -8.455 4.526) 9.995 10.058 ( -6.940 -0.469 -4.907) 8.512 10.345 ( 4.369 -7.134 -0.706) 8.395 10.567 ( -4.658 -0.757 2.039) 5.141 10.691 ( 8.109 8.537 -0.995) 11.816 10.997 ( 9.458 -7.466 11.259) 16.490 11.268 ( 1.912 3.829 1.237) 4.455 11.449 ( 5.482 1.355 -2.759) 6.285 11.612 ( -2.749 3.956 -12.379) 13.283 11.910 ( 2.404 5.481 12.227) 13.613 12.206 ( 2.548 -5.547 -2.852) 6.737 12.738 ( -4.439 -3.639 -6.048) 8.338 12.796 ( -0.834 -2.336 -3.246) 4.085 12.968 ( -3.842 -3.395 -14.963) 15.817 13.376 ( -4.930 -2.189 -8.670) 10.211 13.403 ( 3.744 5.569 2.016) 7.007 13.755 ( -0.414 3.137 -6.062) 6.838 14.000 ( 1.382 0.240 3.394) 3.672 14.340 ( -4.812 -0.097 -5.320) 7.174 14.427 ( -1.188 4.550 -0.365) 4.717 14.552 ( 3.878 2.750 -0.468) 4.777 14.659 ( 1.586 -2.394 -3.236) 4.326 14.777 ( 1.953 2.134 -4.597) 5.432 15.825 ( 2.790 -2.700 5.558) 6.779 15.907 ( -2.431 -2.856 1.837) 4.176 16.301 ( 3.662 2.719 17.315) 17.906 16.858 ( -1.447 -4.280 4.334) 6.261 18.883 ( 1.407 2.875 16.826) 17.128 19.540 ( -5.320 -1.364 -0.658) 5.531 19.624 ( -3.855 -2.320 -6.249) 7.700 19.794 ( -1.243 -12.521 -5.488) 13.727 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -5.221 12.156 -1.582) 13.324 2.005 ( -5.081 6.279 -6.641) 10.457 2.260 ( 8.361 6.419 3.379) 11.069 2.551 ( -1.012 -0.118 -3.411) 3.560 2.593 ( 3.232 -7.126 8.437) 11.507 2.827 ( -2.004 1.232 -5.451) 5.937 2.896 ( 1.562 -5.515 1.360) 5.891 3.073 ( -0.657 0.694 -0.839) 1.272 3.315 ( 1.800 -0.577 -2.364) 3.027 3.433 ( 4.666 -0.977 -5.895) 7.582 3.860 ( 14.894 -9.096 12.862) 21.679 4.183 ( -5.680 -11.805 -2.285) 13.298 4.634 ( 13.135 19.907 10.155) 25.922 5.429 ( 3.257 17.502 -5.587) 18.658 5.614 ( 4.082 -2.683 12.808) 13.708 5.883 ( 1.245 -0.909 12.721) 12.814 6.144 ( 5.568 -7.097 -2.646) 9.400 6.543 ( 0.010 8.312 2.272) 8.617 6.733 ( 15.280 -1.208 -9.400) 17.981 6.950 ( -1.955 15.445 -0.664) 15.582 7.344 ( -9.807 -10.009 1.698) 14.115 7.612 ( -3.694 2.877 -8.450) 9.660 8.101 ( -14.793 10.885 -9.089) 20.492 8.224 ( -3.858 -0.130 0.414) 3.882 8.396 ( -18.970 -2.910 -9.221) 21.292 8.598 ( -8.228 -0.604 -6.344) 10.407 8.691 ( -8.138 3.075 -8.712) 12.312 8.966 ( 1.970 6.902 -0.618) 7.204 9.808 ( -0.681 -7.182 4.476) 8.490 9.864 ( 1.608 -2.656 -4.843) 5.753 9.949 ( 10.293 3.260 13.194) 17.049 10.345 ( -6.697 -6.308 -0.621) 9.221 10.519 ( -1.071 2.247 -2.153) 3.291 10.777 ( 1.081 9.299 -1.895) 9.551 11.152 ( 7.947 -7.078 11.040) 15.334 11.366 ( 7.551 2.741 4.529) 9.222 11.499 ( 2.436 -3.345 0.170) 4.142 11.680 ( 6.952 5.892 -2.319) 9.403 11.968 ( 3.316 2.991 8.358) 9.476 12.260 ( 2.565 -3.707 -2.873) 5.346 12.618 ( -7.427 -2.495 -6.007) 9.873 12.778 ( -1.778 -3.196 -1.806) 4.079 12.898 ( -2.558 -6.746 -15.733) 17.308 13.214 ( -9.771 -5.867 -9.816) 15.042 13.510 ( 5.513 7.255 -0.550) 9.128 13.749 ( -0.116 3.193 -5.843) 6.660 14.037 ( 2.219 0.375 1.658) 2.795 14.248 ( -4.494 0.023 -3.944) 5.980 14.435 ( 2.102 4.367 1.048) 4.959 14.620 ( 2.795 1.478 -0.777) 3.256 14.682 ( 1.100 -1.224 -2.332) 2.854 14.811 ( 1.054 2.451 -3.774) 4.622 15.812 ( -4.187 -0.708 3.440) 5.465 15.894 ( 1.114 -0.657 0.489) 1.383 16.388 ( 5.056 -0.916 15.902) 16.712 16.849 ( 0.664 -5.960 6.468) 8.820 18.924 ( 2.797 2.521 12.493) 13.048 19.409 ( -7.374 -0.877 -3.537) 8.225 19.519 ( -6.710 -2.162 -6.704) 9.728 19.733 ( -5.307 -10.400 -9.537) 15.076 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -8.198 14.887 -5.840) 17.970 1.844 ( -10.539 12.096 -8.875) 18.335 2.418 ( 7.087 3.438 -3.088) 8.461 2.546 ( 0.552 1.251 -4.324) 4.535 2.682 ( 4.302 -5.644 8.540) 11.104 2.815 ( 2.060 -0.053 1.738) 2.696 2.915 ( -0.216 -5.664 3.240) 6.529 3.049 ( -1.664 0.555 1.867) 2.562 3.339 ( 1.307 -1.258 -3.246) 3.719 3.491 ( -0.153 0.425 -7.289) 7.303 4.115 ( 3.705 -14.829 8.018) 17.260 4.150 ( 8.755 -13.648 7.543) 17.883 4.905 ( 14.057 20.440 8.572) 26.246 5.449 ( -1.653 20.736 0.175) 20.802 5.800 ( 14.824 -3.178 4.968) 15.954 5.916 ( 4.614 -1.487 9.798) 10.931 6.289 ( 7.849 -4.903 -0.628) 9.276 6.573 ( 2.905 4.699 -4.514) 7.134 6.905 ( -2.733 11.914 -1.963) 12.380 7.040 ( 6.143 -4.975 -15.664) 17.545 7.135 ( -3.116 -6.780 2.330) 7.817 7.431 ( -14.956 1.586 -18.956) 24.197 7.830 ( -28.909 -2.712 -12.147) 31.474 7.885 ( -6.371 15.278 -7.885) 18.335 8.110 ( -9.307 1.486 -6.314) 11.344 8.368 ( -12.695 11.811 -6.189) 18.412 8.757 ( 10.003 -1.352 4.732) 11.148 9.100 ( 7.691 3.837 0.086) 8.595 9.672 ( -7.626 -4.106 6.949) 11.104 9.940 ( 2.207 -3.182 -2.533) 4.627 10.119 ( -9.699 -1.451 0.553) 9.822 10.239 ( 12.411 2.061 5.908) 13.899 10.499 ( -1.055 2.331 -2.697) 3.718 10.765 ( -2.401 8.232 -0.539) 8.592 11.332 ( 9.737 -7.838 8.450) 15.088 11.510 ( 5.208 -5.135 5.467) 9.131 11.595 ( 7.998 1.950 5.646) 9.983 11.798 ( 4.574 7.254 4.208) 9.552 12.031 ( 3.132 -1.256 4.926) 5.971 12.307 ( 2.706 -2.325 -2.815) 4.544 12.454 ( -9.265 -2.018 -3.453) 10.092 12.701 ( -6.595 -2.946 -2.291) 7.578 12.877 ( 0.386 -9.598 -12.230) 15.552 13.046 ( -6.424 -7.728 -9.817) 14.049 13.604 ( 4.070 7.548 -4.219) 9.557 13.748 ( -0.299 4.020 -6.555) 7.696 14.079 ( 1.901 -0.143 0.288) 1.928 14.170 ( -3.320 -0.105 -2.829) 4.363 14.500 ( 4.370 3.056 1.431) 5.521 14.661 ( 1.698 -0.253 -0.321) 1.746 14.703 ( 0.731 0.622 -0.661) 1.166 14.804 ( -2.088 1.856 -1.341) 3.099 15.748 ( -1.434 2.698 -0.302) 3.070 15.888 ( -1.802 1.796 -2.416) 3.508 16.502 ( 6.748 -4.644 16.329) 18.269 16.856 ( -0.925 -8.048 9.833) 12.740 18.993 ( 4.266 1.688 6.416) 7.888 19.290 ( -3.843 -0.673 -8.179) 9.062 19.374 ( -7.876 -1.712 -6.436) 10.314 19.590 ( -8.958 -7.379 -12.696) 17.201 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -1.990 17.312 -7.655) 19.033 1.655 ( -7.281 16.087 -8.661) 19.668 2.519 ( 3.330 1.130 -8.294) 9.008 2.556 ( -0.412 1.023 -8.445) 8.516 2.750 ( 4.176 -1.021 8.069) 9.143 2.841 ( -3.559 -2.987 5.745) 7.389 2.932 ( 4.489 -1.742 6.002) 7.695 3.009 ( -2.758 -1.144 4.412) 5.327 3.375 ( 2.587 -0.902 -4.655) 5.402 3.440 ( -3.783 -0.026 -6.609) 7.615 4.197 ( 5.266 -17.328 10.931) 21.154 4.260 ( 0.365 -17.601 12.030) 21.322 5.159 ( 11.645 21.095 6.553) 24.971 5.353 ( -7.930 22.181 3.749) 23.852 6.105 ( 14.152 -4.514 1.410) 14.922 6.157 ( 16.918 -7.603 -0.931) 18.572 6.401 ( 3.585 -0.635 1.057) 3.792 6.594 ( -4.311 2.629 -3.704) 6.262 6.804 ( -12.304 2.375 -12.769) 17.891 6.817 ( -10.494 7.723 -9.282) 15.997 7.083 ( 0.293 -1.062 -14.557) 14.598 7.316 ( -20.427 -4.950 -8.907) 22.827 7.526 ( 18.011 -2.893 -9.501) 20.567 7.827 ( -9.238 -0.819 -11.146) 14.500 7.968 ( 1.013 17.259 -4.638) 17.900 8.119 ( -11.660 18.617 -7.194) 23.115 8.991 ( 12.506 -1.134 7.377) 14.564 9.170 ( -3.183 0.191 3.827) 4.981 9.592 ( 1.796 0.349 6.144) 6.410 9.750 ( -12.597 2.433 2.244) 13.025 10.193 ( 8.998 -4.948 -5.587) 11.690 10.337 ( -3.914 -5.025 -7.424) 9.782 10.546 ( 7.122 8.387 5.206) 12.172 10.683 ( -5.916 8.341 2.071) 10.434 11.490 ( 5.840 -8.209 6.425) 11.949 11.552 ( -0.550 -8.429 5.832) 10.265 11.768 ( 7.632 4.724 8.708) 12.505 11.845 ( -0.266 7.175 7.539) 10.411 12.109 ( 5.760 -2.695 2.161) 6.717 12.266 ( -9.614 -2.235 -0.763) 9.900 12.386 ( 5.883 -2.714 -2.073) 6.802 12.537 ( -9.067 -2.958 -2.081) 9.762 12.907 ( 2.326 -10.109 -9.490) 14.059 12.960 ( -3.164 -9.160 -9.530) 13.592 13.673 ( 3.213 7.208 -6.985) 10.539 13.726 ( -2.017 5.787 -7.704) 9.844 14.106 ( 0.918 -0.752 -0.490) 1.284 14.125 ( -1.363 -0.678 -1.277) 1.987 14.600 ( 5.628 1.781 1.524) 6.096 14.693 ( 0.377 -0.091 0.468) 0.607 14.695 ( -1.198 0.702 0.730) 1.569 14.736 ( -3.623 1.641 0.701) 4.038 15.766 ( 2.849 4.434 -4.067) 6.657 15.833 ( -3.527 3.860 -4.599) 6.964 16.648 ( 7.978 -7.453 16.308) 19.625 16.790 ( -5.852 -8.691 13.992) 17.480 19.092 ( 5.913 0.433 0.215) 5.933 19.222 ( -7.408 -0.824 -4.338) 8.624 19.285 ( 3.446 -1.717 -12.455) 13.037 19.410 ( -8.671 -4.207 -13.964) 16.967 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 4.262 9.736) 10.628 2.036 ( 0.000 5.511 10.862) 12.180 2.286 ( 0.000 4.180 0.658) 4.231 2.425 ( 0.000 -5.116 2.285) 5.603 2.632 ( 0.000 5.600 2.350) 6.073 2.832 ( 0.000 0.363 -9.334) 9.341 2.906 ( 0.000 0.074 -0.301) 0.310 3.135 ( 0.000 0.287 -13.619) 13.622 3.152 ( 0.000 -5.855 5.188) 7.822 3.254 ( 0.000 -7.982 -10.167) 12.926 3.504 ( 0.000 5.816 -1.165) 5.932 4.054 ( 0.000 -15.118 -8.495) 17.341 4.800 ( 0.000 22.001 6.475) 22.934 5.406 ( 0.000 -6.136 -3.263) 6.950 5.753 ( 0.000 14.260 -5.692) 15.354 5.858 ( 0.000 5.017 16.694) 17.431 5.960 ( 0.000 -3.940 -3.628) 5.357 6.365 ( 0.000 -7.430 17.607) 19.110 6.845 ( 0.000 16.043 18.129) 24.208 7.398 ( 0.000 2.093 12.536) 12.710 7.544 ( 0.000 4.665 -14.651) 15.376 7.631 ( 0.000 18.434 6.746) 19.630 8.059 ( 0.000 -17.418 6.631) 18.638 8.510 ( 0.000 -10.384 -7.502) 12.811 8.544 ( 0.000 4.043 -1.216) 4.222 8.633 ( 0.000 1.571 -7.098) 7.270 9.072 ( 0.000 5.959 3.156) 6.743 9.143 ( 0.000 0.317 -10.748) 10.753 9.600 ( 0.000 -4.233 -2.416) 4.874 9.801 ( 0.000 -5.114 -5.731) 7.681 10.194 ( 0.000 3.356 -4.094) 5.294 10.341 ( 0.000 -1.730 -4.790) 5.093 10.459 ( 0.000 0.418 8.241) 8.252 10.628 ( 0.000 -6.499 6.800) 9.406 10.805 ( 0.000 4.073 1.892) 4.491 11.173 ( 0.000 -9.359 -3.544) 10.007 11.541 ( 0.000 9.875 -2.531) 10.194 11.814 ( 0.000 9.811 -13.924) 17.033 12.001 ( 0.000 -10.072 -2.499) 10.378 12.001 ( 0.000 3.824 7.827) 8.711 12.725 ( 0.000 -1.905 -0.291) 1.927 12.743 ( 0.000 -3.075 -4.044) 5.081 13.004 ( 0.000 2.382 -13.259) 13.472 13.320 ( 0.000 -8.306 -10.230) 13.177 13.527 ( 0.000 8.754 3.387) 9.387 13.776 ( 0.000 -2.059 -2.554) 3.281 14.062 ( 0.000 6.839 2.309) 7.218 14.354 ( 0.000 -4.696 -6.198) 7.777 14.555 ( 0.000 4.287 -4.041) 5.891 14.583 ( 0.000 5.139 1.369) 5.318 14.607 ( 0.000 -0.214 -3.328) 3.335 14.764 ( 0.000 -0.911 -4.066) 4.166 15.733 ( 0.000 -2.241 4.616) 5.131 15.812 ( 0.000 -5.796 1.756) 6.057 16.404 ( 0.000 8.160 16.421) 18.337 16.760 ( 0.000 -7.107 7.574) 10.386 18.971 ( 0.000 6.872 14.110) 15.695 19.472 ( 0.000 -16.049 3.805) 16.493 