----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:36:03]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381234380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.462249479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): *1 Rb 0.62392051312846 0.75000000000000 0.67186900229236 85.468 2 Rb 0.12392051312846 0.75000000000000 0.82813099770764 85.468 3 Rb 0.87607948687154 0.25000000000000 0.17186900229236 85.468 4 Rb 0.37607948687154 0.25000000000000 0.32813099770764 85.468 *5 Ga 0.93748791394655 0.25000000000000 0.53539559426168 69.723 6 Ga 0.43748791394655 0.25000000000000 0.96460440573832 69.723 7 Ga 0.56251208605345 0.75000000000000 0.03539559426168 69.723 8 Ga 0.06251208605345 0.75000000000000 0.46460440573832 69.723 *9 H 0.27765655962275 0.75000000000000 0.51966333075791 1.008 *10 H 0.89764447580826 0.25000000000000 0.71198967331109 1.008 11 H 0.39764447580826 0.25000000000000 0.78801032668891 1.008 12 H 0.77765655962275 0.75000000000000 0.98033666924209 1.008 13 H 0.22234344037725 0.25000000000000 0.01966333075791 1.008 14 H 0.60235552419174 0.75000000000000 0.21198967331109 1.008 15 H 0.10235552419174 0.75000000000000 0.28801032668891 1.008 16 H 0.72234344037725 0.25000000000000 0.48033666924209 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.381234380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.462249479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): *1 Rb 0.62392051312846 0.75000000000000 0.67186900229236 85.468 > 1 2 Rb 0.12392051312846 0.75000000000000 0.82813099770764 85.468 > 2 3 Rb 0.87607948687154 0.25000000000000 0.17186900229236 85.468 > 3 4 Rb 0.37607948687154 0.25000000000000 0.32813099770764 85.468 > 4 *5 Ga 0.93748791394655 0.25000000000000 0.53539559426168 69.723 > 5 6 Ga 0.43748791394655 0.25000000000000 0.96460440573832 69.723 > 6 7 Ga 0.56251208605345 0.75000000000000 0.03539559426168 69.723 > 7 8 Ga 0.06251208605345 0.75000000000000 0.46460440573832 69.723 > 8 *9 H 0.27765655962275 0.75000000000000 0.51966333075791 1.008 > 9 *10 H 0.89764447580826 0.25000000000000 0.71198967331109 1.008 > 10 11 H 0.39764447580826 0.25000000000000 0.78801032668891 1.008 > 11 12 H 0.77765655962275 0.75000000000000 0.98033666924209 1.008 > 12 13 H 0.22234344037725 0.25000000000000 0.01966333075791 1.008 > 13 14 H 0.60235552419174 0.75000000000000 0.21198967331109 1.008 > 14 15 H 0.10235552419174 0.75000000000000 0.28801032668891 1.008 > 15 16 H 0.72234344037725 0.25000000000000 0.48033666924209 1.008 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.762468760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.386748439999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): *1 Rb 0.31196025656423 0.25000000000000 0.67186900229236 85.468 > 1 2 Rb 0.81196025656423 0.25000000000000 0.67186900229236 85.468 > 1 3 Rb 0.31196025656423 0.58333333333333 0.67186900229236 85.468 > 1 4 Rb 0.81196025656423 0.58333333333333 0.67186900229236 85.468 > 1 5 Rb 0.31196025656423 0.91666666666667 0.67186900229236 85.468 > 1 6 Rb 0.81196025656423 0.91666666666667 0.67186900229236 85.468 > 1 7 Rb 0.06196025656423 0.25000000000000 0.82813099770764 85.468 > 2 8 Rb 0.56196025656423 0.25000000000000 0.82813099770764 85.468 > 2 9 Rb 0.06196025656423 0.58333333333333 0.82813099770764 85.468 > 2 10 Rb 0.56196025656423 0.58333333333333 0.82813099770764 85.468 > 2 11 Rb 0.06196025656423 0.91666666666667 0.82813099770764 85.468 > 2 12 Rb 0.56196025656423 0.91666666666667 0.82813099770764 85.468 > 2 13 Rb 0.43803974343577 0.08333333333333 0.17186900229236 85.468 > 3 14 Rb 0.93803974343577 0.08333333333333 0.17186900229236 85.468 > 3 15 Rb 0.43803974343577 0.41666666666667 0.17186900229236 85.468 > 3 16 Rb 0.93803974343577 0.41666666666667 0.17186900229236 85.468 > 3 17 Rb 0.43803974343577 0.75000000000000 0.17186900229236 85.468 > 3 18 Rb 0.93803974343577 0.75000000000000 0.17186900229236 85.468 > 3 19 Rb 0.18803974343577 0.08333333333333 0.32813099770764 85.468 > 4 20 Rb 0.68803974343577 0.08333333333333 0.32813099770764 85.468 > 4 21 Rb 0.18803974343577 0.41666666666667 0.32813099770764 85.468 > 4 22 Rb 0.68803974343577 0.41666666666667 0.32813099770764 85.468 > 4 23 Rb 0.18803974343577 0.75000000000000 0.32813099770764 85.468 > 4 24 Rb 0.68803974343577 0.75000000000000 0.32813099770764 85.468 > 4 *25 Ga 0.46874395697328 0.08333333333333 0.53539559426168 69.723 > 5 26 Ga 0.96874395697328 0.08333333333333 0.53539559426168 69.723 > 5 27 Ga 0.46874395697328 0.41666666666667 0.53539559426168 69.723 > 5 28 Ga 0.96874395697328 0.41666666666667 0.53539559426168 69.723 > 5 29 Ga 0.46874395697328 0.75000000000000 0.53539559426168 69.723 > 5 30 Ga 0.96874395697328 0.75000000000000 0.53539559426168 69.723 > 5 31 Ga 0.21874395697328 0.08333333333333 0.96460440573832 69.723 > 6 32 Ga 0.71874395697328 0.08333333333333 0.96460440573832 69.723 > 6 33 Ga 0.21874395697328 0.41666666666667 0.96460440573832 69.723 > 6 34 Ga 0.71874395697328 0.41666666666667 0.96460440573832 69.723 > 6 35 Ga 0.21874395697328 0.75000000000000 0.96460440573832 69.723 > 6 36 Ga 0.71874395697328 0.75000000000000 0.96460440573832 69.723 > 6 37 Ga 0.28125604302672 0.25000000000000 0.03539559426168 69.723 > 7 38 Ga 0.78125604302672 0.25000000000000 0.03539559426168 69.723 > 7 39 Ga 0.28125604302672 0.58333333333333 0.03539559426168 69.723 > 7 40 Ga 0.78125604302672 0.58333333333333 0.03539559426168 69.723 > 7 41 Ga 0.28125604302672 0.91666666666667 0.03539559426168 69.723 > 7 42 Ga 0.78125604302672 0.91666666666667 0.03539559426168 69.723 > 7 43 Ga 0.03125604302672 0.25000000000000 0.46460440573832 69.723 > 8 44 Ga 0.53125604302672 0.25000000000000 0.46460440573832 69.723 > 8 45 Ga 0.03125604302672 0.58333333333333 0.46460440573832 69.723 > 8 46 Ga 0.53125604302672 0.58333333333333 0.46460440573832 69.723 > 8 47 Ga 0.03125604302672 0.91666666666667 0.46460440573832 69.723 > 8 48 Ga 0.53125604302672 0.91666666666667 0.46460440573832 69.723 > 8 *49 H 0.13882827981138 0.25000000000000 0.51966333075791 1.008 > 9 50 H 0.63882827981138 0.25000000000000 0.51966333075791 1.008 > 9 51 H 0.13882827981138 0.58333333333333 0.51966333075791 1.008 > 9 52 H 0.63882827981138 0.58333333333333 0.51966333075791 1.008 > 9 53 H 0.13882827981138 0.91666666666667 0.51966333075791 1.008 > 9 54 H 0.63882827981138 0.91666666666667 0.51966333075791 1.008 > 9 *55 H 0.44882223790413 0.08333333333333 0.71198967331109 1.008 > 10 56 H 0.94882223790413 0.08333333333333 0.71198967331109 1.008 > 10 57 H 0.44882223790413 0.41666666666667 0.71198967331109 1.008 > 10 58 H 0.94882223790413 0.41666666666667 0.71198967331109 1.008 > 10 59 H 0.44882223790413 0.75000000000000 0.71198967331109 1.008 > 10 60 H 0.94882223790413 0.75000000000000 0.71198967331109 1.008 > 10 61 H 0.19882223790413 0.08333333333333 0.78801032668891 1.008 > 11 62 H 0.69882223790413 0.08333333333333 0.78801032668891 1.008 > 11 63 H 0.19882223790413 0.41666666666667 0.78801032668891 1.008 > 11 64 H 0.69882223790413 0.41666666666667 0.78801032668891 1.008 > 11 65 H 0.19882223790413 0.75000000000000 0.78801032668891 1.008 > 11 66 H 0.69882223790413 0.75000000000000 0.78801032668891 1.008 > 11 67 H 0.38882827981138 0.25000000000000 0.98033666924209 1.008 > 12 68 H 0.88882827981138 0.25000000000000 0.98033666924209 1.008 > 12 69 H 0.38882827981138 0.58333333333333 0.98033666924209 1.008 > 12 70 H 0.88882827981138 0.58333333333333 0.98033666924209 1.008 > 12 71 H 0.38882827981138 0.91666666666667 0.98033666924209 1.008 > 12 72 H 0.88882827981138 0.91666666666667 0.98033666924209 1.008 > 12 73 H 0.11117172018862 0.08333333333333 0.01966333075791 1.008 > 13 74 H 0.61117172018862 0.08333333333333 0.01966333075791 1.008 > 13 75 H 0.11117172018862 0.41666666666667 0.01966333075791 1.008 > 13 76 H 0.61117172018862 0.41666666666667 0.01966333075791 1.008 > 13 77 H 0.11117172018862 0.75000000000000 0.01966333075791 1.008 > 13 78 H 0.61117172018862 0.75000000000000 0.01966333075791 1.008 > 13 79 H 0.30117776209587 0.25000000000000 0.21198967331109 1.008 > 14 80 H 0.80117776209587 0.25000000000000 0.21198967331109 1.008 > 14 81 H 0.30117776209587 0.58333333333333 0.21198967331109 1.008 > 14 82 H 0.80117776209587 0.58333333333333 0.21198967331109 1.008 > 14 83 H 0.30117776209587 0.91666666666667 0.21198967331109 1.008 > 14 84 H 0.80117776209587 0.91666666666667 0.21198967331109 1.008 > 14 85 H 0.05117776209587 0.25000000000000 0.28801032668891 1.008 > 15 86 H 0.55117776209587 0.25000000000000 0.28801032668891 1.008 > 15 87 H 0.05117776209587 0.58333333333333 0.28801032668891 1.008 > 15 88 H 0.55117776209587 0.58333333333333 0.28801032668891 1.008 > 15 89 H 0.05117776209587 0.91666666666667 0.28801032668891 1.008 > 15 90 H 0.55117776209587 0.91666666666667 0.28801032668891 1.008 > 15 91 H 0.36117172018862 0.08333333333333 0.48033666924209 1.008 > 16 92 H 0.86117172018862 0.08333333333333 0.48033666924209 1.008 > 16 93 H 0.36117172018862 0.41666666666667 0.48033666924209 1.008 > 16 94 H 0.86117172018862 0.41666666666667 0.48033666924209 1.008 > 16 95 H 0.36117172018862 0.75000000000000 0.48033666924209 1.008 > 16 96 H 0.86117172018862 0.75000000000000 0.48033666924209 1.008 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8989997 0.0000000 0.0000000 0.0000000 16.4326019 0.0000000 0.0000000 0.0000000 3.7885779 -------------------------- Born effective charges -------------------------- 1 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 2 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 3 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 4 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 5 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 6 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 7 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 8 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 9 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 10 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 11 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 12 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 13 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 14 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 15 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 16 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 968 Number of blocks in projector: 968 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (968, 948), data: False |-- (128, 128), data: True |-- (128, 128), data: True |-- (152, 148), data: True |-- (152, 148), data: True |-- (152, 148), data: True |-- (256, 248), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.888 Solver_block: 200 / 240 - Time: 0.865 Solver_block: 240 / 240 - Time: 0.419 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.190 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 968 Number of blocks in projector: 968 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (968, 948), data: False |-- (128, 128), data: True |-- (128, 128), data: True |-- (152, 148), data: True |-- (152, 148), data: True |-- (152, 148), data: True |-- (256, 248), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:36:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:36:15]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381234380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.462249479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): 1 Rb 0.62392051312846 0.75000000000000 0.67186900229236 85.468 2 Rb 0.12392051312846 0.75000000000000 0.82813099770764 85.468 3 Rb 0.87607948687154 0.25000000000000 0.17186900229236 85.468 4 Rb 0.37607948687154 0.25000000000000 0.32813099770764 85.468 5 Ga 0.93748791394655 0.25000000000000 0.53539559426168 69.723 6 Ga 0.43748791394655 0.25000000000000 0.96460440573832 69.723 7 Ga 0.56251208605345 0.75000000000000 0.03539559426168 69.723 8 Ga 0.06251208605345 0.75000000000000 0.46460440573832 69.723 9 H 0.27765655962275 0.75000000000000 0.51966333075791 1.008 10 H 0.89764447580826 0.25000000000000 0.71198967331109 1.008 11 H 0.39764447580826 0.25000000000000 0.78801032668891 1.008 12 H 0.77765655962275 0.75000000000000 0.98033666924209 1.008 13 H 0.22234344037725 0.25000000000000 0.01966333075791 1.008 14 H 0.60235552419174 0.75000000000000 0.21198967331109 1.008 15 H 0.10235552419174 0.75000000000000 0.28801032668891 1.008 16 H 0.72234344037725 0.25000000000000 0.48033666924209 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.762468760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.386748439999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): 1 Rb 0.31196025656423 0.25000000000000 0.67186900229236 85.468 > 1 2 Rb 0.81196025656423 0.25000000000000 0.67186900229236 85.468 > 1 3 Rb 0.31196025656423 0.58333333333333 0.67186900229236 85.468 > 1 4 Rb 0.81196025656423 0.58333333333333 0.67186900229236 85.468 > 1 5 Rb 0.31196025656423 0.91666666666667 0.67186900229236 85.468 > 1 6 Rb 0.81196025656423 0.91666666666667 0.67186900229236 85.468 > 1 7 Rb 0.06196025656423 0.25000000000000 0.82813099770764 85.468 > 7 8 Rb 0.56196025656423 0.25000000000000 0.82813099770764 85.468 > 7 9 Rb 0.06196025656423 0.58333333333333 0.82813099770764 85.468 > 7 10 Rb 0.56196025656423 0.58333333333333 0.82813099770764 85.468 > 7 11 Rb 0.06196025656423 0.91666666666667 0.82813099770764 85.468 > 7 12 Rb 0.56196025656423 0.91666666666667 0.82813099770764 85.468 > 7 13 Rb 0.43803974343577 0.08333333333333 0.17186900229236 85.468 > 13 14 Rb 0.93803974343577 0.08333333333333 0.17186900229236 85.468 > 13 15 Rb 0.43803974343577 0.41666666666667 0.17186900229236 85.468 > 13 16 Rb 0.93803974343577 0.41666666666667 0.17186900229236 85.468 > 13 17 Rb 0.43803974343577 0.75000000000000 0.17186900229236 85.468 > 13 18 Rb 0.93803974343577 0.75000000000000 0.17186900229236 85.468 > 13 19 Rb 0.18803974343577 0.08333333333333 0.32813099770764 85.468 > 19 20 Rb 0.68803974343577 0.08333333333333 0.32813099770764 85.468 > 19 21 Rb 0.18803974343577 0.41666666666667 0.32813099770764 85.468 > 19 22 Rb 0.68803974343577 0.41666666666667 0.32813099770764 85.468 > 19 23 Rb 0.18803974343577 0.75000000000000 0.32813099770764 85.468 > 19 24 Rb 0.68803974343577 0.75000000000000 0.32813099770764 85.468 > 19 25 Ga 0.46874395697328 0.08333333333333 0.53539559426168 69.723 > 25 26 Ga 0.96874395697328 0.08333333333333 0.53539559426168 69.723 > 25 27 Ga 0.46874395697328 0.41666666666667 0.53539559426168 69.723 > 25 28 Ga 0.96874395697328 0.41666666666667 0.53539559426168 69.723 > 25 29 Ga 0.46874395697328 0.75000000000000 0.53539559426168 69.723 > 25 30 Ga 0.96874395697328 0.75000000000000 0.53539559426168 69.723 > 25 31 Ga 0.21874395697328 0.08333333333333 0.96460440573832 69.723 > 31 32 Ga 0.71874395697328 0.08333333333333 0.96460440573832 69.723 > 31 33 Ga 0.21874395697328 0.41666666666667 0.96460440573832 69.723 > 31 34 Ga 0.71874395697328 0.41666666666667 0.96460440573832 69.723 > 31 35 Ga 0.21874395697328 0.75000000000000 0.96460440573832 69.723 > 31 36 Ga 0.71874395697328 0.75000000000000 0.96460440573832 69.723 > 31 37 Ga 0.28125604302672 0.25000000000000 0.03539559426168 69.723 > 37 38 Ga 0.78125604302672 0.25000000000000 0.03539559426168 69.723 > 37 39 Ga 0.28125604302672 0.58333333333333 0.03539559426168 69.723 > 37 40 Ga 0.78125604302672 0.58333333333333 0.03539559426168 69.723 > 37 41 Ga 0.28125604302672 0.91666666666667 0.03539559426168 69.723 > 37 42 Ga 0.78125604302672 0.91666666666667 0.03539559426168 69.723 > 37 43 Ga 0.03125604302672 0.25000000000000 0.46460440573832 69.723 > 43 44 Ga 0.53125604302672 0.25000000000000 0.46460440573832 69.723 > 43 45 Ga 0.03125604302672 0.58333333333333 0.46460440573832 69.723 > 43 46 Ga 0.53125604302672 0.58333333333333 0.46460440573832 69.723 > 43 47 Ga 0.03125604302672 0.91666666666667 0.46460440573832 69.723 > 43 48 Ga 0.53125604302672 0.91666666666667 0.46460440573832 69.723 > 43 49 H 0.13882827981138 0.25000000000000 0.51966333075791 1.008 > 49 50 H 0.63882827981138 0.25000000000000 0.51966333075791 1.008 > 49 51 H 0.13882827981138 0.58333333333333 0.51966333075791 1.008 > 49 52 H 0.63882827981138 0.58333333333333 0.51966333075791 1.008 > 49 53 H 0.13882827981138 0.91666666666667 0.51966333075791 1.008 > 49 54 H 0.63882827981138 0.91666666666667 0.51966333075791 1.008 > 49 55 H 0.44882223790413 0.08333333333333 0.71198967331109 1.008 > 55 56 H 0.94882223790413 0.08333333333333 0.71198967331109 1.008 > 55 57 H 0.44882223790413 0.41666666666667 0.71198967331109 1.008 > 55 58 H 0.94882223790413 0.41666666666667 0.71198967331109 1.008 > 55 59 H 0.44882223790413 0.75000000000000 0.71198967331109 1.008 > 55 60 H 0.94882223790413 0.75000000000000 0.71198967331109 1.008 > 55 61 H 0.19882223790413 0.08333333333333 0.78801032668891 1.008 > 61 62 H 0.69882223790413 0.08333333333333 0.78801032668891 1.008 > 61 63 H 0.19882223790413 0.41666666666667 0.78801032668891 1.008 > 61 64 H 0.69882223790413 0.41666666666667 0.78801032668891 1.008 > 61 65 H 0.19882223790413 0.75000000000000 0.78801032668891 1.008 > 61 66 H 0.69882223790413 0.75000000000000 0.78801032668891 1.008 > 61 67 H 0.38882827981138 0.25000000000000 0.98033666924209 1.008 > 67 68 H 0.88882827981138 0.25000000000000 0.98033666924209 1.008 > 67 69 H 0.38882827981138 0.58333333333333 0.98033666924209 1.008 > 67 70 H 0.88882827981138 0.58333333333333 0.98033666924209 1.008 > 67 71 H 0.38882827981138 0.91666666666667 0.98033666924209 1.008 > 67 72 H 0.88882827981138 0.91666666666667 0.98033666924209 1.008 > 67 73 H 0.11117172018862 0.08333333333333 0.01966333075791 1.008 > 73 74 H 0.61117172018862 0.08333333333333 0.01966333075791 1.008 > 73 75 H 0.11117172018862 0.41666666666667 0.01966333075791 1.008 > 73 76 H 0.61117172018862 0.41666666666667 0.01966333075791 1.008 > 73 77 H 0.11117172018862 0.75000000000000 0.01966333075791 1.008 > 73 78 H 0.61117172018862 0.75000000000000 0.01966333075791 1.008 > 73 79 H 0.30117776209587 0.25000000000000 0.21198967331109 1.008 > 79 80 H 0.80117776209587 0.25000000000000 0.21198967331109 1.008 > 79 81 H 0.30117776209587 0.58333333333333 0.21198967331109 1.008 > 79 82 H 0.80117776209587 0.58333333333333 0.21198967331109 1.008 > 79 83 H 0.30117776209587 0.91666666666667 0.21198967331109 1.008 > 79 84 H 0.80117776209587 0.91666666666667 0.21198967331109 1.008 > 79 85 H 0.05117776209587 0.25000000000000 0.28801032668891 1.008 > 85 86 H 0.55117776209587 0.25000000000000 0.28801032668891 1.008 > 85 87 H 0.05117776209587 0.58333333333333 0.28801032668891 1.008 > 85 88 H 0.55117776209587 0.58333333333333 0.28801032668891 1.008 > 85 89 H 0.05117776209587 0.91666666666667 0.28801032668891 1.008 > 85 90 H 0.55117776209587 0.91666666666667 0.28801032668891 1.008 > 85 91 H 0.36117172018862 0.08333333333333 0.48033666924209 1.008 > 91 92 H 0.86117172018862 0.08333333333333 0.48033666924209 1.008 > 91 93 H 0.36117172018862 0.41666666666667 0.48033666924209 1.008 > 91 94 H 0.86117172018862 0.41666666666667 0.48033666924209 1.008 > 91 95 H 0.36117172018862 0.75000000000000 0.48033666924209 1.008 > 91 96 H 0.86117172018862 0.75000000000000 0.48033666924209 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8989997 0.0000000 0.0000000 0.0000000 16.4326019 0.0000000 0.0000000 0.0000000 3.7885779 -------------------------- Born effective charges -------------------------- 1 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 2 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 3 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 4 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 5 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 6 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 7 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 8 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 9 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 10 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 11 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 12 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 13 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 14 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 15 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 16 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-09 04:36:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:36:27]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381234380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.462249479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): 1 Rb 0.62392051312846 0.75000000000000 0.67186900229236 85.468 2 Rb 0.12392051312846 0.75000000000000 0.82813099770764 85.468 3 Rb 0.87607948687154 0.25000000000000 0.17186900229236 85.468 4 Rb 0.37607948687154 0.25000000000000 0.32813099770764 85.468 5 Ga 0.93748791394655 0.25000000000000 0.53539559426168 69.723 6 Ga 0.43748791394655 0.25000000000000 0.96460440573832 69.723 7 Ga 0.56251208605345 0.75000000000000 0.03539559426168 69.723 8 Ga 0.06251208605345 0.75000000000000 0.46460440573832 69.723 9 H 0.27765655962275 0.75000000000000 0.51966333075791 1.008 10 H 0.89764447580826 0.25000000000000 0.71198967331109 1.008 11 H 0.39764447580826 0.25000000000000 0.78801032668891 1.008 12 H 0.77765655962275 0.75000000000000 0.98033666924209 1.008 13 H 0.22234344037725 0.25000000000000 0.01966333075791 1.008 14 H 0.60235552419174 0.75000000000000 0.21198967331109 1.008 15 H 0.10235552419174 0.75000000000000 0.28801032668891 1.008 16 H 0.72234344037725 0.25000000000000 0.48033666924209 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.762468760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.386748439999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.194169840000001 Atomic positions (fractional): 1 Rb 0.31196025656423 0.25000000000000 0.67186900229236 85.468 > 1 2 Rb 0.81196025656423 0.25000000000000 0.67186900229236 85.468 > 1 3 Rb 0.31196025656423 0.58333333333333 0.67186900229236 85.468 > 1 4 Rb 0.81196025656423 0.58333333333333 0.67186900229236 85.468 > 1 5 Rb 0.31196025656423 0.91666666666667 0.67186900229236 85.468 > 1 6 Rb 0.81196025656423 0.91666666666667 0.67186900229236 85.468 > 1 7 Rb 0.06196025656423 0.25000000000000 0.82813099770764 85.468 > 7 8 Rb 0.56196025656423 0.25000000000000 0.82813099770764 85.468 > 7 9 Rb 0.06196025656423 0.58333333333333 0.82813099770764 85.468 > 7 10 Rb 0.56196025656423 0.58333333333333 0.82813099770764 85.468 > 7 11 Rb 0.06196025656423 0.91666666666667 0.82813099770764 85.468 > 7 12 Rb 0.56196025656423 0.91666666666667 0.82813099770764 85.468 > 7 13 Rb 0.43803974343577 0.08333333333333 0.17186900229236 85.468 > 13 14 Rb 0.93803974343577 0.08333333333333 0.17186900229236 85.468 > 13 15 Rb 0.43803974343577 0.41666666666667 0.17186900229236 85.468 > 13 16 Rb 0.93803974343577 0.41666666666667 0.17186900229236 85.468 > 13 17 Rb 0.43803974343577 0.75000000000000 0.17186900229236 85.468 > 13 18 Rb 0.93803974343577 0.75000000000000 0.17186900229236 85.468 > 13 19 Rb 0.18803974343577 0.08333333333333 0.32813099770764 85.468 > 19 20 Rb 0.68803974343577 0.08333333333333 0.32813099770764 85.468 > 19 21 Rb 0.18803974343577 0.41666666666667 0.32813099770764 85.468 > 19 22 Rb 0.68803974343577 0.41666666666667 0.32813099770764 85.468 > 19 23 Rb 0.18803974343577 0.75000000000000 0.32813099770764 85.468 > 19 24 Rb 0.68803974343577 0.75000000000000 0.32813099770764 85.468 > 19 25 Ga 0.46874395697328 0.08333333333333 0.53539559426168 69.723 > 25 26 Ga 0.96874395697328 0.08333333333333 0.53539559426168 69.723 > 25 27 Ga 0.46874395697328 0.41666666666667 0.53539559426168 69.723 > 25 28 Ga 0.96874395697328 0.41666666666667 0.53539559426168 69.723 > 25 29 Ga 0.46874395697328 0.75000000000000 0.53539559426168 69.723 > 25 30 Ga 0.96874395697328 0.75000000000000 0.53539559426168 69.723 > 25 31 Ga 0.21874395697328 0.08333333333333 0.96460440573832 69.723 > 31 32 Ga 0.71874395697328 0.08333333333333 0.96460440573832 69.723 > 31 33 Ga 0.21874395697328 0.41666666666667 0.96460440573832 69.723 > 31 34 Ga 0.71874395697328 0.41666666666667 0.96460440573832 69.723 > 31 35 Ga 0.21874395697328 0.75000000000000 0.96460440573832 69.723 > 31 36 Ga 0.71874395697328 0.75000000000000 0.96460440573832 69.723 > 31 37 Ga 0.28125604302672 0.25000000000000 0.03539559426168 69.723 > 37 38 Ga 0.78125604302672 0.25000000000000 0.03539559426168 69.723 > 37 39 Ga 0.28125604302672 0.58333333333333 0.03539559426168 69.723 > 37 40 Ga 0.78125604302672 0.58333333333333 0.03539559426168 69.723 > 37 41 Ga 0.28125604302672 0.91666666666667 0.03539559426168 69.723 > 37 42 Ga 0.78125604302672 0.91666666666667 0.03539559426168 69.723 > 37 43 Ga 0.03125604302672 0.25000000000000 0.46460440573832 69.723 > 43 44 Ga 0.53125604302672 0.25000000000000 0.46460440573832 69.723 > 43 45 Ga 0.03125604302672 0.58333333333333 0.46460440573832 69.723 > 43 46 Ga 0.53125604302672 0.58333333333333 0.46460440573832 69.723 > 43 47 Ga 0.03125604302672 0.91666666666667 0.46460440573832 69.723 > 43 48 Ga 0.53125604302672 0.91666666666667 0.46460440573832 69.723 > 43 49 H 0.13882827981138 0.25000000000000 0.51966333075791 1.008 > 49 50 H 0.63882827981138 0.25000000000000 0.51966333075791 1.008 > 49 51 H 0.13882827981138 0.58333333333333 0.51966333075791 1.008 > 49 52 H 0.63882827981138 0.58333333333333 0.51966333075791 1.008 > 49 53 H 0.13882827981138 0.91666666666667 0.51966333075791 1.008 > 49 54 H 0.63882827981138 0.91666666666667 0.51966333075791 1.008 > 49 55 H 0.44882223790413 0.08333333333333 0.71198967331109 1.008 > 55 56 H 0.94882223790413 0.08333333333333 0.71198967331109 1.008 > 55 57 H 0.44882223790413 0.41666666666667 0.71198967331109 1.008 > 55 58 H 0.94882223790413 0.41666666666667 0.71198967331109 1.008 > 55 59 H 0.44882223790413 0.75000000000000 0.71198967331109 1.008 > 55 60 H 0.94882223790413 0.75000000000000 0.71198967331109 1.008 > 55 61 H 0.19882223790413 0.08333333333333 0.78801032668891 1.008 > 61 62 H 0.69882223790413 0.08333333333333 0.78801032668891 1.008 > 61 63 H 0.19882223790413 0.41666666666667 0.78801032668891 1.008 > 61 64 H 0.69882223790413 0.41666666666667 0.78801032668891 1.008 > 61 65 H 0.19882223790413 0.75000000000000 0.78801032668891 1.008 > 61 66 H 0.69882223790413 0.75000000000000 0.78801032668891 1.008 > 61 67 H 0.38882827981138 0.25000000000000 0.98033666924209 1.008 > 67 68 H 0.88882827981138 0.25000000000000 0.98033666924209 1.008 > 67 69 H 0.38882827981138 0.58333333333333 0.98033666924209 1.008 > 67 70 H 0.88882827981138 0.58333333333333 0.98033666924209 1.008 > 67 71 H 0.38882827981138 0.91666666666667 0.98033666924209 1.008 > 67 72 H 0.88882827981138 0.91666666666667 0.98033666924209 1.008 > 67 73 H 0.11117172018862 0.08333333333333 0.01966333075791 1.008 > 73 74 H 0.61117172018862 0.08333333333333 0.01966333075791 1.008 > 73 75 H 0.11117172018862 0.41666666666667 0.01966333075791 1.008 > 73 76 H 0.61117172018862 0.41666666666667 0.01966333075791 1.008 > 73 77 H 0.11117172018862 0.75000000000000 0.01966333075791 1.008 > 73 78 H 0.61117172018862 0.75000000000000 0.01966333075791 1.008 > 73 79 H 0.30117776209587 0.25000000000000 0.21198967331109 1.008 > 79 80 H 0.80117776209587 0.25000000000000 0.21198967331109 1.008 > 79 81 H 0.30117776209587 0.58333333333333 0.21198967331109 1.008 > 79 82 H 0.80117776209587 0.58333333333333 0.21198967331109 1.008 > 79 83 H 0.30117776209587 0.91666666666667 0.21198967331109 1.008 > 79 84 H 0.80117776209587 0.91666666666667 0.21198967331109 1.008 > 79 85 H 0.05117776209587 0.25000000000000 0.28801032668891 1.008 > 85 86 H 0.55117776209587 0.25000000000000 0.28801032668891 1.008 > 85 87 H 0.05117776209587 0.58333333333333 0.28801032668891 1.008 > 85 88 H 0.55117776209587 0.58333333333333 0.28801032668891 1.008 > 85 89 H 0.05117776209587 0.91666666666667 0.28801032668891 1.008 > 85 90 H 0.55117776209587 0.91666666666667 0.28801032668891 1.008 > 85 91 H 0.36117172018862 0.08333333333333 0.48033666924209 1.008 > 91 92 H 0.86117172018862 0.08333333333333 0.48033666924209 1.008 > 91 93 H 0.36117172018862 0.41666666666667 0.48033666924209 1.008 > 91 94 H 0.86117172018862 0.41666666666667 0.48033666924209 1.008 > 91 95 H 0.36117172018862 0.75000000000000 0.48033666924209 1.008 > 91 96 H 0.86117172018862 0.75000000000000 0.48033666924209 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8989997 0.0000000 0.0000000 0.0000000 16.4326019 0.0000000 0.0000000 0.0000000 3.7885779 -------------------------- Born effective charges -------------------------- 1 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 2 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 3 Rb 1.1707410 0.0000000 0.2393521 0.0000000 1.2249490 0.0000000 0.3023630 0.0000000 1.2285375 4 Rb 1.1707410 0.0000000 -0.2393521 0.0000000 1.2249490 0.0000000 -0.3023630 0.0000000 1.2285375 5 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 6 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 7 Ga 0.6105616 0.0000000 0.0484861 0.0000000 -0.4663865 0.0000000 0.0265034 0.0000000 0.4450208 8 Ga 0.6105616 0.0000000 -0.0484861 0.0000000 -0.4663865 0.0000000 -0.0265034 0.0000000 0.4450208 9 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 10 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 11 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 12 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 13 H -1.2584417 0.0000000 0.1574996 0.0000000 -0.3211304 0.0000000 0.1644613 0.0000000 -0.5659382 14 H -0.5228609 0.0000000 -0.1474745 0.0000000 -0.4374321 0.0000000 -0.1874159 0.0000000 -1.1076201 15 H -0.5228609 0.0000000 0.1474745 0.0000000 -0.4374321 0.0000000 0.1874159 0.0000000 -1.1076201 16 H -1.2584417 0.0000000 -0.1574996 0.0000000 -0.3211304 0.0000000 -0.1644613 0.0000000 -0.5659382 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 11 5 ] 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: 0.62, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 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 1.415 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 14.753 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.231 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 19.735 ( 0.000 0.000 0.000) 0.000 20.267 ( 0.000 0.000 0.000) 0.000 20.356 ( 0.000 0.000 0.000) 0.000 22.824 ( 0.000 0.000 0.000) 0.000 22.941 ( 0.000 0.000 0.000) 0.000 23.025 ( 0.000 0.000 0.000) 0.000 23.543 ( 0.000 0.000 0.000) 0.000 43.542 ( 0.000 0.000 0.000) 0.000 43.590 ( 0.000 0.000 0.000) 0.000 44.651 ( 0.000 0.000 0.000) 0.000 44.899 ( 0.000 0.000 0.000) 0.000 45.470 ( 0.000 0.000 0.000) 0.000 45.852 ( 0.000 0.000 0.000) 0.000 46.626 ( 0.000 0.000 0.000) 0.000 46.811 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 18.584 0.000 0.000) 18.584 0.374 ( 18.719 0.000 0.000) 18.719 0.546 ( 27.717 0.000 0.000) 27.717 1.415 ( -0.288 0.000 0.000) 0.288 1.453 ( -5.466 0.000 0.000) 5.466 1.686 ( 0.403 0.000 0.000) 0.403 1.880 ( 4.455 0.000 0.000) 4.455 1.931 ( -3.232 0.000 0.000) 3.232 2.012 ( -1.541 0.000 0.000) 1.541 2.303 ( -6.808 0.000 0.000) 6.808 2.359 ( 2.684 0.000 0.000) 2.684 2.385 ( -3.297 0.000 0.000) 3.297 2.468 ( -2.609 0.000 0.000) 2.609 2.584 ( -0.673 0.000 0.000) 0.673 2.661 ( 6.058 0.000 0.000) 6.058 2.904 ( 1.696 0.000 0.000) 1.696 3.276 ( -2.542 0.000 0.000) 2.542 3.476 ( -3.239 0.000 0.000) 3.239 4.204 ( 0.600 0.000 0.000) 0.600 4.250 ( 0.057 0.000 0.000) 0.057 5.870 ( 0.088 0.000 0.000) 0.088 5.882 ( 0.232 0.000 0.000) 0.232 7.671 ( 0.180 0.000 0.000) 0.180 7.688 ( -0.007 0.000 0.000) 0.007 11.731 ( 3.306 0.000 0.000) 3.306 11.906 ( -1.888 0.000 0.000) 1.888 13.365 ( 2.958 0.000 0.000) 2.958 13.625 ( -1.433 0.000 0.000) 1.433 14.767 ( 1.472 0.000 0.000) 1.472 14.990 ( 0.671 0.000 0.000) 0.671 15.239 ( 0.855 0.000 0.000) 0.855 15.308 ( -0.800 0.000 0.000) 0.800 19.697 ( 0.588 0.000 0.000) 0.588 19.732 ( -0.312 0.000 0.000) 0.312 20.269 ( 0.199 0.000 0.000) 0.199 20.348 ( -0.775 0.000 0.000) 0.775 22.944 ( 0.452 0.000 0.000) 0.452 23.030 ( 0.487 0.000 0.000) 0.487 23.578 ( 3.299 0.000 0.000) 3.299 23.942 ( -1.628 0.000 0.000) 1.628 43.623 ( 8.093 0.000 0.000) 8.093 44.619 ( -3.391 0.000 0.000) 3.391 44.937 ( 3.945 0.000 0.000) 3.945 45.512 ( 4.152 0.000 0.000) 4.152 45.729 ( -3.453 0.000 0.000) 3.453 46.134 ( -4.328 0.000 0.000) 4.328 46.643 ( 1.625 0.000 0.000) 1.625 46.804 ( -0.686 0.000 0.000) 0.686 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 16.988 0.000 0.000) 16.988 0.713 ( 16.018 0.000 0.000) 16.018 1.052 ( 23.084 0.000 0.000) 23.084 1.341 ( -4.589 0.000 0.000) 4.589 1.383 ( -3.802 0.000 0.000) 3.802 1.686 ( -0.415 0.000 0.000) 0.415 1.873 ( -2.043 0.000 0.000) 2.043 1.967 ( 3.571 0.000 0.000) 3.571 1.971 ( -2.689 0.000 0.000) 2.689 2.169 ( -5.658 0.000 0.000) 5.658 2.288 ( -7.008 0.000 0.000) 7.008 2.388 ( -5.791 0.000 0.000) 5.791 2.419 ( 3.290 0.000 0.000) 3.290 2.564 ( -1.412 0.000 0.000) 1.412 2.788 ( 6.781 0.000 0.000) 6.781 2.951 ( 3.026 0.000 0.000) 3.026 3.216 ( -3.137 0.000 0.000) 3.137 3.390 ( -5.440 0.000 0.000) 5.440 4.219 ( 0.889 0.000 0.000) 0.889 4.250 ( -0.048 0.000 0.000) 0.048 5.874 ( 0.287 0.000 0.000) 0.287 5.887 ( 0.138 0.000 0.000) 0.138 7.675 ( 0.282 0.000 0.000) 0.282 7.688 ( -0.067 0.000 0.000) 0.067 11.801 ( 3.306 0.000 0.000) 3.306 11.871 ( -1.416 0.000 0.000) 1.416 13.433 ( 3.682 0.000 0.000) 3.682 13.590 ( -2.088 0.000 0.000) 2.088 14.810 ( 2.934 0.000 0.000) 2.934 14.991 ( -0.946 0.000 0.000) 0.946 15.261 ( 1.215 0.000 0.000) 1.215 15.294 ( -0.444 0.000 0.000) 0.444 19.709 ( 0.611 0.000 0.000) 0.611 19.725 ( -0.306 0.000 0.000) 0.306 20.275 ( 0.463 0.000 0.000) 0.463 20.329 ( -1.164 0.000 0.000) 1.164 22.963 ( 1.501 0.000 0.000) 1.501 23.038 ( 0.105 0.000 0.000) 0.105 23.658 ( 4.622 0.000 0.000) 4.622 23.897 ( -2.999 0.000 0.000) 2.999 43.835 ( 13.081 0.000 0.000) 13.081 44.518 ( -7.127 0.000 0.000) 7.127 45.052 ( 7.851 0.000 0.000) 7.851 45.619 ( 6.578 0.000 0.000) 6.578 45.624 ( -7.454 0.000 0.000) 7.454 46.025 ( -6.538 0.000 0.000) 6.538 46.682 ( 2.234 0.000 0.000) 2.234 46.786 ( -1.176 0.000 0.000) 1.176 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 11.535 0.000 0.000) 11.535 1.016 ( 14.193 0.000 0.000) 14.193 1.160 ( -6.871 0.000 0.000) 6.871 1.251 ( -9.748 0.000 0.000) 9.748 1.520 ( 15.769 0.000 0.000) 15.769 1.672 ( -1.653 0.000 0.000) 1.653 1.868 ( 1.430 0.000 0.000) 1.430 1.914 ( -2.943 0.000 0.000) 2.943 1.981 ( 0.211 0.000 0.000) 0.211 2.106 ( -10.943 0.000 0.000) 10.943 2.157 ( 4.045 0.000 0.000) 4.045 2.264 ( -6.350 0.000 0.000) 6.350 2.480 ( 2.907 0.000 0.000) 2.907 2.529 ( -2.197 0.000 0.000) 2.197 2.913 ( 5.778 0.000 0.000) 5.778 2.987 ( -0.883 0.000 0.000) 0.883 3.190 ( 1.768 0.000 0.000) 1.768 3.276 ( -5.892 0.000 0.000) 5.892 4.236 ( 0.747 0.000 0.000) 0.747 4.247 ( -0.368 0.000 0.000) 0.368 5.880 ( 0.377 0.000 0.000) 0.377 5.886 ( -0.181 0.000 0.000) 0.181 7.681 ( 0.271 0.000 0.000) 0.271 7.685 ( -0.175 0.000 0.000) 0.175 11.845 ( 1.181 0.000 0.000) 1.181 11.856 ( -0.335 0.000 0.000) 0.335 13.498 ( 2.932 0.000 0.000) 2.932 13.548 ( -2.293 0.000 0.000) 2.293 14.877 ( 3.831 0.000 0.000) 3.831 14.949 ( -3.253 0.000 0.000) 3.253 15.281 ( 0.803 0.000 0.000) 0.803 15.290 ( -0.148 0.000 0.000) 0.148 19.718 ( 0.271 0.000 0.000) 0.271 19.721 ( -0.148 0.000 0.000) 0.148 20.287 ( 0.801 0.000 0.000) 0.801 20.306 ( -1.107 0.000 0.000) 1.107 22.998 ( 1.932 0.000 0.000) 1.932 23.029 ( -1.087 0.000 0.000) 1.087 23.747 ( 4.495 0.000 0.000) 4.495 23.829 ( -3.913 0.000 0.000) 3.913 44.100 ( 13.645 0.000 0.000) 13.645 44.342 ( -10.964 0.000 0.000) 10.964 45.234 ( 10.630 0.000 0.000) 10.630 45.445 ( -10.595 0.000 0.000) 10.595 45.755 ( 7.192 0.000 0.000) 7.192 45.893 ( -7.040 0.000 0.000) 7.040 46.724 ( 2.022 0.000 0.000) 2.022 46.759 ( -1.577 0.000 0.000) 1.577 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 15.587 0.000) 15.587 0.365 ( 0.000 19.005 0.000) 19.005 0.866 ( 0.000 40.284 0.000) 40.284 1.481 ( 0.000 2.071 0.000) 2.071 1.567 ( 0.000 -7.384 0.000) 7.384 1.581 ( 0.000 13.443 0.000) 13.443 1.817 ( 0.000 -0.994 0.000) 0.994 2.015 ( 0.000 -1.477 0.000) 1.477 2.070 ( 0.000 6.803 0.000) 6.803 2.325 ( 0.000 -1.681 0.000) 1.681 2.361 ( 0.000 -2.144 0.000) 2.144 2.451 ( 0.000 3.245 0.000) 3.245 2.538 ( 0.000 4.507 0.000) 4.507 2.641 ( 0.000 5.701 0.000) 5.701 2.808 ( 0.000 7.486 0.000) 7.486 2.882 ( 0.000 2.300 0.000) 2.300 3.012 ( 0.000 -2.141 0.000) 2.141 3.273 ( 0.000 -2.639 0.000) 2.639 4.143 ( 0.000 -5.154 0.000) 5.154 4.180 ( 0.000 -6.647 0.000) 6.647 5.776 ( 0.000 -8.482 0.000) 8.482 5.787 ( 0.000 -8.518 0.000) 8.518 7.617 ( 0.000 -5.106 0.000) 5.106 7.635 ( 0.000 -5.247 0.000) 5.247 11.605 ( 0.000 -5.412 0.000) 5.412 11.671 ( 0.000 -1.678 0.000) 1.678 13.196 ( 0.000 -12.064 0.000) 12.064 13.375 ( 0.000 -21.381 0.000) 21.381 15.179 ( 0.000 15.431 0.000) 15.431 15.382 ( 0.000 27.197 0.000) 27.197 15.585 ( 0.000 25.221 0.000) 25.221 15.647 ( 0.000 37.331 0.000) 37.331 19.621 ( 0.000 -6.462 0.000) 6.462 19.679 ( 0.000 -5.634 0.000) 5.634 20.216 ( 0.000 -4.849 0.000) 4.849 20.312 ( 0.000 -4.533 0.000) 4.533 22.793 ( 0.000 -2.236 0.000) 2.236 22.899 ( 0.000 -3.576 0.000) 3.576 23.004 ( 0.000 -1.793 0.000) 1.793 23.462 ( 0.000 -7.021 0.000) 7.021 43.522 ( 0.000 -1.425 0.000) 1.425 43.583 ( 0.000 0.102 0.000) 0.102 44.620 ( 0.000 -2.766 0.000) 2.766 44.877 ( 0.000 -1.671 0.000) 1.671 45.293 ( 0.000 -14.523 0.000) 14.523 45.770 ( 0.000 -7.074 0.000) 7.074 46.483 ( 0.000 -26.281 0.000) 26.281 46.510 ( 0.000 -10.162 0.000) 10.162 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 13.914 8.449 0.000) 16.278 0.548 ( 15.255 11.359 0.000) 19.019 0.996 ( 12.411 34.578 0.000) 36.738 1.441 ( -4.004 1.361 0.000) 4.229 1.550 ( -1.064 0.685 0.000) 1.266 1.616 ( 2.421 6.272 0.000) 6.723 1.864 ( 4.248 -0.944 0.000) 4.351 2.010 ( -0.508 -1.580 0.000) 1.660 2.026 ( -4.013 6.184 0.000) 7.372 2.297 ( -5.786 0.057 0.000) 5.786 2.320 ( -1.001 -2.609 0.000) 2.795 2.453 ( 0.319 4.545 0.000) 4.556 2.516 ( -2.324 4.496 0.000) 5.061 2.666 ( 1.084 4.198 0.000) 4.336 2.783 ( 0.051 9.987 0.000) 9.987 2.896 ( 1.416 1.846 0.000) 2.327 3.105 ( 6.114 -10.460 0.000) 12.116 3.248 ( -2.405 -2.462 0.000) 3.442 4.148 ( 0.488 -5.245 0.000) 5.268 4.175 ( -0.368 -6.615 0.000) 6.625 5.776 ( 0.005 -8.532 0.000) 8.532 5.783 ( -0.227 -8.546 0.000) 8.549 7.619 ( 0.216 -5.077 0.000) 5.081 7.636 ( 0.140 -5.184 0.000) 5.186 11.629 ( 1.985 -8.672 0.000) 8.896 11.692 ( 1.845 -2.946 0.000) 3.476 13.218 ( 2.132 -12.816 0.000) 12.992 13.369 ( -0.571 -20.744 0.000) 20.752 15.181 ( 0.068 15.446 0.000) 15.446 15.342 ( -4.505 31.043 0.000) 31.368 15.581 ( -4.195 34.635 0.000) 34.889 15.589 ( 0.383 25.913 0.000) 25.916 19.638 ( 1.534 -5.521 0.000) 5.730 19.668 ( -1.011 -6.354 0.000) 6.434 20.220 ( 0.367 -4.691 0.000) 4.705 20.303 ( -0.842 -4.610 0.000) 4.687 22.901 ( 0.394 -3.620 0.000) 3.642 22.966 ( 6.124 -8.470 0.000) 10.452 23.067 ( 12.884 -13.304 0.000) 18.520 23.487 ( 2.290 -7.745 0.000) 8.077 43.599 ( 7.714 -1.788 0.000) 7.918 44.014 ( 36.539 -34.124 0.000) 49.995 44.586 ( -3.503 -2.947 0.000) 4.578 44.912 ( 3.703 -1.915 0.000) 4.169 45.314 ( 1.870 -16.073 0.000) 16.181 45.723 ( -4.772 -6.956 0.000) 8.435 46.483 ( 0.024 -25.746 0.000) 25.746 46.510 ( -0.009 -10.884 0.000) 10.884 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 14.360 3.382 0.000) 14.753 0.863 ( 16.174 7.701 0.000) 17.914 1.274 ( 10.070 18.837 0.000) 21.360 1.357 ( 0.357 5.708 0.000) 