19.562 ( 0.000 -1.132 -2.139) 2.420 19.604 ( 0.000 -2.844 -5.729) 6.396 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 2.231 3.850 10.266) 11.189 2.095 ( 4.086 3.850 6.901) 8.896 2.315 ( 3.271 6.229 -0.479) 7.052 2.434 ( 0.824 -4.121 2.137) 4.715 2.637 ( -0.097 6.499 1.454) 6.660 2.792 ( -2.692 -1.847 -1.612) 3.641 2.889 ( -2.169 -0.239 -4.621) 5.110 3.078 ( -3.213 -4.076 -5.326) 7.437 3.255 ( 7.087 -1.577 -4.044) 8.311 3.267 ( 2.142 -6.127 -7.670) 10.048 3.556 ( 5.149 3.224 -1.260) 6.204 4.018 ( -3.640 -13.854 -7.576) 16.204 4.880 ( 8.052 21.469 6.757) 23.904 5.441 ( 3.390 -5.747 -0.085) 6.673 5.786 ( 1.154 17.321 11.806) 20.994 5.852 ( 1.895 2.273 -1.080) 3.150 5.975 ( 1.488 -3.710 0.563) 4.037 6.407 ( 4.648 -8.535 7.856) 12.496 6.839 ( -0.373 15.678 16.344) 22.651 7.347 ( -7.996 -6.900 8.842) 13.774 7.417 ( -5.377 17.713 -5.996) 19.458 7.734 ( 4.324 11.671 -2.543) 12.704 8.053 ( 0.353 -14.850 4.754) 15.597 8.412 ( -8.924 -5.342 -8.896) 13.686 8.555 ( -0.147 -1.339 -2.598) 2.926 8.621 ( -2.671 1.679 -2.611) 4.095 8.923 ( -3.365 9.345 -7.643) 12.533 9.281 ( -1.712 -3.139 -6.337) 7.276 9.669 ( -0.976 2.504 -6.089) 6.655 9.728 ( 2.641 1.561 3.486) 4.643 10.000 ( -13.382 -5.516 -1.574) 14.560 10.174 ( -1.095 -8.819 -0.089) 8.887 10.591 ( 2.451 3.333 4.286) 5.957 10.826 ( 9.326 -7.425 10.495) 15.882 10.869 ( 8.920 7.676 -0.881) 11.801 11.207 ( 3.443 -7.722 -0.662) 8.481 11.554 ( 0.915 8.463 -2.465) 8.862 11.797 ( -0.498 11.442 -11.305) 16.092 11.957 ( -0.987 -5.224 3.091) 6.149 12.098 ( 5.837 -1.890 1.063) 6.227 12.673 ( -4.431 -2.030 -2.810) 5.625 12.724 ( -1.994 -3.868 -3.750) 5.744 12.934 ( -6.628 1.395 -12.246) 13.994 13.241 ( -7.728 -8.793 -9.542) 15.103 13.573 ( 4.212 8.083 1.821) 9.295 13.784 ( 0.805 -0.959 -3.635) 3.845 14.067 ( 0.378 5.780 1.834) 6.076 14.308 ( -3.761 -3.289 -4.897) 6.996 14.527 ( -1.211 4.066 -2.062) 4.717 14.595 ( 0.896 0.095 -1.008) 1.352 14.663 ( 3.873 3.855 -2.742) 6.114 14.802 ( 2.965 -0.137 -4.590) 5.466 15.761 ( 2.516 -2.563 4.716) 5.928 15.821 ( 0.990 -4.640 1.978) 5.140 16.402 ( -0.177 6.615 15.569) 16.917 16.732 ( -2.391 -7.274 7.759) 10.901 18.983 ( 1.149 6.773 12.625) 14.373 19.470 ( -1.196 -13.691 1.486) 13.823 19.522 ( -3.312 -2.744 -2.848) 5.159 19.565 ( -3.824 -2.840 -5.988) 7.652 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -1.171 5.344 6.311) 8.352 2.171 ( 2.782 6.562 3.364) 7.881 2.411 ( 6.030 7.240 -4.399) 10.399 2.448 ( 0.771 -3.959 5.863) 7.116 2.615 ( -1.152 5.413 -0.248) 5.540 2.769 ( 0.106 -4.151 5.085) 6.565 2.825 ( -3.466 -2.362 -5.352) 6.799 3.027 ( -1.919 -5.466 -3.688) 6.867 3.309 ( 2.531 0.237 -7.506) 7.925 3.415 ( 7.471 -1.585 -2.317) 7.982 3.694 ( 8.468 -4.289 -0.444) 9.502 3.923 ( -5.696 -11.536 -4.841) 13.746 5.097 ( 13.303 20.401 6.747) 25.273 5.530 ( 5.950 -4.384 7.444) 10.490 5.787 ( 0.929 10.707 12.344) 16.368 5.927 ( 2.982 7.061 5.861) 9.649 6.060 ( 8.664 0.137 -6.498) 10.831 6.549 ( 8.867 -7.555 -6.153) 13.174 6.838 ( 0.783 9.312 8.960) 12.946 7.136 ( -11.330 -6.022 2.629) 13.097 7.318 ( -5.934 15.065 -4.068) 16.695 7.723 ( -6.770 6.614 -12.721) 15.856 8.058 ( -2.425 -10.112 -6.105) 12.058 8.187 ( -14.175 -4.776 -12.255) 19.338 8.475 ( -9.335 6.163 4.863) 12.197 8.583 ( 2.236 0.208 4.997) 5.478 8.860 ( -8.515 12.643 -11.981) 19.388 9.129 ( -1.826 6.851 -1.266) 7.202 9.636 ( 2.052 -7.725 2.400) 8.346 9.742 ( -8.511 -8.836 -2.401) 12.501 10.011 ( 15.187 2.765 1.965) 15.561 10.215 ( 0.233 -5.840 -1.982) 6.172 10.613 ( 0.582 5.907 5.171) 7.872 10.892 ( 1.814 -4.321 5.393) 7.145 11.060 ( 6.961 4.126 7.908) 11.315 11.290 ( 4.013 -5.871 3.570) 7.957 11.581 ( 3.165 7.802 -0.073) 8.420 11.842 ( 5.002 9.471 -7.030) 12.812 11.950 ( 0.240 -6.077 4.329) 7.465 12.210 ( 5.057 -1.580 -0.524) 5.324 12.568 ( -6.249 -1.548 -5.161) 8.252 12.683 ( -2.221 -5.388 -5.918) 8.306 12.781 ( -8.141 -1.891 -10.309) 13.271 13.046 ( -11.342 -9.499 -8.528) 17.076 13.671 ( 5.417 7.121 -0.810) 8.984 13.806 ( 1.471 1.345 -5.050) 5.429 14.074 ( 0.361 3.256 0.543) 3.320 14.231 ( -4.014 -2.020 -3.997) 6.014 14.526 ( 1.061 3.624 -0.538) 3.814 14.611 ( 0.984 -1.333 -1.337) 2.129 14.729 ( 2.488 4.399 -2.375) 5.584 14.845 ( 0.971 0.421 -3.976) 4.114 15.798 ( 1.056 -0.210 4.794) 4.913 15.868 ( 3.898 -2.011 2.052) 4.842 16.396 ( -0.411 2.464 13.918) 14.141 16.685 ( -2.272 -8.906 7.815) 12.064 19.013 ( 1.837 6.060 8.581) 10.664 19.383 ( -6.340 -2.653 -3.882) 7.894 19.461 ( -5.931 -4.187 -6.994) 10.081 19.478 ( -2.950 -9.747 -4.007) 10.944 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -2.554 11.564 4.694) 12.739 2.142 ( -5.313 15.087 -0.616) 16.007 2.499 ( 4.220 -7.257 8.605) 12.022 2.525 ( 5.040 4.976 -6.909) 9.894 2.625 ( 1.903 3.015 -1.451) 3.850 2.747 ( -2.043 -6.840 3.114) 7.788 2.816 ( 2.258 -2.515 0.400) 3.403 2.996 ( -1.541 -5.749 -1.371) 6.107 3.353 ( 2.069 3.058 -3.762) 5.271 3.511 ( 1.559 1.145 -3.478) 3.980 3.828 ( -2.630 -12.383 0.205) 12.661 3.845 ( 5.695 -12.050 2.632) 13.586 5.356 ( 12.713 18.611 6.182) 23.371 5.706 ( 12.091 -3.901 8.354) 15.205 5.849 ( 5.816 10.177 1.851) 11.867 5.969 ( 1.238 9.210 9.293) 13.142 6.273 ( 11.891 4.463 -3.443) 13.159 6.653 ( 1.094 1.716 -6.075) 6.407 6.908 ( -1.674 -5.968 -9.934) 11.709 6.965 ( 1.175 -9.075 0.457) 9.162 7.196 ( -5.924 14.285 -9.263) 18.026 7.473 ( -15.614 2.293 -23.520) 28.324 7.760 ( -27.436 -3.276 -13.017) 30.544 7.936 ( -9.980 -7.871 -9.926) 16.127 8.367 ( -0.240 17.459 9.289) 19.778 8.688 ( -5.178 17.115 0.295) 17.883 8.717 ( 8.187 -2.170 7.064) 11.029 9.183 ( 2.459 1.749 -0.660) 3.089 9.573 ( -2.035 -3.524 3.621) 5.447 9.813 ( 8.912 -8.794 -2.676) 12.803 10.114 ( -9.527 1.334 -0.786) 9.652 10.229 ( 5.240 -2.378 -4.676) 7.415 10.638 ( 3.464 9.168 8.660) 13.078 10.929 ( 0.823 3.504 2.476) 4.368 11.169 ( 5.354 -4.488 10.666) 12.750 11.338 ( 1.111 -7.917 5.942) 9.961 11.703 ( 8.736 6.395 3.633) 11.420 11.960 ( 6.440 7.004 -3.829) 10.256 11.973 ( 2.148 -3.886 5.669) 7.201 12.274 ( 1.166 -1.406 -1.381) 2.290 12.431 ( -7.653 0.982 -5.355) 9.392 12.608 ( -6.341 -5.818 -6.672) 10.889 12.657 ( -3.624 -8.297 -9.075) 12.819 12.842 ( -8.390 -10.879 -8.065) 15.930 13.770 ( 4.541 7.149 -3.447) 9.144 13.838 ( 1.707 3.794 -5.778) 7.120 14.079 ( 0.027 0.289 -0.964) 1.007 14.154 ( -3.714 -1.582 -3.599) 5.408 14.567 ( 3.041 2.792 0.445) 4.152 14.640 ( 2.049 -1.174 -0.668) 2.454 14.751 ( -0.238 3.086 -1.288) 3.352 14.830 ( -2.484 0.314 -1.922) 3.156 15.832 ( 2.962 5.164 3.316) 6.814 15.944 ( 3.194 2.801 1.342) 4.455 16.392 ( 0.461 -4.225 13.124) 13.795 16.635 ( -3.336 -11.868 8.584) 15.023 19.054 ( 2.504 4.314 3.166) 5.908 19.273 ( -4.217 -1.165 -7.500) 8.683 19.330 ( -6.818 -2.099 -7.281) 10.193 19.402 ( -4.969 -9.027 -7.780) 12.912 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.307 17.152 3.288) 17.467 2.033 ( -4.601 18.467 1.486) 19.089 2.568 ( 2.343 -1.675 -1.460) 3.229 2.585 ( 0.847 1.528 -6.889) 7.107 2.673 ( 2.640 -2.304 2.546) 4.331 2.714 ( -1.591 -7.724 5.563) 9.651 2.881 ( 4.096 -3.232 1.804) 5.520 2.955 ( -2.988 -4.821 0.801) 5.728 3.401 ( 3.121 4.028 -2.334) 5.605 3.475 ( -4.008 3.835 -3.377) 6.494 3.840 ( 2.955 -15.370 5.289) 16.521 3.890 ( -0.955 -16.064 5.733) 17.083 5.599 ( 12.347 17.683 5.132) 22.169 5.806 ( -6.917 17.244 4.989) 19.238 6.002 ( 10.977 -5.068 0.633) 12.107 6.070 ( 7.134 0.355 5.674) 9.122 6.476 ( 8.069 7.763 -2.670) 11.511 6.626 ( -6.379 1.361 -9.065) 11.168 6.809 ( 1.066 -1.541 -12.845) 12.981 6.939 ( -9.172 -1.202 -19.278) 21.382 7.107 ( -2.126 6.629 -13.306) 15.017 7.267 ( -18.946 1.188 -9.279) 21.129 7.418 ( 11.532 -7.004 -10.735) 17.242 7.695 ( -14.282 -10.022 -9.526) 19.878 8.427 ( 5.394 21.624 5.064) 22.855 8.552 ( -7.012 20.364 1.111) 21.567 8.942 ( 11.857 -3.947 9.789) 15.874 9.137 ( -7.144 -4.745 5.610) 10.248 9.641 ( 8.239 5.328 0.925) 9.856 9.843 ( -10.518 6.239 -1.165) 12.285 10.050 ( 8.215 -8.354 -3.547) 12.242 10.207 ( -6.038 -7.307 -6.445) 11.462 10.760 ( 7.602 11.151 8.017) 15.697 10.888 ( -4.851 9.965 4.893) 12.115 11.273 ( 4.660 -11.494 8.825) 15.222 11.335 ( -1.627 -11.123 7.615) 13.578 11.887 ( 9.032 6.216 5.029) 12.063 12.000 ( -1.384 4.863 6.252) 8.041 12.085 ( 6.654 2.744 -2.370) 7.578 12.226 ( -7.007 -2.713 -1.179) 7.606 12.337 ( 1.201 0.622 -5.586) 5.747 12.447 ( -8.587 -4.792 -4.819) 10.951 12.651 ( 2.397 -12.764 -8.965) 15.781 12.724 ( -4.658 -12.316 -8.225) 15.525 13.841 ( 2.562 7.779 -5.715) 9.987 13.863 ( 0.379 6.396 -6.311) 8.993 14.076 ( -0.005 -2.115 -1.916) 2.854 14.095 ( -2.117 -2.360 -2.652) 4.134 14.641 ( 4.389 1.928 0.783) 4.857 14.691 ( 3.031 -0.293 0.000) 3.045 14.720 ( -2.915 1.561 0.006) 3.307 14.761 ( -4.011 0.451 -0.153) 4.039 15.908 ( 4.199 8.904 1.121) 9.909 15.967 ( -1.177 8.798 0.348) 8.883 16.437 ( 4.402 -11.705 12.691) 17.817 16.545 ( -5.747 -13.646 10.747) 18.296 19.115 ( 3.822 1.933 -2.147) 4.792 19.207 ( -5.624 -0.411 -5.890) 8.154 19.240 ( 0.948 -2.341 -10.088) 10.399 19.301 ( -4.786 -5.467 -10.149) 12.482 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 -0.961 10.745) 10.787 2.077 ( 0.000 0.961 10.745) 10.787 2.353 ( 0.000 -2.362 2.344) 3.328 2.353 ( 0.000 2.362 2.344) 3.328 2.795 ( 0.000 -6.354 -0.500) 6.374 2.795 ( 0.000 6.354 -0.500) 6.374 2.957 ( 0.000 -6.550 6.052) 8.918 2.957 ( 0.000 6.550 6.052) 8.918 3.151 ( 0.000 -2.215 -20.205) 20.326 3.151 ( 0.000 2.215 -20.205) 20.326 3.739 ( 0.000 -14.110 -8.145) 16.292 3.739 ( 0.000 14.110 -8.145) 16.292 5.189 ( 0.000 -14.223 2.669) 14.472 5.189 ( 0.000 14.223 2.669) 14.472 5.891 ( 0.000 -3.078 -7.596) 8.196 5.891 ( 0.000 3.078 -7.596) 8.196 6.128 ( 0.000 -14.466 19.072) 23.937 6.128 ( 0.000 14.466 19.072) 23.937 7.203 ( 0.000 -15.313 21.966) 26.777 7.203 ( 0.000 15.313 21.966) 26.777 7.715 ( 0.000 -12.378 -3.596) 12.890 7.715 ( 0.000 12.378 -3.596) 12.890 8.155 ( 0.000 -22.731 -2.524) 22.871 8.155 ( 0.000 22.731 -2.524) 22.871 8.629 ( 0.000 -2.784 -4.434) 5.236 8.629 ( 0.000 2.784 -4.434) 