5.719 1.513 ( -3.378 3.114 0.000) 4.595 1.655 ( 1.120 6.542 0.000) 6.637 1.939 ( 2.117 -0.979 0.000) 2.332 1.948 ( -2.908 4.637 0.000) 5.473 2.016 ( 2.400 0.029 0.000) 2.400 2.169 ( -6.696 2.287 0.000) 7.075 2.273 ( -3.867 -1.854 0.000) 4.288 2.416 ( -6.690 5.189 0.000) 8.467 2.489 ( 1.734 4.193 0.000) 4.538 2.649 ( -2.201 5.747 0.000) 6.154 2.840 ( 4.802 5.947 0.000) 7.643 2.938 ( 2.836 0.844 0.000) 2.959 3.178 ( 1.063 -12.130 0.000) 12.177 3.189 ( -3.389 -2.245 0.000) 4.065 4.160 ( 0.595 -5.572 0.000) 5.603 4.170 ( -0.058 -6.808 0.000) 6.808 5.777 ( 0.103 -8.704 0.000) 8.704 5.781 ( -0.001 -8.936 0.000) 8.936 7.625 ( 0.352 -4.990 0.000) 5.002 7.638 ( 0.027 -4.983 0.000) 4.983 11.668 ( 1.986 -10.662 0.000) 10.845 11.727 ( 1.357 -5.710 0.000) 5.869 13.267 ( 2.559 -14.460 0.000) 14.685 13.355 ( -0.866 -19.268 0.000) 19.288 15.173 ( -1.030 15.971 0.000) 16.004 15.230 ( -5.716 31.500 0.000) 32.014 15.544 ( 0.076 27.074 0.000) 27.074 15.596 ( 0.217 26.725 0.000) 26.726 19.651 ( -0.448 -7.253 0.000) 7.267 19.666 ( 1.040 -4.212 0.000) 4.338 20.229 ( 0.581 -4.435 0.000) 4.473 20.282 ( -1.165 -4.663 0.000) 4.806 22.919 ( 1.449 -3.693 0.000) 3.967 22.996 ( 0.126 -3.435 0.000) 3.437 23.359 ( 12.237 -26.550 0.000) 29.235 23.535 ( 2.259 -10.075 0.000) 10.325 43.802 ( 12.580 -2.631 0.000) 12.852 44.476 ( -6.904 -4.198 0.000) 8.081 44.703 ( 29.510 -55.515 0.000) 62.871 45.020 ( 7.411 -2.606 0.000) 7.856 45.346 ( 0.789 -21.436 0.000) 21.450 45.591 ( -8.680 -6.416 0.000) 10.794 46.485 ( 0.186 -24.037 0.000) 24.037 46.508 ( -0.240 -13.156 0.000) 13.158 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 11.172 1.714 0.000) 11.303 1.126 ( 5.048 5.023 0.000) 7.122 1.222 ( 0.777 4.879 0.000) 4.940 1.397 ( -8.819 6.659 0.000) 11.050 1.574 ( 9.070 9.310 0.000) 12.998 1.654 ( -1.141 4.673 0.000) 4.810 1.944 ( 2.349 4.407 0.000) 4.994 1.983 ( 3.762 1.851 0.000) 4.193 2.032 ( -2.511 8.502 0.000) 8.865 2.125 ( 4.604 -2.373 0.000) 5.180 2.163 ( -8.279 4.412 0.000) 9.381 2.250 ( -8.450 0.957 0.000) 8.504 2.540 ( 3.004 4.758 0.000) 5.627 2.598 ( -2.912 5.467 0.000) 6.194 2.936 ( 4.523 3.090 0.000) 5.478 2.983 ( 0.568 0.798 0.000) 0.980 3.138 ( -1.000 -3.891 0.000) 4.018 3.160 ( -2.126 -8.318 0.000) 8.586 4.169 ( 0.295 -6.140 0.000) 6.147 4.171 ( 0.030 -6.695 0.000) 6.695 5.780 ( 0.134 -8.968 0.000) 8.969 5.781 ( -0.019 -9.132 0.000) 9.132 7.632 ( 0.341 -4.882 0.000) 4.894 7.637 ( -0.183 -4.853 0.000) 4.856 11.707 ( 1.897 -9.903 0.000) 10.083 11.734 ( -0.672 -8.227 0.000) 8.255 13.310 ( 1.777 -16.126 0.000) 16.223 13.336 ( -1.082 -17.661 0.000) 17.694 15.149 ( -0.961 18.376 0.000) 18.401 15.154 ( -1.891 24.020 0.000) 24.095 15.564 ( 1.508 25.230 0.000) 25.275 15.590 ( -0.949 26.068 0.000) 26.085 19.655 ( 0.793 -6.424 0.000) 6.473 19.671 ( -0.513 -4.630 0.000) 4.659 20.243 ( 0.793 -4.420 0.000) 4.491 20.260 ( -1.054 -4.565 0.000) 4.685 22.954 ( 1.942 -3.710 0.000) 4.187 22.986 ( -1.194 -3.570 0.000) 3.764 23.517 ( 4.654 -20.903 0.000) 21.415 23.559 ( -0.085 -14.404 0.000) 14.405 44.059 ( 13.371 -3.391 0.000) 13.794 44.299 ( -11.024 -3.659 0.000) 11.615 45.133 ( 15.091 -46.642 0.000) 49.022 45.193 ( 10.146 -3.586 0.000) 10.761 45.316 ( -4.684 -32.134 0.000) 32.473 45.400 ( -10.709 -5.391 0.000) 11.990 46.491 ( 0.444 -20.935 0.000) 20.939 46.501 ( -0.498 -16.852 0.000) 16.859 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 19.001 0.000) 19.001 0.770 ( 0.000 20.275 0.000) 20.275 1.464 ( 0.000 -1.709 0.000) 1.709 1.561 ( 0.000 6.003 0.000) 6.003 1.589 ( 0.000 28.773 0.000) 28.773 1.798 ( 0.000 0.070 0.000) 0.070 1.843 ( 0.000 10.536 0.000) 10.536 1.968 ( 0.000 -2.681 0.000) 2.681 2.198 ( 0.000 5.968 0.000) 5.968 2.283 ( 0.000 -1.543 0.000) 1.543 2.315 ( 0.000 -2.069 0.000) 2.069 2.453 ( 0.000 -3.141 0.000) 3.141 2.674 ( 0.000 8.428 0.000) 8.428 2.765 ( 0.000 4.759 0.000) 4.759 2.993 ( 0.000 1.741 0.000) 1.741 3.027 ( 0.000 13.612 0.000) 13.612 3.103 ( 0.000 18.401 0.000) 18.401 3.206 ( 0.000 -3.652 0.000) 3.652 3.992 ( 0.000 -11.284 0.000) 11.284 4.001 ( 0.000 -8.439 0.000) 8.439 5.568 ( 0.000 -10.531 0.000) 10.531 5.577 ( 0.000 -10.693 0.000) 10.693 7.461 ( 0.000 -10.130 0.000) 10.130 7.474 ( 0.000 -10.479 0.000) 10.479 11.542 ( 0.000 0.404 0.000) 0.404 11.662 ( 0.000 1.390 0.000) 1.390 12.908 ( 0.000 -15.002 0.000) 15.002 12.912 ( 0.000 -22.188 0.000) 22.188 15.561 ( 0.000 22.259 0.000) 22.259 15.989 ( 0.000 32.868 0.000) 32.868 16.227 ( 0.000 35.362 0.000) 35.362 16.732 ( 0.000 62.364 0.000) 62.364 19.458 ( 0.000 -8.433 0.000) 8.433 19.499 ( 0.000 -12.204 0.000) 12.204 20.073 ( 0.000 -9.280 0.000) 9.280 20.162 ( 0.000 -10.333 0.000) 10.333 22.770 ( 0.000 0.466 0.000) 0.466 22.827 ( 0.000 -2.646 0.000) 2.646 22.966 ( 0.000 -1.594 0.000) 1.594 23.312 ( 0.000 -6.485 0.000) 6.485 43.521 ( 0.000 2.290 0.000) 2.290 43.637 ( 0.000 6.050 0.000) 6.050 44.561 ( 0.000 -2.417 0.000) 2.417 44.868 ( 0.000 1.849 0.000) 1.849 45.014 ( 0.000 -10.660 0.000) 10.660 45.611 ( 0.000 -7.602 0.000) 7.602 46.007 ( 0.000 -16.421 0.000) 16.421 46.281 ( 0.000 -10.914 0.000) 10.914 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 6.770 15.909 0.000) 17.290 0.841 ( 7.162 16.657 0.000) 18.132 1.473 ( 0.762 -1.474 0.000) 1.659 1.506 ( -4.554 5.604 0.000) 7.221 1.655 ( 5.773 25.624 0.000) 26.267 1.858 ( 5.233 1.725 0.000) 5.510 1.866 ( 2.235 10.605 0.000) 10.838 1.964 ( -0.095 -2.104 0.000) 2.106 2.140 ( -5.216 5.110 0.000) 7.302 2.279 ( -0.891 -0.612 0.000) 1.081 2.290 ( -2.370 -0.684 0.000) 2.466 2.466 ( 1.272 -3.389 0.000) 3.620 2.653 ( -2.242 8.672 0.000) 8.958 2.762 ( -0.557 3.835 0.000) 3.876 3.009 ( 1.426 0.356 0.000) 1.470 3.029 ( 0.408 14.153 0.000) 14.159 3.097 ( -0.630 15.416 0.000) 15.429 3.195 ( -1.059 -0.711 0.000) 1.276 3.991 ( -0.116 -11.044 0.000) 11.045 4.004 ( 0.236 -8.582 0.000) 8.585 5.568 ( -0.033 -10.505 0.000) 10.505 5.574 ( -0.220 -10.623 0.000) 10.625 7.464 ( 0.275 -10.110 0.000) 10.114 7.477 ( 0.268 -10.427 0.000) 10.430 11.544 ( 0.237 0.166 0.000) 0.290 11.656 ( -0.600 0.257 0.000) 0.652 12.913 ( 0.508 -15.859 0.000) 15.867 12.919 ( 0.584 -21.690 0.000) 21.697 15.572 ( 0.989 22.815 0.000) 22.837 15.966 ( -2.319 32.465 0.000) 32.548 16.240 ( 1.042 35.572 0.000) 35.587 16.592 ( -12.876 58.223 0.000) 59.629 19.472 ( -2.388 -12.902 0.000) 13.121 19.494 ( 3.049 -7.799 0.000) 8.374 20.081 ( 0.740 -9.032 0.000) 9.062 20.151 ( -0.976 -10.458 0.000) 10.504 22.830 ( 0.386 -2.597 0.000) 2.625 22.844 ( 6.748 -1.714 0.000) 6.962 22.971 ( 0.771 -2.149 0.000) 2.283 23.325 ( 1.072 -6.830 0.000) 6.913 43.588 ( 6.763 1.711 0.000) 6.976 43.781 ( 14.069 1.344 0.000) 14.133 44.524 ( -3.799 -2.456 0.000) 4.524 44.893 ( 2.520 0.557 0.000) 2.581 45.016 ( -0.149 -10.360 0.000) 10.361 45.570 ( -4.098 -7.208 0.000) 8.292 46.016 ( 0.997 -16.149 0.000) 16.180 46.269 ( -1.189 -11.180 0.000) 11.243 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 10.011 10.656 0.000) 14.621 1.029 ( 11.553 9.905 0.000) 15.218 1.401 ( -6.193 5.383 0.000) 8.205 1.478 ( -0.709 -0.693 0.000) 0.991 1.755 ( 2.961 13.305 0.000) 13.630 1.912 ( 1.168 11.597 0.000) 11.656 1.982 ( 6.881 3.107 0.000) 7.550 1.994 ( 4.671 5.917 0.000) 7.538 2.028 ( -4.784 3.361 0.000) 5.847 2.234 ( -3.041 2.749 0.000) 4.100 2.245 ( -2.532 0.128 0.000) 2.535 2.491 ( 0.104 -2.933 0.000) 2.935 2.593 ( -2.954 9.495 0.000) 9.944 2.736 ( -2.231 2.301 0.000) 3.205 3.029 ( 0.728 0.747 0.000) 1.043 3.056 ( 2.160 11.963 0.000) 12.157 3.080 ( -1.047 7.862 0.000) 7.932 3.169 ( -1.509 6.190 0.000) 6.371 3.990 ( 0.155 -10.547 0.000) 10.548 4.008 ( 0.088 -8.960 0.000) 8.960 5.567 ( -0.028 -10.486 0.000) 10.486 5.570 ( -0.194 -10.553 0.000) 10.555 7.471 ( 0.451 -10.057 0.000) 10.067 7.483 ( 0.240 -10.273 0.000) 10.276 11.554 ( 0.850 -0.713 0.000) 1.109 11.639 ( -1.244 -1.865 0.000) 2.242 12.925 ( 0.660 -17.614 0.000) 17.627 12.931 ( 0.602 -20.628 0.000) 20.637 15.594 ( 1.338 24.671 0.000) 24.708 15.894 ( -5.581 33.244 0.000) 33.709 16.252 ( -0.192 35.500 0.000) 35.501 16.329 ( -11.514 46.963 0.000) 48.354 19.436 ( -0.546 -13.698 0.000) 13.709 19.543 ( 1.228 -7.649 0.000) 7.747 20.095 ( 0.623 -8.828 0.000) 8.850 20.131 ( -1.027 -10.420 0.000) 10.471 22.847 ( 1.448 -2.518 0.000) 2.904 22.932 ( 0.607 -2.086 0.000) 2.172 23.052 ( 8.271 -6.458 0.000) 10.494 23.339 ( -0.112 -7.704 0.000) 7.705 43.768 ( 11.298 0.326 0.000) 11.302 44.130 ( 20.436 -7.439 0.000) 21.748 44.414 ( -7.554 -2.544 0.000) 7.971 44.940 ( -0.904 -9.336 0.000) 9.380 45.013 ( 2.428 -3.247 0.000) 4.055 45.458 ( -7.286 -6.009 0.000) 9.444 46.048 ( 2.324 -15.343 0.000) 15.518 46.234 ( -2.494 -11.919 0.000) 12.177 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 10.074 7.357 0.000) 12.474 1.241 ( 1.917 7.349 0.000) 7.595 1.278 ( 0.808 2.864 0.000) 2.976 1.424 ( -5.452 0.682 0.000) 5.494 1.784 ( 1.530 6.643 0.000) 6.817 1.848 ( -5.065 8.627 0.000) 10.004 2.031 ( 2.879 3.616 0.000) 4.622 2.056 ( 1.797 -0.341 0.000) 1.829 2.134 ( 3.313 7.821 0.000) 8.494 2.187 ( -3.196 1.718 0.000) 3.628 2.228 ( 6.309 10.880 0.000) 12.577 2.399 ( -8.437 8.465 0.000) 11.952 2.607 ( 3.278 2.105 0.000) 3.896 2.678 ( -3.594 1.381 0.000) 3.850 3.044 ( 0.775 -1.780 0.000) 1.942 3.060 ( -0.949 0.471 0.000) 1.060 3.099 ( 2.155 13.459 0.000) 13.630 3.138 ( -1.794 12.034 0.000) 12.167 3.997 ( 0.471 -10.041 0.000) 10.052 4.005 ( -0.333 -9.493 0.000) 9.498 5.567 ( -0.004 -10.523 0.000) 10.523 5.567 ( -0.065 -10.551 0.000) 10.552 7.480 ( 0.389 -10.023 0.000) 10.030 7.485 ( -0.075 -10.097 0.000) 10.097 11.577 ( 1.530 -2.076 0.000) 2.578 11.609 ( -1.698 -2.827 0.000) 3.297 12.936 ( 0.414 -18.959 0.000) 18.964 12.939 ( 0.142 -19.734 0.000) 19.735 15.638 ( 3.788 28.433 0.000) 28.685 15.753 ( -7.765 33.207 0.000) 34.103 16.210 ( -1.282 36.448 0.000) 36.471 16.228 ( -1.940 34.690 0.000) 34.744 19.464 ( 3.147 -12.264 0.000) 12.662 19.528 ( -2.618 -9.400 0.000) 9.758 20.104 ( 0.387 -9.282 0.000) 9.290 20.114 ( -0.674 -9.966 0.000) 9.989 22.883 ( 2.030 -2.459 0.000) 3.189 22.918 ( -1.495 -2.302 0.000) 2.745 23.209 ( 6.959 -8.700 0.000) 11.141 23.308 ( -3.240 -8.632 0.000) 9.220 44.004 ( 12.505 -1.090 0.000) 12.552 44.233 ( -10.818 -1.895 0.000) 10.982 44.518 ( 18.316 -13.368 0.000) 22.676 44.809 ( -11.327 -14.239 0.000) 18.194 45.132 ( 8.067 -1.774 0.000) 8.260 45.299 ( -8.796 -4.078 0.000) 9.695 46.105 ( 3.476 -14.176 0.000) 14.596 46.175 ( -3.505 -12.971 0.000) 13.436 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 18.508 0.000) 18.508 1.169 ( 0.000 18.209 0.000) 18.209 1.520 ( 0.000 7.130 0.000) 7.130 1.724 ( 0.000 9.627 0.000) 9.627 1.755 ( 0.000 -0.971 0.000) 0.971 1.937 ( 0.000 0.597 0.000) 0.597 1.985 ( 0.000 3.506 0.000) 3.506 2.081 ( 0.000 16.228 0.000) 16.228 2.270 ( 0.000 -0.881 0.000) 0.881 2.287 ( 0.000 -0.480 0.000) 0.480 2.332 ( 0.000 7.464 0.000) 7.464 2.388 ( 0.000 -1.511 0.000) 1.511 2.800 ( 0.000 -0.212 0.000) 0.212 2.860 ( 0.000 9.449 0.000) 9.449 3.105 ( 0.000 7.842 0.000) 7.842 3.134 ( 0.000 -3.140 0.000) 3.140 3.307 ( 0.000 11.053 0.000) 11.053 3.484 ( 0.000 15.176 0.000) 15.176 3.747 ( 0.000 -11.560 0.000) 11.560 3.813 ( 0.000 -9.740 0.000) 9.740 5.418 ( 0.000 -2.146 0.000) 2.146 5.419 ( 0.000 -2.924 0.000) 2.924 7.205 ( 0.000 -14.976 0.000) 14.976 7.208 ( 0.000 -15.634 0.000) 15.634 11.627 ( 0.000 7.352 0.000) 7.352 11.732 ( 0.000 5.175 0.000) 5.175 12.512 ( 0.000 -16.676 0.000) 16.676 12.617 ( 0.000 -13.151 0.000) 13.151 16.084 ( 0.000 28.941 0.000) 28.941 16.707 ( 0.000 36.899 0.000) 36.899 16.968 ( 0.000 36.588 0.000) 36.588 17.977 ( 0.000 56.088 0.000) 56.088 19.178 ( 0.000 -19.331 0.000) 19.331 19.316 ( 0.000 -5.078 0.000) 5.078 19.837 ( 0.000 -13.690 0.000) 13.690 19.886 ( 0.000 -16.725 0.000) 16.725 22.812 ( 0.000 1.392 0.000) 1.392 22.814 ( 0.000 3.633 0.000) 3.633 22.950 ( 0.000 0.167 0.000) 0.167 23.218 ( 0.000 -2.938 0.000) 2.938 43.645 ( 0.000 10.277 0.000) 10.277 43.843 ( 0.000 13.983 0.000) 13.983 44.538 ( 0.000 0.220 0.000) 0.220 44.877 ( 0.000 -3.729 0.000) 3.729 44.981 ( 0.000 9.415 0.000) 9.415 45.485 ( 0.000 -4.375 0.000) 4.375 45.842 ( 0.000 -1.443 0.000) 1.443 46.091 ( 0.000 -7.931 0.000) 7.931 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 3.197 17.602 0.000) 17.890 1.191 ( 2.480 16.854 0.000) 17.035 1.527 ( 0.608 6.588 0.000) 6.616 1.638 ( -4.728 6.565 0.000) 8.091 1.849 ( 5.023 3.427 0.000) 6.081 1.917 ( -1.202 0.364 0.000) 1.256 2.001 ( 1.482 2.802 0.000) 3.170 2.147 ( 6.082 14.865 0.000) 16.061 2.235 ( -3.800 3.330 0.000) 5.053 2.279 ( -0.744 -0.215 0.000) 0.775 2.318 ( -1.090 4.085 0.000) 4.228 2.388 ( 0.190 -2.076 0.000) 2.085 2.789 ( -1.215 -0.162 0.000) 1.225 2.843 ( -1.781 9.565 0.000) 9.729 3.101 ( -0.445 7.105 0.000) 7.119 3.118 ( -1.457 -2.396 0.000) 2.804 3.321 ( 1.443 11.731 0.000) 11.820 3.492 ( 0.629 15.380 0.000) 15.393 3.751 ( 0.360 -11.358 0.000) 11.364 3.811 ( -0.122 -9.999 0.000) 9.999 5.418 ( -0.097 -2.852 0.000) 2.853 5.418 ( -0.004 -2.166 0.000) 2.166 7.208 ( 0.285 -14.987 0.000) 14.990 7.212 ( 0.370 -15.591 0.000) 15.595 11.625 ( -0.247 7.106 0.000) 7.110 11.710 ( -2.135 4.676 0.000) 5.140 12.524 ( 1.199 -16.566 0.000) 16.610 12.607 ( -0.916 -13.748 0.000) 13.778 16.103 ( 1.832 29.052 0.000) 29.110 16.674 ( -3.075 36.510 0.000) 36.639 16.981 ( 1.030 36.368 0.000) 36.383 17.763 ( -20.071 53.291 0.000) 56.945 19.143 ( -3.054 -19.293 0.000) 19.534 19.351 ( 2.456 -5.866 0.000) 6.359 19.848 ( 0.912 -13.862 0.000) 13.892 19.872 ( -1.163 -16.896 0.000) 16.936 22.817 ( 0.565 1.539 0.000) 1.640 22.865 ( 4.638 2.976 0.000) 5.511 22.952 ( 0.363 0.312 0.000) 0.479 23.228 ( 0.821 -2.929 0.000) 3.042 43.699 ( 5.421 9.527 0.000) 10.962 43.936 ( 9.256 12.572 0.000) 15.612 44.504 ( -3.403 0.650 0.000) 3.464 44.857 ( -1.570 -2.956 0.000) 3.347 45.016 ( 2.935 8.522 0.000) 9.013 45.454 ( -3.180 -3.890 0.000) 5.025 45.852 ( 1.057 -1.585 0.000) 1.905 46.082 ( -0.935 -7.439 0.000) 7.497 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 5.887 15.168 0.000) 16.271 1.268 ( 5.394 13.002 0.000) 14.077 1.533 ( -0.389 5.857 0.000) 5.870 1.546 ( -5.095 8.319 0.000) 9.755 1.871 ( -0.629 4.116 0.000) 4.164 1.967 ( 4.554 -0.097 0.000) 4.555 2.032 ( 1.344 0.628 0.000) 1.483 2.129 ( -6.650 6.781 0.000) 9.497 2.255 ( 0.227 4.006 0.000) 4.013 2.293 ( -1.446 3.081 0.000) 3.404 2.296 ( 6.837 8.524 0.000) 10.928 2.404 ( 1.539 -3.405 0.000) 3.737 2.753 ( -2.413 0.647 0.000) 2.498 2.796 ( -2.925 9.988 0.000) 10.408 3.087 ( -0.855 5.575 0.000) 5.641 3.088 ( -1.452 -0.630 0.000) 1.582 3.363 ( 2.820 13.200 0.000) 13.498 3.497 ( -0.380 15.778 0.000) 15.783 3.761 ( 0.676 -11.065 0.000) 11.086 3.807 ( -0.406 -10.488 0.000) 10.496 5.416 ( -0.073 -2.684 0.000) 2.685 5.418 ( -0.044 -2.234 0.000) 2.235 7.215 ( 0.449 -15.031 0.000) 15.037 7.220 ( 0.421 -15.467 0.000) 15.472 11.618 ( -0.410 6.263 0.000) 6.276 11.662 ( -2.453 3.865 0.000) 4.578 12.550 ( 1.268 -16.363 0.000) 16.412 12.587 ( -0.890 -14.991 0.000) 15.018 16.155 ( 3.830 30.015 0.000) 30.259 16.600 ( -4.583 36.094 0.000) 36.384 16.989 ( -0.638 36.069 0.000) 36.074 17.313 ( -23.131 46.937 0.000) 52.327 19.100 ( -0.186 -19.087 0.000) 19.088 19.367 ( -1.454 -9.414 0.000) 9.526 19.853 ( -0.637 -16.825 0.000) 16.837 19.862 ( 0.302 -14.290 0.000) 14.293 22.837 ( 1.542 1.726 0.000) 2.314 22.925 ( 0.146 1.223 0.000) 1.232 23.007 ( 6.033 0.788 0.000) 6.084 23.237 ( -0.263 -2.709 0.000) 2.721 43.844 ( 9.230 7.536 0.000) 11.916 44.172 ( 13.823 8.332 0.000) 16.140 44.410 ( -5.949 2.519 0.000) 6.461 44.815 ( -3.325 -2.333 0.000) 4.062 45.077 ( 3.355 7.719 0.000) 8.416 45.369 ( -5.314 -2.276 0.000) 5.781 45.884 ( 2.262 -2.141 0.000) 3.114 46.053 ( -2.121 -6.209 0.000) 6.561 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.233 12.054 0.000) 14.058 1.380 ( 3.792 7.782 0.000) 8.656 1.439 ( -4.258 11.028 0.000) 11.822 1.497 ( -3.573 6.460 0.000) 7.382 1.891 ( 3.003 5.216 0.000) 6.019 1.985 ( -6.261 5.394 0.000) 8.264 2.037 ( 2.367 -0.496 0.000) 2.419 2.058 ( -0.138 0.575 0.000) 0.591 2.251 ( 0.182 3.017 0.000) 3.023 2.266 ( -1.236 3.575 0.000) 3.783 2.419 ( 4.184 4.490 0.000) 6.137 2.439 ( 1.407 -2.320 0.000) 2.713 2.714 ( -0.854 4.588 0.000) 4.667 2.737 ( -2.780 9.626 0.000) 10.019 3.068 ( -0.448 1.619 0.000) 1.680 3.071 ( -0.665 3.814 0.000) 3.872 3.423 ( 3.099 14.716 0.000) 15.039 3.474 ( -1.989 15.688 0.000) 15.814 3.776 ( 0.918 -11.009 0.000) 11.047 3.794 ( -0.852 -10.884 0.000) 10.918 5.415 ( 0.027 -2.503 0.000) 2.504 5.416 ( -0.076 -2.350 0.000) 2.352 7.223 ( 0.315 -15.131 0.000) 15.135 7.226 ( 0.094 -15.292 0.000) 15.293 11.613 ( 0.035 4.941 0.000) 4.941 11.625 ( -1.282 3.886 0.000) 4.092 12.568 ( 0.566 -16.233 0.000) 16.243 12.576 ( -0.362 -15.917 0.000) 15.921 16.270 ( 8.450 32.881 0.000) 33.949 16.465 ( -9.945 36.087 0.000) 37.432 16.957 ( -1.770 36.220 0.000) 36.263 16.992 ( -8.025 39.166 0.000) 39.980 19.159 ( 5.924 -17.573 0.000) 18.545 19.289 ( -6.256 -14.068 0.000) 15.396 19.850 ( 0.221 -16.045 0.000) 16.047 19.858 ( -0.501 -15.019 0.000) 15.027 22.873 ( 1.997 1.673 0.000) 2.605 22.908 ( -1.492 1.386 0.000) 2.036 23.126 ( 5.512 -0.737 0.000) 5.561 23.208 ( -2.842 -2.017 0.000) 3.485 44.040 ( 10.474 4.917 0.000) 11.571 44.231 ( -8.612 2.074 0.000) 8.858 44.480 ( 13.280 6.080 0.000) 14.606 44.702 ( -8.791 0.930 0.000) 8.840 45.154 ( 4.731 4.627 0.000) 6.618 45.258 ( -5.840 0.664 0.000) 5.878 45.938 ( 3.197 -3.233 0.000) 4.547 46.001 ( -3.118 -4.688 0.000) 5.630 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 15.647 0.000) 15.647 1.478 ( 0.000 11.252 0.000) 11.252 1.716 ( 0.000 10.605 0.000) 10.605 1.730 ( 0.000 -1.464 0.000) 1.464 1.913 ( 0.000 8.523 0.000) 8.523 1.998 ( 0.000 -1.942 0.000) 1.942 2.047 ( 0.000 10.445 0.000) 10.445 2.190 ( 0.000 -6.301 0.000) 6.301 2.255 ( 0.000 0.732 0.000) 0.732 2.334 ( 0.000 5.290 0.000) 5.290 2.435 ( 0.000 4.835 0.000) 4.835 2.497 ( 0.000 7.914 0.000) 7.914 2.798 ( 0.000 0.559 0.000) 0.559 3.044 ( 0.000 7.411 0.000) 7.411 3.104 ( 0.000 2.264 0.000) 2.264 3.266 ( 0.000 7.596 0.000) 7.596 3.312 ( 0.000 -10.525 0.000) 10.525 3.580 ( 0.000 -7.776 0.000) 7.776 3.614 ( 0.000 -2.133 0.000) 2.133 3.653 ( 0.000 -4.116 0.000) 4.116 5.520 ( 0.000 13.143 0.000) 13.143 5.544 ( 0.000 14.541 0.000) 14.541 6.840 ( 0.000 -20.343 0.000) 20.343 6.854 ( 0.000 -19.422 0.000) 19.422 11.809 ( 0.000 9.760 0.000) 9.760 11.852 ( 0.000 6.039 0.000) 6.039 12.239 ( 0.000 -10.255 0.000) 10.255 12.378 ( 0.000 -10.305 0.000) 10.305 16.726 ( 0.000 33.580 0.000) 33.580 17.466 ( 0.000 36.989 0.000) 36.989 17.698 ( 0.000 34.780 0.000) 34.780 18.712 ( 0.000 -26.299 0.000) 26.299 18.913 ( 0.000 34.564 0.000) 34.564 19.203 ( 0.000 -9.974 0.000) 9.974 19.485 ( 0.000 -22.508 0.000) 22.508 19.566 ( 0.000 -9.604 0.000) 9.604 22.881 ( 0.000 5.052 0.000) 5.052 22.900 ( 0.000 4.277 0.000) 4.277 22.969 ( 0.000 1.383 0.000) 1.383 23.172 ( 0.000 -2.218 0.000) 2.218 43.933 ( 0.000 17.265 0.000) 17.265 44.172 ( 0.000 16.862 0.000) 16.862 44.560 ( 0.000 1.496 0.000) 1.496 44.802 ( 0.000 -5.097 0.000) 5.097 45.240 ( 0.000 15.212 0.000) 15.212 45.444 ( 0.000 0.632 0.000) 0.632 45.851 ( 0.000 0.099 0.000) 0.099 45.932 ( 0.000 -8.436 0.000) 8.436 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.14 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.295 15.464 0.000) 15.633 1.490 ( 1.290 11.495 0.000) 11.567 1.707 ( -0.769 9.874 0.000) 9.904 1.727 ( -0.452 1.704 0.000) 1.763 1.924 ( 1.123 5.099 0.000) 5.221 2.002 ( 0.318 -2.257 0.000) 2.280 2.032 ( -1.029 10.069 0.000) 10.122 2.192 ( 0.215 -6.300 0.000) 6.303 2.267 ( 0.408 -0.502 0.000) 0.647 2.356 ( 2.465 5.047 0.000) 5.617 2.405 ( -3.419 5.373 0.000) 6.368 2.477 ( -1.554 6.942 0.000) 7.114 2.797 ( 0.084 1.688 0.000) 1.690 3.033 ( -1.278 8.449 0.000) 8.545 3.100 ( -0.115 2.151 0.000) 2.154 3.241 ( -1.693 4.463 0.000) 4.774 3.353 ( 3.272 -6.858 0.000) 7.599 3.585 ( 0.248 -8.945 0.000) 8.948 3.619 ( 0.487 -2.077 0.000) 2.133 3.660 ( 0.635 -2.600 0.000) 2.677 5.521 ( 0.099 13.267 0.000) 13.267 5.543 ( -0.108 14.503 0.000) 14.503 6.845 ( 0.440 -20.323 0.000) 20.328 6.856 ( 0.221 -19.470 0.000) 19.471 11.800 ( -0.862 9.434 0.000) 9.473 11.826 ( -2.402 6.221 0.000) 6.668 12.249 ( 0.932 -10.637 0.000) 10.678 12.360 ( -1.706 -10.516 0.000) 10.654 16.741 ( 1.634 33.127 0.000) 33.167 17.431 ( -3.232 37.271 0.000) 37.411 17.700 ( 0.157 33.826 0.000) 33.827 18.667 ( -22.107 33.928 0.000) 40.495 18.688 ( -2.142 -25.219 0.000) 25.309 19.223 ( -0.444 -9.327 0.000) 9.338 19.469 ( -1.320 -22.517 0.000) 22.556 19.550 ( -1.411 -12.862 0.000) 12.939 22.889 ( 0.829 5.210 0.000) 5.275 22.938 ( 3.238 3.631 0.000) 4.865 22.978 ( 1.191 1.847 0.000) 2.198 23.183 ( 0.978 -2.158 0.000) 2.369 43.970 ( 3.759 16.426 0.000) 16.850 44.235 ( 6.119 15.082 0.000) 16.276 44.541 ( -1.881 2.377 0.000) 3.031 44.795 ( -0.713 -4.498 0.000) 4.554 45.263 ( 2.174 14.735 0.000) 14.894 45.426 ( -1.712 1.594 0.000) 2.339 45.858 ( 0.708 0.010 0.000) 0.708 45.937 ( 0.448 -7.659 0.000) 7.672 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.29 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 3.726 14.595 0.000) 15.063 1.526 ( 2.279 11.267 0.000) 11.496 1.690 ( -1.036 8.715 0.000) 8.777 1.707 ( -1.664 6.574 0.000) 6.781 1.947 ( 1.166 2.613 0.000) 2.861 2.007 ( 0.135 -2.708 0.000) 2.711 2.032 ( 1.330 7.610 0.000) 7.725 2.197 ( 0.101 -4.713 0.000) 4.714 2.264 ( -0.388 -1.136 0.000) 1.201 2.308 ( -5.793 4.910 0.000) 7.594 2.406 ( 1.876 0.464 0.000) 1.933 2.449 ( -1.322 4.514 0.000) 4.704 2.812 ( 1.709 5.498 0.000) 5.757 2.995 ( -2.516 9.349 0.000) 9.682 3.108 ( 0.954 3.483 0.000) 3.611 3.209 ( -1.648 5.092 0.000) 5.352 3.426 ( 4.043 -6.834 0.000) 7.941 3.582 ( -0.671 -10.127 0.000) 10.150 3.632 ( 0.753 -1.697 0.000) 1.856 3.671 ( 0.320 -0.626 0.000) 0.703 5.524 ( 0.215 13.570 0.000) 13.572 5.540 ( -0.225 14.390 0.000) 14.391 6.855 ( 0.566 -20.251 0.000) 20.258 6.861 ( 0.304 -19.622 0.000) 19.624 11.775 ( -2.461 6.646 0.000) 7.087 11.777 ( -1.487 8.670 0.000) 8.797 12.269 ( 0.952 -11.424 0.000) 11.463 12.323 ( -1.875 -11.068 0.000) 11.226 16.799 ( 4.854 32.710 0.000) 33.068 17.353 ( -4.958 37.288 0.000) 37.616 17.699 ( -0.518 33.129 0.000) 33.133 18.166 ( -26.767 35.716 0.000) 44.633 18.662 ( 0.707 -23.698 0.000) 23.709 19.145 ( -7.652 -13.552 0.000) 15.563 19.451 ( -0.230 -22.426 0.000) 22.427 19.521 ( -1.421 -18.259 0.000) 18.314 22.913 ( 1.569 5.340 0.000) 5.566 22.971 ( 0.413 3.051 0.000) 3.079 23.045 ( 4.885 2.030 0.000) 5.289 23.199 ( 0.350 -1.777 0.000) 1.811 44.070 ( 6.316 14.048 0.000) 15.403 44.364 ( 4.347 8.822 0.000) 9.835 44.510 ( 0.775 6.115 0.000) 6.164 44.775 ( -1.518 -3.238 0.000) 3.576 45.308 ( 2.002 13.985 0.000) 14.128 45.386 ( -2.113 4.537 0.000) 5.005 45.878 ( 1.312 -0.424 0.000) 1.379 45.943 ( -0.023 -5.724 0.000) 5.724 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 3.602 12.113 0.000) 12.637 1.567 ( 1.237 9.696 0.000) 9.775 1.665 ( -1.695 9.747 0.000) 9.893 1.665 ( -1.751 9.838 0.000) 9.993 1.980 ( 2.145 1.752 0.000) 2.769 2.006 ( -0.407 -1.920 0.000) 1.963 2.071 ( 2.646 5.631 0.000) 6.221 2.149 ( -5.046 6.148 0.000) 7.954 2.249 ( 0.152 -4.262 0.000) 4.264 2.258 ( -0.348 -2.590 0.000) 2.613 2.421 ( 0.046 -2.232 0.000) 2.233 2.427 ( -0.794 0.905 0.000) 1.204 2.866 ( 3.591 8.877 0.000) 9.575 2.937 ( -3.496 9.567 0.000) 10.186 3.136 ( 1.860 5.255 0.000) 5.575 3.174 ( -1.945 5.781 0.000) 6.100 3.502 ( 3.599 -8.320 0.000) 9.065 3.557 ( -1.987 -9.922 0.000) 10.119 3.648 ( 0.950 -0.689 0.000) 1.173 3.666 ( -0.787 0.087 0.000) 0.791 5.529 ( 0.307 13.913 0.000) 13.917 5.535 ( -0.312 14.197 0.000) 14.200 6.864 ( 0.298 -20.095 0.000) 20.097 6.866 ( 0.107 -19.859 0.000) 19.859 11.743 ( -0.623 7.185 0.000) 7.212 11.750 ( -1.096 7.857 0.000) 7.933 12.283 ( 0.543 -11.901 0.000) 11.913 12.295 ( -0.928 -11.691 0.000) 11.728 16.953 ( 11.351 33.606 0.000) 35.471 17.202 ( -11.784 35.707 0.000) 37.601 17.682 ( -0.332 34.544 0.000) 34.546 17.765 ( -11.778 35.958 0.000) 37.838 18.749 ( 8.263 -22.613 0.000) 24.076 18.951 ( -11.388 -19.309 0.000) 22.417 19.462 ( 1.245 -21.907 0.000) 21.942 19.492 ( -1.652 -20.831 0.000) 20.896 22.945 ( 1.574 5.003 0.000) 5.244 22.968 ( -0.729 4.132 0.000) 4.196 23.133 ( 3.890 0.501 0.000) 3.922 23.188 ( -1.672 -0.873 0.000) 1.886 44.202 ( 7.013 10.620 0.000) 12.727 44.328 ( -5.520 7.087 0.000) 8.983 44.617 ( 7.145 4.591 0.000) 8.493 44.726 ( -3.877 -0.646 0.000) 3.931 45.335 ( 0.882 12.547 0.000) 12.578 45.353 ( -1.251 8.931 0.000) 9.018 45.907 ( 1.548 -1.546 0.000) 2.188 45.933 ( -1.007 -3.440 0.000) 3.585 ======================= Grid point 35 (21/72) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 4.467 0.000) 4.467 1.674 ( 0.000 13.144 0.000) 13.144 1.693 ( 0.000 -2.298 0.000) 2.298 1.899 ( 0.000 -8.230 0.000) 8.230 1.908 ( 0.000 7.944 0.000) 7.944 2.051 ( 0.000 -6.716 0.000) 6.716 2.095 ( 0.000 8.568 0.000) 8.568 2.224 ( 0.000 -3.758 0.000) 3.758 2.272 ( 0.000 9.435 0.000) 9.435 2.381 ( 0.000 -1.198 0.000) 1.198 2.539 ( 0.000 4.670 0.000) 4.670 2.593 ( 0.000 0.482 0.000) 0.482 2.853 ( 0.000 5.819 0.000) 5.819 3.051 ( 0.000 -12.777 0.000) 12.777 3.171 ( 0.000 8.816 0.000) 8.816 3.266 ( 0.000 10.254 0.000) 10.254 3.380 ( 0.000 -10.502 0.000) 10.502 3.411 ( 0.000 6.652 0.000) 6.652 3.491 ( 0.000 -11.025 0.000) 11.025 3.537 ( 0.000 -5.531 0.000) 5.531 5.905 ( 0.000 22.849 0.000) 22.849 5.946 ( 0.000 22.932 0.000) 22.932 6.389 ( 0.000 -23.598 0.000) 23.598 6.421 ( 0.000 -22.787 0.000) 22.787 11.967 ( 0.000 5.274 0.000) 5.274 12.005 ( 0.000 9.248 0.000) 9.248 12.078 ( 0.000 -6.100 0.000) 6.100 12.187 ( 0.000 -8.848 0.000) 8.848 17.429 ( 0.000 34.752 0.000) 34.752 18.115 ( 0.000 -31.993 0.000) 31.993 18.190 ( 0.000 33.579 0.000) 33.579 18.375 ( 0.000 31.485 0.000) 31.485 18.810 ( 0.000 -26.488 0.000) 26.488 18.976 ( 0.000 -27.356 0.000) 27.356 19.383 ( 0.000 12.520 0.000) 12.520 19.496 ( 0.000 -1.040 0.000) 1.040 22.971 ( 0.000 2.360 0.000) 2.360 22.991 ( 0.000 0.329 0.000) 0.329 23.000 ( 0.000 6.035 0.000) 6.035 23.108 ( 0.000 -4.291 0.000) 4.291 44.307 ( 0.000 18.208 0.000) 18.208 44.461 ( 0.000 10.078 0.000) 10.078 44.570 ( 0.000 -1.411 0.000) 1.411 44.628 ( 0.000 -12.456 0.000) 12.456 45.528 ( 0.000 7.780 0.000) 7.780 45.555 ( 0.000 14.457 0.000) 14.457 45.732 ( 0.000 -10.899 0.000) 10.899 45.784 ( 0.000 -7.363 0.000) 7.363 ======================= Grid point 36 (22/72) ======================= q-point: ( 0.14 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.140 4.937 0.000) 5.381 1.691 ( 1.667 12.703 0.000) 12.812 1.719 ( 2.412 -2.035 0.000) 3.156 1.889 ( -1.416 4.632 0.000) 4.844 1.910 ( 0.643 -4.273 0.000) 4.321 2.045 ( -0.427 -7.348 0.000) 7.360 2.079 ( -1.411 8.549 0.000) 8.665 2.204 ( -1.489 -0.777 0.000) 1.680 2.260 ( -1.342 5.546 0.000) 5.706 2.374 ( -0.863 -2.933 0.000) 3.058 2.512 ( -2.855 4.574 0.000) 5.392 2.563 ( -2.844 0.502 0.000) 2.888 2.883 ( 3.024 7.108 0.000) 7.725 3.083 ( 3.063 -11.799 0.000) 12.190 3.170 ( -0.166 7.909 0.000) 7.911 3.252 ( -0.990 8.437 0.000) 8.495 3.390 ( 0.748 -7.719 0.000) 7.755 3.411 ( -0.015 6.535 0.000) 6.535 3.511 ( 1.735 -10.707 0.000) 10.846 3.540 ( 0.282 -5.758 0.000) 5.765 5.909 ( 0.330 22.943 0.000) 22.945 5.946 ( -0.075 22.997 0.000) 22.997 6.393 ( 0.442 -23.624 0.000) 23.629 6.422 ( 0.084 -22.865 0.000) 22.865 11.950 ( -1.547 5.937 0.000) 6.135 11.990 ( -1.458 8.967 0.000) 9.085 12.076 ( -0.166 -6.822 0.000) 6.824 12.168 ( -1.818 -8.741 0.000) 8.928 17.430 ( 0.393 33.791 0.000) 33.794 18.080 ( -2.431 -26.677 0.000) 26.787 18.167 ( -2.350 34.289 0.000) 34.370 18.392 ( 1.008 26.457 0.000) 26.476 18.793 ( -2.199 -25.284 0.000) 25.379 18.964 ( -0.980 -26.843 0.000) 26.860 19.209 ( -16.805 13.916 0.000) 21.819 19.393 ( -10.019 -5.392 0.000) 11.378 22.996 ( 2.157 1.873 0.000) 2.857 23.008 ( 1.991 0.706 0.000) 2.113 23.010 ( 1.032 6.138 0.000) 6.225 23.120 ( 1.090 -4.306 0.000) 4.442 44.327 ( 2.038 17.416 0.000) 17.535 44.484 ( 2.091 8.310 0.000) 8.569 44.569 ( -0.028 -0.555 0.000) 0.555 44.633 ( 0.515 -11.772 0.000) 11.784 45.534 ( 0.708 8.930 0.000) 8.958 45.569 ( 1.375 14.041 0.000) 14.108 45.749 ( 1.612 -10.736 0.000) 10.856 45.792 ( 0.778 -7.159 0.000) 7.201 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.29 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.610 5.825 0.000) 6.383 1.730 ( 1.887 11.190 0.000) 11.348 1.770 ( 2.420 -0.778 0.000) 2.541 1.857 ( -1.610 5.597 0.000) 5.824 1.928 ( 1.254 -3.468 0.000) 3.688 2.047 ( 1.009 -8.337 0.000) 8.398 2.051 ( -1.361 7.554 0.000) 7.676 2.185 ( -0.332 -1.054 0.000) 1.105 2.223 ( -2.249 3.920 0.000) 4.519 2.351 ( -1.120 -5.058 0.000) 5.181 2.428 ( -5.544 5.277 0.000) 7.654 2.494 ( -4.020 -0.670 0.000) 4.076 2.961 ( 4.645 8.731 0.000) 9.890 3.154 ( 3.860 -9.467 0.000) 10.224 3.158 ( -1.247 7.370 0.000) 7.475 3.243 ( 0.128 5.623 0.000) 5.625 3.401 ( 0.284 -3.963 0.000) 3.973 3.409 ( -0.126 6.003 0.000) 6.004 3.544 ( 1.372 -10.143 0.000) 10.235 3.548 ( 0.464 -6.447 0.000) 6.463 5.917 ( 0.530 23.146 0.000) 23.152 5.943 ( -0.210 23.151 0.000) 23.152 6.404 ( 0.630 -23.657 0.000) 23.665 6.423 ( 0.043 -23.086 0.000) 23.086 11.918 ( -1.534 7.233 0.000) 7.394 11.953 ( -2.133 8.486 0.000) 8.750 12.072 ( -0.167 -8.241 0.000) 8.242 12.125 ( -2.274 -8.687 0.000) 8.980 17.467 ( 4.216 32.232 0.000) 32.506 18.073 ( 2.738 -23.045 0.000) 23.207 18.094 ( -5.836 34.650 0.000) 35.138 18.396 ( -0.623 24.151 0.000) 24.159 18.685 ( -10.690 -7.835 0.000) 13.253 18.819 ( -19.935 4.556 0.000) 20.449 18.950 ( -0.178 -26.479 0.000) 26.480 19.165 ( -11.233 -16.683 0.000) 20.112 23.034 ( 1.708 2.675 0.000) 3.174 23.035 ( 1.383 6.102 0.000) 6.256 23.066 ( 3.329 -0.242 0.000) 3.338 23.142 ( 0.958 -4.074 0.000) 4.185 44.379 ( 3.124 15.137 0.000) 15.456 44.514 ( 0.137 5.821 0.000) 5.822 44.582 ( 1.746 -0.115 0.000) 1.749 44.643 ( 0.402 -9.993 0.000) 10.002 45.557 ( 1.614 11.286 0.000) 11.400 45.598 ( 1.335 13.335 0.000) 13.402 45.786 ( 1.976 -9.944 0.000) 10.138 45.811 ( 0.968 -6.876 0.000) 6.944 ======================= Grid point 38 (24/72) ======================= q-point: ( 0.43 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.344 6.581 0.000) 6.717 1.751 ( 0.189 8.329 0.000) 8.331 1.805 ( 1.320 1.549 0.000) 2.035 1.829 ( -1.321 3.831 0.000) 4.052 1.967 ( 2.804 0.619 0.000) 2.872 2.020 ( -2.197 4.569 0.000) 5.070 2.088 ( 2.987 -7.751 0.000) 8.307 2.152 ( -3.260 -6.496 0.000) 7.268 2.226 ( 3.032 7.352 0.000) 7.953 2.315 ( -5.691 6.464 0.000) 8.612 2.354 ( 1.776 -4.670 0.000) 4.997 2.414 ( -4.011 -2.798 0.000) 4.890 3.049 ( 4.237 9.026 0.000) 9.971 3.119 ( -2.849 8.320 0.000) 8.795 3.218 ( 2.520 -5.654 0.000) 6.190 3.246 ( -0.344 0.340 0.000) 0.483 3.403 ( 0.049 0.221 0.000) 0.227 3.406 ( -0.209 4.220 0.000) 4.225 3.557 ( 0.399 -7.637 0.000) 7.648 3.559 ( 0.248 -9.097 0.000) 9.100 5.928 ( 0.542 23.298 0.000) 23.304 5.937 ( -0.400 23.291 0.000) 23.294 6.416 ( 0.492 -23.591 0.000) 23.596 6.422 ( -0.186 -23.373 0.000) 23.374 11.901 ( -0.069 8.063 0.000) 8.063 11.916 ( -1.534 8.273 0.000) 8.414 12.073 ( 0.315 -9.057 0.000) 9.062 12.089 ( -1.388 -8.957 0.000) 9.064 17.621 ( 11.975 31.520 0.000) 33.718 17.899 ( -14.446 32.156 0.000) 35.252 18.207 ( 11.145 -20.033 0.000) 22.924 18.385 ( 0.342 23.755 0.000) 23.758 18.443 ( -9.467 30.599 0.000) 32.030 18.493 ( -15.075 -25.863 0.000) 29.935 18.962 ( 1.512 -26.975 0.000) 27.017 19.016 ( -4.478 -25.752 0.000) 26.138 23.057 ( 0.706 5.455 0.000) 5.500 23.058 ( 0.637 4.188 0.000) 4.236 23.122 ( 2.255 -1.850 0.000) 2.917 23.148 ( -0.444 -3.240 0.000) 3.270 44.440 ( 3.044 11.772 0.000) 12.159 44.491 ( -2.100 8.088 0.000) 8.356 44.622 ( 1.804 -3.828 0.000) 4.232 44.644 ( -0.479 -7.420 0.000) 7.435 45.591 ( 1.647 12.821 0.000) 12.926 45.611 ( -0.214 13.094 0.000) 13.096 45.817 ( 1.045 -8.507 0.000) 8.571 45.824 ( 0.265 -7.244 0.000) 7.249 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 0.000 18.375) 18.375 0.430 ( 0.000 0.000 19.139) 19.139 0.567 ( 0.000 0.000 25.605) 25.605 1.342 ( 0.000 0.000 -6.634) 6.634 1.471 ( 0.000 0.000 -13.209) 13.209 1.489 ( 0.000 0.000 2.168) 2.168 1.953 ( 0.000 0.000 4.230) 4.230 1.970 ( 0.000 0.000 0.213) 0.213 2.012 ( 0.000 0.000 -1.108) 1.108 2.195 ( 0.000 0.000 -16.566) 16.566 2.271 ( 0.000 0.000 -5.373) 5.373 2.369 ( 0.000 0.000 3.190) 3.190 2.518 ( 0.000 0.000 -3.892) 3.892 2.573 ( 0.000 0.000 -1.600) 1.600 2.718 ( 0.000 0.000 7.179) 7.179 2.956 ( 0.000 0.000 1.090) 1.090 3.144 ( 0.000 0.000 9.803) 9.803 3.643 ( 0.000 0.000 -3.181) 3.181 4.203 ( 0.000 0.000 0.464) 0.464 4.245 ( 0.000 0.000 -0.395) 0.395 5.872 ( 0.000 0.000 0.195) 0.195 5.880 ( 0.000 0.000 0.022) 0.022 7.671 ( 0.000 0.000 0.180) 0.180 7.687 ( 0.000 0.000 -0.148) 0.148 11.741 ( 0.000 0.000 5.612) 5.612 12.403 ( 0.000 0.000 -9.180) 9.180 13.387 ( 0.000 0.000 4.173) 4.173 13.622 ( 0.000 0.000 -1.626) 1.626 14.781 ( 0.000 0.000 2.428) 2.428 14.968 ( 0.000 0.000 -1.263) 1.263 15.231 ( 0.000 0.000 0.102) 0.102 15.298 ( 0.000 0.000 -1.538) 1.538 19.695 ( 0.000 0.000 0.423) 0.423 19.732 ( 0.000 0.000 -0.345) 0.345 20.276 ( 0.000 0.000 0.814) 0.814 20.348 ( 0.000 0.000 -0.699) 0.699 22.835 ( 0.000 0.000 1.007) 1.007 22.991 ( 0.000 0.000 -2.723) 2.723 23.422 ( 0.000 0.000 2.535) 2.535 23.539 ( 0.000 0.000 -0.421) 0.421 43.612 ( 0.000 0.000 1.972) 1.972 43.806 ( 0.000 0.000 -2.125) 2.125 44.698 ( 0.000 0.000 4.218) 4.218 45.297 ( 0.000 0.000 -11.767) 11.767 46.017 ( 0.000 0.000 11.120) 11.120 46.580 ( 0.000 0.000 -4.164) 4.164 46.820 ( 0.000 0.000 0.790) 0.790 46.868 ( 0.000 0.000 -0.082) 0.082 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 10.233 0.000 12.359) 16.046 0.555 ( 11.229 0.000 13.932) 17.894 0.810 ( 19.559 0.000 18.157) 26.688 1.348 ( 0.327 0.000 -6.120) 6.129 1.458 ( -3.244 0.000 0.802) 3.341 1.493 ( 1.169 0.000 -12.086) 12.143 1.937 ( -2.933 0.000 0.532) 2.980 1.976 ( 2.337 0.000 0.736) 2.450 1.999 ( -1.412 0.000 -1.031) 1.748 2.107 ( -6.891 0.000 -8.722) 11.116 2.264 ( 0.252 0.000 -7.220) 7.224 2.390 ( 1.994 0.000 2.599) 3.275 2.544 ( 0.429 0.000 -3.424) 3.451 2.568 ( -0.516 0.000 -1.456) 1.545 2.704 ( -0.136 0.000 7.862) 7.864 3.028 ( 3.356 0.000 3.602) 4.923 3.192 ( 3.784 0.000 1.364) 4.023 3.527 ( -9.314 0.000 0.032) 9.315 4.207 ( 0.313 0.000 0.242) 0.396 4.235 ( -0.399 0.000 -0.715) 0.819 5.876 ( 0.264 0.000 0.315) 0.411 5.883 ( 0.293 0.000 0.066) 0.301 7.673 ( 0.162 0.000 0.165) 0.231 7.687 ( 0.011 0.000 -0.132) 0.132 11.707 ( -1.511 0.000 3.872) 4.156 12.154 ( -13.609 0.000 3.938) 14.168 13.405 ( 2.075 0.000 3.479) 4.051 13.610 ( -1.183 0.000 -1.391) 1.826 14.793 ( 1.239 0.000 2.242) 2.561 14.975 ( 0.533 0.000 -1.396) 1.494 15.240 ( 0.871 0.000 0.110) 0.878 15.293 ( -0.397 0.000 -1.187) 1.252 19.700 ( 0.437 0.000 0.287) 0.522 19.728 ( -0.290 0.000 -0.316) 0.428 20.278 ( 0.148 0.000 0.766) 0.780 20.342 ( -0.644 0.000 -0.585) 0.870 22.910 ( 3.750 0.000 -0.021) 3.750 23.114 ( 4.680 0.000 2.465) 5.290 23.488 ( 5.178 0.000 -8.160) 9.664 23.647 ( 8.215 0.000 -8.057) 11.507 43.664 ( 7.739 0.000 3.444) 8.471 44.236 ( 27.277 0.000 -23.891) 36.260 44.667 ( -3.178 0.000 4.337) 5.377 45.303 ( 0.367 0.000 -13.164) 13.170 45.979 ( -3.240 0.000 12.763) 13.168 46.496 ( -11.187 0.000 3.184) 11.631 46.699 ( -4.437 0.000 6.612) 7.963 46.822 ( -1.139 0.000 1.259) 1.698 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 13.333 0.000 4.234) 13.990 0.805 ( 13.542 0.000 7.691) 15.574 1.208 ( 18.048 0.000 11.235) 21.259 1.336 ( -2.142 0.000 -4.236) 4.746 1.363 ( -3.695 0.000 2.123) 4.261 1.532 ( 2.842 0.000 -10.669) 11.041 1.880 ( -2.316 0.000 0.692) 2.417 1.944 ( -7.258 0.000 -12.064) 14.079 1.959 ( -2.636 0.000 -0.994) 2.817 2.042 ( 0.481 0.000 0.862) 0.987 2.254 ( -1.021 0.000 -0.673) 1.223 2.436 ( 2.597 0.000 1.491) 2.995 2.526 ( -3.012 0.000 3.466) 4.592 2.553 ( -1.111 0.000 -1.043) 1.524 2.727 ( 3.384 0.000 0.182) 3.389 3.065 ( 0.617 0.000 5.402) 5.437 3.240 ( 0.771 0.000 0.786) 1.101 3.349 ( -8.075 0.000 -1.784) 8.269 4.214 ( 0.420 0.000 -0.387) 0.571 4.233 ( 0.013 0.000 -1.145) 1.145 5.881 ( 0.286 0.000 0.508) 0.583 5.889 ( 0.231 0.000 0.192) 0.300 7.677 ( 0.248 0.000 0.120) 0.276 7.687 ( -0.033 0.000 -0.087) 0.093 11.723 ( 2.790 0.000 -0.753) 2.889 11.973 ( -6.481 0.000 2.006) 6.785 13.456 ( 2.834 0.000 1.982) 3.458 13.581 ( -1.732 0.000 -0.839) 1.925 14.828 ( 2.424 0.000 1.619) 2.915 14.976 ( -0.798 0.000 -1.408) 1.618 15.262 ( 1.225 0.000 0.120) 1.231 15.288 ( -0.034 0.000 -0.474) 0.475 19.709 ( 0.441 0.000 0.004) 0.441 19.722 ( -0.294 0.000 -0.269) 0.398 20.283 ( 0.357 0.000 0.621) 0.716 20.326 ( -0.959 0.000 -0.295) 1.004 22.985 ( 3.988 0.000 3.156) 5.086 23.139 ( -0.615 0.000 7.361) 7.386 23.588 ( 4.957 0.000 -6.983) 8.563 23.743 ( 1.630 0.000 -10.245) 10.374 43.878 ( 13.358 0.000 3.995) 13.942 44.556 ( -5.250 0.000 1.177) 5.380 44.674 ( 15.682 0.000 -19.515) 25.035 45.287 ( -2.797 0.000 -15.970) 16.213 45.932 ( -0.720 0.000 13.967) 13.986 46.266 ( -10.553 0.000 10.397) 14.814 46.694 ( 1.519 0.000 1.462) 2.108 46.796 ( -1.496 0.000 0.621) 1.620 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 11.361 0.000 0.976) 11.403 1.054 ( 11.794 0.000 3.220) 12.226 1.175 ( -8.882 0.000 1.178) 8.959 1.245 ( -7.493 0.000 -0.738) 7.529 1.593 ( 9.518 0.000 -1.348) 9.613 1.618 ( 7.672 0.000 1.668) 7.851 1.819 ( -2.218 0.000 -11.850) 12.056 1.866 ( 0.877 0.000 -0.134) 0.888 1.904 ( -2.743 0.000 -0.822) 2.863 1.964 ( -9.138 0.000 -4.060) 9.999 2.284 ( 4.840 0.000 6.714) 8.276 2.414 ( -7.509 0.000 8.063) 11.018 2.485 ( 2.343 0.000 0.455) 2.387 2.525 ( -1.763 0.000 -0.397) 1.807 2.850 ( 8.445 0.000 -4.283) 9.469 3.012 ( -6.875 0.000 -0.520) 6.895 3.234 ( 0.288 0.000 3.249) 3.262 3.260 ( -1.938 0.000 -0.242) 1.953 4.223 ( 0.499 0.000 -0.950) 1.073 4.231 ( -0.268 0.000 -1.149) 1.180 5.887 ( 0.293 0.000 0.486) 0.567 5.891 ( -0.076 0.000 0.347) 0.355 7.681 ( 0.228 0.000 0.054) 0.235 7.685 ( -0.133 0.000 -0.021) 0.134 11.792 ( 3.962 0.000 -2.038) 4.456 11.872 ( -4.390 0.000 -0.788) 4.460 13.507 ( 2.294 0.000 0.715) 2.403 13.546 ( -1.861 0.000 -0.169) 1.868 14.883 ( 3.113 0.000 0.548) 3.161 14.941 ( -2.623 0.000 -0.669) 2.707 15.282 ( 0.772 0.000 0.092) 0.778 15.289 ( -0.004 0.000 -0.045) 0.045 19.715 ( 0.200 0.000 -0.201) 0.283 19.718 ( -0.147 0.000 -0.251) 0.291 20.292 ( 0.637 0.000 0.382) 0.742 20.307 ( -0.899 0.000 0.060) 0.901 23.058 ( 3.373 0.000 5.604) 6.541 23.112 ( -2.099 0.000 6.954) 7.264 23.674 ( 3.888 0.000 -6.608) 7.667 23.734 ( -2.095 0.000 -7.839) 8.114 44.148 ( 13.741 0.000 4.382) 14.423 44.389 ( -10.847 0.000 4.240) 11.646 44.958 ( 13.041 0.000 -18.042) 22.262 45.174 ( -8.903 0.000 -16.897) 19.099 45.969 ( 4.447 0.000 12.336) 13.113 46.090 ( -7.780 0.000 10.834) 13.338 46.729 ( 1.921 0.000 0.447) 1.972 46.765 ( -1.729 0.000 0.319) 1.759 ======================= Grid point 84 (29/72) ======================= q-point: ( 0.00 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 5.923 15.547) 16.637 0.533 ( 0.000 11.752 12.784) 17.365 1.028 ( 0.000 33.454 13.045) 35.908 1.431 ( 0.000 3.895 -5.709) 6.911 1.433 ( 0.000 -2.755 -10.415) 10.773 1.576 ( 0.000 10.058 0.621) 10.077 1.824 ( 0.000 -4.758 -0.897) 4.842 1.960 ( 0.000 -2.945 -5.593) 6.321 2.130 ( 0.000 6.216 4.885) 7.906 2.212 ( 0.000 0.773 -7.152) 7.194 2.230 ( 0.000 1.812 -8.202) 8.400 2.424 ( 0.000 3.584 -1.004) 3.722 2.589 ( 0.000 7.912 -1.546) 8.061 2.697 ( 0.000 -0.009 8.150) 8.150 2.763 ( 0.000 10.336 -3.279) 10.843 2.938 ( 0.000 -1.042 0.771) 1.296 3.105 ( 0.000 -2.192 8.338) 8.621 3.341 ( 0.000 -9.474 3.935) 10.259 4.147 ( 0.000 -5.265 0.316) 5.274 4.175 ( 0.000 -6.386 -0.352) 6.395 5.777 ( 0.000 -8.557 0.073) 8.557 5.783 ( 0.000 -8.491 -0.237) 8.495 7.620 ( 0.000 -5.093 0.240) 5.099 7.634 ( 0.000 -5.199 -0.096) 5.200 11.641 ( 0.000 -7.204 3.161) 7.867 11.766 ( 0.000 -14.312 5.375) 15.288 13.231 ( 0.000 -12.905 2.940) 13.235 13.372 ( 0.000 -20.365 -0.369) 20.368 15.192 ( 0.000 18.666 1.232) 18.707 15.365 ( 0.000 31.359 -1.840) 31.413 15.573 ( 0.000 25.081 -1.042) 25.102 15.582 ( 0.000 35.721 -4.096) 35.955 19.627 ( 0.000 -6.392 0.519) 6.413 19.674 ( 0.000 -5.723 -0.474) 5.743 20.226 ( 0.000 -4.794 0.875) 4.873 20.305 ( 0.000 -4.553 -0.668) 4.601 22.790 ( 0.000 -3.147 -0.182) 3.152 22.834 ( 0.000 -6.160 -2.469) 6.637 23.172 ( 0.000 -6.813 9.768) 11.909 23.457 ( 0.000 -7.050 -0.528) 7.069 43.597 ( 0.000 -0.554 1.272) 1.388 43.616 ( 0.000 -8.005 4.675) 9.271 44.658 ( 0.000 -3.439 3.653) 5.017 45.169 ( 0.000 -10.937 -9.239) 14.317 45.216 ( 0.000 -30.469 26.039) 40.079 45.866 ( 0.000 -13.023 6.329) 14.480 46.460 ( 0.000 -26.837 -1.993) 26.911 46.487 ( 0.000 -10.375 -2.013) 10.569 ======================= Grid point 85 (30/72) ======================= q-point: ( 0.14 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 8.680 7.232 10.236) 15.246 0.692 ( 12.795 6.965 11.321) 18.450 1.132 ( 10.005 28.958 11.001) 32.552 1.413 ( -2.180 2.451 -3.681) 4.931 1.446 ( 1.314 -2.356 -9.014) 9.409 1.579 ( 0.466 11.890 -1.324) 11.972 1.831 ( 0.122 -4.380 -2.804) 5.202 1.949 ( -1.182 -2.547 -5.956) 6.585 2.112 ( -1.294 6.059 5.031) 7.981 2.150 ( -4.124 1.936 -5.084) 6.827 2.260 ( 0.897 1.225 -6.990) 7.153 2.432 ( 0.978 2.826 -1.345) 3.279 2.579 ( -0.907 6.919 0.045) 6.978 2.686 ( -1.943 0.830 5.302) 5.708 2.752 ( -0.053 10.448 -1.319) 10.531 2.979 ( 2.949 -3.001 1.530) 4.477 3.131 ( 2.421 -4.103 4.878) 6.818 3.307 ( -3.316 -7.900 3.447) 9.235 4.150 ( 0.299 -5.298 0.152) 5.308 4.170 ( -0.431 -6.234 -0.376) 6.260 5.777 ( 0.047 -8.710 0.100) 8.710 5.783 ( 0.044 -8.624 0.001) 8.624 7.622 ( 0.173 -5.061 0.211) 5.068 7.635 ( 0.125 -5.131 -0.115) 5.134 11.631 ( -0.236 -5.778 1.996) 6.118 11.777 ( 0.494 -13.787 3.937) 14.346 13.247 ( 1.536 -13.585 2.402) 13.881 13.366 ( -0.552 -19.893 -0.337) 19.904 15.189 ( -0.402 18.201 0.779) 18.222 15.321 ( -4.540 33.821 -1.953) 34.180 15.551 ( -1.736 30.771 -1.782) 30.872 15.579 ( 0.471 26.273 -0.946) 26.295 19.640 ( 1.226 -5.614 0.221) 5.751 19.664 ( -0.832 -6.290 -0.287) 6.351 20.229 ( 0.271 -4.682 0.780) 4.754 20.297 ( -0.756 -4.611 -0.575) 4.708 22.855 ( 2.811 -4.398 -1.444) 5.416 22.960 ( 12.722 -11.884 -2.005) 17.524 23.172 ( 0.874 -9.110 7.628) 11.914 23.479 ( 1.910 -8.127 -0.943) 8.402 43.635 ( 7.304 -2.160 2.948) 8.167 43.927 ( 24.240 -17.932 -5.596) 30.667 44.624 ( -3.543 -3.653 3.745) 6.318 45.160 ( -0.507 -12.936 -8.152) 15.299 45.279 ( 5.574 -30.929 23.142) 39.029 45.840 ( -2.533 -13.332 7.436) 15.475 46.461 ( 0.091 -26.435 -1.944) 26.506 46.488 ( -0.001 -11.330 -1.998) 11.505 ======================= Grid point 86 (31/72) ======================= q-point: ( 0.29 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 11.844 4.506 4.750) 13.533 0.963 ( 14.253 7.036 7.877) 17.740 1.315 ( -2.400 5.626 0.975) 6.194 1.396 ( 10.537 14.214 5.239) 18.453 1.478 ( 1.580 -0.559 -4.554) 4.853 1.583 ( -0.740 14.090 -4.585) 14.836 1.810 ( -1.808 -4.450 -5.020) 6.948 1.910 ( -3.055 -0.026 -8.753) 9.271 2.064 ( -3.292 6.652 -2.797) 7.932 2.122 ( 1.609 3.028 6.828) 7.641 2.246 ( -2.176 0.476 -3.179) 3.882 2.466 ( 2.087 2.248 -0.749) 3.157 2.543 ( -3.704 2.676 4.430) 6.364 2.631 ( -2.678 4.727 0.135) 5.434 2.773 ( 2.366 7.276 -2.038) 7.918 3.018 ( 0.455 -3.499 1.391) 3.792 3.176 ( 1.467 -6.773 1.672) 7.129 3.233 ( -3.300 -3.428 3.178) 5.722 4.156 ( 0.267 -5.454 -0.263) 5.467 4.164 ( -0.118 -6.255 -0.479) 6.274 5.780 ( 0.207 -9.039 0.237) 9.045 5.784 ( 0.073 -8.896 0.229) 8.899 7.626 ( 0.297 -4.982 0.139) 4.992 7.637 ( 0.048 -4.967 -0.109) 4.969 11.648 ( 1.901 -5.938 0.211) 6.238 11.773 ( -0.953 -11.160 1.630) 11.319 13.282 ( 1.857 -15.052 1.270) 15.219 13.352 ( -0.856 -18.829 -0.281) 18.850 15.171 ( -1.504 17.590 -0.086) 17.654 15.217 ( -5.132 30.730 -1.083) 31.174 15.542 ( 0.706 26.030 -0.015) 26.040 15.589 ( 0.432 26.709 -0.623) 26.720 19.650 ( -0.375 -6.959 -0.018) 6.969 19.663 ( 0.814 -4.535 -0.274) 4.616 20.236 ( 0.450 -4.512 0.570) 4.570 20.279 ( -0.981 -4.674 -0.312) 4.786 22.922 ( 3.906 -5.029 1.533) 6.550 23.085 ( 0.041 -4.683 5.997) 7.609 23.295 ( 10.226 -20.969 -4.654) 23.789 23.514 ( 1.316 -10.625 -2.264) 10.943 43.838 ( 12.796 -3.130 3.355) 13.593 44.400 ( 21.856 -22.248 -15.327) 34.750 44.521 ( -6.836 -4.633 4.101) 9.220 45.130 ( -3.409 -13.863 -12.660) 19.081 45.416 ( 8.103 -32.915 21.686) 40.241 45.776 ( -3.876 -15.146 10.233) 18.685 46.464 ( 0.256 -25.136 -1.833) 25.204 46.486 ( -0.195 -14.093 -1.945) 14.227 ======================= Grid point 87 (32/72) ======================= q-point: ( 0.43 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 10.463 2.852 1.847) 11.001 1.169 ( -4.068 3.175 2.374) 5.680 1.246 ( 8.442 8.262 3.171) 12.230 1.437 ( -7.405 9.204 3.053) 12.201 1.584 ( 2.362 2.585 -6.007) 6.952 1.594 ( 4.725 4.253 1.018) 6.438 1.800 ( 1.510 0.081 -8.032) 8.173 1.849 ( -2.688 2.971 -10.560) 11.294 2.039 ( 1.568 9.639 1.076) 9.825 2.116 ( -4.201 8.785 0.581) 9.755 2.251 ( 4.893 -2.410 5.933) 8.059 2.392 ( -8.327 -0.582 7.712) 11.365 2.538 ( 2.794 3.380 -0.343) 4.399 2.588 ( -2.256 5.113 -0.735) 5.636 2.853 ( 5.722 2.683 -4.647) 7.844 2.969 ( -5.289 -2.210 -3.302) 6.615 3.187 ( 0.865 -3.972 3.954) 5.671 3.206 ( -0.684 -2.971 3.419) 4.581 4.160 ( 0.201 -5.890 -0.626) 5.927 4.163 ( -0.065 -6.126 -0.607) 6.157 5.784 ( 0.161 -9.185 0.320) 9.192 5.785 ( 0.000 -9.147 0.311) 9.152 7.632 ( 0.283 -4.889 0.046) 4.898 7.636 ( -0.134 -4.864 -0.047) 4.866 11.695 ( 2.681 -7.313 -0.351) 7.797 11.743 ( -2.120 -8.828 0.101) 9.079 13.313 ( 1.337 -16.474 0.304) 16.531 13.335 ( -0.957 -17.669 -0.160) 17.695 15.142 ( -1.008 19.423 -0.534) 19.456 15.148 ( -1.828 22.371 -0.518) 22.451 15.566 ( 1.450 25.251 0.214) 25.294 15.588 ( -0.672 26.152 -0.171) 26.161 19.654 ( 0.628 -6.279 -0.107) 6.311 19.666 ( -0.427 -4.846 -0.379) 4.879 20.246 ( 0.641 -4.507 0.320) 4.564 20.261 ( -0.864 -4.608 0.023) 4.688 22.997 ( 3.637 -4.990 4.136) 7.432 23.057 ( -2.450 -4.572 5.833) 7.805 23.453 ( 5.580 -17.940 -5.465) 19.567 23.517 ( -1.329 -13.817 -3.986) 14.441 44.099 ( 13.478 -3.968 3.720) 14.534 44.340 ( -10.990 -4.187 3.667) 12.319 44.766 ( 15.382 -18.456 -16.201) 28.978 45.007 ( -9.444 -15.499 -15.137) 23.633 45.571 ( 7.364 -27.971 16.964) 33.532 45.691 ( -5.103 -20.276 13.258) 24.758 46.471 ( 0.425 -22.397 -1.778) 22.471 46.480 ( -0.419 -18.240 -1.846) 18.338 ======================= Grid point 91 (33/72) ======================= q-point: ( 0.00 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 13.267 5.464) 14.348 0.843 ( 0.000 17.482 6.287) 18.578 1.398 ( 0.000 1.704 -5.313) 5.580 1.504 ( 0.000 4.599 -6.299) 7.800 1.682 ( 0.000 26.513 5.825) 27.145 1.718 ( 0.000 0.898 -7.853) 7.904 1.759 ( 0.000 -1.789 -1.925) 2.628 1.992 ( 0.000 6.609 1.256) 6.727 2.174 ( 0.000 1.363 -2.390) 2.751 2.244 ( 0.000 0.289 -3.442) 3.454 2.311 ( 0.000 5.428 1.149) 5.549 2.463 ( 0.000 -0.405 -0.025) 0.406 2.737 ( 0.000 4.368 4.258) 6.100 2.776 ( 0.000 6.432 1.049) 6.517 2.958 ( 0.000 3.889 -1.862) 4.312 2.997 ( 0.000 11.742 -2.437) 11.993 3.171 ( 0.000 11.498 4.494) 12.345 3.236 ( 0.000 -1.526 2.195) 2.674 3.997 ( 0.000 -10.702 0.362) 10.708 4.004 ( 0.000 -8.441 0.174) 8.443 5.569 ( 0.000 -10.490 0.056) 10.491 5.575 ( 0.000 -10.553 -0.129) 10.554 7.464 ( 0.000 -10.174 0.223) 10.176 7.474 ( 0.000 -10.435 -0.015) 10.435 11.551 ( 0.000 -0.395 0.868) 0.953 11.651 ( 0.000 -0.177 -1.027) 1.042 12.926 ( 0.000 -15.695 1.461) 15.763 12.928 ( 0.000 -21.454 1.227) 21.489 15.658 ( 0.000 26.418 8.602) 27.783 16.002 ( 0.000 33.328 1.143) 33.348 16.207 ( 0.000 34.948 -1.730) 34.991 16.612 ( 0.000 58.661 -10.355) 59.568 19.462 ( 0.000 -8.777 0.375) 8.785 19.496 ( 0.000 -11.813 -0.318) 11.817 20.086 ( 0.000 -8.948 1.126) 9.019 20.160 ( 0.000 -9.736 -0.311) 9.741 22.754 ( 0.000 0.100 -1.274) 1.278 22.764 ( 0.000 -1.418 -3.265) 3.560 23.066 ( 0.000 -3.883 6.443) 7.522 23.308 ( 0.000 -6.492 -0.597) 6.519 43.553 ( 0.000 1.373 2.515) 2.865 43.637 ( 0.000 5.339 -0.054) 5.340 44.585 ( 0.000 -3.038 2.397) 3.869 44.946 ( 0.000 -9.008 -5.612) 10.613 44.968 ( 0.000 -2.123 8.604) 8.862 45.589 ( 0.000 -11.568 -3.028) 11.958 46.024 ( 0.000 -13.763 1.991) 13.906 46.257 ( 0.000 -10.767 -2.122) 10.974 ======================= Grid point 92 (34/72) ======================= q-point: ( 0.14 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 6.478 11.293 5.026) 13.956 0.909 ( 6.640 14.475 5.834) 16.960 1.409 ( 0.730 0.967 -4.914) 5.061 1.483 ( -1.936 5.043 -3.930) 6.680 1.702 ( 0.305 5.466 -3.703) 6.609 1.740 ( 4.508 16.993 -1.141) 17.617 1.804 ( 3.056 2.075 -3.097) 4.821 1.993 ( 0.278 7.546 1.267) 7.657 2.152 ( -1.791 1.325 -0.774) 2.359 2.215 ( -2.513 1.866 -2.855) 4.236 2.306 ( -0.796 3.697 0.903) 3.888 2.469 ( 0.658 -0.505 -0.439) 0.938 2.701 ( -3.129 5.866 3.001) 7.294 2.773 ( -0.960 3.955 1.265) 4.262 2.977 ( 1.542 4.720 -1.993) 5.350 3.008 ( 1.396 12.083 -1.505) 12.256 3.161 ( -0.983 8.881 4.345) 9.936 3.225 ( -0.984 0.638 2.224) 2.514 3.995 ( -0.146 -10.501 0.356) 10.508 4.005 ( 0.162 -8.544 0.109) 8.546 5.568 ( -0.045 -10.459 0.053) 10.459 5.574 ( -0.093 -10.564 -0.029) 10.565 7.466 ( 0.243 -10.144 0.199) 10.149 7.477 ( 0.249 -10.381 -0.034) 10.384 11.553 ( 0.299 -0.309 0.922) 1.017 11.649 ( -0.223 -0.954 -0.726) 1.220 12.926 ( 0.105 -17.538 1.042) 17.569 12.932 ( 0.261 -20.010 1.050) 20.039 15.652 ( -0.707 26.410 7.040) 27.341 15.982 ( -2.228 33.210 1.295) 33.310 16.217 ( 0.836 35.168 -1.901) 35.229 16.495 ( -10.655 54.740 -8.387) 56.394 19.473 ( -1.934 -12.409 0.145) 12.559 19.491 ( 2.454 -8.285 -0.230) 8.644 20.091 ( 0.460 -8.876 0.861) 8.930 20.149 ( -0.963 -9.962 -0.277) 10.013 22.781 ( 2.033 -1.864 -2.160) 3.503 22.831 ( 7.027 -1.923 -1.676) 7.475 23.056 ( -0.916 -3.790 5.952) 7.115 23.316 ( 0.659 -6.794 -0.975) 6.895 43.617 ( 6.620 1.426 2.381) 7.179 43.769 ( 12.715 1.232 -1.092) 12.821 44.548 ( -3.756 -3.009 2.448) 5.399 44.922 ( -1.780 -8.722 -4.637) 10.037 45.013 ( 3.644 -3.298 7.236) 8.747 45.573 ( -1.669 -10.839 -1.142) 11.026 46.021 ( -0.127 -14.111 1.074) 14.152 46.245 ( -1.336 -11.051 -2.251) 11.357 ======================= Grid point 93 (35/72) ======================= q-point: ( 0.29 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 9.346 8.508 3.900) 13.227 1.085 ( 10.897 8.025 4.736) 14.338 1.381 ( -4.254 2.895 -1.787) 5.447 1.465 ( 0.413 2.773 -1.917) 3.397 1.703 ( -0.466 0.135 -6.694) 6.712 1.807 ( -0.906 5.317 -8.518) 10.082 1.870 ( 4.991 16.048 -0.107) 16.806 2.011 ( 1.418 10.056 0.158) 10.157 2.133 ( 0.270 1.732 0.664) 1.875 2.179 ( 0.151 2.140 0.076) 2.147 2.278 ( -1.831 3.461 1.868) 4.339 2.486 ( 0.822 -2.246 -0.922) 2.564 2.624 ( -4.445 8.307 2.180) 9.670 2.731 ( -3.297 1.738 -0.260) 3.736 3.007 ( 1.580 8.371 -1.207) 8.604 3.045 ( 1.767 11.891 -0.957) 12.059 3.141 ( -0.716 3.021 4.313) 5.315 3.202 ( -1.336 3.936 2.374) 4.787 3.993 ( 0.025 -10.090 0.245) 10.093 4.008 ( -0.006 -8.839 -0.041) 8.839 5.568 ( -0.001 -10.470 0.091) 10.471 5.572 ( -0.100 -10.587 0.126) 10.588 7.473 ( 0.399 -10.073 0.134) 10.082 7.482 ( 0.231 -10.235 -0.060) 10.238 11.565 ( 0.972 -0.691 1.075) 1.606 11.640 ( -0.783 -2.220 -0.034) 2.354 12.930 ( 0.252 -18.076 0.403) 18.082 12.936 ( 0.135 -20.250 0.378) 20.254 15.632 ( -0.935 26.825 3.478) 27.066 15.898 ( -7.053 34.507 -0.126) 35.221 16.220 ( -1.223 36.099 -2.419) 36.201 16.301 ( -6.409 43.300 -2.314) 43.832 19.444 ( -0.463 -13.111 0.756) 13.141 19.530 ( 0.922 -8.263 -1.094) 8.386 20.100 ( 0.368 -8.929 0.379) 8.945 20.129 ( -0.957 -10.196 -0.184) 10.242 22.835 ( 3.409 -2.577 0.059) 4.274 22.980 ( 5.084 -4.169 0.949) 6.643 23.047 ( 2.316 -5.087 1.757) 5.859 23.320 ( -0.672 -7.494 -1.831) 7.743 43.796 ( 11.355 0.094 2.545) 11.637 44.081 ( 18.183 -5.375 -4.067) 19.392 44.440 ( -7.411 -2.778 2.688) 8.358 44.859 ( -5.292 -9.903 -7.197) 13.337 45.108 ( 6.315 -4.366 8.975) 11.811 45.518 ( -4.227 -9.369 3.422) 10.833 46.029 ( 1.216 -14.542 -1.109) 14.635 46.205 ( -2.740 -11.851 -2.591) 12.437 ======================= Grid point 94 (36/72) ======================= q-point: ( 0.43 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 9.224 6.690 2.357) 11.636 1.263 ( -6.537 6.039 1.081) 8.965 1.304 ( 9.619 1.565 3.147) 10.241 1.448 ( -3.705 -0.031 1.746) 4.095 1.693 ( 0.325 2.540 -8.043) 8.441 1.740 ( -4.172 5.431 -8.323) 10.778 1.957 ( 3.694 11.879 -3.584) 12.946 2.012 ( -1.756 10.311 -3.846) 11.144 2.159 ( 2.445 1.566 1.411) 3.228 2.206 ( -1.410 -0.012 1.040) 1.753 2.294 ( 6.419 8.049 4.796) 11.357 2.440 ( -6.578 2.165 2.523) 7.371 2.590 ( 1.989 5.292 -1.180) 5.775 2.656 ( -4.064 1.299 -1.609) 4.560 3.036 ( 1.356 10.238 -0.514) 10.340 3.056 ( -0.554 12.071 -0.688) 12.103 3.147 ( 1.233 1.196 3.798) 4.168 3.175 ( -1.453 3.924 2.863) 5.071 3.997 ( 0.338 -9.687 0.014) 9.693 4.004 ( -0.332 -9.262 -0.118) 9.268 5.569 ( 0.070 -10.556 0.162) 10.557 5.570 ( -0.092 -10.599 0.189) 10.601 7.480 ( 0.332 -10.023 0.041) 10.029 7.484 ( -0.045 -10.079 -0.038) 10.079 11.590 ( 1.489 -1.753 1.088) 2.544 11.619 ( -1.381 -2.560 0.689) 2.989 12.934 ( 0.220 -19.124 -0.133) 19.125 12.937 ( -0.057 -19.713 -0.143) 19.713 15.638 ( 2.242 28.907 0.160) 28.995 15.737 ( -7.791 33.040 -1.490) 33.979 16.204 ( 0.748 35.374 0.013) 35.381 16.238 ( -2.221 35.886 0.351) 35.956 19.465 ( 2.468 -12.075 0.199) 12.327 19.517 ( -2.144 -9.811 -0.935) 10.086 20.105 ( 0.299 -9.451 0.098) 9.456 20.114 ( -0.603 -9.970 -0.031) 9.988 22.906 ( 3.643 -3.029 2.360) 5.293 22.969 ( -2.714 -3.163 4.091) 5.840 23.176 ( 6.973 -8.057 -2.935) 11.053 23.280 ( -3.649 -8.172 -2.625) 9.327 44.033 ( 12.467 -1.513 2.650) 12.835 44.259 ( -10.411 -2.932 2.115) 11.021 44.431 ( 16.284 -8.664 -6.149) 19.443 44.701 ( -11.190 -10.111 -7.922) 17.035 45.252 ( 8.178 -6.468 9.193) 13.901 45.406 ( -7.231 -8.130 7.454) 13.189 46.073 ( 3.159 -14.082 -2.688) 14.680 46.142 ( -3.668 -12.979 -2.928) 13.802 ======================= Grid point 98 (37/72) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 15.974 -1.694) 16.064 1.204 ( 0.000 16.982 3.166) 17.275 1.504 ( 0.000 8.568 -1.624) 8.721 1.623 ( 0.000 5.735 -13.718) 14.868 1.716 ( 0.000 2.125 -5.576) 5.967 1.726 ( 0.000 -1.166 -3.057) 3.272 2.071 ( 0.000 10.439 -0.334) 10.444 2.111 ( 0.000 3.524 3.580) 5.024 2.243 ( 0.000 5.920 -0.389) 5.933 2.273 ( 0.000 2.251 -0.555) 2.318 2.412 ( 0.000 5.153 3.641) 6.309 2.427 ( 0.000 -1.819 3.019) 3.525 2.823 ( 0.000 0.429 1.789) 1.840 2.865 ( 0.000 7.719 0.386) 7.729 3.091 ( 0.000 7.877 -1.080) 7.951 3.105 ( 0.000 -0.366 -1.989) 2.022 3.355 ( 0.000 9.760 3.497) 10.367 3.482 ( 0.000 13.936 -0.171) 13.937 3.766 ( 0.000 -10.816 1.539) 10.925 3.818 ( 0.000 -9.325 0.379) 9.332 5.419 ( 0.000 -2.151 0.114) 2.154 5.420 ( 0.000 -2.770 0.099) 2.772 7.207 ( 0.000 -15.053 0.118) 15.053 7.209 ( 0.000 -15.577 0.067) 15.578 11.624 ( 0.000 6.812 -0.123) 6.813 11.709 ( 0.000 5.088 -1.938) 5.445 12.538 ( 0.000 -16.286 2.189) 16.433 12.624 ( 0.000 -13.519 0.480) 13.527 16.246 ( 0.000 30.789 14.326) 33.959 16.722 ( 0.000 36.637 1.363) 36.662 16.941 ( 0.000 36.336 -2.229) 36.404 17.772 ( 0.000 51.416 -17.635) 54.356 19.196 ( 0.000 -17.283 1.493) 17.348 19.306 ( 0.000 -6.090 -0.954) 6.164 19.861 ( 0.000 -13.006 2.038) 13.165 19.911 ( 0.000 -14.496 1.705) 14.596 22.770 ( 0.000 2.023 -2.334) 3.089 22.794 ( 0.000 3.459 -1.671) 3.842 23.019 ( 0.000 -0.678 4.743) 4.791 23.214 ( 0.000 -2.798 -0.514) 2.845 43.672 ( 0.000 10.259 2.274) 10.508 43.830 ( 0.000 13.442 -1.198) 13.496 44.554 ( 0.000 0.075 1.629) 1.631 44.827 ( 0.000 -3.223 -4.208) 5.301 45.036 ( 0.000 8.105 4.819) 9.429 45.447 ( 0.000 -2.764 -3.617) 4.552 45.871 ( 0.000 -2.673 2.597) 3.727 46.073 ( 0.000 -7.606 -1.652) 7.784 ======================= Grid point 99 (38/72) ======================= q-point: ( 0.14 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 3.058 14.585 -1.691) 14.997 1.232 ( 2.817 15.921 3.261) 16.494 1.490 ( -1.301 6.851 -4.137) 8.108 1.621 ( -0.706 7.739 -3.211) 8.409 1.677 ( 0.053 -0.676 -11.136) 11.156 1.815 ( 4.968 1.967 -4.420) 6.934 2.075 ( -0.121 7.139 0.505) 7.158 2.117 ( 0.835 3.669 0.427) 3.787 2.220 ( -0.940 5.513 0.078) 5.593 2.279 ( -0.489 4.815 -0.449) 4.860 2.384 ( -2.044 2.755 3.675) 5.028 2.439 ( 0.786 -0.123 3.086) 3.186 2.802 ( -2.032 0.817 1.171) 2.483 2.849 ( -1.603 8.070 0.368) 8.236 3.098 ( 0.519 7.017 -0.207) 7.039 3.112 ( 0.734 -0.468 -0.446) 0.978 3.357 ( 0.380 11.114 2.921) 11.498 3.487 ( 0.336 14.370 -0.459) 14.381 3.767 ( 0.154 -10.764 1.381) 10.854 3.816 ( -0.186 -9.610 0.332) 9.617 5.418 ( -0.073 -2.505 0.107) 2.508 5.420 ( 0.003 -2.389 0.131) 2.393 7.209 ( 0.272 -15.069 0.107) 15.072 7.213 ( 0.353 -15.518 0.054) 15.522 11.625 ( 0.030 6.604 0.083) 6.604 11.694 ( -1.370 4.669 -1.301) 5.036 12.545 ( 0.682 -16.247 1.736) 16.353 12.612 ( -1.151 -14.046 0.333) 14.097 16.240 ( -0.568 30.810 12.120) 33.113 16.694 ( -2.670 36.288 1.827) 36.432 16.953 ( 0.956 36.252 -2.307) 36.338 17.592 ( -16.824 49.642 -14.754) 54.453 19.165 ( -2.732 -17.608 1.875) 17.917 19.332 ( 1.806 -6.943 -1.699) 7.373 19.861 ( -0.019 -13.888 1.340) 13.952 19.894 ( -1.404 -14.676 1.451) 14.814 22.784 ( 1.531 2.034 -1.643) 3.030 22.846 ( 4.912 2.761 -1.831) 5.925 23.014 ( -0.568 -0.412 4.473) 4.528 23.221 ( 0.495 -2.759 -0.804) 2.917 43.726 ( 5.442 9.535 2.331) 11.223 43.917 ( 8.545 12.077 -1.779) 14.901 44.523 ( -3.216 0.550 1.780) 3.716 44.809 ( -1.765 -2.786 -4.278) 5.402 45.065 ( 2.768 7.562 4.623) 9.286 45.440 ( -0.846 -2.565 -1.907) 3.306 45.867 ( -0.320 -2.596 1.617) 3.075 46.062 ( -1.095 -7.099 -1.798) 7.404 ======================= Grid point 100 (39/72) ======================= q-point: ( 0.29 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 5.925 11.125 -1.736) 12.724 1.308 ( 4.706 12.298 2.543) 13.411 1.456 ( -2.221 5.922 -4.792) 7.935 1.598 ( -1.748 7.621 2.480) 8.203 1.702 ( 2.106 2.330 -11.497) 11.919 1.882 ( 0.943 3.973 -6.797) 7.929 2.069 ( 0.052 2.844 1.320) 3.136 2.129 ( 0.445 2.166 0.176) 2.218 2.234 ( 0.621 5.499 -1.126) 5.648 2.244 ( -1.415 4.975 -1.389) 5.356 2.357 ( -0.490 2.108 2.981) 3.684 2.454 ( 0.517 0.096 1.772) 1.848 2.757 ( -2.119 3.001 1.093) 3.833 2.810 ( -2.213 8.969 0.665) 9.262 3.107 ( 0.412 5.194 1.707) 5.483 3.126 ( 0.433 -0.335 2.539) 2.598 3.376 ( 1.674 13.668 1.284) 13.830 3.487 ( -0.499 15.285 -0.825) 15.316 3.772 ( 0.362 -10.724 0.958) 10.773 3.810 ( -0.490 -10.187 0.209) 10.201 5.417 ( -0.040 -2.515 0.144) 2.519 5.420 ( -0.038 -2.334 0.151) 2.339 7.216 ( 0.426 -15.079 0.082) 15.085 7.221 ( 0.398 -15.406 0.016) 15.411 11.625 ( -0.006 5.890 0.607) 5.921 11.663 ( -1.632 3.959 0.024) 4.282 12.559 ( 0.632 -16.192 0.744) 16.221 12.588 ( -1.141 -15.122 -0.001) 15.165 16.232 ( 0.316 31.424 6.807) 32.154 16.617 ( -5.856 36.075 1.106) 36.564 16.962 ( -0.430 36.332 -2.178) 36.400 17.228 ( -17.525 44.664 -7.214) 48.518 19.125 ( -0.453 -18.041 2.174) 18.177 19.339 ( -1.598 -10.268 -2.448) 10.676 19.857 ( -0.477 -15.917 0.439) 15.930 19.870 ( -0.906 -14.306 0.537) 14.345 22.828 ( 2.878 1.807 -0.057) 3.398 22.953 ( 4.149 1.067 -0.175) 4.288 23.006 ( 1.178 0.323 1.903) 2.261 23.222 ( -0.689 -2.484 -1.444) 2.955 43.871 ( 9.180 7.506 2.398) 12.098 44.132 ( 12.464 8.104 -3.429) 15.257 44.434 ( -5.518 2.445 2.274) 6.449 44.755 ( -4.179 -1.405 -5.070) 6.719 45.133 ( 4.160 6.108 5.115) 8.987 45.407 ( -2.730 -1.637 2.152) 3.842 45.870 ( 0.933 -2.626 -0.759) 2.888 46.028 ( -2.432 -5.896 -2.215) 6.752 ======================= Grid point 101 (40/72) ======================= q-point: ( 0.43 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 6.673 7.398 -2.374) 