5.236 9.125 ( 0.000 -1.238 -7.731) 7.829 9.125 ( 0.000 1.238 -7.731) 7.829 9.658 ( 0.000 -7.082 -1.729) 7.290 9.658 ( 0.000 7.082 -1.729) 7.290 10.268 ( 0.000 -4.009 -1.740) 4.370 10.268 ( 0.000 4.009 -1.740) 4.370 10.515 ( 0.000 -4.266 6.099) 7.444 10.515 ( 0.000 4.266 6.099) 7.444 10.956 ( 0.000 -9.666 -2.488) 9.981 10.956 ( 0.000 9.666 -2.488) 9.981 11.767 ( 0.000 -11.128 -2.111) 11.327 11.767 ( 0.000 11.128 -2.111) 11.327 11.992 ( 0.000 -5.018 -4.899) 7.013 11.992 ( 0.000 5.018 -4.899) 7.013 12.705 ( 0.000 -0.339 -0.903) 0.965 12.705 ( 0.000 0.339 -0.903) 0.965 13.127 ( 0.000 -8.651 -10.722) 13.777 13.127 ( 0.000 8.651 -10.722) 13.777 13.688 ( 0.000 -6.067 1.139) 6.173 13.688 ( 0.000 6.067 1.139) 6.173 14.222 ( 0.000 -7.391 -1.979) 7.652 14.222 ( 0.000 7.391 -1.979) 7.652 14.601 ( 0.000 -0.813 -3.776) 3.863 14.601 ( 0.000 0.813 -3.776) 3.863 14.704 ( 0.000 -4.808 -2.077) 5.238 14.704 ( 0.000 4.808 -2.077) 5.238 15.724 ( 0.000 -1.893 2.740) 3.331 15.724 ( 0.000 1.893 2.740) 3.331 16.588 ( 0.000 -8.807 12.387) 15.199 16.588 ( 0.000 8.807 12.387) 15.199 19.169 ( 0.000 -11.993 9.243) 15.141 19.169 ( 0.000 11.993 9.243) 15.141 19.560 ( 0.000 -1.055 -4.405) 4.530 19.560 ( 0.000 1.055 -4.405) 4.530 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 2.236 -2.235 11.092) 11.533 2.099 ( 2.236 2.235 11.092) 11.533 2.393 ( 3.728 -1.256 1.548) 4.228 2.393 ( 3.728 1.256 1.548) 4.228 2.782 ( -1.796 -2.738 -4.979) 5.959 2.782 ( -1.796 2.738 -4.979) 5.959 2.915 ( -3.500 -6.979 5.098) 9.324 2.915 ( -3.500 6.979 5.098) 9.324 3.210 ( 5.807 -1.057 -14.100) 15.285 3.210 ( 5.807 1.057 -14.100) 15.285 3.739 ( -0.156 -11.969 -7.501) 14.126 3.739 ( -0.156 11.969 -7.501) 14.126 5.247 ( 5.841 -12.869 4.076) 14.708 5.247 ( 5.841 12.869 4.076) 14.708 5.906 ( 0.887 -2.875 2.550) 3.944 5.906 ( 0.887 2.875 2.550) 3.944 6.151 ( 3.614 -15.360 6.119) 16.924 6.151 ( 3.614 15.360 6.119) 16.924 7.154 ( -5.267 -12.299 18.017) 22.441 7.154 ( -5.267 12.299 18.017) 22.441 7.707 ( -0.863 -13.678 -4.214) 14.338 7.707 ( -0.863 13.678 -4.214) 14.338 8.130 ( -2.719 -18.399 -4.286) 19.086 8.130 ( -2.719 18.399 -4.286) 19.086 8.609 ( -2.096 -2.922 -1.597) 3.935 8.609 ( -2.096 2.922 -1.597) 3.935 9.122 ( 0.770 -9.382 -9.375) 13.286 9.122 ( 0.770 9.382 -9.375) 13.286 9.755 ( 1.564 -4.259 0.548) 4.570 9.755 ( 1.564 4.259 0.548) 4.570 9.979 ( -10.694 -7.617 -2.289) 13.327 9.979 ( -10.694 7.617 -2.289) 13.327 10.689 ( 6.162 -5.461 7.725) 11.290 10.689 ( 6.162 5.461 7.725) 11.290 11.033 ( 7.808 -7.986 -0.561) 11.183 11.033 ( 7.808 7.986 -0.561) 11.183 11.762 ( -0.353 -10.562 -1.587) 10.686 11.762 ( -0.353 10.562 -1.587) 10.686 12.018 ( 2.321 -7.816 -5.400) 9.779 12.018 ( 2.321 7.816 -5.400) 9.779 12.664 ( -3.636 -1.315 -1.905) 4.311 12.664 ( -3.636 1.315 -1.905) 4.311 13.045 ( -7.867 -8.463 -9.667) 15.065 13.045 ( -7.867 8.463 -9.667) 15.065 13.717 ( 2.752 -5.199 -0.231) 5.887 13.717 ( 2.752 5.199 -0.231) 5.887 14.203 ( -1.762 -6.269 -2.082) 6.837 14.203 ( -1.762 6.269 -2.082) 6.837 14.582 ( -0.837 -1.291 -2.362) 2.818 14.582 ( -0.837 1.291 -2.362) 2.818 14.759 ( 3.961 -3.902 -3.344) 6.488 14.759 ( 3.961 3.902 -3.344) 6.488 15.747 ( 2.394 -1.613 3.319) 4.399 15.747 ( 2.394 1.613 3.319) 4.399 16.564 ( -2.315 -8.263 11.891) 14.664 16.564 ( -2.315 8.263 11.891) 14.664 19.179 ( 0.735 -11.814 7.487) 14.006 19.179 ( 0.735 11.814 7.487) 14.006 19.520 ( -3.951 -1.218 -4.928) 6.433 19.520 ( -3.951 1.218 -4.928) 6.433 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 3.479 -4.700 10.973) 12.434 2.157 ( 3.479 4.700 10.973) 12.434 2.475 ( 3.827 -2.933 1.209) 4.971 2.475 ( 3.827 2.933 1.209) 4.971 2.716 ( -4.141 -6.299 -6.274) 9.808 2.716 ( -4.141 6.299 -6.274) 9.808 2.858 ( -1.948 -9.277 1.325) 9.571 2.858 ( -1.948 9.277 1.325) 9.571 3.347 ( 7.149 -3.436 -6.736) 10.406 3.347 ( 7.149 3.436 -6.736) 10.406 3.728 ( -1.058 -6.387 -5.779) 8.678 3.728 ( -1.058 6.387 -5.779) 8.678 5.403 ( 9.539 -8.786 6.978) 14.727 5.403 ( 9.539 8.786 6.978) 14.727 5.925 ( 2.158 -4.979 10.988) 12.255 5.925 ( 2.158 4.979 10.988) 12.255 6.298 ( 10.971 -15.199 -8.831) 20.721 6.298 ( 10.971 15.199 -8.831) 20.721 7.004 ( -9.356 -6.393 9.588) 14.844 7.004 ( -9.356 6.393 9.588) 14.844 7.654 ( -5.745 -14.723 -11.842) 19.749 7.654 ( -5.745 14.723 -11.842) 19.749 8.025 ( -9.317 -8.329 -7.657) 14.657 8.025 ( -9.317 8.329 -7.657) 14.657 8.567 ( -0.764 -2.509 6.191) 6.724 8.567 ( -0.764 2.509 6.191) 6.724 9.136 ( -1.395 -9.064 -7.404) 11.786 9.136 ( -1.395 9.064 -7.404) 11.786 9.568 ( -6.276 -3.935 1.945) 7.659 9.568 ( -6.276 3.935 1.945) 7.659 10.095 ( 9.311 -5.254 -3.212) 11.163 10.095 ( 9.311 5.254 -3.212) 11.163 10.744 ( 1.941 -6.707 8.565) 11.050 10.744 ( 1.941 6.707 8.565) 11.050 11.182 ( 5.353 -5.000 5.415) 9.110 11.182 ( 5.353 5.000 5.415) 9.110 11.768 ( 1.607 -9.510 -0.069) 9.645 11.768 ( 1.607 9.510 -0.069) 9.645 12.072 ( 3.241 -10.855 -5.582) 12.629 12.072 ( 3.241 10.855 -5.582) 12.629 12.590 ( -3.614 -3.254 -4.086) 6.352 12.590 ( -3.614 3.254 -4.086) 6.352 12.849 ( -11.488 -7.741 -8.265) 16.131 12.849 ( -11.488 7.741 -8.265) 16.131 13.786 ( 4.064 -3.362 -2.312) 5.758 13.786 ( 4.064 3.362 -2.312) 5.758 14.160 ( -2.486 -4.272 -2.484) 5.532 14.160 ( -2.486 4.272 -2.484) 5.532 14.582 ( 0.754 -1.743 -1.217) 2.256 14.582 ( 0.754 1.743 -1.217) 2.256 14.817 ( 1.439 -3.145 -3.434) 4.873 14.817 ( 1.439 3.145 -3.434) 4.873 15.818 ( 4.968 -2.095 4.549) 7.055 15.818 ( 4.968 2.095 4.549) 7.055 16.504 ( -3.775 -7.430 10.341) 13.281 16.504 ( -3.775 7.430 10.341) 13.281 19.187 ( -0.031 -10.415 3.201) 10.895 19.187 ( -0.031 10.415 3.201) 10.895 19.419 ( -5.944 -1.261 -6.246) 8.714 19.419 ( -5.944 1.261 -6.246) 8.714 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 4.114 -9.289 9.505) 13.913 2.231 ( 4.114 9.289 9.505) 13.913 2.491 ( -2.834 -10.819 3.236) 11.643 2.491 ( -2.834 10.819 3.236) 11.643 2.688 ( 2.056 -6.942 -4.250) 8.396 2.688 ( 2.056 6.942 -4.250) 8.396 2.833 ( -0.954 -8.064 -2.131) 8.395 2.833 ( -0.954 8.064 -2.131) 8.395 3.464 ( 4.886 -6.378 -1.710) 8.214 3.464 ( 4.886 6.378 -1.710) 8.214 3.694 ( -2.533 -2.370 -3.132) 4.673 3.694 ( -2.533 2.370 -3.132) 4.673 5.604 ( 11.280 -6.329 6.489) 14.470 5.604 ( 11.280 6.329 6.489) 14.470 6.016 ( 6.282 -5.680 7.783) 11.502 6.016 ( 6.282 5.680 7.783) 11.502 6.533 ( 11.140 -14.841 -8.388) 20.365 6.533 ( 11.140 14.841 -8.388) 20.365 6.830 ( -6.640 -1.770 -1.524) 7.039 6.830 ( -6.640 1.770 -1.524) 7.039 7.462 ( -13.353 -6.671 -23.265) 27.642 7.462 ( -13.353 6.671 -23.265) 27.642 7.752 ( -16.946 -5.286 -6.144) 18.784 7.752 ( -16.946 5.286 -6.144) 18.784 8.626 ( 6.552 -7.092 11.715) 15.181 8.626 ( 6.552 7.092 11.715) 15.181 9.055 ( -5.487 -14.185 1.107) 15.249 9.055 ( -5.487 14.185 1.107) 15.249 9.617 ( 8.425 -7.614 -2.008) 11.532 9.617 ( 8.425 7.614 -2.008) 11.532 10.167 ( -2.582 -3.137 -4.048) 5.735 10.167 ( -2.582 3.137 -4.048) 5.735 10.830 ( 7.119 -8.578 8.671) 14.123 10.830 ( 7.119 8.578 8.671) 14.123 11.212 ( -2.030 -4.672 8.725) 10.103 11.212 ( -2.030 4.672 8.725) 10.103 11.847 ( 6.622 -6.852 1.458) 9.640 11.847 ( 6.622 6.852 1.458) 9.640 12.142 ( 3.583 -9.675 -4.266) 11.164 12.142 ( 3.583 9.675 -4.266) 11.164 12.513 ( -4.998 -4.421 -5.484) 8.638 12.513 ( -4.998 4.421 -5.484) 8.638 12.628 ( -10.205 -7.179 -7.619) 14.619 12.628 ( -10.205 7.179 -7.619) 14.619 13.869 ( 4.411 -1.627 -3.716) 5.993 13.869 ( 4.411 1.627 -3.716) 5.993 14.106 ( -3.131 -2.389 -3.274) 5.122 14.106 ( -3.131 2.389 -3.274) 5.122 14.613 ( 2.467 -1.592 -0.277) 2.949 14.613 ( 2.467 1.592 -0.277) 2.949 14.811 ( -1.927 -2.124 -2.083) 3.545 14.811 ( -1.927 2.124 -2.083) 3.545 15.941 ( 7.597 -3.828 5.564) 10.165 15.941 ( 7.597 3.828 5.564) 10.165 16.413 ( -5.717 -7.186 8.424) 12.461 16.413 ( -5.717 7.186 8.424) 12.461 19.178 ( -0.657 -7.083 -1.848) 7.350 19.178 ( -0.657 7.083 -1.848) 7.350 19.305 ( -5.404 -0.629 -7.523) 9.284 19.305 ( -5.404 0.629 -7.523) 9.284 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.606 -12.535 7.456) 15.295 2.316 ( 4.606 12.535 7.456) 15.295 2.408 ( -4.776 -13.209 5.422) 15.056 2.408 ( -4.776 13.209 5.422) 15.056 2.752 ( 3.517 -5.967 -2.950) 7.528 2.752 ( 3.517 5.967 -2.950) 7.528 2.807 ( -1.990 -6.761 -2.811) 7.588 2.807 ( -1.990 6.761 -2.811) 7.588 3.548 ( 4.106 -8.036 0.708) 9.052 3.548 ( 4.106 8.036 0.708) 9.052 3.629 ( -3.979 -6.934 -0.210) 7.997 3.629 ( -3.979 6.934 -0.210) 7.997 5.851 ( 13.572 -7.180 3.461) 15.739 5.851 ( 13.572 7.180 3.461) 15.739 6.060 ( -4.924 -3.887 5.983) 8.669 6.060 ( -4.924 3.887 5.983) 8.669 6.660 ( 5.860 -2.288 -8.444) 10.530 6.660 ( 5.860 2.288 -8.444) 10.530 6.797 ( -2.888 -6.205 -12.041) 13.850 6.797 ( -2.888 6.205 -12.041) 13.850 7.261 ( -0.999 -6.167 -18.431) 19.461 7.261 ( -0.999 6.167 -18.431) 19.461 7.437 ( -14.548 -12.728 -7.826) 20.854 7.437 ( -14.548 12.728 -7.826) 20.854 8.783 ( 8.542 -11.172 9.935) 17.218 8.783 ( 8.542 11.172 9.935) 17.218 8.936 ( -6.945 -13.959 6.121) 16.750 8.936 ( -6.945 13.959 6.121) 16.750 9.819 ( 11.375 -10.137 -3.448) 15.622 9.819 ( 11.375 10.137 -3.448) 15.622 10.033 ( -9.865 -8.502 -3.907) 13.596 10.033 ( -9.865 8.502 -3.907) 13.596 10.988 ( 8.156 -8.336 8.674) 14.534 10.988 ( 8.156 8.336 8.674) 14.534 11.128 ( -6.039 -6.287 9.357) 12.789 11.128 ( -6.039 6.287 9.357) 12.789 12.010 ( 9.336 -3.933 1.246) 10.207 12.010 ( 9.336 3.933 1.246) 10.207 12.161 ( -3.903 -1.919 -0.514) 4.380 12.161 ( -3.903 1.919 -0.514) 4.380 12.421 ( -1.225 -4.843 -7.417) 8.943 12.421 ( -1.225 4.843 -7.417) 8.943 12.480 ( -5.507 -8.329 -7.502) 12.489 12.480 ( -5.507 8.329 -7.502) 12.489 13.955 ( 4.376 -0.471 -4.274) 6.135 13.955 ( 4.376 0.471 -4.274) 6.135 14.037 ( -3.949 -0.903 -4.056) 5.733 14.037 ( -3.949 0.903 -4.056) 5.733 14.675 ( 3.819 -1.212 0.141) 4.009 14.675 ( 3.819 1.212 0.141) 4.009 14.752 ( -3.774 -1.198 -0.538) 3.996 14.752 ( -3.774 1.198 -0.538) 3.996 16.106 ( 9.049 -5.403 6.261) 12.259 16.106 ( 9.049 