10.242 1.352 ( -3.245 4.731 -3.295) 6.616 1.449 ( 4.153 10.566 2.073) 11.540 1.542 ( -4.146 8.232 2.719) 9.610 1.759 ( 3.837 4.845 -9.038) 10.950 1.843 ( -4.160 5.584 -8.251) 10.797 2.088 ( 1.745 1.392 1.747) 2.834 2.126 ( -1.580 2.133 3.292) 4.229 2.216 ( 1.331 2.477 -2.675) 3.881 2.252 ( -1.150 4.360 -1.381) 4.716 2.379 ( 2.928 0.359 -0.905) 3.085 2.439 ( -2.340 -0.656 -1.312) 2.761 2.740 ( 0.604 7.464 2.252) 7.819 2.769 ( -1.973 9.496 1.668) 9.841 3.115 ( 0.466 3.140 3.564) 4.773 3.125 ( -0.454 0.953 4.214) 4.344 3.420 ( 2.562 15.265 -0.219) 15.480 3.465 ( -1.861 15.736 -0.814) 15.866 3.782 ( 0.676 -10.768 0.482) 10.800 3.797 ( -0.791 -10.648 0.200) 10.679 5.417 ( 0.043 -2.448 0.173) 2.455 5.419 ( -0.074 -2.377 0.170) 2.385 7.224 ( 0.288 -15.137 0.037) 15.139 7.226 ( 0.097 -15.259 0.003) 15.260 11.626 ( 0.246 4.780 1.094) 4.909 11.637 ( -0.966 3.924 0.989) 4.160 12.567 ( 0.231 -16.156 -0.071) 16.158 12.572 ( -0.418 -15.916 -0.251) 15.923 16.282 ( 5.540 33.510 1.177) 33.985 16.449 ( -10.561 36.088 -1.668) 37.639 16.948 ( 0.254 36.874 -0.065) 36.875 17.004 ( -5.977 38.305 0.380) 38.770 19.166 ( 4.499 -17.248 0.646) 17.837 19.269 ( -5.212 -14.450 -1.668) 15.452 19.850 ( -0.047 -15.964 0.048) 15.964 19.856 ( -0.586 -15.107 -0.141) 15.119 22.889 ( 3.213 1.398 1.661) 3.877 22.945 ( -2.371 0.854 2.977) 3.900 23.100 ( 5.536 -0.516 -2.274) 6.007 23.186 ( -3.159 -1.766 -2.040) 4.154 44.063 ( 10.136 4.728 2.121) 11.384 44.238 ( -6.310 1.669 0.233) 6.531 44.438 ( 10.091 6.611 -2.753) 12.374 44.634 ( -8.489 1.849 -5.328) 10.192 45.226 ( 5.383 3.416 5.937) 8.712 45.331 ( -5.022 0.480 5.321) 7.332 45.908 ( 2.865 -3.293 -2.488) 5.024 45.971 ( -3.367 -4.505 -2.674) 6.228 ======================= Grid point 105 (41/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 14.585 -4.910) 15.390 1.487 ( 0.000 9.662 0.795) 9.694 1.682 ( 0.000 2.211 -15.235) 15.394 1.696 ( 0.000 3.022 -2.454) 3.893 1.714 ( 0.000 5.939 -0.446) 5.955 1.885 ( 0.000 11.772 -5.148) 12.849 2.158 ( 0.000 2.095 2.014) 2.906 2.190 ( 0.000 3.402 -4.186) 5.395 2.248 ( 0.000 -5.039 4.025) 6.449 2.352 ( 0.000 3.189 1.324) 3.453 2.459 ( 0.000 4.623 1.953) 5.018 2.524 ( 0.000 5.010 1.287) 5.173 2.841 ( 0.000 1.836 3.492) 3.945 3.034 ( 0.000 8.500 -1.224) 8.588 3.100 ( 0.000 1.016 0.464) 1.117 3.245 ( 0.000 6.731 -1.762) 6.958 3.375 ( 0.000 -8.206 4.699) 9.456 3.580 ( 0.000 -5.534 -0.576) 5.564 3.639 ( 0.000 -2.185 1.960) 2.936 3.665 ( 0.000 -4.859 1.214) 5.008 5.524 ( 0.000 13.274 0.374) 13.280 5.544 ( 0.000 14.402 -0.048) 14.402 6.843 ( 0.000 -20.245 0.204) 20.246 6.854 ( 0.000 -19.502 -0.028) 19.502 11.792 ( 0.000 8.811 -1.205) 8.893 11.829 ( 0.000 6.063 -1.830) 6.334 12.272 ( 0.000 -9.842 2.680) 10.200 12.383 ( 0.000 -10.152 0.233) 10.155 16.893 ( 0.000 32.255 14.793) 35.486 17.464 ( 0.000 35.344 0.034) 35.345 17.661 ( 0.000 33.683 -2.990) 33.815 18.530 ( 0.000 11.643 -20.036) 23.173 18.866 ( 0.000 -5.668 2.680) 6.269 19.194 ( 0.000 -7.116 -1.442) 7.261 19.583 ( 0.000 -12.443 1.761) 12.566 19.588 ( 0.000 -15.990 5.908) 17.046 22.840 ( 0.000 4.366 -2.139) 4.861 22.876 ( 0.000 4.047 -1.933) 4.485 23.032 ( 0.000 1.613 4.033) 4.343 23.175 ( 0.000 -1.604 0.053) 1.605 43.957 ( 0.000 16.982 2.173) 17.121 44.151 ( 0.000 16.687 -1.878) 16.792 44.575 ( 0.000 1.355 1.368) 1.925 44.768 ( 0.000 -3.903 -2.909) 4.868 45.269 ( 0.000 13.934 2.606) 14.176 45.442 ( 0.000 1.949 -0.403) 1.990 45.851 ( 0.000 -1.044 0.094) 1.048 45.921 ( 0.000 -8.035 -0.963) 8.093 ======================= Grid point 106 (42/72) ======================= q-point: ( 0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 1.132 14.043 -5.293) 15.050 1.505 ( 1.497 9.762 0.513) 9.890 1.643 ( -2.178 5.758 -9.722) 11.507 1.691 ( -0.401 1.893 -4.913) 5.281 1.755 ( 2.981 6.088 -3.136) 7.469 1.925 ( 3.475 8.248 -3.266) 9.528 2.135 ( -2.003 1.869 1.646) 3.196 2.173 ( -1.777 0.651 -2.461) 3.105 2.277 ( 2.754 -0.985 1.085) 3.120 2.351 ( -0.482 2.150 1.239) 2.528 2.429 ( -2.941 4.465 1.848) 5.657 2.504 ( -1.849 3.463 0.991) 4.049 2.839 ( 0.031 2.998 3.378) 4.517 3.019 ( -1.477 8.520 -1.438) 8.766 3.115 ( 1.559 1.661 1.683) 2.833 3.243 ( -0.180 6.695 -0.397) 6.709 3.393 ( 1.750 -7.949 3.557) 8.883 3.585 ( 0.250 -6.702 -0.584) 6.732 3.641 ( 0.215 -2.224 1.777) 2.855 3.669 ( 0.416 -3.196 0.982) 3.370 5.525 ( 0.080 13.379 0.358) 13.384 5.543 ( -0.088 14.375 -0.031) 14.375 6.847 ( 0.407 -20.227 0.176) 20.232 6.856 ( 0.238 -19.546 -0.012) 19.547 11.788 ( -0.459 8.595 -0.918) 8.656 11.812 ( -1.615 6.228 -1.185) 6.542 12.276 ( 0.311 -10.287 2.162) 10.517 12.363 ( -1.877 -10.380 0.146) 10.549 16.887 ( -0.470 32.192 12.889) 34.679 17.435 ( -2.795 35.624 0.447) 35.736 17.669 ( 0.665 33.426 -2.540) 33.529 18.388 ( -14.343 22.128 -19.124) 32.575 18.798 ( -5.279 -13.338 5.527) 15.373 19.192 ( -1.364 -8.560 -2.883) 9.135 19.531 ( -3.780 -17.383 3.710) 18.172 19.575 ( -1.771 -15.610 2.474) 15.903 22.855 ( 1.603 4.511 -1.633) 5.059 22.917 ( 3.862 3.556 -2.017) 5.624 23.032 ( 0.002 1.897 3.771) 4.221 23.183 ( 0.673 -1.547 -0.204) 1.699 43.995 ( 3.755 16.119 2.198) 16.696 44.209 ( 5.570 15.057 -2.333) 16.223 44.557 ( -1.731 2.171 1.504) 3.157 44.760 ( -0.772 -3.369 -2.963) 4.553 45.288 ( 1.749 13.340 2.379) 13.663 45.444 ( 0.102 2.732 0.931) 2.889 45.847 ( -0.212 -1.162 -0.632) 1.339 45.927 ( 0.427 -6.923 -1.009) 7.009 ======================= Grid point 107 (43/72) ======================= q-point: ( 0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 2.520 12.300 -6.155) 13.983 1.520 ( -0.581 8.502 -3.738) 9.306 1.623 ( 0.523 7.892 -4.770) 9.237 1.693 ( 0.461 3.132 -4.724) 5.686 1.817 ( 3.410 6.473 -2.162) 7.629 1.987 ( 1.790 5.369 -1.191) 5.783 2.102 ( -0.760 2.387 1.426) 2.882 2.140 ( -0.627 -1.782 -2.753) 3.339 2.295 ( -4.965 2.662 -0.513) 5.657 2.329 ( 0.712 0.284 1.521) 1.703 2.389 ( -0.023 3.609 0.845) 3.707 2.459 ( -2.400 0.056 0.088) 2.402 2.851 ( 1.339 5.224 3.031) 6.186 2.985 ( -1.971 8.256 -1.021) 8.549 3.153 ( 2.099 3.623 3.517) 5.469 3.236 ( -0.619 6.774 1.747) 7.023 3.437 ( 2.733 -8.157 1.345) 8.707 3.579 ( -1.015 -8.763 -0.701) 8.849 3.648 ( 0.611 -1.639 1.471) 2.285 3.679 ( 0.462 -0.518 0.718) 0.998 5.527 ( 0.173 13.633 0.305) 13.638 5.541 ( -0.183 14.292 0.023) 14.293 6.857 ( 0.524 -20.165 0.113) 20.172 6.862 ( 0.318 -19.679 0.017) 19.682 11.774 ( -1.048 7.659 -0.095) 7.731 11.777 ( -1.512 7.036 0.052) 7.197 12.281 ( 0.217 -11.193 1.030) 11.243 12.322 ( -2.034 -10.962 -0.046) 11.149 16.890 ( 1.512 32.607 8.033) 33.616 17.357 ( -5.808 36.030 0.060) 36.495 17.679 ( 0.218 33.535 -1.560) 33.572 18.036 ( -19.154 32.705 -10.539) 39.339 18.722 ( -1.486 -20.446 4.868) 21.070 19.105 ( -7.595 -13.331 -3.567) 15.752 19.474 ( -1.676 -21.173 1.880) 21.322 19.532 ( -2.411 -18.638 0.753) 18.808 22.898 ( 2.703 4.647 -0.427) 5.393 22.997 ( 2.817 2.746 -0.233) 3.941 23.038 ( 1.750 2.244 1.277) 3.119 23.191 ( -0.089 -1.211 -0.809) 1.459 44.094 ( 6.181 13.687 2.129) 15.168 44.331 ( 5.274 9.988 -2.917) 11.666 44.522 ( -0.737 5.043 1.319) 5.264 44.736 ( -1.825 -1.925 -3.263) 4.205 45.328 ( 2.269 12.012 2.588) 12.495 45.443 ( -0.383 5.142 3.602) 6.290 45.850 ( 0.726 -1.020 -1.948) 2.316 45.929 ( -0.422 -4.894 -1.459) 5.124 ======================= Grid point 108 (44/72) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 3.371 9.714 -6.996) 12.436 1.483 ( -2.863 7.805 -7.180) 10.985 1.655 ( 2.203 7.871 -1.375) 8.289 1.691 ( -1.084 5.141 -2.471) 5.806 1.890 ( 4.113 6.693 -2.280) 8.180 1.966 ( -3.252 5.498 -1.957) 6.681 2.111 ( 1.978 1.905 1.227) 3.008 2.173 ( -0.860 2.844 1.410) 3.289 2.200 ( 0.382 -2.538 -2.115) 3.326 2.286 ( -4.438 -0.946 0.215) 4.543 2.410 ( 1.228 2.473 -0.761) 2.865 2.429 ( -0.864 -0.232 0.079) 0.898 2.891 ( 2.615 6.634 1.964) 7.397 2.942 ( -2.481 7.577 0.380) 7.982 3.190 ( 1.738 5.723 4.164) 7.288 3.219 ( -1.183 6.766 3.312) 7.626 3.494 ( 2.983 -9.180 -0.467) 9.664 3.546 ( -2.295 -9.630 -0.985) 9.948 3.664 ( 0.937 -0.301 1.281) 1.615 3.679 ( -0.491 0.387 0.968) 1.152 5.531 ( 0.248 13.916 0.216) 13.920 5.536 ( -0.252 14.143 0.111) 14.146 6.865 ( 0.277 -20.044 0.058) 20.046 6.866 ( 0.113 -19.871 0.035) 19.872 11.755 ( -0.435 7.026 0.883) 7.094 11.758 ( -0.693 7.563 0.699) 7.627 12.284 ( 0.159 -11.751 0.114) 11.753 12.293 ( -0.917 -11.585 -0.167) 11.623 16.976 ( 7.949 34.021 2.103) 35.000 17.183 ( -11.753 35.506 -1.804) 37.444 17.684 ( 0.999 34.887 0.335) 34.903 17.760 ( -8.186 35.176 -0.558) 36.120 18.765 ( 5.912 -22.055 1.416) 22.877 18.927 ( -9.844 -19.291 -2.087) 21.758 19.465 ( 0.533 -21.780 0.240) 21.788 19.489 ( -1.883 -20.854 -0.236) 20.941 22.952 ( 2.671 4.384 0.951) 5.221 22.995 ( -1.580 3.665 2.058) 4.490 23.112 ( 4.023 0.812 -1.778) 4.473 23.172 ( -2.050 -0.416 -1.439) 2.539 44.221 ( 6.601 10.267 1.665) 12.319 44.333 ( -4.307 7.106 0.251) 8.314 44.583 ( 5.752 5.343 -2.425) 8.216 44.682 ( -3.973 0.920 -3.545) 5.404 45.375 ( 2.568 10.495 3.983) 11.515 45.421 ( -1.897 8.212 4.851) 9.725 45.875 ( 1.724 -1.428 -2.573) 3.411 45.909 ( -1.540 -2.853 -2.176) 3.905 ======================= Grid point 112 (45/72) ======================= q-point: ( 0.00 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 8.554 -8.116) 11.791 1.602 ( 0.000 2.709 -3.144) 4.151 1.681 ( 0.000 -0.475 -2.048) 2.102 1.711 ( 0.000 -0.757 -10.913) 10.939 1.892 ( 0.000 8.190 0.095) 8.191 2.039 ( 0.000 -3.466 -1.528) 3.788 2.179 ( 0.000 3.597 3.449) 4.983 2.226 ( 0.000 -0.113 -1.203) 1.209 2.226 ( 0.000 5.277 -2.403) 5.798 2.348 ( 0.000 -3.837 -1.954) 4.306 2.551 ( 0.000 3.521 0.797) 3.610 2.584 ( 0.000 0.543 -0.529) 0.759 2.920 ( 0.000 6.408 5.250) 8.284 3.082 ( 0.000 -6.615 3.287) 7.387 3.217 ( 0.000 6.981 -0.335) 6.989 3.261 ( 0.000 5.350 2.568) 5.935 3.326 ( 0.000 -1.274 -2.266) 2.600 3.440 ( 0.000 -6.732 -1.072) 6.817 3.530 ( 0.000 -5.211 4.045) 6.597 3.568 ( 0.000 -4.642 2.379) 5.216 5.911 ( 0.000 22.791 0.462) 22.795 5.944 ( 0.000 22.845 -0.242) 22.846 6.394 ( 0.000 -23.446 0.412) 23.450 6.419 ( 0.000 -22.800 -0.140) 22.801 11.937 ( 0.000 4.183 -2.157) 4.707 11.947 ( 0.000 4.930 -3.145) 5.848 12.139 ( 0.000 -2.491 3.465) 4.268 12.206 ( 0.000 -7.201 1.281) 7.314 17.540 ( 0.000 30.741 9.870) 32.286 18.027 ( 0.000 1.458 -3.429) 3.726 18.267 ( 0.000 22.702 -7.546) 23.924 18.292 ( 0.000 -0.997 2.928) 3.093 18.900 ( 0.000 -8.852 -4.196) 9.796 18.920 ( 0.000 -17.017 7.369) 18.544 19.397 ( 0.000 0.129 0.407) 0.427 19.441 ( 0.000 -2.683 -4.559) 5.290 22.922 ( 0.000 2.951 -2.692) 3.994 22.937 ( 0.000 1.506 -2.345) 2.787 23.076 ( 0.000 2.599 3.406) 4.285 23.133 ( 0.000 -2.659 1.551) 3.079 44.318 ( 0.000 17.018 1.032) 17.049 44.441 ( 0.000 9.965 -1.689) 10.107 44.578 ( 0.000 -1.793 0.712) 1.929 44.627 ( 0.000 -10.195 -0.167) 10.197 45.535 ( 0.000 7.450 0.639) 7.477 45.558 ( 0.000 13.143 0.253) 13.145 45.732 ( 0.000 -10.151 0.027) 10.151 45.775 ( 0.000 -7.057 -0.793) 7.101 ======================= Grid point 113 (46/72) ======================= q-point: ( 0.14 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.713 9.026 -8.169) 12.194 1.626 ( 2.192 2.742 -3.245) 4.780 1.695 ( 0.816 -0.133 -5.223) 5.288 1.710 ( 0.222 -0.223 -8.918) 8.924 1.897 ( 0.618 6.673 0.786) 6.748 2.020 ( -1.208 -3.314 -2.334) 4.229 2.161 ( -1.653 3.833 3.493) 5.443 2.202 ( -1.217 2.546 -0.365) 2.845 2.271 ( 2.764 0.787 -0.193) 2.880 2.339 ( -1.090 -3.450 -1.625) 3.966 2.520 ( -2.831 3.526 0.450) 4.544 2.551 ( -3.096 0.712 -0.781) 3.272 2.934 ( 1.406 6.979 4.123) 8.227 3.108 ( 2.274 -6.886 2.597) 7.702 3.199 ( -1.574 7.031 -1.216) 7.306 3.259 ( 0.282 2.297 3.275) 4.010 3.354 ( 2.080 1.565 -1.289) 2.905 3.443 ( 0.043 -4.559 -0.508) 4.587 3.537 ( 0.767 -6.036 3.341) 6.941 3.574 ( 0.631 -5.225 2.371) 5.772 5.914 ( 0.293 22.889 0.429) 22.895 5.944 ( -0.033 22.924 -0.205) 22.925 6.398 ( 0.394 -23.489 0.370) 23.495 6.421 ( 0.108 -22.883 -0.119) 22.884 11.928 ( -0.843 4.841 -1.660) 5.186 11.943 ( -0.387 5.204 -2.698) 5.874 12.126 ( -1.198 -3.629 3.035) 4.880 12.184 ( -2.156 -7.231 1.095) 7.625 17.532 ( -0.592 30.546 9.044) 31.862 18.018 ( -0.402 1.982 -2.442) 3.171 18.237 ( -3.512 11.058 1.024) 11.647 18.298 ( 0.826 12.061 -6.038) 13.513 18.846 ( -5.491 -4.044 -2.273) 7.188 18.899 ( -2.623 -17.089 2.675) 17.495 19.260 ( -12.642 -3.165 2.530) 13.276 19.346 ( -9.100 -7.029 -3.785) 12.105 22.943 ( 2.026 3.320 -2.335) 4.537 22.968 ( 2.904 0.959 -2.284) 3.817 23.081 ( 0.469 2.813 3.124) 4.230 23.141 ( 0.721 -2.728 1.282) 3.099 44.338 ( 2.015 16.262 1.025) 16.418 44.464 ( 2.157 8.561 -1.707) 8.991 44.577 ( -0.136 -1.087 0.683) 1.291 44.630 ( 0.322 -9.654 -0.325) 9.665 45.542 ( 0.832 9.360 0.707) 9.423 45.579 ( 1.839 11.537 0.663) 11.702 45.742 ( 1.052 -9.240 -0.409) 9.309 45.786 ( 0.997 -7.276 -0.633) 7.371 ======================= Grid point 114 (47/72) ======================= q-point: ( 0.29 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.101 9.324 -8.510) 12.671 1.662 ( 0.289 4.970 -4.400) 6.644 1.699 ( 1.075 -0.146 -10.883) 10.937 1.728 ( 0.804 -0.820 -4.825) 4.960 1.923 ( 2.200 3.990 1.506) 4.799 2.017 ( 1.104 -4.275 -1.603) 4.698 2.120 ( -2.615 4.088 2.886) 5.646 2.186 ( -0.267 2.199 -0.213) 2.226 2.282 ( -2.713 -0.801 2.676) 3.894 2.334 ( 1.798 -2.068 0.451) 2.777 2.455 ( -4.076 3.300 1.394) 5.426 2.485 ( -3.087 0.923 -0.957) 3.361 2.973 ( 2.617 7.757 1.457) 8.316 3.139 ( -0.434 2.518 -1.867) 3.164 3.186 ( 1.362 -3.755 1.823) 4.391 3.272 ( 0.779 0.025 2.878) 2.982 3.390 ( 1.447 3.544 0.036) 3.828 3.436 ( -0.650 0.351 0.434) 0.857 3.556 ( 1.111 -6.954 2.461) 7.460 3.589 ( 0.753 -6.652 2.276) 7.070 5.921 ( 0.459 23.105 0.336) 23.112 5.942 ( -0.137 23.106 -0.106) 23.107 6.407 ( 0.556 -23.562 0.264) 23.570 6.423 ( 0.084 -23.105 -0.061) 23.105 11.912 ( -0.672 6.297 -0.468) 6.350 11.932 ( -0.707 6.387 -1.403) 6.577 12.098 ( -1.466 -6.376 1.830) 6.793 12.133 ( -2.707 -7.660 0.601) 8.146 17.540 ( 2.249 30.671 6.530) 31.439 18.024 ( -0.313 15.040 -2.146) 15.196 18.146 ( -4.135 -3.335 1.453) 5.507 18.316 ( 1.122 17.532 -5.937) 18.544 18.677 ( -11.948 13.855 -1.851) 18.389 18.778 ( -11.505 -13.975 -0.360) 18.105 19.027 ( -7.615 -19.832 4.142) 21.644 19.146 ( -9.684 -18.258 -1.454) 20.718 22.993 ( 2.920 3.948 -1.422) 5.113 23.035 ( 3.685 0.091 -1.844) 4.122 23.089 ( 0.310 3.043 2.236) 3.789 23.153 ( 0.319 -2.715 0.573) 2.793 44.389 ( 3.028 14.105 0.937) 14.457 44.504 ( 1.094 6.351 -1.142) 6.544 44.580 ( 0.820 -0.432 0.090) 0.931 44.636 ( 0.150 -8.195 -0.680) 8.225 45.569 ( 1.949 10.950 1.147) 11.181 45.616 ( 1.626 10.696 1.293) 10.896 45.770 ( 1.668 -7.593 -1.102) 7.852 45.807 ( 0.954 -7.245 -0.560) 7.329 ======================= Grid point 115 (48/72) ======================= q-point: ( 0.43 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.343 8.508 -8.564) 12.147 1.643 ( -1.494 7.000 -8.023) 10.752 1.726 ( 0.920 -1.289 -7.690) 7.851 1.734 ( -0.057 -1.320 -6.537) 6.669 1.983 ( 3.745 3.240 1.806) 5.272 2.051 ( -1.441 2.859 1.307) 3.458 2.072 ( 1.575 -3.514 0.092) 3.852 2.152 ( -4.200 -4.460 -0.820) 6.181 2.268 ( 2.761 7.113 2.984) 8.193 2.345 ( -3.451 5.233 2.286) 6.672 2.392 ( 0.786 -2.974 2.517) 3.975 2.434 ( -2.480 -1.428 1.076) 3.058 3.034 ( 3.516 8.326 -0.579) 9.056 3.100 ( -2.987 8.306 -1.538) 8.960 3.233 ( 2.677 -9.405 0.708) 9.804 3.272 ( -1.078 -5.576 1.317) 5.830 3.410 ( 0.815 5.566 1.178) 5.747 3.424 ( -0.600 6.107 1.508) 6.319 3.579 ( 1.125 -7.634 2.165) 8.015 3.594 ( -0.335 -7.559 2.160) 7.869 5.930 ( 0.451 23.269 0.196) 23.274 5.938 ( -0.309 23.263 0.037) 23.265 6.417 ( 0.419 -23.545 0.137) 23.549 6.423 ( -0.129 -23.370 0.025) 23.371 11.907 ( 0.213 7.676 0.487) 7.695 11.918 ( -0.771 7.798 0.142) 7.837 12.079 ( -0.334 -8.642 0.487) 8.662 12.090 ( -1.518 -8.618 0.134) 8.752 17.647 ( 9.154 31.404 2.369) 32.796 17.874 ( -12.629 31.737 -2.245) 34.232 18.221 ( 10.201 -17.826 1.190) 20.573 18.353 ( 3.097 15.985 -2.352) 16.451 18.451 ( -9.986 23.935 0.570) 25.941 18.498 ( -14.367 -13.234 0.179) 19.534 18.970 ( 0.143 -26.576 0.626) 26.584 19.012 ( -4.262 -25.808 -0.345) 26.159 23.046 ( 2.328 4.238 -0.188) 4.839 23.077 ( -0.532 3.817 0.804) 3.937 23.109 ( 2.444 -1.308 -0.894) 2.913 23.146 ( -1.139 -2.341 -0.335) 2.626 44.448 ( 2.862 10.986 0.676) 11.373 44.494 ( -1.733 7.754 0.146) 7.947 44.609 ( 1.657 -2.907 -0.981) 3.487 44.632 ( -0.654 -5.960 -1.006) 6.079 45.609 ( 1.878 11.374 1.573) 11.635 45.631 ( -0.212 10.882 1.672) 11.011 45.800 ( 1.349 -6.623 -1.248) 6.873 45.816 ( -0.141 -6.745 -0.867) 6.802 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.000 0.000 17.024) 17.024 0.820 ( 0.000 0.000 16.434) 16.434 1.079 ( 0.000 0.000 12.682) 12.682 1.134 ( 0.000 0.000 -12.241) 12.241 1.180 ( 0.000 0.000 -5.155) 5.155 1.488 ( 0.000 0.000 -7.155) 7.155 1.865 ( 0.000 0.000 -8.139) 8.139 1.903 ( 0.000 0.000 -6.316) 6.316 1.977 ( 0.000 0.000 0.440) 0.440 1.990 ( 0.000 0.000 -0.799) 0.799 2.287 ( 0.000 0.000 5.290) 5.290 2.413 ( 0.000 0.000 -5.637) 5.637 2.448 ( 0.000 0.000 3.767) 3.767 2.523 ( 0.000 0.000 -2.973) 2.973 2.855 ( 0.000 0.000 5.136) 5.136 2.937 ( 0.000 0.000 -2.400) 2.400 3.366 ( 0.000 0.000 9.443) 9.443 3.539 ( 0.000 0.000 -6.385) 6.385 4.217 ( 0.000 0.000 0.730) 0.730 4.233 ( 0.000 0.000 -0.688) 0.688 5.877 ( 0.000 0.000 0.214) 0.214 5.880 ( 0.000 0.000 -0.080) 0.080 7.676 ( 0.000 0.000 0.275) 0.275 7.682 ( 0.000 0.000 -0.255) 0.255 11.915 ( 0.000 0.000 10.116) 10.116 12.162 ( 0.000 0.000 -11.989) 11.989 13.485 ( 0.000 0.000 4.443) 4.443 13.570 ( 0.000 0.000 -3.202) 3.202 14.850 ( 0.000 0.000 3.604) 3.604 14.923 ( 0.000 0.000 -2.870) 2.870 15.238 ( 0.000 0.000 0.621) 0.621 15.262 ( 0.000 0.000 -1.522) 1.522 19.707 ( 0.000 0.000 0.643) 0.643 19.721 ( 0.000 0.000 -0.595) 0.595 20.300 ( 0.000 0.000 1.255) 1.255 20.327 ( 0.000 0.000 -1.185) 1.185 22.869 ( 0.000 0.000 2.105) 2.105 22.925 ( 0.000 0.000 -2.989) 2.989 23.480 ( 0.000 0.000 2.444) 2.444 23.522 ( 0.000 0.000 -1.317) 1.317 43.671 ( 0.000 0.000 3.234) 3.234 43.744 ( 0.000 0.000 -3.321) 3.321 44.832 ( 0.000 0.000 8.033) 8.033 45.041 ( 0.000 0.000 -11.035) 11.035 46.256 ( 0.000 0.000 10.231) 10.231 46.451 ( 0.000 0.000 -7.564) 7.564 46.841 ( 0.000 0.000 1.027) 1.027 46.860 ( 0.000 0.000 -0.636) 0.636 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 3.245 0.000 16.157) 16.480 0.875 ( 5.315 0.000 14.418) 15.367 1.144 ( 4.056 0.000 -6.654) 7.793 1.157 ( 2.135 0.000 -11.164) 11.367 1.258 ( 9.290 0.000 9.531) 13.309 1.490 ( -0.454 0.000 -2.010) 2.061 1.842 ( -3.602 0.000 -7.406) 8.236 1.874 ( -0.370 0.000 -9.414) 9.422 1.953 ( -2.253 0.000 0.892) 2.423 1.975 ( -1.613 0.000 -1.098) 1.951 2.300 ( 1.405 0.000 6.371) 6.524 2.438 ( 1.597 0.000 -5.848) 6.062 2.457 ( 0.843 0.000 3.265) 3.372 2.523 ( -0.022 0.000 -2.663) 2.663 2.864 ( 0.675 0.000 6.478) 6.513 2.984 ( 3.972 0.000 -4.503) 6.004 3.338 ( -2.612 0.000 7.739) 8.168 3.474 ( -6.208 0.000 -4.551) 7.698 4.214 ( -0.256 0.000 0.371) 0.451 4.223 ( -0.726 0.000 -0.474) 0.867 5.882 ( 0.430 0.000 0.200) 0.475 5.884 ( 0.396 0.000 -0.030) 0.397 7.677 ( 0.115 0.000 0.250) 0.276 7.683 ( 0.057 0.000 -0.230) 0.237 11.858 ( -4.714 0.000 9.153) 10.296 12.067 ( -7.900 0.000 -8.812) 11.835 13.491 ( 0.620 0.000 3.913) 3.962 13.565 ( -0.469 0.000 -2.771) 2.810 14.857 ( 0.725 0.000 3.405) 3.481 14.928 ( 0.410 0.000 -2.890) 2.919 15.247 ( 0.810 0.000 0.524) 0.965 15.265 ( 0.380 0.000 -1.181) 1.241 19.708 ( 0.108 0.000 0.477) 0.489 19.719 ( -0.168 0.000 -0.495) 0.522 20.299 ( -0.031 0.000 1.140) 1.140 20.324 ( -0.337 0.000 -1.029) 1.083 22.953 ( 7.187 0.000 3.658) 8.064 23.058 ( 11.573 0.000 -5.480) 12.805 23.451 ( -1.997 0.000 3.486) 4.017 23.543 ( 1.222 0.000 -4.204) 4.378 43.764 ( 9.681 0.000 5.669) 11.219 43.919 ( 15.429 0.000 -9.166) 17.947 44.806 ( -2.734 0.000 8.370) 8.805 45.026 ( -1.698 0.000 -11.716) 11.838 46.234 ( -2.048 0.000 10.386) 10.586 46.422 ( -3.072 0.000 -6.744) 7.411 46.799 ( -3.602 0.000 2.651) 4.472 46.833 ( -1.986 0.000 -0.526) 2.055 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 6.537 0.000 11.761) 13.456 1.004 ( 7.423 0.000 9.786) 12.283 1.202 ( 1.972 0.000 -7.942) 8.183 1.203 ( 1.910 0.000 -12.867) 13.008 1.453 ( -1.748 0.000 4.773) 5.083 1.495 ( 11.715 0.000 6.265) 13.285 1.746 ( -4.879 0.000 -2.503) 5.483 1.902 ( -2.648 0.000 1.257) 2.931 1.905 ( 2.046 0.000 -10.760) 10.953 1.932 ( -2.657 0.000 -1.394) 3.001 2.341 ( 3.043 0.000 6.395) 7.082 2.473 ( 2.701 0.000 -5.361) 6.003 2.477 ( 1.142 0.000 2.084) 2.376 2.521 ( -0.222 0.000 -1.830) 1.844 2.851 ( -2.837 0.000 8.299) 8.770 3.031 ( -1.127 0.000 -7.267) 7.354 3.292 ( -1.330 0.000 3.823) 4.048 3.342 ( -5.636 0.000 -0.565) 5.664 4.208 ( -0.287 0.000 -0.072) 0.295 4.213 ( -0.280 0.000 -0.599) 0.661 5.890 ( 0.411 0.000 0.283) 0.499 5.892 ( 0.395 0.000 0.057) 0.399 7.680 ( 0.162 0.000 0.178) 0.241 7.684 ( 0.054 0.000 -0.158) 0.167 11.785 ( -2.049 0.000 5.639) 6.000 11.922 ( -6.335 0.000 -5.633) 8.477 13.507 ( 0.933 0.000 2.409) 2.584 13.553 ( -0.708 0.000 -1.721) 1.861 14.876 ( 1.172 0.000 2.576) 2.830 14.932 ( -0.111 0.000 -2.454) 2.457 15.267 ( 1.140 0.000 0.332) 1.188 15.276 ( 0.711 0.000 -0.542) 0.894 19.710 ( 0.085 0.000 0.146) 0.169 19.716 ( -0.191 0.000 -0.307) 0.362 20.299 ( 0.028 0.000 0.828) 0.828 20.316 ( -0.475 0.000 -0.628) 0.788 23.105 ( 7.651 0.000 7.548) 10.747 23.261 ( 7.231 0.000 -1.706) 7.430 23.425 ( 0.123 0.000 -0.697) 0.708 23.555 ( -0.096 0.000 -7.796) 7.797 44.011 ( 14.679 0.000 8.293) 16.859 44.250 ( 17.048 0.000 -14.143) 22.151 44.724 ( -5.708 0.000 8.955) 10.620 44.966 ( -4.807 0.000 -13.179) 14.029 46.192 ( -1.784 0.000 9.649) 9.813 46.335 ( -5.425 0.000 -2.904) 6.153 46.748 ( -1.281 0.000 2.858) 3.132 46.794 ( -1.912 0.000 -1.116) 2.214 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 7.255 0.000 6.036) 9.438 1.138 ( 5.815 0.000 3.999) 7.057 1.180 ( -4.646 0.000 -2.655) 5.351 1.211 ( -1.506 0.000 -2.487) 2.908 1.462 ( 3.827 0.000 -2.217) 4.423 1.564 ( -5.013 0.000 -9.479) 10.723 1.783 ( 8.058 0.000 7.130) 10.760 1.867 ( -0.582 0.000 0.392) 0.702 1.883 ( -2.013 0.000 -0.986) 2.242 1.900 ( -3.219 0.000 -3.461) 4.727 2.431 ( 6.239 0.000 6.480) 8.995 2.498 ( 0.968 0.000 0.693) 1.190 2.513 ( -0.588 0.000 -0.660) 0.883 2.523 ( -0.398 0.000 0.083) 0.407 2.794 ( 0.587 0.000 1.639) 1.741 2.916 ( -8.903 0.000 -7.020) 11.338 3.289 ( 0.405 0.000 1.732) 1.779 3.294 ( -0.336 0.000 1.565) 1.601 4.206 ( 0.062 0.000 -0.438) 0.443 4.209 ( -0.221 0.000 -0.705) 0.739 5.896 ( 0.209 0.000 0.293) 0.359 5.897 ( 0.100 0.000 0.182) 0.208 7.683 ( 0.117 0.000 0.071) 0.137 7.684 ( -0.021 0.000 -0.050) 0.054 11.781 ( 1.295 0.000 1.083) 1.688 11.828 ( -3.509 0.000 -2.700) 4.428 13.524 ( 0.809 0.000 0.810) 1.144 13.539 ( -0.730 0.000 -0.504) 0.887 14.900 ( 1.273 0.000 0.945) 1.586 14.922 ( -0.921 0.000 -1.020) 1.374 15.285 ( 0.625 0.000 0.137) 0.640 15.288 ( 0.325 0.000 -0.108) 0.342 19.711 ( 0.040 0.000 -0.086) 0.095 19.713 ( -0.098 0.000 -0.189) 0.213 20.301 ( 0.194 0.000 0.388) 0.434 20.307 ( -0.388 0.000 -0.119) 0.406 23.229 ( 5.050 0.000 9.603) 10.850 23.299 ( -1.913 0.000 9.110) 9.308 23.478 ( 3.911 0.000 -10.012) 10.749 23.536 ( -1.940 0.000 -9.732) 9.923 44.293 ( 13.598 0.000 8.916) 16.261 44.482 ( -0.646 0.000 -1.611) 1.735 44.645 ( 4.694 0.000 -3.753) 6.010 44.831 ( -9.256 0.000 -13.788) 16.606 46.183 ( 1.107 0.000 6.623) 6.715 46.236 ( -4.288 0.000 2.054) 4.755 46.744 ( 0.565 0.000 0.876) 1.042 46.763 ( -1.316 0.000 -0.626) 1.457 ======================= Grid point 161 (53/72) ======================= q-point: ( 0.00 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 5.057 14.206) 15.079 0.861 ( 0.000 1.202 16.450) 16.493 1.169 ( 0.000 1.596 -12.771) 12.871 1.222 ( 0.000 3.907 -12.860) 13.440 1.357 ( 0.000 23.019 15.948) 28.004 1.608 ( 0.000 10.680 -0.336) 10.685 1.751 ( 0.000 -2.716 -10.297) 10.649 1.760 ( 0.000 -5.967 -4.391) 7.409 2.107 ( 0.000 5.234 -2.217) 5.684 2.109 ( 0.000 4.223 -2.158) 4.742 2.256 ( 0.000 1.621 5.869) 6.089 2.370 ( 0.000 0.446 -4.245) 4.268 2.608 ( 0.000 10.703 2.790) 11.060 2.683 ( 0.000 10.956 -3.771) 11.587 2.840 ( 0.000 -0.703 4.954) 5.004 2.918 ( 0.000 -1.412 -2.257) 2.662 3.281 ( 0.000 -5.681 6.691) 8.778 3.373 ( 0.000 -9.794 -1.466) 9.904 4.156 ( 0.000 -5.576 0.472) 5.596 4.166 ( 0.000 -5.979 -0.465) 5.997 5.779 ( 0.000 -8.699 0.049) 8.699 5.779 ( 0.000 -8.690 -0.057) 8.690 7.626 ( 0.000 -5.049 0.258) 5.056 7.631 ( 0.000 -5.099 -0.192) 5.103 11.730 ( 0.000 -12.183 4.568) 13.011 11.808 ( 0.000 -17.893 -1.631) 17.968 13.302 ( 0.000 -15.208 3.121) 15.525 13.353 ( 0.000 -17.919 -1.502) 17.982 15.233 ( 0.000 27.011 2.552) 27.131 15.301 ( 0.000 34.897 -3.528) 35.075 15.532 ( 0.000 27.381 -0.396) 27.383 15.546 ( 0.000 25.050 -1.218) 25.080 19.642 ( 0.000 -6.200 0.815) 6.253 19.660 ( 0.000 -5.945 -0.788) 5.997 20.252 ( 0.000 -4.654 1.395) 4.859 20.282 ( 0.000 -4.536 -1.321) 4.725 22.789 ( 0.000 -5.280 0.131) 5.282 22.799 ( 0.000 -7.102 -0.920) 7.161 23.346 ( 0.000 -8.502 5.789) 10.286 23.430 ( 0.000 -7.505 -2.266) 7.840 43.632 ( 0.000 -2.500 1.730) 3.041 43.659 ( 0.000 -5.742 -0.251) 5.748 44.776 ( 0.000 -4.909 7.038) 8.581 44.958 ( 0.000 -7.257 -9.448) 11.913 45.739 ( 0.000 -47.024 18.158) 50.408 45.946 ( 0.000 -29.049 -1.184) 29.073 46.414 ( 0.000 -22.381 -1.295) 22.418 46.433 ( 0.000 -12.662 -2.486) 12.904 ======================= Grid point 162 (54/72) ======================= q-point: ( 0.14 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 3.337 4.099 14.385) 15.325 0.969 ( 8.388 2.985 12.277) 15.165 1.187 ( 1.773 3.051 -12.401) 12.893 1.259 ( 3.537 3.301 -10.189) 11.279 1.417 ( 5.739 19.225 13.245) 24.041 1.595 ( -1.508 10.333 1.203) 10.512 1.731 ( -1.215 -5.739 -6.296) 8.605 1.765 ( -0.689 -1.275 -8.463) 8.586 2.080 ( -1.762 5.410 -0.248) 5.695 2.121 ( 0.564 6.437 -4.215) 7.715 2.258 ( 0.408 0.149 6.129) 6.145 2.373 ( 0.467 -0.610 -4.221) 4.291 2.605 ( -0.327 9.967 2.571) 10.299 2.672 ( -1.168 10.130 -3.197) 10.686 2.842 ( -0.132 -0.998 5.566) 5.656 2.942 ( 1.873 -3.095 -3.556) 5.073 3.268 ( -1.115 -4.701 5.613) 7.406 3.341 ( -2.990 -7.862 -0.846) 8.453 4.155 ( -0.107 -5.459 0.264) 5.466 4.161 ( -0.408 -5.748 -0.364) 5.774 5.780 ( 0.198 -8.903 0.154) 8.907 5.783 ( 0.251 -8.813 -0.062) 8.817 7.627 ( 0.126 -5.025 0.247) 5.033 7.632 ( 0.111 -5.053 -0.198) 5.058 11.710 ( -1.559 -9.971 4.575) 11.081 11.794 ( -1.367 -15.226 -2.305) 15.460 13.306 ( 0.354 -15.568 2.622) 15.792 13.350 ( -0.358 -17.857 -1.318) 17.909 15.217 ( -1.663 25.381 1.754) 25.496 15.266 ( -3.371 33.083 -2.695) 33.363 15.534 ( 0.370 26.180 0.278) 26.184 15.553 ( 0.723 25.591 -1.251) 25.631 19.647 ( 0.487 -5.843 0.386) 5.876 19.656 ( -0.299 -6.103 -0.426) 6.125 20.251 ( -0.014 -4.649 1.215) 4.805 20.278 ( -0.425 -4.607 -1.119) 4.759 22.856 ( 5.976 -6.803 1.375) 9.159 22.904 ( 9.908 -9.549 -2.709) 14.025 23.329 ( -1.515 -8.162 6.220) 10.373 23.434 ( 0.206 -8.094 -3.379) 8.773 43.714 ( 8.904 -3.664 4.142) 10.482 43.812 ( 13.735 -7.578 -4.890) 16.431 44.746 ( -3.129 -5.223 7.333) 9.531 44.937 ( -2.249 -7.716 -10.003) 12.832 45.759 ( 1.975 -43.606 16.479) 46.657 45.940 ( -0.551 -27.354 -0.303) 27.361 46.416 ( 0.159 -22.871 -1.285) 22.908 46.434 ( 0.083 -14.284 -2.440) 14.491 ======================= Grid point 163 (55/72) ======================= q-point: ( 0.29 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 6.727 4.009 10.798) 13.339 1.146 ( 8.887 5.148 5.296) 11.555 1.230 ( 2.356 5.113 -6.843) 8.861 1.336 ( 4.080 3.285 -6.211) 8.125 1.548 ( 3.195 8.616 5.085) 10.502 1.555 ( 1.273 12.955 3.826) 13.568 1.699 ( -2.694 -4.156 -6.309) 8.021 1.720 ( -3.525 -1.799 -6.004) 7.191 2.057 ( -0.190 8.042 1.631) 8.208 2.129 ( 0.031 8.947 -4.497) 10.014 2.286 ( 2.962 -2.391 5.934) 7.050 2.402 ( 2.996 -1.771 -4.479) 5.672 2.594 ( -0.936 7.637 1.946) 7.936 2.637 ( -2.638 7.047 -1.479) 7.669 2.818 ( -2.317 -0.018 5.615) 6.074 2.950 ( -2.033 -5.084 -5.677) 7.887 3.254 ( -0.048 -2.874 3.424) 4.471 3.284 ( -2.017 -3.583 0.763) 4.182 4.152 ( -0.211 -5.314 -0.079) 5.319 4.154 ( -0.257 -5.537 -0.326) 5.552 5.785 ( 0.308 -9.226 0.229) 9.234 5.788 ( 0.246 -9.083 0.042) 9.086 7.630 ( 0.192 -4.963 0.189) 4.970 7.634 ( 0.104 -4.954 -0.170) 4.958 11.691 ( -0.141 -6.849 3.304) 7.606 11.762 ( -1.781 -10.410 -2.478) 10.848 13.314 ( 0.407 -16.375 1.487) 16.448 13.340 ( -0.576 -17.738 -0.866) 17.768 15.173 ( -2.548 21.828 0.403) 21.979 15.190 ( -3.823 27.122 -1.140) 27.414 15.550 ( 1.207 25.405 0.758) 25.445 15.571 ( 0.938 26.109 -1.019) 26.146 19.651 ( -0.126 -6.222 0.126) 6.225 19.656 ( 0.320 -5.316 -0.304) 5.335 20.252 ( 0.062 -4.642 0.814) 4.713 20.268 ( -0.492 -4.689 -0.664) 4.762 22.994 ( 7.465 -8.250 4.842) 12.134 23.112 ( 10.102 -11.880 -5.025) 16.384 23.293 ( -1.988 -8.478 5.997) 10.573 23.429 ( -0.897 -9.226 -5.458) 10.757 43.946 ( 14.049 -5.105 6.528) 16.311 44.126 ( 17.105 -9.979 -10.157) 22.256 44.653 ( -6.546 -6.050 7.946) 11.941 44.863 ( -5.667 -8.861 -11.252) 15.403 45.807 ( 2.761 -35.048 12.692) 37.377 45.926 ( -0.960 -23.888 1.892) 23.983 46.420 ( 0.287 -24.093 -1.357) 24.133 46.435 ( -0.034 -18.117 -2.271) 18.259 ======================= Grid point 164 (56/72) ======================= q-point: ( 0.43 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 6.841 3.617 6.302) 9.980 1.198 ( -3.321 3.143 -0.836) 4.648 1.333 ( 7.212 11.057 3.098) 13.560 1.407 ( 1.610 8.673 -6.257) 10.815 1.516 ( 0.108 8.269 2.950) 8.780 1.599 ( -6.088 1.385 -2.762) 6.827 1.649 ( 2.407 1.312 -3.350) 4.328 1.676 ( -1.232 -7.571 -4.335) 8.811 2.075 ( 1.806 10.425 2.048) 10.777 2.112 ( -1.676 9.885 -1.048) 10.080 2.384 ( 7.056 -2.538 5.921) 9.555 2.487 ( 3.909 -0.853 -2.364) 4.647 2.540 ( -5.157 -0.183 2.899) 5.919 2.576 ( -2.855 4.171 -0.516) 5.081 2.790 ( 0.883 3.646 0.064) 3.752 2.864 ( -5.660 -1.222 -5.386) 7.908 3.263 ( 0.660 -2.198 2.266) 3.225 3.270 ( -0.077 -2.025 1.666) 2.623 4.149 ( -0.023 -5.380 -0.289) 5.388 4.150 ( -0.163 -5.451 -0.421) 5.470 5.790 ( 0.163 -9.366 0.220) 9.370 5.791 ( 0.082 -9.300 0.156) 9.302 7.633 ( 0.144 -4.897 0.070) 4.899 7.635 ( -0.011 -4.886 -0.070) 4.886 11.703 ( 1.169 -5.923 1.019) 6.123 11.730 ( -1.547 -7.095 -1.176) 7.356 13.321 ( 0.362 -17.129 0.404) 17.138 13.329 ( -0.501 -17.557 -0.321) 17.567 15.133 ( -1.214 19.915 -0.179) 19.952 15.136 ( -1.576 20.824 -0.464) 20.889 15.573 ( 0.975 25.588 0.425) 25.610 15.582 ( 0.099 26.040 -0.370) 26.043 19.653 ( 0.239 -5.888 0.069) 5.893 19.658 ( -0.164 -5.351 -0.366) 5.366 20.254 ( 0.209 -4.648 0.353) 4.666 20.260 ( -0.371 -4.676 -0.147) 4.693 23.125 ( 5.760 -8.199 7.185) 12.330 23.208 ( -2.166 -7.383 6.692) 10.197 23.308 ( 5.096 -12.854 -6.487) 15.273 23.392 ( -3.078 -10.903 -7.090) 13.365 44.221 ( 13.573 -5.938 7.461) 16.588 44.399 ( 4.056 -7.621 -4.942) 9.948 44.527 ( 0.131 -9.269 1.003) 9.324 44.711 ( -10.077 -10.140 -11.785) 18.527 45.860 ( 2.532 -26.335 8.536) 27.800 45.901 ( -1.694 -22.437 4.847) 23.017 46.426 ( 0.323 -24.414 -1.615) 24.470 46.432 ( -0.233 -22.196 -1.971) 22.285 ======================= Grid point 168 (57/72) ======================= q-point: ( 0.00 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 3.770 12.833) 13.375 1.012 ( 0.000 11.636 7.903) 14.066 1.244 ( 0.000 6.555 -8.295) 10.572 1.255 ( 0.000 0.956 -14.034) 14.067 1.629 ( 0.000 -1.258 -0.597) 1.392 1.660 ( 0.000 -0.851 -2.948) 3.069 1.880 ( 0.000 20.654 7.920) 22.120 1.997 ( 0.000 15.555 -1.807) 15.660 2.128 ( 0.000 0.399 -1.068) 1.140 2.154 ( 0.000 0.454 -3.751) 3.778 2.364 ( 0.000 6.249 3.131) 6.989 2.431 ( 0.000 3.801 -2.683) 4.652 2.810 ( 0.000 5.729 1.700) 5.976 2.812 ( 0.000 1.635 2.068) 2.636 2.927 ( 0.000 4.848 -0.865) 4.925 2.940 ( 0.000 9.825 -2.195) 10.067 3.254 ( 0.000 5.316 2.600) 5.918 3.274 ( 0.000 1.341 0.767) 1.545 4.004 ( 0.000 -9.517 0.270) 9.521 4.007 ( 0.000 -8.679 0.059) 8.679 5.570 ( 0.000 -10.404 0.073) 10.404 5.572 ( 0.000 -10.390 -0.108) 10.390 7.469 ( 0.000 -10.253 0.232) 10.255 7.473 ( 0.000 -10.341 -0.109) 10.342 11.579 ( 0.000 -1.884 1.673) 2.520 11.619 ( 0.000 -2.123 -1.814) 2.792 12.954 ( 0.000 -19.663 0.848) 19.682 12.955 ( 0.000 -17.510 0.793) 17.528 15.903 ( 0.000 36.568 12.255) 38.567 16.029 ( 0.000 35.418 0.488) 35.422 16.172 ( 0.000 34.563 -0.292) 34.565 16.330 ( 0.000 47.522 -13.841) 49.497 19.473 ( 0.000 -9.685 0.580) 9.703 19.486 ( 0.000 -10.836 -0.546) 10.850 20.116 ( 0.000 -8.469 1.514) 8.603 20.145 ( 0.000 -8.730 -1.038) 8.792 22.720 ( 0.000 -1.018 -0.769) 1.276 22.725 ( 0.000 -0.588 -1.053) 1.206 23.196 ( 0.000 -5.796 5.035) 7.678 23.277 ( 0.000 -6.441 -2.438) 6.887 43.605 ( 0.000 1.526 1.867) 2.411 43.631 ( 0.000 3.484 -0.591) 3.534 44.669 ( 0.000 -4.616 5.245) 6.987 44.804 ( 0.000 -6.541 -6.822) 9.452 45.205 ( 0.000 -10.199 12.157) 15.868 45.451 ( 0.000 -14.652 -9.481) 17.452 46.097 ( 0.000 -10.809 4.326) 11.642 46.191 ( 0.000 -10.468 -3.901) 11.171 ======================= Grid point 169 (58/72) ======================= q-point: ( 0.14 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 4.818 3.882 11.942) 13.450 1.066 ( 5.379 9.583 7.345) 13.218 1.269 ( 2.323 1.241 -8.524) 8.921 1.275 ( 2.103 4.836 -12.081) 13.181 1.619 ( -0.905 -1.225 -0.065) 1.524 1.668 ( 0.301 0.455 -4.122) 4.158 1.899 ( 1.401 19.566 6.413) 20.638 1.995 ( -0.293 15.710 -1.825) 15.818 2.118 ( -0.593 0.057 -0.390) 0.712 2.155 ( 0.346 -0.359 -3.048) 3.088 2.357 ( -0.532 6.346 3.402) 7.220 2.431 ( 0.042 4.039 -2.913) 4.980 2.758 ( -3.705 3.304 2.384) 5.507 2.794 ( -2.876 1.799 -0.315) 3.407 2.950 ( 2.298 8.675 0.028) 8.975 2.973 ( 2.505 9.592 -1.609) 10.044 3.243 ( -1.014 4.158 2.630) 5.023 3.264 ( -0.966 1.916 0.738) 2.269 4.003 ( -0.139 -9.412 0.316) 9.418 4.007 ( -0.008 -8.687 -0.030) 8.687 5.570 ( 0.005 -10.415 0.113) 10.415 5.573 ( 0.035 -10.463 -0.092) 10.464 7.471 ( 0.202 -10.210 0.228) 10.214 7.475 ( 0.211 -10.289 -0.128) 10.292 11.583 ( 0.447 -1.560 1.748) 2.384 11.623 ( 0.331 -2.180 -1.676) 2.770 12.949 ( -0.412 -18.625 0.799) 18.647 12.952 ( -0.344 -18.962 0.502) 18.972 15.852 ( -4.911 34.987 10.220) 36.778 15.998 ( -4.029 36.429 -1.418) 36.679 16.178 ( 0.581 34.820 -0.430) 34.828 16.278 ( -3.783 43.946 -9.546) 45.129 19.478 ( -0.684 -11.126 0.287) 11.151 19.485 ( 0.987 -9.553 -0.336) 9.610 20.114 ( -0.177 -8.708 1.172) 8.789 20.137 ( -0.741 -9.083 -0.831) 9.151 22.761 ( 4.096 -1.914 0.305) 4.532 22.788 ( 5.990 -2.004 -1.923) 6.603 23.184 ( -1.199 -5.580 5.291) 7.783 23.275 ( -0.347 -6.512 -2.991) 7.175 43.677 ( 7.391 1.241 2.844) 8.016 43.733 ( 9.795 1.194 -2.195) 10.109 44.635 ( -3.488 -4.575 5.439) 7.917 44.776 ( -2.913 -6.621 -7.177) 10.190 45.242 ( 3.638 -10.436 11.769) 16.145 45.471 ( 1.987 -14.225 -8.303) 16.590 46.080 ( -1.657 -11.238 4.094) 12.074 46.174 ( -1.680 -10.807 -4.064) 11.668 ======================= Grid point 170 (59/72) ======================= q-point: ( 0.29 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 6.753 4.763 9.514) 12.602 1.207 ( 8.727 4.578 5.266) 11.174 1.304 ( 1.001 0.029 -7.332) 7.400 1.346 ( 4.790 4.182 -6.694) 9.233 1.591 ( -2.177 -1.441 -0.796) 2.730 1.649 ( -2.684 2.045 -5.484) 6.439 1.911 ( -0.246 16.728 2.743) 16.953 1.974 ( -2.053 16.102 -2.903) 16.490 2.136 ( 2.679 0.014 1.604) 3.123 2.178 ( 2.142 -1.155 -1.599) 2.912 2.352 ( 0.408 6.168 4.325) 7.544 2.439 ( 0.980 2.802 -3.326) 4.458 2.673 ( -4.991 3.594 2.274) 6.558 2.716 ( -4.897 1.063 -1.386) 5.199 2.997 ( 2.189 12.962 0.405) 13.152 3.018 ( 1.848 12.982 -1.324) 13.179 3.224 ( -0.720 1.134 2.637) 2.959 3.243 ( -0.974 1.599 0.848) 2.056 4.000 ( -0.168 -9.230 0.312) 9.236 4.005 ( -0.166 -8.770 -0.181) 8.773 5.571 ( 0.064 -10.513 0.164) 10.514 5.573 ( 0.025 -10.578 -0.028) 10.578 7.477 ( 0.298 -10.109 0.181) 10.115 7.480 ( 0.236 -10.163 -0.136) 10.167 11.597 ( 0.937 -1.256 1.673) 2.292 11.629 ( 0.237 -2.134 -1.069) 2.399 12.939 ( -0.490 -18.844 0.392) 18.855 12.943 ( -0.551 -19.606 0.119) 19.614 15.737 ( -6.113 31.974 5.753) 33.058 15.855 ( -9.579 35.929 -4.233) 37.424 16.192 ( 0.957 35.400 0.667) 35.419 16.240 ( -0.369 37.952 -3.036) 38.075 19.467 ( -0.200 -11.611 1.351) 11.691 19.500 ( 0.299 -9.786 -1.551) 9.912 20.111 ( -0.190 -9.233 0.563) 9.252 20.122 ( -0.690 -9.704 -0.454) 9.739 22.864 ( 6.122 -3.537 2.477) 7.492 22.932 ( 8.169 -4.716 -3.404) 10.028 23.149 ( -2.448 -5.256 5.527) 8.010 23.256 ( -1.825 -6.680 -4.036) 8.015 43.873 ( 12.117 -0.686 4.297) 12.875 43.977 ( 14.406 -2.392 -5.088) 15.464 44.534 ( -6.876 -4.221 5.867) 9.976 44.687 ( -6.423 -6.543 -7.901) 12.103 45.337 ( 5.899 -11.014 10.655) 16.421 45.516 ( 2.170 -13.136 -4.623) 14.094 46.041 ( -2.078 -12.368 2.733) 12.835 46.127 ( -3.146 -11.745 -4.329) 12.907 ======================= Grid point 171 (60/72) ======================= q-point: ( 0.43 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 6.098 4.611 5.953) 9.689 1.285 ( -2.925 2.905 -0.006) 4.123 1.383 ( 8.541 -0.560 2.875) 9.029 1.448 ( 5.241 2.194 -3.996) 6.946 1.527 ( -4.566 -1.984 -2.685) 5.656 1.566 ( -5.438 3.318 -6.007) 8.756 1.906 ( 0.227 15.715 -0.882) 15.742 1.929 ( -2.085 15.468 -2.943) 15.883 2.193 ( 2.455 0.783 1.463) 2.964 2.214 ( 0.578 0.275 -0.351) 0.729 2.394 ( 4.089 1.833 4.025) 6.023 2.458 ( -0.362 -3.775 -1.412) 4.047 2.584 ( -2.615 8.842 1.037) 9.279 2.619 ( -4.596 3.731 -1.760) 6.176 3.028 ( 1.043 17.027 -0.042) 17.059 3.037 ( 0.142 17.068 -0.823) 17.089 3.220 ( 0.263 -1.667 2.214) 2.784 3.229 ( -0.541 -0.830 1.412) 1.725 3.998 ( 0.030 -9.088 0.099) 9.089 4.001 ( -0.237 -8.934 -0.155) 8.939 5.572 ( 0.074 -10.628 0.147) 10.630 5.573 ( -0.022 -10.653 0.069) 10.653 7.482 ( 0.195 -10.028 0.067) 10.030 7.483 ( 0.050 -10.046 -0.065) 10.047 11.616 ( 0.918 -1.466 1.082) 2.040 11.629 ( -0.324 -1.872 0.011) 1.900 12.932 ( -0.182 -19.435 -0.020) 19.436 12.934 ( -0.323 -19.636 -0.148) 19.640 15.653 ( -1.653 30.286 1.303) 30.359 15.693 ( -5.846 32.005 -2.209) 32.610 16.216 ( 1.307 35.508 0.932) 35.545 16.235 ( -0.542 36.074 -0.621) 36.083 19.474 ( 0.854 -11.539 0.634) 11.588 19.493 ( -0.877 -10.706 -1.087) 10.797 20.109 ( 0.027 -9.760 0.175) 9.761 20.112 ( -0.344 -9.939 -0.137) 9.946 22.982 ( 5.731 -4.630 4.395) 8.579 23.064 ( 0.891 -5.554 1.299) 5.773 23.103 ( 1.887 -5.916 -0.444) 6.225 23.198 ( -4.256 -6.834 -4.709) 9.327 44.116 ( 12.293 -2.925 4.958) 13.574 44.239 ( 8.920 -5.629 -5.514) 11.901 44.387 ( -5.230 -2.922 4.189) 7.311 44.525 ( -10.208 -5.702 -7.669) 13.984 45.454 ( 5.609 -11.495 7.848) 15.006 45.528 ( -1.554 -11.984 1.916) 12.236 46.021 ( 0.493 -13.351 -0.865) 13.388 46.061 ( -3.257 -12.915 -3.814) 13.855 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 9.218 6.076) 11.041 1.254 ( 0.000 8.011 -8.875) 11.956 1.329 ( 0.000 9.497 -0.407) 9.506 1.434 ( 0.000 11.348 -4.960) 12.384 1.647 ( 0.000 3.175 -1.704) 3.604 1.651 ( 0.000 0.451 -2.361) 2.404 2.094 ( 0.000 2.002 2.209) 2.981 2.138 ( 0.000 0.464 -0.999) 1.102 2.254 ( 0.000 9.612 0.517) 9.626 2.258 ( 0.000 7.865 -0.263) 7.869 2.468 ( 0.000 3.946 1.542) 4.236 2.476 ( 0.000 0.687 0.988) 1.203 2.860 ( 0.000 2.018 1.235) 2.366 2.872 ( 0.000 4.499 0.049) 4.499 3.069 ( 0.000 6.843 -0.712) 6.880 3.070 ( 0.000 3.565 -0.927) 3.684 3.428 ( 0.000 9.862 2.823) 10.258 3.471 ( 0.000 11.517 -1.101) 11.569 3.802 ( 0.000 -9.471 1.449) 9.581 3.821 ( 0.000 -8.890 -0.285) 8.894 5.422 ( 0.000 -2.456 0.062) 2.457 5.422 ( 0.000 -2.226 0.071) 2.227 7.209 ( 0.000 -15.233 0.098) 15.234 7.210 ( 0.000 -15.429 0.016) 15.429 11.630 ( 0.000 5.812 0.831) 5.871 11.662 ( 0.000 5.174 -2.033) 5.559 12.591 ( 0.000 -15.437 2.271) 15.603 12.624 ( 0.000 -14.428 -0.699) 14.445 16.651 ( 0.000 35.545 19.176) 40.388 16.762 ( 0.000 36.195 1.924) 36.247 16.904 ( 0.000 36.326 1.678) 36.364 17.286 ( 0.000 43.111 -25.049) 49.859 19.235 ( 0.000 -13.204 1.954) 13.348 