5.403 6.261) 12.259 16.278 ( -8.147 -6.675 7.072) 12.687 16.278 ( -8.147 6.675 7.072) 12.687 19.177 ( 0.840 -3.636 -5.897) 6.979 19.177 ( 0.840 3.636 -5.897) 6.979 19.218 ( -3.391 -1.633 -7.699) 8.570 19.218 ( -3.391 1.633 -7.699) 8.570 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 0.000 2.649) 2.649 1.946 ( 0.000 0.000 -6.754) 6.754 2.249 ( 0.000 0.000 15.665) 15.665 2.555 ( 0.000 0.000 -14.745) 14.745 2.600 ( 0.000 0.000 7.260) 7.260 2.685 ( 0.000 0.000 5.746) 5.746 2.804 ( 0.000 0.000 -5.141) 5.141 2.824 ( 0.000 0.000 -12.305) 12.305 3.299 ( 0.000 0.000 7.718) 7.718 3.430 ( 0.000 0.000 -4.785) 4.785 4.110 ( 0.000 0.000 16.643) 16.643 4.357 ( 0.000 0.000 -8.657) 8.657 4.419 ( 0.000 0.000 16.715) 16.715 4.787 ( 0.000 0.000 -18.501) 18.501 5.677 ( 0.000 0.000 -0.046) 0.046 5.824 ( 0.000 0.000 -14.587) 14.587 6.159 ( 0.000 0.000 25.203) 25.203 6.473 ( 0.000 0.000 0.616) 0.616 6.804 ( 0.000 0.000 0.654) 0.654 6.957 ( 0.000 0.000 -19.337) 19.337 7.210 ( 0.000 0.000 35.965) 35.965 7.828 ( 0.000 0.000 -11.390) 11.390 8.191 ( 0.000 0.000 1.781) 1.781 8.405 ( 0.000 0.000 -9.721) 9.721 8.560 ( 0.000 0.000 -3.265) 3.265 8.651 ( 0.000 0.000 -12.552) 12.552 8.971 ( 0.000 0.000 13.153) 13.153 9.133 ( 0.000 0.000 6.446) 6.446 9.630 ( 0.000 0.000 -0.374) 0.374 9.887 ( 0.000 0.000 -16.952) 16.952 10.017 ( 0.000 0.000 1.456) 1.456 10.060 ( 0.000 0.000 -1.424) 1.424 10.683 ( 0.000 0.000 8.193) 8.193 10.828 ( 0.000 0.000 -5.014) 5.014 11.057 ( 0.000 0.000 12.695) 12.695 11.206 ( 0.000 0.000 0.879) 0.879 11.240 ( 0.000 0.000 -2.140) 2.140 11.345 ( 0.000 0.000 -15.331) 15.331 12.184 ( 0.000 0.000 18.704) 18.704 12.333 ( 0.000 0.000 10.321) 10.321 12.553 ( 0.000 0.000 -16.737) 16.737 12.608 ( 0.000 0.000 -15.046) 15.046 13.027 ( 0.000 0.000 8.910) 8.910 13.255 ( 0.000 0.000 -11.948) 11.948 13.408 ( 0.000 0.000 8.553) 8.553 13.577 ( 0.000 0.000 -7.597) 7.597 14.067 ( 0.000 0.000 5.066) 5.066 14.208 ( 0.000 0.000 -8.601) 8.601 14.440 ( 0.000 0.000 4.316) 4.316 14.554 ( 0.000 0.000 -6.136) 6.136 14.564 ( 0.000 0.000 5.271) 5.271 14.660 ( 0.000 0.000 -3.992) 3.992 15.934 ( 0.000 0.000 3.842) 3.842 15.983 ( 0.000 0.000 -1.052) 1.052 16.592 ( 0.000 0.000 16.136) 16.136 16.849 ( 0.000 0.000 -8.351) 8.351 19.222 ( 0.000 0.000 16.629) 16.629 19.511 ( 0.000 0.000 -11.375) 11.375 19.676 ( 0.000 0.000 4.846) 4.846 19.803 ( 0.000 0.000 -7.159) 7.159 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -5.733 0.000 1.083) 5.834 1.882 ( -6.390 0.000 -6.766) 9.306 2.275 ( 2.143 0.000 11.967) 12.157 2.499 ( -2.434 0.000 -8.041) 8.402 2.706 ( 6.836 0.000 3.014) 7.471 2.722 ( 3.706 0.000 6.178) 7.204 2.839 ( 3.436 0.000 -4.683) 5.809 2.885 ( 5.541 0.000 -10.270) 11.670 3.305 ( 0.858 0.000 5.671) 5.735 3.404 ( -2.310 0.000 -3.636) 4.308 4.131 ( 2.696 0.000 13.847) 14.107 4.332 ( -1.974 0.000 -6.949) 7.224 4.484 ( 6.404 0.000 16.131) 17.355 4.838 ( 4.984 0.000 -17.738) 18.425 5.795 ( 11.566 0.000 0.794) 11.594 5.936 ( 10.945 0.000 -13.020) 17.010 6.093 ( -5.434 0.000 23.425) 24.047 6.434 ( -4.342 0.000 -4.988) 6.613 6.815 ( 2.199 0.000 5.162) 5.611 7.034 ( 5.869 0.000 -16.895) 17.885 7.065 ( -12.815 0.000 32.933) 35.338 7.709 ( -12.380 0.000 -22.399) 25.592 8.241 ( 4.713 0.000 10.701) 11.693 8.496 ( 1.182 0.000 -9.908) 9.978 8.527 ( 0.954 0.000 0.884) 1.301 8.528 ( -28.871 0.000 14.368) 32.249 8.652 ( 2.080 0.000 -12.617) 12.787 8.851 ( -30.084 0.000 -15.850) 34.004 9.843 ( 20.690 0.000 18.419) 27.701 9.983 ( -3.231 0.000 2.877) 4.326 10.034 ( -2.460 0.000 -1.248) 2.758 10.208 ( 18.823 0.000 -15.619) 24.460 10.613 ( -6.634 0.000 1.769) 6.865 10.623 ( -11.799 0.000 1.036) 11.845 11.243 ( 4.880 0.000 4.041) 6.336 11.269 ( 12.421 0.000 6.092) 13.834 11.336 ( 8.907 0.000 -4.801) 10.118 11.406 ( 5.439 0.000 -8.128) 9.780 12.173 ( -0.997 0.000 17.735) 17.763 12.335 ( 0.606 0.000 9.135) 9.155 12.523 ( -2.869 0.000 -15.686) 15.946 12.598 ( -0.545 0.000 -15.274) 15.284 12.981 ( -4.168 0.000 8.079) 9.091 13.197 ( -5.626 0.000 -11.769) 13.045 13.429 ( 1.802 0.000 7.387) 7.604 13.583 ( 0.431 0.000 -7.184) 7.197 14.068 ( 0.184 0.000 4.446) 4.450 14.191 ( -1.693 0.000 -7.296) 7.490 14.445 ( 1.004 0.000 5.877) 5.963 14.581 ( 1.698 0.000 4.225) 4.553 14.585 ( 2.754 0.000 -7.111) 7.626 14.663 ( 0.377 0.000 -3.561) 3.581 15.937 ( -0.275 0.000 2.490) 2.505 15.962 ( -2.670 0.000 0.020) 2.670 16.620 ( 3.089 0.000 15.022) 15.336 16.857 ( 1.375 0.000 -7.398) 7.525 19.206 ( -1.576 0.000 15.351) 15.432 19.475 ( -3.533 0.000 -10.801) 11.364 19.611 ( -6.520 0.000 5.068) 8.258 19.754 ( -5.102 0.000 -8.404) 9.832 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -12.275 0.000 -1.135) 12.327 1.703 ( -11.905 0.000 -7.817) 14.242 2.316 ( 1.977 0.000 5.614) 5.952 2.462 ( -1.726 0.000 -7.333) 7.534 2.823 ( 6.384 0.000 6.626) 9.201 2.823 ( 4.789 0.000 7.606) 8.988 2.928 ( 5.292 0.000 -3.360) 6.269 2.992 ( 4.303 0.000 -6.597) 7.877 3.327 ( 0.500 0.000 0.670) 0.836 3.359 ( -1.883 0.000 -2.529) 3.153 4.251 ( 10.340 0.000 7.164) 12.579 4.327 ( 3.043 0.000 -1.276) 3.300 4.646 ( 9.479 0.000 14.220) 17.090 4.956 ( 6.242 0.000 -15.219) 16.449 6.005 ( -2.337 0.000 19.541) 19.681 6.096 ( 18.108 0.000 4.472) 18.653 6.212 ( 15.671 0.000 -6.336) 16.903 6.334 ( -4.669 0.000 -9.694) 10.759 6.795 ( -12.473 0.000 21.299) 24.682 6.864 ( 1.290 0.000 10.242) 10.323 7.131 ( 2.871 0.000 -15.337) 15.603 7.381 ( -20.391 0.000 -28.555) 35.088 7.992 ( -24.948 0.000 8.139) 26.242 8.215 ( -9.782 0.000 8.336) 12.852 8.228 ( -30.839 0.000 -14.961) 34.277 8.364 ( -10.611 0.000 -5.919) 12.150 8.647 ( 10.126 0.000 4.602) 11.122 8.804 ( 11.167 0.000 -7.930) 13.696 9.928 ( -1.710 0.000 2.608) 3.119 9.962 ( -4.529 0.000 0.444) 4.551 10.205 ( 15.031 0.000 15.588) 21.654 10.433 ( -11.822 0.000 -0.315) 11.826 10.445 ( -7.108 0.000 -1.767) 7.325 10.480 ( 8.985 0.000 -10.818) 14.063 11.408 ( 11.680 0.000 7.898) 14.099 11.442 ( 6.301 0.000 6.015) 8.711 11.540 ( 7.129 0.000 -3.676) 8.020 11.558 ( 12.702 0.000 -5.866) 13.991 12.156 ( -0.356 0.000 14.695) 14.699 12.367 ( 2.544 0.000 8.176) 8.562 12.452 ( -4.177 0.000 -12.881) 13.541 12.612 ( 2.380 0.000 -14.773) 14.964 12.886 ( -5.286 0.000 5.439) 7.585 13.058 ( -7.895 0.000 -10.518) 13.152 13.462 ( 1.265 0.000 4.714) 4.881 13.585 ( -0.463 0.000 -6.573) 6.589 14.077 ( 0.805 0.000 2.770) 2.884 14.152 ( -1.955 0.000 -4.455) 4.865 14.489 ( 3.508 0.000 7.402) 8.191 14.625 ( 2.675 0.000 2.449) 3.626 14.649 ( 3.609 0.000 -7.342) 8.181 14.676 ( 1.053 0.000 -2.330) 2.557 15.864 ( -7.146 0.000 1.946) 7.406 15.896 ( -4.195 0.000 -0.974) 4.306 16.718 ( 6.810 0.000 13.551) 15.166 16.921 ( 5.216 0.000 -5.400) 7.508 19.166 ( -2.347 0.000 11.831) 12.062 19.381 ( -5.839 0.000 -9.154) 10.857 19.438 ( -10.685 0.000 4.894) 11.753 19.606 ( -9.893 0.000 -10.811) 14.654 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -14.088 0.000 -2.950) 14.393 1.433 ( -14.859 0.000 -9.148) 17.449 2.350 ( 1.490 0.000 0.247) 1.511 2.426 ( -1.934 0.000 -6.136) 6.433 2.899 ( 3.261 0.000 9.841) 10.367 2.954 ( 6.567 0.000 5.825) 8.778 3.028 ( 4.462 0.000 -1.234) 4.629 3.033 ( 0.028 0.000 -1.524) 1.524 3.302 ( -2.051 0.000 -2.203) 3.010 3.326 ( -2.310 0.000 -5.572) 6.032 4.466 ( 11.821 0.000 6.764) 13.620 4.537 ( 16.299 0.000 1.570) 16.374 4.823 ( 8.101 0.000 10.453) 13.225 5.045 ( 2.109 0.000 -10.216) 10.431 6.044 ( 7.109 0.000 12.788) 14.631 6.288 ( -5.183 0.000 23.582) 24.145 6.293 ( 1.187 0.000 -9.464) 9.538 6.531 ( 20.753 0.000 2.502) 20.904 6.768 ( 8.465 0.000 -11.454) 14.243 6.815 ( -6.973 0.000 10.099) 12.272 6.957 ( -18.322 0.000 -28.081) 33.530 7.069 ( -12.077 0.000 -12.951) 17.709 7.611 ( -11.910 0.000 2.156) 12.104 7.752 ( -16.100 0.000 -11.337) 19.691 7.920 ( -18.513 0.000 8.653) 20.435 8.097 ( -16.497 0.000 -8.129) 18.391 8.886 ( 13.186 0.000 7.556) 15.197 9.028 ( 11.086 0.000 -4.768) 12.068 9.857 ( -5.271 0.000 5.081) 7.322 9.925 ( -1.318 0.000 -2.213) 2.576 10.183 ( -11.041 0.000 4.564) 11.947 10.322 ( -6.061 0.000 -8.259) 10.244 10.425 ( 8.071 0.000 9.453) 12.430 10.582 ( 2.302 0.000 -5.843) 6.281 11.560 ( 5.900 0.000 4.964) 7.711 11.648 ( 3.950 0.000 -3.187) 5.075 11.659 ( 12.794 0.000 8.327) 15.266 11.782 ( 9.358 0.000 -2.174) 9.607 12.168 ( 1.614 0.000 9.607) 9.741 12.369 ( -4.247 0.000 -8.395) 9.408 12.425 ( 3.428 0.000 9.584) 10.178 12.684 ( 4.437 0.000 -13.870) 14.562 12.771 ( -6.817 0.000 3.927) 7.867 12.922 ( -5.502 0.000 -9.608) 11.072 13.473 ( 0.060 0.000 1.458) 1.459 13.560 ( -2.126 0.000 -6.303) 6.652 14.097 ( 1.063 0.000 0.988) 1.451 14.124 ( -0.791 0.000 -1.743) 1.914 14.575 ( 5.063 0.000 7.459) 9.015 14.677 ( 2.458 0.000 1.501) 2.881 14.702 ( 1.441 0.000 -0.808) 1.652 14.716 ( 2.821 0.000 -5.188) 5.905 15.713 ( -7.272 0.000 1.791) 7.490 15.784 ( -6.734 0.000 -4.424) 8.057 16.872 ( 8.578 0.000 12.781) 15.393 17.036 ( 5.496 0.000 -2.135) 5.896 19.125 ( -1.586 0.000 6.910) 7.090 19.230 ( -9.526 0.000 2.353) 9.812 19.262 ( -6.001 0.000 -6.539) 8.875 19.387 ( -11.884 0.000 -11.959) 16.860 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -5.868 0.000 -6.014) 8.402 1.184 ( -8.764 0.000 -8.785) 12.409 2.373 ( 0.930 0.000 -3.600) 3.718 2.393 ( -1.293 0.000 -5.220) 5.377 2.957 ( 2.777 0.000 8.924) 9.346 3.007 ( -2.270 0.000 4.807) 5.316 3.058 ( 3.606 0.000 3.892) 5.306 3.084 ( 0.944 0.000 1.377) 1.669 3.273 ( -0.671 0.000 -5.237) 5.280 3.282 ( -1.607 0.000 -6.840) 7.026 4.713 ( 11.118 0.000 10.654) 15.399 4.786 ( 5.697 0.000 5.304) 7.784 4.953 ( 5.392 0.000 4.213) 6.843 5.034 ( -2.747 0.000 -3.241) 4.249 6.205 ( 2.587 0.000 6.208) 6.726 6.281 ( 16.299 0.000 3.715) 16.717 6.387 ( 7.722 0.000 -5.848) 9.686 6.453 ( -20.691 0.000 -14.157) 25.071 6.618 ( -11.325 0.000 3.654) 11.900 6.699 ( -21.230 0.000 -2.854) 21.421 6.951 ( 20.419 0.000 2.352) 20.554 7.131 ( 10.312 0.000 -13.256) 16.794 7.525 ( 0.329 0.000 -3.788) 3.803 7.572 ( -4.586 0.000 -7.847) 9.089 7.584 ( -10.472 0.000 6.467) 12.308 7.746 ( -18.331 0.000 -8.801) 20.334 9.124 ( 9.898 0.000 5.186) 11.175 9.193 ( 3.954 0.000 -1.152) 4.118 9.759 ( -3.323 0.000 6.936) 7.691 9.805 ( -7.757 0.000 2.885) 8.276 10.122 ( 2.986 0.000 -2.617) 3.970 10.210 ( -5.352 0.000 -9.236) 10.675 10.539 ( 4.029 0.000 3.854) 5.575 10.590 ( -1.216 0.000 -1.077) 1.624 11.658 ( 3.725 0.000 2.324) 4.391 11.692 ( 0.340 0.000 -0.782) 0.853 11.858 ( 6.627 0.000 5.572) 8.658 11.899 ( 2.269 0.000 2.412) 3.312 12.216 ( 3.149 0.000 3.888) 5.004 12.287 ( -4.064 0.000 -2.316) 4.677 12.506 ( 5.147 0.000 9.230) 10.568 12.629 ( -7.232 0.000 6.067) 9.440 12.768 ( 4.010 0.000 -12.613) 13.235 12.840 ( -3.508 0.000 -11.085) 11.627 13.479 ( 0.863 0.000 -2.091) 2.262 13.512 ( -2.396 0.000 -5.038) 5.579 14.113 ( 0.511 0.000 0.074) 0.516 14.118 ( -0.098 0.000 -0.429) 0.440 14.674 ( 4.687 0.000 5.487) 7.216 14.715 ( 1.267 0.000 1.142) 1.705 14.723 ( 0.452 0.000 0.402) 0.605 14.736 ( -1.152 0.000 0.180) 1.166 15.622 ( -1.318 0.000 -1.960) 2.362 15.663 ( -4.903 0.000 -5.298) 7.219 17.027 ( 6.519 0.000 10.092) 12.014 17.096 ( -0.080 0.000 3.961) 3.962 19.113 ( -1.499 0.000 -3.651) 3.947 19.115 ( 0.850 0.000 1.682) 1.884 19.162 ( -3.955 0.000 -2.934) 4.924 19.182 ( -8.024 0.000 -9.745) 12.623 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 7.301 1.178) 7.395 2.014 ( 0.000 6.373 -5.847) 8.649 2.247 ( 0.000 0.133 13.881) 13.881 2.549 ( 0.000 0.269 -14.718) 14.720 2.657 ( 0.000 4.985 9.331) 10.579 2.660 ( 0.000 -2.378 7.231) 7.612 2.822 ( 0.000 1.325 -5.768) 5.919 2.905 ( 0.000 6.656 -11.489) 13.278 3.205 ( 0.000 -8.284 5.757) 10.088 3.326 ( 0.000 -9.336 -5.638) 10.906 3.927 ( 0.000 -13.804 14.838) 20.266 4.178 ( 0.000 -13.796 -9.993) 17.035 4.622 ( 0.000 15.873 15.793) 22.391 4.967 ( 0.000 13.587 -17.500) 22.155 5.638 ( 0.000 -2.919 0.538) 2.968 5.779 ( 0.000 -3.334 -13.223) 13.637 6.240 ( 0.000 6.726 27.375) 28.189 6.662 ( 0.000 15.529 -2.854) 15.789 6.961 ( 0.000 -0.170 -1.661) 1.669 7.004 ( 0.000 17.559 -2.403) 17.722 7.253 ( 0.000 4.702 25.342) 25.775 7.817 ( 0.000 -1.284 -9.517) 9.603 8.179 ( 0.000 -1.524 -0.150) 1.532 8.394 ( 0.000 -1.486 -11.500) 11.596 8.540 ( 0.000 -1.362 -2.251) 2.631 8.600 ( 0.000 -4.150 -7.436) 8.516 9.047 ( 0.000 5.490 8.968) 10.515 9.089 ( 0.000 -4.427 7.713) 8.893 9.629 ( 0.000 0.986 -7.016) 7.085 9.699 ( 0.000 -11.317 -9.214) 14.593 10.079 ( 0.000 4.638 2.865) 5.451 10.173 ( 0.000 5.384 -5.734) 7.866 10.660 ( 0.000 -1.671 7.813) 7.989 10.787 ( 0.000 -3.510 -3.705) 5.104 10.993 ( 0.000 -5.311 11.713) 12.861 11.216 ( 0.000 -4.446 -5.868) 7.362 11.320 ( 0.000 7.106 -1.421) 7.246 11.360 ( 0.000 6.624 -9.492) 11.574 12.189 ( 0.000 -0.727 12.965) 12.985 12.241 ( 0.000 -7.702 6.391) 10.009 12.603 ( 0.000 3.686 -9.806) 10.476 12.617 ( 0.000 1.544 -11.533) 11.636 12.982 ( 0.000 -3.556 8.743) 9.438 13.211 ( 0.000 -3.965 -12.223) 12.850 13.476 ( 0.000 5.543 7.143) 9.042 13.624 ( 0.000 3.666 -7.051) 7.947 14.088 ( 0.000 1.981 5.705) 6.039 14.225 ( 0.000 1.295 -7.790) 7.897 14.464 ( 0.000 2.152 3.012) 3.702 14.550 ( 0.000 -0.286 -4.617) 4.625 14.577 ( 0.000 1.241 4.298) 4.473 14.666 ( 0.000 0.590 -4.389) 4.429 15.893 ( 0.000 -3.588 3.444) 4.973 15.936 ( 0.000 -4.177 -0.796) 4.252 16.618 ( 0.000 2.395 14.700) 14.894 16.842 ( 0.000 -0.645 -6.658) 6.690 19.221 ( 0.000 0.093 15.380) 15.381 19.491 ( 0.000 -1.717 -10.769) 10.905 19.629 ( 0.000 -4.073 3.133) 5.139 19.714 ( 0.000 -7.829 -4.670) 9.116 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -3.356 9.149 -0.049) 9.745 1.974 ( -3.993 8.189 -5.616) 10.702 2.273 ( 2.201 0.181 10.952) 11.172 2.509 ( -2.485 1.397 -8.887) 9.333 2.687 ( 3.514 -2.982 4.888) 6.718 2.746 ( 5.439 2.706 6.417) 8.837 2.830 ( 1.968 0.342 -3.807) 4.299 2.962 ( 4.152 4.895 -9.042) 11.089 3.224 ( 2.323 -6.677 3.596) 7.932 3.315 ( -0.684 -7.741 -4.617) 9.039 3.946 ( 2.441 -13.940 12.285) 18.740 4.154 ( -2.070 -13.636 -8.264) 16.078 4.693 ( 7.083 16.290 15.098) 23.312 5.025 ( 5.700 14.114 -16.800) 22.671 5.734 ( 9.394 -3.988 1.686) 10.343 5.874 ( 9.286 -4.126 -11.668) 15.473 6.175 ( -5.338 6.383 25.313) 26.645 6.605 ( -6.051 12.744 -10.694) 17.703 6.933 ( 0.683 5.882 14.416) 15.584 7.071 ( -3.395 8.260 13.581) 16.254 7.168 ( -1.354 8.709 -0.993) 8.869 7.698 ( -12.284 -1.260 -19.117) 22.759 8.152 ( -4.843 -5.428 6.149) 9.525 8.391 ( -7.128 -7.615 -10.182) 14.577 8.532 ( 1.968 0.681 -0.305) 2.105 8.589 ( -1.183 -1.736 -4.239) 4.731 8.700 ( -14.646 9.291 8.792) 19.446 8.981 ( -17.912 8.160 -14.568) 24.488 9.702 ( 11.633 -7.361 8.598) 16.230 9.853 ( 3.754 -10.629 -4.076) 11.987 10.096 ( 2.252 3.769 7.089) 8.339 10.259 ( 6.528 -1.013 -7.255) 9.813 10.622 ( -6.915 1.215 2.582) 7.481 10.662 ( -0.872 5.209 -1.431) 5.472 11.181 ( 11.113 -6.692 7.213) 14.843 11.292 ( 6.845 -2.128 -0.691) 7.201 11.370 ( 4.273 2.715 -3.732) 6.289 11.408 ( 6.160 6.311 -5.898) 10.610 12.189 ( 0.132 -0.288 12.794) 12.798 12.252 ( 1.324 -6.589 5.733) 8.834 12.558 ( -4.149 2.685 -9.299) 10.531 12.587 ( -2.543 -0.165 -12.616) 12.871 12.938 ( -4.095 -3.569 7.844) 9.541 13.149 ( -5.932 -4.188 -11.630) 13.711 13.496 ( 1.842 5.470 5.751) 8.148 13.625 ( 0.172 3.441 -6.529) 7.382 14.086 ( -0.199 1.657 4.906) 5.182 14.204 ( -2.015 0.993 -6.592) 6.964 14.472 ( 1.121 2.237 4.361) 5.028 14.576 ( 2.027 -0.706 -4.876) 5.328 14.597 ( 1.992 1.545 3.367) 4.206 14.679 ( 1.347 1.329 -4.577) 4.952 15.905 ( 0.660 -2.903 2.386) 3.815 15.927 ( -1.325 -3.083 0.070) 3.356 16.631 ( 1.572 1.135 13.847) 13.982 16.840 ( 0.224 -1.548 -5.926) 6.130 19.205 ( -1.601 0.067 14.094) 14.185 19.455 ( -3.596 -1.781 -10.175) 10.937 19.569 ( -6.065 -3.681 3.394) 7.865 19.670 ( -4.510 -7.325 -6.003) 10.490 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -8.037 14.597 -1.180) 16.705 1.859 ( -7.814 12.903 -5.905) 16.200 2.316 ( 2.043 0.376 5.180) 5.580 2.468 ( -1.929 1.072 -7.301) 7.627 2.781 ( 6.026 -3.897 5.561) 9.079 2.823 ( 2.932 -1.175 5.103) 6.001 2.902 ( 4.208 -1.083 1.016) 4.463 3.023 ( 1.863 0.069 -5.226) 5.549 3.281 ( 1.787 -3.447 0.054) 3.883 3.325 ( 2.129 -1.956 -4.016) 4.948 4.050 ( 8.707 -15.087 5.867) 18.381 4.133 ( 1.117 -14.526 -2.829) 14.841 4.878 ( 11.125 17.676 13.290) 24.756 5.169 ( 8.376 16.107 -14.650) 23.328 5.943 ( 7.383 -3.668 10.604) 13.432 6.078 ( 8.941 -2.226 3.832) 9.979 6.147 ( 8.279 -0.930 6.203) 10.387 6.473 ( -5.876 7.523 -12.265) 15.542 6.821 ( -11.133 2.718 20.226) 23.247 7.008 ( 0.431 10.181 8.649) 13.366 7.197 ( -2.366 5.346 -11.195) 12.630 7.379 ( -18.494 -0.551 -23.590) 29.981 7.904 ( -16.235 -2.820 3.412) 16.828 8.102 ( -21.344 -7.224 -12.898) 25.964 8.396 ( -13.555 10.556 4.814) 17.841 8.489 ( -10.905 7.931 -5.045) 14.397 8.677 ( 9.402 3.311 7.853) 12.689 8.874 ( 6.985 6.412 -8.438) 12.692 9.832 ( 2.663 -7.246 1.736) 7.912 9.864 ( -1.708 -8.065 -0.010) 8.244 10.189 ( 5.445 -3.120 8.442) 10.519 10.299 ( -3.429 -6.732 -3.434) 8.299 10.545 ( -1.021 9.351 4.751) 10.539 10.680 ( 1.717 11.581 -6.777) 13.527 11.348 ( 7.075 -5.768 7.550) 11.846 11.443 ( 7.407 -4.915 -0.101) 8.890 11.496 ( 9.332 2.571 2.333) 9.956 11.596 ( 11.657 3.432 -5.338) 13.272 12.191 ( -0.185 1.528 11.744) 11.844 12.290 ( 2.382 -5.884 4.973) 8.063 12.462 ( -5.310 0.717 -8.045) 9.666 12.553 ( -0.029 -4.750 -13.728) 14.527 12.842 ( -5.454 -3.943 5.118) 8.455 13.001 ( -8.561 -4.939 -9.822) 13.933 13.535 ( 1.784 5.888 3.066) 6.874 13.628 ( 0.004 3.671 -5.653) 6.740 14.084 ( 0.106 0.655 2.921) 2.995 14.157 ( -2.456 0.339 -4.228) 4.901 14.513 ( 3.085 1.932 5.585) 6.666 14.614 ( 2.032 -1.384 -2.711) 3.660 14.650 ( 3.142 1.810 1.124) 3.796 14.716 ( 2.305 2.367 -4.739) 5.777 15.866 ( -4.818 0.165 2.069) 5.246 15.895 ( -2.153 -0.038 -0.656) 2.251 16.689 ( 4.475 -2.399 12.566) 13.553 16.871 ( 3.122 -4.495 -4.375) 7.007 19.163 ( -2.449 -0.076 10.586) 10.866 19.358 ( -6.115 -2.031 -8.153) 10.392 19.409 ( -9.683 -2.481 3.031) 10.445 19.539 ( -8.754 -5.821 -8.651) 13.614 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -9.542 21.113 -1.401) 23.211 1.677 ( -10.227 19.384 -6.064) 22.740 2.353 ( 1.769 0.744 0.195) 1.929 2.433 ( -1.593 1.139 -6.210) 6.511 2.877 ( 2.662 -2.572 7.590) 8.445 2.909 ( 6.542 -4.472 5.079) 9.413 2.965 ( 1.826 -3.791 1.556) 4.486 3.046 ( 0.934 -1.863 -2.837) 3.520 3.290 ( -0.166 -0.247 -0.596) 0.666 3.344 ( -0.905 2.040 -5.889) 6.298 4.227 ( 8.335 -17.625 4.443) 19.996 4.270 ( 12.290 -18.415 1.444) 22.187 5.096 ( 10.611 19.431 10.031) 24.305 5.311 ( 5.149 19.820 -10.254) 22.902 6.013 ( 5.416 -1.985 14.005) 15.146 6.255 ( -1.549 -2.827 20.775) 21.024 6.280 ( 4.631 -0.166 -6.608) 8.071 6.477 ( 9.865 -1.783 -0.824) 10.058 6.746 ( 5.068 -1.295 -10.736) 11.943 6.897 ( -22.872 -2.284 -24.897) 33.886 6.947 ( -7.615 5.625 6.210) 11.323 7.116 ( -11.246 1.254 -7.730) 13.704 7.670 ( -11.777 -0.541 -1.972) 11.954 7.718 ( -9.678 4.104 -6.157) 12.183 8.127 ( -13.298 14.844 4.654) 20.465 8.245 ( -13.787 14.833 -6.188) 21.175 8.902 ( 12.460 1.416 8.534) 15.169 9.054 ( 9.632 2.479 -5.145) 11.198 9.803 ( -3.548 -5.046 5.123) 8.019 9.881 ( 1.044 -4.219 -2.999) 5.281 10.147 ( -8.584 -2.455 2.973) 9.410 10.237 ( -1.776 -5.124 -4.617) 7.122 10.572 ( 3.398 10.781 7.328) 13.472 10.706 ( 0.499 10.070 -5.007) 11.257 11.483 ( 6.561 -6.230 5.818) 10.757 11.561 ( 4.599 -6.929 -1.172) 8.399 11.711 ( 11.570 3.431 5.950) 13.455 11.812 ( 9.613 2.536 -2.806) 10.330 12.178 ( -0.884 0.792 8.480) 8.562 12.337 ( -0.206 -4.003 -1.976) 4.469 12.365 ( -1.885 -3.513 2.812) 4.878 12.590 ( 3.318 -8.304 -13.231) 15.969 12.724 ( -7.026 -4.377 3.108) 8.842 12.848 ( -6.443 -6.338 -8.419) 12.351 13.558 ( 0.633 6.958 0.315) 6.994 13.619 ( -1.032 5.081 -5.266) 7.390 14.090 ( 0.483 -0.625 0.896) 1.194 14.119 ( -1.334 -0.604 -1.932) 2.424 14.587 ( 4.348 1.004 5.492) 7.077 14.659 ( 2.603 -1.384 -0.889) 3.079 14.705 ( 2.145 1.486 0.936) 2.772 14.755 ( 1.217 1.905 -3.452) 4.127 15.762 ( -4.916 4.594 2.101) 7.049 15.825 ( -4.621 3.958 -3.497) 7.017 16.799 ( 6.491 -6.581 11.758) 14.957 16.946 ( 3.709 -8.140 -1.648) 9.096 19.119 ( -1.760 -0.390 5.789) 6.063 19.210 ( -8.409 -1.623 0.495) 8.578 19.245 ( -6.397 -1.576 -5.203) 8.395 19.346 ( -10.398 -3.537 -10.070) 14.901 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -3.794 25.818 -2.721) 26.237 1.507 ( -5.824 25.020 -4.724) 26.120 2.384 ( 1.316 1.385 -3.259) 3.778 2.407 ( -1.157 1.627 -5.088) 5.465 2.926 ( 2.342 -3.125 7.556) 8.506 2.964 ( -1.276 -3.905 5.279) 6.689 3.018 ( 3.845 -4.110 1.317) 5.781 3.057 ( -0.317 -3.306 -0.706) 3.396 3.290 ( 0.454 2.154 -2.533) 3.356 3.311 ( -1.720 2.933 -4.741) 5.835 4.401 ( 7.523 -21.096 7.589) 23.648 4.447 ( 3.921 -21.605 4.086) 22.334 5.273 ( 7.020 20.523 4.586) 22.170 5.351 ( -0.976 21.601 -2.824) 21.806 6.158 ( 5.108 -4.227 5.829) 8.829 6.236 ( 6.089 -2.266 7.742) 10.106 6.356 ( 2.833 -1.327 -8.179) 8.757 6.498 ( -10.354 2.619 -13.895) 17.525 6.598 ( -6.129 -2.570 0.113) 6.647 6.649 ( -16.028 -1.645 -2.261) 16.271 6.907 ( 10.363 -2.106 -0.544) 10.589 7.057 ( 0.130 -3.763 -12.629) 13.178 7.510 ( 0.520 -2.528 4.203) 4.932 7.634 ( -5.896 -0.479 -7.656) 9.675 7.930 ( -4.414 25.396 0.948) 25.794 7.996 ( -9.805 25.004 -4.951) 27.310 9.126 ( 9.306 0.082 5.343) 10.731 9.196 ( 3.078 0.221 -1.219) 3.318 9.741 ( -1.381 -1.529 6.824) 7.129 9.804 ( -7.051 0.069 1.553) 7.221 10.091 ( 2.744 -3.022 -2.085) 4.583 10.169 ( -4.358 -3.484 -7.901) 9.673 10.644 ( 3.438 9.298 3.855) 10.636 10.695 ( -1.627 9.307 -0.956) 9.496 11.587 ( 3.722 -6.293 2.998) 7.902 11.616 ( 0.826 -6.605 0.413) 6.669 11.902 ( 6.976 3.604 4.524) 9.062 11.943 ( 3.053 3.911 1.291) 5.127 12.173 ( 1.033 -3.387 3.826) 5.213 12.240 ( -5.350 -3.695 -2.076) 6.825 12.441 ( 5.810 -5.757 7.380) 11.016 12.575 ( -7.685 -4.994 5.123) 10.500 12.665 ( 4.144 -9.035 -12.151) 15.699 12.748 ( -4.393 -7.918 -10.051) 13.528 13.568 ( 0.757 7.515 -2.364) 7.914 13.592 ( -1.538 6.791 -4.466) 8.272 14.099 ( 0.345 -1.417 -0.068) 1.460 14.105 ( -0.328 -1.364 -0.638) 1.541 14.674 ( 4.224 0.122 3.982) 5.807 14.709 ( 2.271 -0.487 0.328) 2.346 14.724 ( -0.420 0.367 1.506) 1.606 14.750 ( -1.786 0.712 -0.311) 1.947 15.705 ( -0.542 7.639 -0.966) 7.719 15.739 ( -3.618 7.154 -3.856) 8.896 16.921 ( 5.356 -9.644 9.143) 14.327 16.983 ( -0.532 -10.304 3.636) 10.940 19.101 ( -1.337 -0.865 -1.060) 1.913 19.108 ( 0.306 -0.746 -1.625) 1.814 19.140 ( -4.229 -1.665 -3.894) 5.985 19.172 ( -6.362 -1.124 -7.289) 9.740 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 9.700 1.778) 9.861 2.199 ( 0.000 10.128 -3.163) 10.610 2.279 ( 0.000 3.371 12.292) 12.746 2.551 ( 0.000 -3.609 -2.887) 4.621 2.625 ( 0.000 2.649 -0.653) 2.728 2.738 ( 0.000 -0.003 3.032) 3.032 2.864 ( 0.000 1.058 -3.894) 4.035 2.971 ( 0.000 -8.436 -10.048) 13.120 3.017 ( 0.000 -4.601 4.297) 6.296 3.160 ( 0.000 1.570 -7.138) 7.309 3.627 ( 0.000 -12.262 10.900) 16.406 3.857 ( 0.000 -15.406 -10.669) 18.739 4.989 ( 0.000 16.769 11.373) 20.262 5.242 ( 0.000 9.771 -12.031) 15.499 5.579 ( 0.000 -1.972 -0.952) 2.190 5.704 ( 0.000 -3.824 -11.880) 12.480 6.419 ( 0.000 9.905 27.094) 28.848 6.819 ( 0.000 -5.301 -0.892) 5.376 7.157 ( 0.000 21.876 19.428) 29.257 7.406 ( 0.000 8.817 9.583) 13.022 7.449 ( 0.000 20.926 -5.667) 21.680 7.764 ( 0.000 -3.389 -7.535) 8.262 8.080 ( 0.000 -8.730 3.596) 9.442 8.306 ( 0.000 -7.689 -12.214) 14.433 8.534 ( 0.000 -0.546 -0.906) 1.058 8.535 ( 0.000 1.193 -2.165) 2.472 8.967 ( 0.000 -5.745 0.320) 5.754 9.070 ( 0.000 -5.779 -4.331) 7.222 9.565 ( 0.000 0.892 1.227) 1.517 9.669 ( 0.000 1.609 -7.227) 7.404 10.164 ( 0.000 2.832 1.669) 3.287 10.236 ( 0.000 0.487 -4.706) 4.731 10.637 ( 0.000 -0.136 6.797) 6.798 10.706 ( 0.000 -3.494 0.145) 3.497 10.884 ( 0.000 -3.416 6.524) 7.364 11.049 ( 0.000 -9.009 -8.079) 12.101 11.519 ( 0.000 11.248 0.751) 11.273 11.593 ( 0.000 13.248 -6.990) 14.979 12.035 ( 0.000 -11.341 4.547) 12.219 12.102 ( 0.000 -7.833 0.339) 7.840 12.683 ( 0.000 3.675 -1.641) 4.024 12.697 ( 0.000 5.467 -3.122) 6.296 12.907 ( 0.000 -2.684 5.222) 5.871 13.095 ( 0.000 -6.763 -11.086) 12.986 13.604 ( 0.000 5.816 4.102) 7.117 13.694 ( 0.000 2.199 -4.544) 5.048 14.146 ( 0.000 3.251 4.753) 5.758 14.242 ( 0.000 -0.150 -4.792) 4.795 14.516 ( 0.000 2.231 0.136) 2.235 14.547 ( 0.000 0.037 -2.461) 2.461 14.618 ( 0.000 2.613 2.196) 3.414 14.680 ( 0.000 0.471 -3.798) 3.827 15.804 ( 0.000 -3.999 2.331) 4.629 15.829 ( 0.000 -5.049 -0.126) 5.050 16.686 ( 0.000 3.782 10.536) 11.195 16.818 ( 0.000 -1.777 -1.945) 2.634 19.241 ( 0.000 2.245 11.870) 12.080 19.453 ( 0.000 -1.594 -8.643) 8.789 19.516 ( 0.000 -9.528 0.711) 9.554 19.530 ( 0.000 -4.611 -0.950) 4.708 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.804 11.401 0.792) 11.457 2.197 ( -0.407 11.756 -1.817) 11.902 2.306 ( 2.504 3.609 9.859) 10.794 2.569 ( -0.958 3.032 -11.335) 11.773 2.592 ( 0.701 -4.569 10.534) 11.504 2.759 ( 0.424 -2.388 -2.456) 3.452 2.847 ( -0.940 -1.923 0.062) 2.141 2.931 ( -1.679 -9.688 -5.665) 11.347 3.113 ( 6.780 -2.335 0.357) 7.180 3.216 ( 5.632 3.212 -5.968) 8.812 3.647 ( 2.235 -12.008 8.949) 15.141 3.844 ( -1.265 -14.441 -9.315) 17.231 5.066 ( 7.721 16.785 10.975) 21.490 5.307 ( 6.486 9.771 -11.228) 16.236 5.668 ( 8.964 -1.635 -0.215) 9.114 5.791 ( 8.763 -3.860 -10.724) 14.377 6.345 ( -6.792 9.719 26.142) 28.706 6.732 ( -8.148 -3.536 -1.060) 8.946 7.135 ( -4.236 16.448 18.306) 24.972 7.295 ( -8.243 9.303 7.387) 14.460 7.445 ( -2.039 13.940 -4.532) 14.800 7.653 ( -11.480 -2.415 -15.775) 19.659 8.036 ( -4.862 -5.797 3.361) 8.279 8.217 ( -9.113 -8.342 -9.931) 15.852 8.552 ( 2.192 1.999 1.265) 3.225 8.608 ( 6.310 3.724 -2.567) 7.764 8.828 ( -7.218 1.429 5.526) 9.202 9.061 ( -3.913 -3.168 -13.108) 14.041 9.641 ( 4.195 2.990 2.842) 5.883 9.723 ( 2.440 1.023 -3.462) 4.357 10.051 ( -5.619 -7.713 4.597) 10.592 10.138 ( -2.907 -9.172 -3.347) 10.187 10.707 ( 2.724 6.246 6.026) 9.096 10.813 ( 7.132 7.667 -4.113) 11.250 11.015 ( 11.625 -7.893 7.665) 16.006 11.146 ( 8.880 -8.240 -5.055) 13.126 11.536 ( 1.888 10.263 1.092) 10.492 11.610 ( 2.335 12.176 -6.369) 13.938 12.039 ( 0.655 -11.156 5.318) 12.376 12.127 ( 2.391 -8.199 -1.266) 8.633 12.621 ( -5.860 3.343 -1.714) 6.961 12.640 ( -5.367 4.817 -3.885) 8.192 12.857 ( -4.835 -3.320 4.865) 7.621 13.029 ( -6.469 -6.974 -10.330) 14.042 13.621 ( 1.723 5.588 2.952) 6.550 13.696 ( 0.330 2.475 -4.262) 4.939 14.133 ( -1.217 2.629 3.866) 4.831 14.215 ( -2.535 -0.314 -4.153) 4.876 14.522 ( 0.946 2.111 1.366) 2.686 14.563 ( 1.249 -0.386 -2.150) 2.516 14.648 ( 2.741 3.112 1.317) 4.351 14.708 ( 2.469 1.029 -4.192) 4.973 15.831 ( 2.454 -3.372 2.043) 4.644 15.847 ( 1.639 -3.900 0.387) 4.248 16.671 ( -1.449 2.580 10.065) 10.492 16.795 ( -2.066 -2.618 -1.693) 3.740 19.223 ( -1.808 2.078 10.543) 10.897 19.413 ( -3.950 -1.965 -7.903) 9.051 19.479 ( -4.824 -4.671 -0.440) 6.729 19.487 ( -3.279 -8.128 -0.971) 8.818 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.818 15.022 -0.600) 15.057 2.169 ( -2.674 16.041 0.853) 16.284 2.362 ( 2.960 4.940 3.881) 6.945 2.525 ( -2.119 3.946 -5.932) 7.433 2.655 ( 4.191 -7.372 7.289) 11.182 2.755 ( 0.052 -5.458 -1.440) 5.645 2.838 ( 0.123 -6.757 1.428) 6.907 2.917 ( 0.343 -9.348 -6.126) 11.182 3.246 ( 6.039 1.792 2.359) 6.726 3.344 ( 6.175 3.315 -5.176) 8.713 3.726 ( 6.021 -13.369 3.714) 15.125 3.821 ( -0.440 -13.410 -5.012) 14.323 5.271 ( 12.618 17.077 9.989) 23.465 5.482 ( 10.954 10.113 -9.133) 17.483 5.908 ( 14.445 0.717 2.800) 14.732 6.025 ( 14.051 -2.822 -5.741) 15.439 6.200 ( -6.566 6.514 22.319) 24.159 6.546 ( -9.594 -2.000 -2.686) 10.162 6.939 ( -13.384 8.430 4.446) 16.430 7.157 ( -8.420 2.349 6.870) 11.118 7.312 ( -14.014 4.526 -7.306) 16.439 7.359 ( -14.918 -0.508 -15.719) 21.677 7.901 ( -8.133 0.815 -2.759) 8.626 7.974 ( -15.147 -4.600 -8.296) 17.872 8.591 ( -0.403 8.318 4.246) 9.347 8.682 ( -1.682 11.464 -5.538) 12.843 8.780 ( 5.192 4.081 12.710) 14.323 9.019 ( 1.771 4.825 -9.215) 10.552 9.665 ( 1.739 -7.452 1.233) 7.751 9.698 ( -3.751 -5.977 -1.640) 7.245 10.082 ( 5.854 -5.532 3.669) 8.850 10.156 ( 1.090 -6.849 -3.489) 7.764 10.758 ( 2.710 8.806 7.847) 12.102 10.892 ( 1.974 5.743 -4.238) 7.406 11.230 ( 8.647 -2.837 7.017) 11.492 11.315 ( 6.907 -4.675 -1.296) 8.440 11.615 ( 6.925 7.380 3.219) 10.620 11.707 ( 7.623 7.530 -5.674) 12.125 12.066 ( 2.092 -10.890 6.582) 12.895 12.186 ( 3.448 -8.435 -3.439) 9.740 12.482 ( -7.637 2.586 -2.313) 8.388 12.518 ( -6.552 2.694 -5.785) 9.146 12.739 ( -6.779 -5.111 3.322) 9.116 12.865 ( -9.735 -7.624 -8.273) 14.878 13.667 ( 2.733 5.682 0.765) 6.351 13.712 ( 1.291 3.457 -3.643) 5.185 14.103 ( -1.754 1.086 2.025) 2.890 14.156 ( -3.324 -0.705 -3.128) 4.619 14.555 ( 2.336 1.714 2.447) 3.792 14.592 ( 1.861 -0.618 -1.005) 2.204 14.706 ( 2.752 3.022 0.473) 4.114 14.758 ( 2.230 1.229 -4.115) 4.839 15.872 ( 1.454 0.516 2.441) 2.887 15.895 ( 3.097 -0.083 0.267) 3.110 16.639 ( -1.484 -1.550 9.216) 9.463 16.753 ( -1.956 -5.987 -1.331) 6.438 19.174 ( -3.025 1.433 7.065) 7.818 19.308 ( -6.586 -2.542 -5.779) 9.123 19.350 ( -7.705 -2.587 -0.651) 8.153 19.395 ( -6.158 -6.675 -3.817) 9.851 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -3.845 19.492 2.279) 19.998 2.113 ( -3.407 21.139 -0.781) 21.426 2.414 ( 2.358 5.754 -0.680) 6.255 2.494 ( -0.999 4.524 -5.559) 7.237 2.742 ( 4.120 -9.469 7.368) 12.685 2.786 ( 3.231 -7.591 1.928) 8.472 2.851 ( 0.998 -7.451 1.216) 7.616 2.933 ( 0.792 -8.380 -4.932) 9.756 3.333 ( 3.112 4.767 2.248) 6.120 3.419 ( 1.244 4.846 -5.096) 7.141 3.849 ( 4.441 -16.739 1.639) 17.395 3.874 ( 7.211 -16.839 -0.218) 18.319 5.516 ( 11.463 17.480 9.275) 22.869 5.707 ( 11.075 12.517 -7.897) 18.484 6.032 ( -2.313 6.468 15.738) 17.172 6.207 ( 3.988 -0.657 11.642) 12.323 6.300 ( 12.670 0.670 2.096) 12.859 6.446 ( 1.696 -1.513 -11.571) 11.792 6.726 ( -6.043 0.088 -7.526) 9.652 6.862 ( -19.473 -2.341 -15.746) 25.152 7.014 ( -12.673 2.421 -1.011) 12.942 7.112 ( -11.491 -1.289 -7.405) 13.731 7.638 ( -16.145 -1.111 1.134) 16.223 7.747 ( -10.077 -2.954 -8.026) 13.217 8.537 ( -2.668 21.265 6.457) 22.384 8.633 ( -3.395 19.293 -3.196) 19.848 8.937 ( 9.494 1.391 10.402) 14.152 9.112 ( 5.850 1.770 -6.150) 8.671 9.661 ( 0.401 -7.409 4.381) 8.617 9.744 ( 5.504 -8.445 -3.784) 10.767 10.104 ( -6.139 -1.299 0.360) 6.285 10.143 ( -0.734 -3.365 -3.353) 4.807 10.817 ( 3.624 10.720 7.721) 13.699 10.927 ( 1.801 8.235 -2.746) 8.865 11.350 ( 4.429 -4.245 6.225) 8.740 11.409 ( 3.129 -5.679 0.562) 6.509 11.790 ( 10.050 4.118 4.472) 11.745 11.876 ( 8.818 3.501 -3.890) 10.254 12.118 ( 2.885 -8.290 7.632) 11.632 12.243 ( 1.551 -5.439 -2.592) 6.221 12.343 ( -6.639 1.536 -2.372) 7.215 12.408 ( -3.455 -3.998 -8.501) 10.009 12.600 ( -7.792 -6.790 1.039) 10.388 12.680 ( -8.390 -8.974 -6.580) 13.936 13.718 ( 2.269 7.059 -1.044) 7.488 13.741 ( 1.423 5.509 -3.246) 6.551 14.070 ( -1.563 -1.252 0.251) 2.018 14.094 ( -2.833 -1.816 -2.110) 3.972 14.611 ( 3.427 1.132 2.700) 4.507 14.639 ( 2.921 -0.533 -0.056) 2.970 14.743 ( 0.835 1.824 0.565) 2.083 14.782 ( 0.009 0.461 -2.747) 2.785 15.899 ( 1.469 7.768 3.066) 8.480 15.946 ( 1.818 6.835 -1.235) 7.179 16.623 ( 0.076 -8.765 8.732) 12.373 16.723 ( -1.320 -11.773 -0.407) 11.854 19.116 ( -2.589 0.291 2.681) 3.739 19.173 ( -6.500 -1.664 -2.469) 7.149 19.205 ( -6.598 -1.687 -3.007) 7.445 19.259 ( -7.292 -4.058 -5.692) 10.102 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -1.392 23.862 1.852) 23.975 2.051 ( -2.283 24.353 0.565) 24.466 2.455 ( 1.710 5.484 -3.001) 6.481 2.479 ( -0.821 5.116 -4.521) 6.877 2.803 ( 2.349 -8.647 6.234) 10.915 2.830 ( -0.044 -8.760 5.741) 10.473 2.890 ( 3.084 -7.718 -1.882) 8.522 2.933 ( -1.049 -8.187 -3.310) 8.893 3.380 ( 1.933 6.640 0.449) 6.931 3.412 ( -1.285 6.755 -2.447) 7.299 3.946 ( 4.546 -20.192 4.230) 21.125 3.978 ( 2.104 -20.939 1.706) 21.113 5.703 ( 7.995 17.043 5.428) 19.592 5.814 ( -1.892 19.126 -4.127) 19.657 6.060 ( 6.245 -4.443 6.939) 10.338 6.202 ( -4.457 -2.165 1.632) 5.216 6.386 ( 2.695 5.436 -3.865) 7.194 6.524 ( -5.688 2.320 -8.069) 10.141 6.583 ( -0.346 0.696 -1.475) 1.667 6.653 ( -8.130 0.632 -6.563) 10.468 6.896 ( 5.033 1.548 -3.058) 6.089 7.016 ( -0.502 0.063 -11.968) 11.979 7.396 ( -4.896 -8.183 4.225) 10.430 7.521 ( -12.347 -9.346 -7.455) 17.187 8.521 ( 0.934 26.860 3.601) 27.116 8.564 ( -3.198 25.789 -0.512) 25.992 9.110 ( 7.233 -2.483 6.036) 9.742 9.183 ( 0.262 -2.595 -0.988) 2.789 9.713 ( 4.968 -0.380 5.416) 7.359 9.813 ( -1.764 0.367 -2.971) 3.475 9.997 ( -0.669 -5.233 0.134) 5.277 10.073 ( -5.371 -5.377 -6.087) 9.737 10.895 ( 3.777 13.235 4.741) 14.557 10.942 ( -0.769 12.761 0.247) 12.787 11.417 ( 2.466 -9.054 4.496) 10.405 11.441 ( 0.145 -9.155 2.225) 9.423 11.978 ( 8.793 2.954 3.658) 9.971 12.036 ( 7.425 3.107 -2.216) 8.348 12.120 ( -3.990 0.048 4.746) 6.201 12.188 ( -7.281 -0.297 -2.435) 7.683 12.296 ( 4.234 -6.135 2.280) 7.795 12.404 ( -2.287 -10.998 -2.492) 11.506 12.460 ( -1.530 -8.198 -5.008) 9.727 12.545 ( -6.010 -10.375 -7.959) 14.391 13.751 ( 1.103 8.792 -2.345) 9.166 13.759 ( 0.297 8.174 -3.125) 8.756 14.047 ( -0.566 -3.557 -0.660) 3.661 14.053 ( -1.212 -3.632 -1.224) 4.019 14.682 ( 3.542 0.555 2.108) 4.159 14.701 ( 3.186 -0.302 0.254) 3.211 14.735 ( -1.644 0.634 1.101) 2.077 14.757 ( -2.360 -0.063 -0.702) 2.464 15.933 ( 1.854 13.423 1.345) 13.617 15.959 ( -0.528 13.271 -1.018) 13.320 16.646 ( 2.085 -15.470 6.831) 17.039 16.691 ( -2.120 -16.322 2.751) 16.688 19.084 ( -1.371 -0.571 -1.190) 1.903 19.089 ( -0.688 -0.779 -3.486) 3.638 19.106 ( -3.060 -1.255 -2.875) 4.382 19.137 ( -4.599 -1.914 -4.876) 6.971 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.000 -2.500 8.236) 8.607 2.298 ( 0.000 2.500 8.236) 8.607 2.426 ( 0.000 -7.556 4.642) 8.868 2.426 ( 0.000 7.556 4.642) 8.868 2.708 ( 0.000 -0.965 -4.928) 5.021 2.708 ( 0.000 0.965 -4.928) 5.021 2.779 ( 0.000 -0.337 -12.956) 12.960 2.779 ( 0.000 0.337 -12.956) 12.960 3.138 ( 0.000 -8.225 7.404) 11.067 3.138 ( 0.000 8.226 7.404) 11.067 3.576 ( 0.000 -9.012 -6.314) 11.004 3.576 ( 0.000 9.012 -6.314) 11.004 5.263 ( 0.000 -7.840 4.090) 8.842 5.263 ( 0.000 7.840 4.090) 8.842 5.611 ( 0.000 -4.556 -10.584) 11.523 5.611 ( 0.000 4.556 -10.584) 11.523 6.640 ( 0.000 -10.286 18.736) 21.374 6.640 ( 0.000 10.286 18.736) 21.374 7.582 ( 0.000 -6.560 6.078) 8.943 7.582 ( 0.000 6.560 6.078) 8.943 7.622 ( 0.000 -17.880 1.773) 17.968 7.622 ( 0.000 17.880 1.773) 17.968 8.066 ( 0.000 -12.993 -5.035) 13.934 8.066 ( 0.000 12.993 -5.035) 13.934 8.557 ( 0.000 -0.498 -2.121) 2.179 8.557 ( 0.000 0.498 -2.121) 2.179 8.924 ( 0.000 -3.507 -7.792) 8.545 8.924 ( 0.000 3.507 -7.792) 8.545 9.648 ( 0.000 -3.860 0.224) 3.866 9.648 ( 0.000 3.860 0.224) 3.866 10.210 ( 0.000 -2.046 -2.067) 2.909 10.210 ( 0.000 2.046 -2.067) 2.909 10.653 ( 0.000 -1.544 4.688) 4.936 10.653 ( 0.000 1.544 4.688) 4.936 10.894 ( 0.000 -4.540 -2.462) 5.165 10.894 ( 0.000 4.540 -2.462) 5.165 11.776 ( 0.000 -12.374 2.836) 12.695 11.776 ( 0.000 12.374 2.836) 12.695 11.877 ( 0.000 -12.488 -5.700) 13.727 11.877 ( 0.000 12.488 -5.700) 13.727 12.749 ( 0.000 -1.817 3.847) 4.255 12.749 ( 0.000 1.817 3.847) 4.255 12.943 ( 0.000 -6.520 -6.728) 9.369 12.943 ( 0.000 6.520 -6.728) 9.369 13.695 ( 0.000 -2.315 -0.079) 2.316 13.695 ( 0.000 2.315 -0.079) 2.317 14.212 ( 0.000 -2.605 0.269) 2.619 14.212 ( 0.000 2.605 0.269) 2.619 14.545 ( 0.000 -0.530 -1.479) 1.571 14.545 ( 0.000 0.530 -1.479) 1.571 14.670 ( 0.000 -1.675 -1.034) 1.969 14.670 ( 0.000 1.675 -1.034) 1.969 15.762 ( 0.000 -0.618 0.932) 1.119 15.762 ( 0.000 0.618 0.932) 1.119 16.764 ( 0.000 -3.284 4.449) 5.530 16.764 ( 0.000 3.284 4.449) 5.530 19.332 ( 0.000 -6.501 6.602) 9.266 19.332 ( 0.000 6.501 6.602) 9.266 19.460 ( 0.000 -1.674 -5.216) 5.478 19.460 ( 0.000 1.674 -5.216) 5.478 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 2.790 -1.814 8.707) 9.321 2.327 ( 2.790 1.814 8.707) 9.321 2.456 ( 2.782 -7.090 4.703) 8.951 2.456 ( 2.782 7.090 4.703) 8.951 2.668 ( -3.398 -6.023 -4.586) 8.298 2.668 ( -3.398 6.023 -4.586) 8.298 2.758 ( -1.853 -2.472 -12.609) 12.982 2.758 ( -1.853 2.472 -12.609) 12.982 3.206 ( 6.211 -6.614 5.974) 10.863 3.206 ( 6.211 6.614 5.974) 10.863 3.589 ( 1.117 -7.786 -5.816) 9.783 3.589 ( 1.117 7.786 -5.816) 9.783 5.334 ( 7.058 -7.245 3.986) 10.872 5.334 ( 7.058 7.245 3.986) 10.872 5.702 ( 9.221 -4.248 -9.317) 13.780 5.702 ( 9.221 4.248 -9.317) 13.780 6.567 ( -6.956 -10.327 18.242) 22.086 6.567 ( -6.956 10.327 18.242) 22.086 7.410 ( -13.331 -3.781 2.836) 14.144 7.410 ( -13.331 3.781 2.836) 14.144 7.589 ( -6.908 -6.657 -3.185) 10.108 7.589 ( -6.908 6.657 -3.185) 10.108 8.036 ( -3.387 -7.692 -3.463) 9.090 8.036 ( -3.387 7.692 -3.463) 9.090 8.633 ( 6.342 -3.808 3.722) 8.281 8.633 ( 6.342 3.808 3.722) 8.281 8.893 ( -0.319 -8.490 -9.859) 13.015 8.893 ( -0.319 8.490 -9.859) 13.015 9.789 ( 9.152 -6.343 2.070) 11.325 9.789 ( 9.152 6.343 2.070) 11.325 9.928 ( -16.094 -6.697 -2.418) 17.599 9.928 ( -16.094 6.697 -2.418) 17.599 10.846 ( 4.816 -6.361 6.365) 10.206 10.846 ( 4.816 6.361 6.365) 10.206 10.984 ( 13.934 -6.827 -3.548) 15.917 10.984 ( 13.934 6.827 -3.548) 15.917 11.779 ( 0.478 -11.782 3.011) 12.170 11.779 ( 0.478 11.782 3.011) 12.170 11.892 ( 1.575 -12.492 -5.994) 13.945 11.892 ( 1.575 12.492 -5.994) 13.945 12.688 ( -5.701 -2.003 3.005) 6.749 12.688 ( -5.701 2.003 3.005) 6.749 12.877 ( -6.499 -6.162 -6.078) 10.824 12.877 ( -6.499 6.162 -6.078) 10.824 13.705 ( 1.158 -1.897 -0.548) 2.289 13.705 ( 1.158 1.897 -0.548) 2.289 14.187 ( -2.332 -2.185 -0.051) 3.196 14.187 ( -2.332 2.185 -0.051) 3.196 14.553 ( 0.894 -0.832 -0.543) 1.337 14.553 ( 0.894 0.832 -0.543) 1.337 14.705 ( 2.907 -1.600 -1.675) 3.717 14.705 ( 2.907 1.600 -1.675) 3.717 15.794 ( 3.301 -0.445 1.210) 3.544 15.794 ( 3.301 0.445 1.210) 3.544 16.733 ( -3.065 -3.128 4.277) 6.121 16.733 ( -3.065 3.128 4.277) 6.121 19.307 ( -2.554 -5.974 5.041) 8.223 19.307 ( -2.554 5.974 5.041) 8.223 19.420 ( -3.899 -1.191 -4.513) 6.082 19.420 ( -3.899 1.191 -4.513) 6.082 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 2.558 -3.639 9.783) 10.747 2.386 ( 2.558 3.639 9.783) 10.747 2.516 ( 2.808 -5.057 2.782) 6.419 2.516 ( 2.808 5.057 2.782) 6.419 2.602 ( -2.457 -8.932 -3.833) 10.026 2.602 ( -2.457 8.932 -3.833) 10.026 2.732 ( -0.293 -5.160 -10.155) 11.394 2.732 ( -0.293 5.160 -10.155) 11.394 3.345 ( 7.356 -5.244 3.430) 9.664 3.345 ( 7.356 5.244 3.430) 9.664 3.612 ( 1.102 -4.731 -4.511) 6.629 3.612 ( 1.102 4.731 -4.511) 6.629 5.524 ( 11.778 -5.776 4.211) 13.777 5.524 ( 11.778 5.776 4.211) 13.777 5.958 ( 16.296 -3.257 -5.155) 17.399 5.958 ( 16.296 3.257 -5.155) 17.399 6.402 ( -8.926 -10.315 14.000) 19.546 6.402 ( -8.926 10.315 14.000) 19.546 7.109 ( -16.951 -6.046 -2.991) 18.244 7.109 ( -16.951 6.046 -2.991) 18.244 7.363 ( -14.958 -0.705 -8.948) 17.445 7.363 ( -14.958 0.705 -8.948) 17.445 7.913 ( -9.732 -1.173 -3.044) 10.264 7.913 ( -9.732 1.173 -3.044) 10.264 8.748 ( 5.414 -5.749 10.295) 12.975 8.748 ( 5.414 5.749 10.295) 12.975 8.961 ( 5.731 -10.667 -9.276) 15.254 8.961 ( 5.731 10.667 -9.276) 15.254 9.610 ( -8.808 -2.299 1.339) 9.201 9.610 ( -8.808 2.299 1.339) 9.201 10.038 ( 8.617 -2.650 -1.843) 9.202 10.038 ( 8.617 2.650 -1.843) 9.202 10.886 ( 2.039 -3.826 4.122) 5.982 10.886 ( 2.039 3.826 4.122) 5.982 11.253 ( 10.163 -2.425 1.616) 10.573 11.253 ( 10.163 2.425 1.616) 10.573 11.807 ( 2.843 -9.767 3.318) 10.699 11.807 ( 2.843 9.767 3.318) 10.699 11.942 ( 3.736 -11.289 -5.920) 13.283 11.942 ( 3.736 11.289 -5.920) 13.283 12.558 ( -6.922 -2.439 0.338) 7.346 12.558 ( -6.922 2.439 0.338) 7.346 12.710 ( -10.058 -5.180 -4.558) 12.197 12.710 ( -10.058 5.180 -4.558) 12.197 13.743 ( 2.724 -1.057 -1.324) 3.208 13.743 ( 2.724 1.057 -1.324) 3.208 14.130 ( -3.373 -1.449 -0.667) 3.731 14.130 ( -3.373 1.449 -0.667) 3.731 14.581 ( 1.955 -0.746 0.567) 2.168 14.581 ( 1.955 0.746 0.567) 2.168 14.757 ( 2.017 -1.386 -1.962) 3.137 14.757 ( 2.017 1.386 -1.962) 3.137 15.887 ( 6.106 -0.694 1.852) 6.418 15.887 ( 6.106 0.694 1.852) 6.418 16.651 ( -5.230 -2.938 3.701) 7.048 16.651 ( -5.230 2.938 3.701) 7.048 19.234 ( -4.785 -4.085 1.327) 6.430 19.234 ( -4.785 4.085 1.327) 6.430 19.319 ( -6.067 -0.233 -2.941) 6.747 19.319 ( -6.067 0.233 -2.941) 6.747 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 1.091 -7.283 7.588) 10.574 2.418 ( 1.091 7.283 7.588) 10.574 2.516 ( -1.968 -6.513 -0.529) 6.825 2.516 ( -1.968 6.513 -0.529) 6.825 2.630 ( 4.185 -7.326 -0.912) 8.486 2.630 ( 4.185 7.326 -0.912) 8.486 2.744 ( 0.962 -6.229 -5.288) 8.227 2.744 ( 0.962 6.229 -5.288) 8.227 3.476 ( 5.962 -5.715 1.729) 8.438 3.476 ( 5.962 5.716 1.729) 8.438 3.630 ( 0.658 -3.578 -2.506) 4.418 3.630 ( 0.658 3.578 -2.506) 4.418 5.756 ( 11.049 -5.085 6.358) 13.724 5.756 ( 11.049 5.085 6.358) 13.724 6.198 ( -1.361 -3.555 7.487) 8.399 6.198 ( -1.361 3.555 7.487) 8.399 6.360 ( 13.421 -7.183 -4.831) 15.971 6.360 ( 13.421 7.183 -4.831) 15.971 6.778 ( -15.404 -4.608 -7.548) 17.762 6.778 ( -15.404 4.608 -7.548) 17.762 7.073 ( -13.058 -2.525 -8.515) 15.792 7.073 ( -13.058 2.525 -8.515) 15.792 7.657 ( -15.997 -3.524 -2.822) 16.622 7.657 ( -15.997 3.524 -2.822) 16.622 8.855 ( 5.464 -6.410 9.216) 12.485 8.855 ( 5.464 6.410 9.216) 12.485 9.034 ( 1.022 -10.718 -3.341) 11.273 9.034 ( 1.022 10.718 -3.341) 11.273 9.588 ( 5.661 -3.207 -0.721) 6.546 9.588 ( 5.661 3.207 -0.721) 6.546 10.099 ( -2.676 -0.874 -2.034) 3.473 10.099 ( -2.676 0.874 -2.034) 3.473 10.967 ( 6.613 -3.379 3.864) 8.371 10.967 ( 6.613 3.379 3.864) 8.371 11.346 ( -0.210 -1.699 3.832) 4.197 11.346 ( -0.210 1.699 3.832) 4.197 11.898 ( 6.407 -5.634 2.726) 8.957 11.898 ( 6.407 5.634 2.726) 8.957 12.039 ( 5.913 -7.705 -4.425) 10.673 12.039 ( 5.913 7.705 -4.425) 10.673 12.431 ( -6.128 -2.397 -2.269) 6.960 12.431 ( -6.128 2.397 -2.269) 6.960 12.506 ( -10.358 -4.378 -3.362) 11.737 12.506 ( -10.358 4.378 -3.362) 11.737 13.807 ( 3.775 -0.390 -1.771) 4.188 13.807 ( 3.775 0.390 -1.771) 4.188 14.057 ( -4.065 -0.785 -1.302) 4.340 14.057 ( -4.065 0.785 -1.302) 4.340 14.630 ( 3.039 -0.568 1.119) 3.288 14.630 ( 3.039 0.568 1.119) 3.288 14.774 ( -0.273 -1.035 -1.266) 1.658 14.774 ( -0.273 1.035 -1.266) 1.658 16.029 ( 8.323 -1.820 2.457) 8.867 16.029 ( 8.323 1.820 2.457) 8.867 16.533 ( -6.928 -3.149 2.979) 8.172 16.533 ( -6.928 3.149 2.979) 8.172 19.137 ( -4.529 -1.636 -1.683) 5.101 19.137 ( -4.529 1.636 -1.683) 5.101 19.198 ( -5.984 -1.325 -2.434) 6.595 19.198 ( -5.984 1.325 -2.434) 6.595 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 1.638 -7.151 4.343) 8.525 2.443 ( 1.638 7.151 4.343) 8.525 2.478 ( -1.852 -6.270 1.492) 6.706 2.478 ( -1.852 6.270 1.492) 6.706 2.707 ( 3.236 -5.740 -1.254) 6.707 2.707 ( 3.236 5.740 -1.254) 6.707 2.748 ( -0.864 -6.019 -2.498) 6.574 2.748 ( -0.864 6.019 -2.498) 6.574 3.575 ( 4.078 -6.927 1.293) 8.141 3.575 ( 4.078 6.927 1.293) 8.141 3.628 ( -1.224 -6.582 -0.051) 6.695 3.628 ( -1.224 6.582 -0.051) 6.695 5.937 ( 8.315 -6.300 5.010) 11.572 5.937 ( 8.315 6.300 5.010) 11.572 6.104 ( -7.635 -7.349 -3.122) 11.047 6.104 ( -7.635 7.349 -3.122) 11.047 6.535 ( 2.615 -5.796 -0.673) 6.394 6.535 ( 2.615 5.796 -0.673) 6.394 6.630 ( -3.440 -4.051 -5.525) 7.666 6.630 ( -3.440 4.051 -5.525) 7.666 6.991 ( 9.838 -5.747 -6.761) 13.249 6.991 ( 9.838 5.747 -6.761) 13.249 7.313 ( -18.696 -5.952 -3.617) 19.952 7.313 ( -18.696 5.952 -3.617) 19.952 8.953 ( 4.320 -10.422 5.682) 12.632 8.953 ( 4.320 10.422 5.682) 12.632 9.017 ( -2.248 -12.075 1.281) 12.349 9.017 ( -2.248 12.075 1.281) 12.349 9.761 ( 10.656 -4.710 -1.714) 11.776 9.761 ( 10.656 4.710 -1.714) 11.776 9.967 ( -9.650 -3.448 -1.973) 10.436 9.967 ( -9.650 3.448 -1.973) 10.436 11.124 ( 8.641 -3.024 3.840) 9.928 11.124 ( 8.641 3.024 3.840) 9.928 11.275 ( -6.334 -2.229 4.227) 7.934 11.275 ( -6.334 2.229 4.227) 7.934 12.043 ( 7.962 -2.877 1.546) 8.606 12.043 ( 7.962 2.877 1.546) 8.606 12.137 ( 1.793 -2.914 -1.657) 3.801 12.137 ( 1.793 2.914 -1.657) 3.801 12.309 ( -4.847 -5.044 -2.211) 7.337 12.309 ( -4.847 5.044 -2.211) 7.337 12.343 ( -5.725 -7.879 -4.922) 10.912 12.343 ( -5.725 7.879 -4.922) 10.912 13.887 ( 4.323 -0.065 -1.897) 4.721 13.887 ( 4.323 0.065 -1.897) 4.721 13.973 ( -4.469 -0.320 -1.750) 4.810 13.973 ( -4.469 0.320 -1.750) 4.810 14.693 ( 3.278 -0.448 0.905) 3.429 14.693 ( 3.278 0.448 0.905) 3.429 14.749 ( -2.231 -0.604 -0.060) 2.312 14.749 ( -2.231 0.604 -0.060) 2.312 16.203 ( 9.351 -2.887 2.688) 10.149 16.203 ( 9.351 2.887 2.688) 10.149 16.381 ( -8.608 -3.362 2.671) 9.620 16.381 ( -8.608 3.362 2.671) 9.620 19.079 ( -1.033 -0.206 -2.909) 3.094 19.079 ( -1.033 0.206 -2.909) 3.094 19.103 ( -3.375 -1.006 -2.972) 4.608 19.103 ( -3.375 1.006 -2.972) 4.608 =================== 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 3/29160 10.0 2410.312 2144.594 3300.138 0.000 0.000 -0.000 3/29160 20.0 277.293 266.934 325.282 0.000 0.000 0.000 3/29160 30.0 105.227 98.500 115.755 0.000 0.000 0.000 3/29160 40.0 57.146 52.739 60.739 0.000 0.000 0.000 3/29160 50.0 37.083 34.037 38.682 0.000 0.000 0.000 3/29160 60.0 26.687 24.442 27.542 0.000 0.000 0.000 3/29160 70.0 20.529 18.785 21.061 0.000 0.000 0.000 3/29160 80.0 16.539 15.130 16.914 0.000 0.000 0.000 3/29160 90.0 13.780 12.610 14.073 0.000 0.000 0.000 3/29160 100.0 11.777 10.786 12.023 0.000 0.000 0.000 3/29160 110.0 10.267 9.415 10.484 0.000 0.000 0.000 3/29160 120.0 9.093 8.352 9.291 0.000 0.000 0.000 3/29160 130.0 8.158 7.506 8.342 0.000 0.000 0.000 3/29160 140.0 7.397 6.819 7.571 0.000 0.000 0.000 3/29160 150.0 6.767 6.251 6.933 0.000 0.000 0.000 3/29160 160.0 6.237 5.773 6.396 0.000 0.000 0.000 3/29160 170.0 5.786 5.366 5.940 0.000 0.000 0.000 3/29160 180.0 5.397 5.015 5.546 0.000 0.000 0.000 3/29160 190.0 5.059 4.709 5.203 0.000 0.000 0.000 3/29160 200.0 4.762 4.440 4.902 0.000 0.000 0.000 3/29160 210.0 4.499 4.202 4.635 0.000 0.000 0.000 3/29160 220.0 4.265 3.989 4.398 0.000 0.000 0.000 3/29160 230.0 4.054 3.798 4.184 0.000 0.000 0.000 3/29160 240.0 3.864 3.625 3.991 0.000 0.000 0.000 3/29160 250.0 3.692 3.468 3.816 0.000 0.000 0.000 3/29160 260.0 3.535 3.324 3.656 0.000 0.000 0.000 3/29160 270.0 3.391 3.193 3.510 0.000 0.000 0.000 3/29160 280.0 3.259 3.071 3.375 0.000 0.000 0.000 3/29160 290.0 3.137 2.959 3.251 0.000 0.000 0.000 3/29160 300.0 3.025 2.856 3.135 0.000 0.000 0.000 3/29160 310.0 2.920 2.759 3.028 0.000 0.000 0.000 3/29160 320.0 2.822 2.669 2.929 0.000 0.000 0.000 3/29160 330.0 2.731 2.585 2.836 0.000 0.000 0.000 3/29160 340.0 2.646 2.506 2.748 0.000 0.000 0.000 3/29160 350.0 2.566 2.432 2.666 0.000 0.000 0.000 3/29160 360.0 2.491 2.363 2.589 0.000 0.000 0.000 3/29160 370.0 2.421 2.297 2.517 0.000 0.000 0.000 3/29160 380.0 2.354 2.235 2.448 0.000 0.000 0.000 3/29160 390.0 2.291 2.176 2.383 0.000 0.000 0.000 3/29160 400.0 2.231 2.121 2.322 0.000 0.000 0.000 3/29160 410.0 2.175 2.068 2.264 0.000 0.000 0.000 3/29160 420.0 2.121 2.018 2.208 0.000 0.000 0.000 3/29160 430.0 2.070 1.970 2.156 0.000 0.000 0.000 3/29160 440.0 2.021 1.924 2.106 0.000 0.000 0.000 3/29160 450.0 1.975 1.881 2.058 0.000 0.000 0.000 3/29160 460.0 1.930 1.839 2.012 0.000 0.000 0.000 3/29160 470.0 1.888 1.800 1.968 0.000 0.000 0.000 3/29160 480.0 1.848 1.762 1.927 0.000 0.000 0.000 3/29160 490.0 1.809 1.725 1.887 0.000 0.000 0.000 3/29160 500.0 1.772 1.690 1.848 0.000 0.000 0.000 3/29160 510.0 1.736 1.657 1.811 0.000 0.000 0.000 3/29160 520.0 1.702 1.625 1.776 0.000 0.000 0.000 3/29160 530.0 1.669 1.594 1.742 0.000 0.000 0.000 3/29160 540.0 1.638 1.564 1.709 0.000 0.000 0.000 3/29160 550.0 1.607 1.535 1.678 0.000 0.000 0.000 3/29160 560.0 1.578 1.508 1.647 0.000 0.000 0.000 3/29160 570.0 1.550 1.481 1.618 0.000 0.000 0.000 3/29160 580.0 1.523 1.455 1.590 0.000 0.000 0.000 3/29160 590.0 1.496 1.430 1.563 0.000 0.000 0.000 3/29160 600.0 1.471 1.406 1.536 0.000 0.000 0.000 3/29160 610.0 1.446 1.383 1.511 0.000 0.000 0.000 3/29160 620.0 1.423 1.361 1.486 0.000 0.000 0.000 3/29160 630.0 1.400 1.339 1.462 0.000 0.000 0.000 3/29160 640.0 1.378 1.318 1.439 0.000 0.000 0.000 3/29160 650.0 1.356 1.298 1.417 0.000 0.000 0.000 3/29160 660.0 1.335 1.278 1.395 0.000 0.000 0.000 3/29160 670.0 1.315 1.259 1.374 0.000 0.000 0.000 3/29160 680.0 1.295 1.240 1.354 0.000 0.000 0.000 3/29160 690.0 1.276 1.222 1.334 0.000 0.000 0.000 3/29160 700.0 1.258 1.205 1.315 0.000 0.000 0.000 3/29160 710.0 1.240 1.187 1.296 0.000 0.000 0.000 3/29160 720.0 1.223 1.171 1.278 0.000 0.000 0.000 3/29160 730.0 1.206 1.155 1.261 0.000 0.000 0.000 3/29160 740.0 1.189 1.139 1.244 0.000 0.000 0.000 3/29160 750.0 1.173 1.124 1.227 0.000 0.000 0.000 3/29160 760.0 1.158 1.109 1.211 0.000 0.000 0.000 3/29160 770.0 1.142 1.095 1.195 0.000 0.000 0.000 3/29160 780.0 1.128 1.081 1.179 0.000 0.000 0.000 3/29160 790.0 1.113 1.067 1.164 0.000 0.000 0.000 3/29160 800.0 1.099 1.053 1.150 0.000 0.000 0.000 3/29160 810.0 1.085 1.040 1.135 0.000 0.000 0.000 3/29160 820.0 1.072 1.028 1.122 0.000 0.000 0.000 3/29160 830.0 1.059 1.015 1.108 0.000 0.000 0.000 3/29160 840.0 1.046 1.003 1.095 0.000 0.000 0.000 3/29160 850.0 1.034 0.991 1.082 0.000 0.000 0.000 3/29160 860.0 1.022 0.980 1.069 0.000 0.000 0.000 3/29160 870.0 1.010 0.968 1.057 0.000 0.000 0.000 3/29160 880.0 0.998 0.957 1.045 0.000 0.000 0.000 3/29160 890.0 0.987 0.947 1.033 0.000 0.000 0.000 3/29160 900.0 0.976 0.936 1.021 0.000 0.000 0.000 3/29160 910.0 0.965 0.926 1.010 0.000 0.000 0.000 3/29160 920.0 0.955 0.916 0.999 0.000 0.000 0.000 3/29160 930.0 0.944 0.906 0.988 0.000 0.000 0.000 3/29160 940.0 0.934 0.896 0.978 0.000 0.000 0.000 3/29160 950.0 0.924 0.887 0.967 0.000 0.000 0.000 3/29160 960.0 0.915 0.878 0.957 0.000 0.000 0.000 3/29160 970.0 0.905 0.868 0.947 0.000 0.000 0.000 3/29160 980.0 0.896 0.860 0.938 0.000 0.000 0.000 3/29160 990.0 0.887 0.851 0.928 0.000 0.000 0.000 3/29160 1000.0 0.878 0.842 0.919 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:03:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|