19.276 ( 0.000 -9.039 -1.699) 9.197 19.910 ( 0.000 -11.766 2.036) 11.941 19.934 ( 0.000 -11.878 0.050) 11.878 22.740 ( 0.000 2.676 -0.296) 2.692 22.755 ( 0.000 3.109 -1.504) 3.454 23.119 ( 0.000 -1.747 4.057) 4.417 23.187 ( 0.000 -2.432 -2.120) 3.226 43.732 ( 0.000 10.766 2.985) 11.172 43.792 ( 0.000 12.097 -2.323) 12.318 44.614 ( 0.000 -0.727 3.891) 3.958 44.717 ( 0.000 -2.045 -5.344) 5.722 45.173 ( 0.000 4.872 7.301) 8.777 45.331 ( 0.000 0.864 -6.748) 6.804 45.944 ( 0.000 -4.895 3.722) 6.149 46.020 ( 0.000 -6.609 -3.089) 7.295 ======================= Grid point 176 (62/72) ======================= q-point: ( 0.14 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 2.723 7.791 5.713) 10.038 1.277 ( 1.425 4.220 -12.342) 13.121 1.326 ( 0.947 11.337 4.235) 12.139 1.446 ( 1.247 9.153 -6.171) 11.109 1.644 ( 0.912 3.914 1.236) 4.204 1.705 ( 3.182 3.975 -4.467) 6.774 2.091 ( -0.180 1.157 1.610) 1.991 2.125 ( -1.024 0.054 -0.904) 1.367 2.232 ( -1.101 8.397 1.136) 8.544 2.261 ( -0.783 8.755 -1.194) 8.870 2.452 ( -1.457 2.000 2.275) 3.361 2.476 ( -0.323 1.209 0.195) 1.267 2.832 ( -2.338 3.236 1.292) 4.196 2.850 ( -1.881 5.776 -0.363) 6.085 3.095 ( 2.390 5.888 0.081) 6.355 3.102 ( 2.842 2.907 -0.454) 4.090 3.424 ( -0.355 11.013 2.789) 11.367 3.469 ( -0.182 12.318 -1.335) 12.391 3.800 ( -0.173 -9.658 1.345) 9.752 3.818 ( -0.274 -9.186 -0.299) 9.195 5.421 ( -0.031 -2.355 0.110) 2.358 5.422 ( 0.009 -2.340 0.037) 2.340 7.212 ( 0.269 -15.224 0.113) 15.227 7.213 ( 0.307 -15.378 -0.014) 15.381 11.634 ( 0.343 5.613 0.838) 5.686 11.661 ( -0.116 4.890 -1.573) 5.138 12.587 ( -0.396 -15.554 1.752) 15.657 12.612 ( -1.167 -14.759 -0.496) 14.814 16.579 ( -6.774 35.210 16.255) 39.369 16.738 ( -3.262 36.039 0.897) 36.197 16.914 ( 0.980 36.508 1.260) 36.543 17.188 ( -8.493 42.316 -20.179) 47.644 19.218 ( -1.557 -13.918 2.861) 14.294 19.282 ( 0.211 -9.921 -2.788) 10.308 19.897 ( -1.265 -12.760 1.523) 12.913 19.914 ( -1.816 -12.667 0.084) 12.796 22.770 ( 3.012 2.388 0.431) 3.868 22.800 ( 4.274 2.567 -2.044) 5.388 23.113 ( -0.734 -1.486 4.207) 4.522 23.186 ( -0.210 -2.293 -2.477) 3.382 43.791 ( 5.849 9.934 3.382) 12.014 43.863 ( 7.034 10.954 -3.046) 13.370 44.586 ( -2.784 -0.177 4.106) 4.964 44.695 ( -2.306 -1.506 -5.587) 6.229 45.201 ( 2.826 4.420 7.245) 8.945 45.352 ( 2.065 0.739 -5.993) 6.382 45.926 ( -1.730 -4.664 3.591) 6.135 46.005 ( -1.552 -6.184 -3.340) 7.198 ======================= Grid point 177 (63/72) ======================= q-point: ( 0.29 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 4.554 4.291 4.029) 7.442 1.284 ( -0.066 0.797 -7.897) 7.937 1.391 ( 4.764 10.494 2.429) 11.778 1.489 ( 3.162 6.009 -6.801) 9.611 1.655 ( -0.386 8.407 2.903) 8.902 1.739 ( -0.242 7.560 -5.298) 9.235 2.094 ( 0.529 0.936 1.153) 1.577 2.119 ( 1.052 -0.761 -1.005) 1.642 2.220 ( -0.385 6.381 -0.152) 6.394 2.225 ( -2.412 7.635 -0.538) 8.025 2.416 ( -2.115 0.226 2.366) 3.182 2.456 ( -1.898 -0.235 -1.161) 2.237 2.792 ( -1.400 6.489 1.580) 6.824 2.814 ( -1.614 8.064 -0.390) 8.234 3.147 ( 2.659 4.056 1.580) 5.101 3.162 ( 2.970 1.593 0.414) 3.395 3.417 ( -0.257 13.787 2.243) 13.971 3.461 ( -0.719 14.195 -1.621) 14.306 3.796 ( -0.227 -10.057 1.011) 10.111 3.810 ( -0.536 -9.814 -0.288) 9.833 5.421 ( -0.005 -2.382 0.145) 2.386 5.422 ( -0.010 -2.354 0.038) 2.355 7.219 ( 0.382 -15.176 0.108) 15.181 7.220 ( 0.369 -15.288 -0.047) 15.293 11.642 ( 0.474 5.067 0.888) 5.166 11.658 ( -0.125 4.336 -0.529) 4.370 12.577 ( -0.621 -15.821 0.686) 15.848 12.586 ( -1.322 -15.437 -0.198) 15.494 16.426 ( -7.854 34.685 9.955) 36.930 16.599 ( -10.870 36.388 -4.364) 38.227 16.937 ( 1.332 36.899 1.454) 36.952 17.048 ( -4.538 39.589 -7.951) 40.633 19.189 ( -1.070 -15.470 3.545) 15.907 19.270 ( -1.581 -12.522 -3.683) 13.148 19.870 ( -1.310 -14.741 0.572) 14.810 19.877 ( -1.744 -14.109 -0.007) 14.216 22.849 ( 4.823 1.599 1.933) 5.436 22.905 ( 6.125 1.271 -2.928) 6.907 23.088 ( -1.834 -0.827 4.295) 4.743 23.172 ( -1.503 -1.839 -3.163) 3.955 43.943 ( 9.374 7.556 4.071) 12.710 44.040 ( 10.436 7.786 -4.610) 13.813 44.509 ( -5.038 1.653 4.557) 6.991 44.627 ( -4.796 0.227 -6.057) 7.729 45.275 ( 4.570 3.230 7.067) 9.015 45.400 ( 2.399 0.481 -3.478) 4.252 45.885 ( -2.204 -4.038 2.506) 5.239 45.961 ( -2.994 -5.181 -3.774) 7.075 ======================= Grid point 178 (64/72) ======================= q-point: ( 0.43 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.960 0.937 0.754) 4.139 1.274 ( -1.425 -0.346 -3.509) 3.803 1.487 ( 4.799 7.200 1.227) 8.739 1.543 ( 0.638 2.579 -4.168) 4.943 1.639 ( 0.414 13.651 0.823) 13.682 1.696 ( -3.686 10.429 -4.415) 11.910 2.112 ( 1.513 3.601 0.959) 4.022 2.147 ( -0.891 5.073 -2.181) 5.594 2.187 ( 1.223 0.076 1.531) 1.961 2.220 ( -0.596 2.257 -1.437) 2.741 2.382 ( -0.671 -0.733 0.794) 1.272 2.406 ( -2.670 -1.182 -1.383) 3.231 2.782 ( 0.183 9.411 1.251) 9.495 2.791 ( -0.778 9.779 0.329) 9.816 3.191 ( 1.663 1.925 2.581) 3.623 3.201 ( 0.771 0.622 1.858) 2.106 3.420 ( 0.676 16.283 0.482) 16.304 3.441 ( -1.253 16.008 -1.222) 16.103 3.794 ( 0.082 -10.348 0.470) 10.359 3.800 ( -0.499 -10.290 -0.050) 10.303 5.421 ( 0.028 -2.395 0.132) 2.399 5.422 ( -0.031 -2.385 0.079) 2.386 7.225 ( 0.214 -15.154 0.049) 15.156 7.226 ( 0.134 -15.197 -0.024) 15.198 11.650 ( 0.369 4.417 0.865) 4.516 11.656 ( -0.186 4.091 0.426) 4.117 12.566 ( -0.344 -16.012 -0.033) 16.016 12.567 ( -0.524 -15.938 -0.168) 15.947 16.325 ( -1.430 34.807 2.736) 34.944 16.393 ( -8.281 35.799 -3.201) 36.884 16.965 ( 1.571 37.185 1.438) 37.246 16.996 ( -1.697 37.673 -1.084) 37.727 19.188 ( 1.103 -16.412 1.407) 16.510 19.226 ( -2.524 -15.367 -2.032) 15.705 19.851 ( -0.477 -15.720 0.056) 15.727 19.853 ( -0.662 -15.374 -0.121) 15.389 22.945 ( 4.742 0.613 3.240) 5.776 23.006 ( 1.465 -0.380 -0.077) 1.516 23.053 ( 0.644 0.216 0.599) 0.905 23.123 ( -3.559 -1.016 -3.565) 5.139 44.128 ( 8.857 4.084 3.696) 10.430 44.210 ( 3.906 2.539 -3.143) 5.621 44.422 ( -1.312 5.599 2.051) 6.105 44.510 ( -6.953 3.444 -5.400) 9.453 45.366 ( 4.360 1.717 5.707) 7.384 45.421 ( -0.824 0.622 1.427) 1.761 45.861 ( 0.280 -3.611 -0.700) 3.689 45.898 ( -3.087 -4.115 -3.415) 6.175 ======================= Grid point 182 (65/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 10.264 0.137) 10.265 1.367 ( 0.000 4.918 -10.859) 11.920 1.533 ( 0.000 6.701 2.404) 7.119 1.613 ( 0.000 2.840 -4.456) 5.284 1.725 ( 0.000 9.036 1.449) 9.152 1.782 ( 0.000 10.211 -3.816) 10.901 2.138 ( 0.000 2.730 -0.309) 2.747 2.156 ( 0.000 1.549 -1.273) 2.005 2.324 ( 0.000 -1.917 2.816) 3.407 2.363 ( 0.000 0.912 -0.607) 1.096 2.503 ( 0.000 2.978 1.783) 3.471 2.530 ( 0.000 2.567 -0.641) 2.646 2.922 ( 0.000 4.271 3.557) 5.558 2.990 ( 0.000 6.832 -2.642) 7.325 3.137 ( 0.000 3.492 2.628) 4.371 3.197 ( 0.000 5.614 -2.576) 6.177 3.476 ( 0.000 -5.948 4.134) 7.244 3.547 ( 0.000 -4.946 -2.386) 5.491 3.681 ( 0.000 -2.574 1.483) 2.971 3.691 ( 0.000 -3.748 0.619) 3.798 5.534 ( 0.000 13.617 0.441) 13.624 5.541 ( 0.000 14.045 -0.240) 14.047 6.848 ( 0.000 -20.001 0.236) 20.003 6.852 ( 0.000 -19.718 -0.127) 19.719 11.774 ( 0.000 7.385 -0.178) 7.387 11.789 ( 0.000 6.441 -1.494) 6.612 12.335 ( 0.000 -9.649 2.661) 10.009 12.376 ( 0.000 -9.877 -1.068) 9.935 17.315 ( 0.000 29.112 20.677) 35.708 17.473 ( 0.000 32.502 0.499) 32.506 17.611 ( 0.000 31.880 1.124) 31.900 17.989 ( 0.000 23.896 -26.759) 35.876 18.983 ( 0.000 -9.998 6.682) 12.025 19.120 ( 0.000 -6.180 -5.274) 8.124 19.637 ( 0.000 -14.795 2.668) 15.034 19.665 ( 0.000 -14.415 0.826) 14.438 22.814 ( 0.000 4.079 -0.128) 4.081 22.832 ( 0.000 3.915 -1.682) 4.261 23.113 ( 0.000 0.746 3.169) 3.256 23.163 ( 0.000 -0.438 -1.352) 1.422 44.020 ( 0.000 16.500 3.388) 16.845 44.094 ( 0.000 16.407 -3.204) 16.717 44.620 ( 0.000 0.513 2.784) 2.831 44.692 ( 0.000 -1.463 -3.677) 3.958 45.342 ( 0.000 10.529 3.674) 11.152 45.412 ( 0.000 5.913 -2.479) 6.412 45.863 ( 0.000 -3.995 1.069) 4.135 45.893 ( 0.000 -6.652 -1.505) 6.820 ======================= Grid point 183 (66/72) ======================= q-point: ( 0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.694 9.865 0.030) 9.889 1.369 ( -0.073 5.224 -10.681) 11.890 1.521 ( -0.204 6.173 1.576) 6.374 1.588 ( -1.318 4.214 -4.406) 6.237 1.777 ( 4.448 8.600 2.579) 10.020 1.846 ( 5.266 8.440 -3.618) 10.586 2.124 ( -1.350 2.764 -0.473) 3.112 2.137 ( -1.699 1.643 -1.124) 2.617 2.321 ( -0.295 -0.440 2.412) 2.470 2.360 ( -0.744 0.877 -0.842) 1.426 2.473 ( -2.592 2.339 1.886) 3.968 2.504 ( -2.463 1.473 -0.859) 2.995 2.916 ( -0.406 4.667 3.280) 5.718 2.977 ( -1.126 6.539 -2.344) 7.038 3.166 ( 2.649 3.884 2.654) 5.399 3.218 ( 1.863 6.033 -1.889) 6.591 3.481 ( 0.385 -6.482 3.931) 7.590 3.551 ( 0.200 -5.680 -2.443) 6.187 3.680 ( -0.040 -2.161 1.410) 2.581 3.690 ( 0.004 -2.772 0.506) 2.818 5.534 ( 0.028 13.675 0.415) 13.681 5.541 ( -0.036 14.052 -0.213) 14.054 6.851 ( 0.340 -19.998 0.203) 20.002 6.855 ( 0.280 -19.743 -0.102) 19.745 11.774 ( -0.004 7.296 -0.140) 7.298 11.784 ( -0.395 6.477 -1.053) 6.574 12.326 ( -0.863 -10.030 2.108) 10.285 12.358 ( -1.738 -10.147 -0.792) 10.326 17.251 ( -5.992 30.217 17.987) 35.672 17.445 ( -3.344 32.534 -0.581) 32.710 17.628 ( 1.529 32.364 1.110) 32.419 17.911 ( -6.924 26.658 -22.345) 35.466 18.940 ( -4.067 -11.959 7.251) 14.564 19.092 ( -3.101 -8.565 -6.196) 11.017 19.598 ( -3.800 -16.217 2.414) 16.830 19.621 ( -3.883 -16.151 0.674) 16.625 22.840 ( 2.655 4.017 0.363) 4.829 22.868 ( 3.494 3.606 -2.032) 5.417 23.111 ( -0.251 0.949 3.233) 3.379 23.165 ( 0.086 -0.336 -1.619) 1.655 44.060 ( 3.921 15.508 3.590) 16.394 44.141 ( 4.562 15.118 -3.661) 16.210 44.606 ( -1.401 1.193 2.968) 3.492 44.682 ( -1.046 -0.882 -3.840) 4.077 45.361 ( 1.944 10.058 3.899) 10.961 45.434 ( 2.061 6.106 -2.172) 6.800 45.852 ( -0.974 -3.665 1.293) 4.007 45.893 ( -0.201 -5.632 -2.034) 5.992 ======================= Grid point 184 (67/72) ======================= q-point: ( 0.29 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.331 8.493 -0.870) 8.641 1.356 ( -1.153 5.766 -8.234) 10.118 1.545 ( 2.332 4.312 -0.938) 4.991 1.582 ( 0.595 3.727 -4.000) 5.500 1.865 ( 3.941 9.414 3.751) 10.874 1.941 ( 3.402 8.914 -2.965) 9.991 2.101 ( 0.002 1.022 -0.404) 1.099 2.107 ( -0.836 1.316 -0.637) 1.684 2.297 ( -3.318 1.144 0.934) 3.632 2.324 ( -2.308 1.861 -1.195) 3.197 2.428 ( -1.887 1.905 1.644) 3.146 2.453 ( -2.234 0.482 -0.682) 2.385 2.915 ( 0.410 4.921 2.496) 5.533 2.957 ( -0.705 6.023 -1.478) 6.241 3.225 ( 3.031 4.928 2.587) 6.338 3.256 ( 1.815 6.801 -0.212) 7.043 3.487 ( 0.187 -8.249 2.869) 8.736 3.545 ( -0.927 -7.817 -2.270) 8.193 3.682 ( 0.311 -0.864 1.261) 1.560 3.693 ( 0.285 -0.509 0.256) 0.637 5.535 ( 0.063 13.811 0.329) 13.815 5.540 ( -0.073 14.059 -0.127) 14.060 6.860 ( 0.437 -19.985 0.129) 19.990 6.862 ( 0.361 -19.813 -0.050) 19.816 11.773 ( -0.043 7.101 0.098) 7.101 11.777 ( -0.338 6.653 -0.136) 6.663 12.305 ( -1.172 -10.868 0.955) 10.973 12.319 ( -2.022 -10.807 -0.339) 11.000 17.118 ( -6.661 32.605 11.673) 35.266 17.318 ( -9.767 33.691 -5.106) 35.447 17.663 ( 2.063 33.480 1.425) 33.574 17.789 ( -4.404 31.566 -10.073) 33.426 18.852 ( -4.205 -16.765 6.696) 18.536 18.996 ( -6.499 -14.167 -6.184) 16.769 19.518 ( -3.673 -19.568 1.772) 19.989 19.541 ( -3.936 -18.936 -0.245) 19.342 22.909 ( 4.111 3.726 1.381) 5.717 22.953 ( 4.853 2.824 -2.510) 6.150 23.100 ( -1.004 1.487 3.164) 3.637 23.159 ( -0.834 0.038 -2.156) 2.312 44.159 ( 5.930 12.777 3.756) 14.579 44.249 ( 5.781 11.571 -4.267) 13.621 44.571 ( -1.995 3.187 3.078) 4.859 44.651 ( -2.173 0.813 -4.131) 4.738 45.413 ( 3.253 9.103 4.455) 10.644 45.482 ( 2.510 6.466 -0.907) 6.995 45.831 ( -1.025 -2.320 0.862) 2.679 45.879 ( -1.226 -3.711 -2.818) 4.818 ======================= Grid point 185 (68/72) ======================= q-point: ( 0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.724 6.705 -2.788) 7.463 1.331 ( -1.417 5.799 -5.368) 8.028 1.588 ( 1.552 2.626 -2.624) 4.024 1.597 ( 0.490 2.194 -3.460) 4.127 1.919 ( 1.906 11.431 2.637) 11.885 1.952 ( -1.416 11.413 -0.311) 11.505 2.123 ( 2.600 -0.784 0.484) 2.758 2.150 ( 3.469 -1.320 -1.937) 4.187 2.214 ( -3.428 2.012 1.996) 4.448 2.262 ( -4.404 1.690 -2.092) 5.161 2.407 ( 0.035 2.689 0.483) 2.732 2.422 ( -1.222 1.972 -0.663) 2.413 2.931 ( 1.040 5.109 1.420) 5.404 2.947 ( -0.542 5.595 -0.111) 5.623 3.271 ( 1.516 6.304 2.436) 6.926 3.280 ( 0.521 7.105 1.590) 7.299 3.494 ( 0.761 -10.048 0.621) 10.096 3.518 ( -1.595 -9.770 -1.415) 10.000 3.691 ( 0.477 0.510 0.907) 1.144 3.697 ( -0.055 0.767 0.384) 0.860 5.536 ( 0.093 13.946 0.186) 13.948 5.538 ( -0.098 14.031 0.017) 14.032 6.866 ( 0.217 -19.956 0.057) 19.957 6.867 ( 0.149 -19.899 0.001) 19.899 11.772 ( -0.032 6.864 0.528) 6.885 11.773 ( -0.088 6.986 0.454) 7.001 12.287 ( -0.536 -11.490 0.112) 11.503 12.289 ( -0.874 -11.430 -0.148) 11.465 17.041 ( -0.297 34.781 3.651) 34.973 17.123 ( -8.431 35.238 -3.571) 36.408 17.703 ( 1.958 34.743 1.422) 34.827 17.737 ( -1.687 34.470 -1.455) 34.542 18.808 ( 0.311 -20.776 2.524) 20.931 18.870 ( -5.629 -19.666 -2.932) 20.664 19.472 ( -0.929 -21.415 0.428) 21.439 19.482 ( -1.894 -21.031 -0.432) 21.120 22.988 ( 3.776 3.130 2.197) 5.374 23.030 ( 1.305 2.251 -0.405) 2.634 23.081 ( 0.468 1.805 0.563) 1.947 23.128 ( -2.481 0.747 -2.486) 3.590 44.270 ( 4.994 9.262 2.688) 10.861 44.322 ( 0.593 7.827 -1.592) 8.009 44.552 ( 0.847 5.377 0.302) 5.452 44.599 ( -3.096 3.525 -3.538) 5.876 45.477 ( 2.998 8.046 4.309) 9.607 45.510 ( -0.052 7.039 1.998) 7.317 45.822 ( 0.449 -1.271 -1.244) 1.834 45.848 ( -1.820 -1.875 -2.910) 3.911 ======================= Grid point 189 (69/72) ======================= q-point: ( 0.00 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 5.121 -4.153) 6.593 1.441 ( 0.000 1.627 -7.007) 7.193 1.609 ( 0.000 1.756 -0.830) 1.942 1.627 ( 0.000 -0.224 -2.206) 2.218 1.918 ( 0.000 8.241 1.926) 8.463 1.975 ( 0.000 5.379 -3.371) 6.348 2.190 ( 0.000 1.794 -0.875) 1.996 2.193 ( 0.000 1.626 -0.692) 1.767 2.245 ( 0.000 -2.805 2.776) 3.946 2.305 ( 0.000 -5.476 -2.416) 5.985 2.566 ( 0.000 2.200 0.539) 2.265 2.575 ( 0.000 1.264 -0.350) 1.312 3.042 ( 0.000 7.468 5.439) 9.239 3.145 ( 0.000 7.014 -3.325) 7.762 3.184 ( 0.000 -0.585 3.934) 3.977 3.273 ( 0.000 0.193 -3.245) 3.251 3.343 ( 0.000 -2.983 3.274) 4.429 3.399 ( 0.000 -7.305 -2.138) 7.612 3.606 ( 0.000 -3.269 2.202) 3.941 3.615 ( 0.000 -3.368 1.299) 3.609 5.923 ( 0.000 22.694 0.628) 22.703 5.936 ( 0.000 22.707 -0.492) 22.713 6.404 ( 0.000 -23.133 0.519) 23.139 6.414 ( 0.000 -22.893 -0.352) 22.895 11.897 ( 0.000 3.535 -1.137) 3.714 11.897 ( 0.000 3.817 -1.203) 4.002 12.200 ( 0.000 -3.188 2.015) 3.771 12.223 ( 0.000 -4.990 -0.024) 4.990 17.823 ( 0.000 20.319 14.705) 25.082 17.995 ( 0.000 13.211 -0.147) 13.212 18.119 ( 0.000 14.716 -4.885) 15.505 18.194 ( 0.000 -1.004 -10.818) 10.865 18.920 ( 0.000 4.202 5.717) 7.095 19.021 ( 0.000 -3.930 -0.335) 3.944 19.352 ( 0.000 -10.333 -1.626) 10.461 19.377 ( 0.000 -11.662 -2.085) 11.847 22.885 ( 0.000 2.323 -0.689) 2.423 22.893 ( 0.000 1.555 -1.389) 2.085 23.135 ( 0.000 1.123 1.877) 2.187 23.154 ( 0.000 -0.665 0.149) 0.681 44.350 ( 0.000 14.148 1.879) 14.273 44.396 ( 0.000 11.249 -2.243) 11.470 44.598 ( 0.000 -3.256 0.993) 3.404 44.617 ( 0.000 -6.225 -0.701) 6.264 45.551 ( 0.000 7.612 0.695) 7.644 45.561 ( 0.000 9.972 -0.117) 9.973 45.737 ( 0.000 -8.237 0.510) 8.253 45.754 ( 0.000 -6.906 -1.013) 6.980 ======================= Grid point 190 (70/72) ======================= q-point: ( 0.14 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.849 5.507 -3.984) 6.850 1.452 ( 1.071 1.877 -7.184) 7.502 1.605 ( -0.402 2.595 -0.832) 2.755 1.630 ( 0.056 0.275 -2.870) 2.884 1.926 ( 0.897 4.955 1.480) 5.248 1.964 ( -0.289 1.962 -2.247) 2.997 2.193 ( -0.242 3.215 0.138) 3.227 2.203 ( -0.945 4.053 -0.283) 4.171 2.268 ( 3.623 -2.633 1.622) 4.764 2.313 ( 0.841 -4.371 -1.739) 4.779 2.528 ( -3.264 2.006 0.390) 3.851 2.538 ( -3.389 1.111 -0.476) 3.598 3.033 ( -0.852 7.201 4.461) 8.514 3.118 ( -2.221 6.021 -3.101) 7.128 3.210 ( 2.171 -2.087 3.833) 4.875 3.287 ( 1.066 -2.903 -2.365) 3.894 3.365 ( 1.989 0.700 2.557) 3.315 3.412 ( 1.076 -4.412 -1.764) 4.872 3.607 ( 0.195 -3.634 2.169) 4.237 3.618 ( 0.360 -3.853 1.139) 4.034 5.925 ( 0.195 22.800 0.575) 22.808 5.937 ( 0.072 22.808 -0.437) 22.812 6.407 ( 0.284 -23.205 0.465) 23.211 6.416 ( 0.177 -22.979 -0.310) 22.982 11.897 ( 0.074 3.952 -0.838) 4.041 11.900 ( 0.231 3.981 -1.120) 4.142 12.181 ( -1.932 -3.798 1.754) 4.608 12.199 ( -2.299 -5.204 0.059) 5.690 17.792 ( -2.908 22.342 13.713) 26.376 17.993 ( -0.469 16.086 -1.405) 16.154 18.139 ( 1.892 12.817 -5.189) 13.956 18.164 ( -2.563 -0.461 -8.178) 8.583 18.853 ( -6.588 5.280 4.778) 9.702 18.952 ( -7.028 -3.949 -1.548) 8.209 19.273 ( -7.770 -13.316 -0.883) 15.442 19.284 ( -8.348 -14.382 -0.831) 16.650 22.912 ( 2.652 2.417 -0.455) 3.617 22.924 ( 2.961 1.319 -1.469) 3.559 23.136 ( 0.067 1.241 1.822) 2.205 23.156 ( 0.195 -0.685 -0.032) 0.713 44.371 ( 2.017 13.416 1.921) 13.702 44.418 ( 2.108 10.323 -2.321) 10.789 44.596 ( -0.172 -2.761 1.030) 2.952 44.617 ( -0.004 -5.822 -0.830) 5.881 45.564 ( 1.399 8.629 1.185) 8.822 45.584 ( 2.092 8.543 -0.441) 8.807 45.743 ( 0.634 -7.033 0.632) 7.089 45.765 ( 0.985 -6.856 -1.179) 7.026 ======================= Grid point 191 (71/72) ======================= q-point: ( 0.29 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 1.156 6.597 -3.780) 7.690 1.472 ( 0.733 3.776 -6.962) 7.954 1.596 ( -0.510 1.309 -1.693) 2.200 1.621 ( -0.976 -0.266 -3.902) 4.031 1.958 ( 2.589 1.156 1.451) 3.185 1.986 ( 2.452 -1.661 -1.243) 3.212 2.161 ( -2.843 2.550 1.147) 3.988 2.177 ( -1.481 1.944 -0.520) 2.498 2.320 ( 0.381 2.508 1.862) 3.147 2.353 ( 3.322 1.187 -0.435) 3.554 2.467 ( -3.134 0.749 -0.077) 3.223 2.471 ( -2.308 1.187 0.004) 2.595 3.021 ( -0.019 6.509 2.626) 7.019 3.081 ( -1.301 5.682 -2.881) 6.503 3.242 ( 0.767 -7.089 2.956) 7.719 3.296 ( -0.434 -7.483 -1.361) 7.618 3.410 ( 2.394 5.736 1.675) 6.437 3.435 ( 1.321 2.860 -0.439) 3.181 3.615 ( 0.501 -4.875 2.016) 5.299 3.627 ( 0.499 -5.135 0.833) 5.226 5.930 ( 0.277 23.036 0.424) 23.041 5.938 ( 0.050 23.035 -0.282) 23.037 6.414 ( 0.382 -23.357 0.323) 23.363 6.420 ( 0.204 -23.186 -0.198) 23.188 11.903 ( 0.566 5.093 -0.190) 5.128 11.908 ( 0.620 5.022 -0.708) 5.110 12.133 ( -2.721 -5.555 1.118) 6.286 12.143 ( -3.116 -6.144 0.124) 6.891 17.731 ( -2.675 27.028 10.357) 29.068 17.941 ( -5.756 25.851 -7.201) 27.446 18.144 ( 2.291 -5.709 0.236) 6.156 18.197 ( 3.976 10.938 -4.239) 12.386 18.681 ( -10.650 8.994 2.855) 14.229 18.756 ( -12.887 -3.148 -2.702) 13.538 19.092 ( -8.559 -20.748 1.864) 22.522 19.119 ( -8.034 -21.266 -0.934) 22.752 22.978 ( 3.899 2.534 0.072) 4.651 22.996 ( 4.176 0.859 -1.496) 4.518 23.133 ( -0.578 1.478 1.592) 2.248 23.155 ( -0.493 -0.655 -0.453) 0.937 44.420 ( 2.768 11.470 1.835) 11.941 44.465 ( 2.287 8.363 -2.163) 8.936 44.592 ( -0.216 -1.785 0.950) 2.033 44.616 ( -0.246 -4.719 -1.103) 4.853 45.603 ( 2.516 8.688 1.767) 9.216 45.632 ( 2.502 7.470 -0.375) 7.887 45.759 ( 0.892 -5.037 0.480) 5.137 45.784 ( 0.761 -5.836 -1.407) 6.052 ======================= Grid point 192 (72/72) ======================= q-point: ( 0.43 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 1.110 7.768 -4.083) 8.845 1.476 ( -0.389 7.122 -5.423) 8.960 1.589 ( -0.019 -2.645 -3.510) 4.395 1.599 ( -0.994 -2.639 -4.274) 5.120 2.022 ( 3.717 1.001 1.562) 4.154 2.048 ( 3.449 -1.216 -0.809) 3.745 2.101 ( -3.077 0.701 1.549) 3.516 2.130 ( -3.431 -1.666 -1.130) 3.978 2.333 ( 1.465 7.761 2.682) 8.341 2.371 ( -1.688 6.682 -0.409) 6.904 2.436 ( 0.161 -1.355 1.202) 1.818 2.446 ( -0.700 -0.062 0.095) 0.709 3.038 ( 1.589 6.848 0.838) 7.080 3.065 ( -0.869 7.063 -1.518) 7.277 3.247 ( 0.417 -11.523 0.874) 11.563 3.271 ( -1.775 -11.031 -1.071) 11.224 3.449 ( 1.435 8.639 1.638) 8.909 3.457 ( 0.612 8.379 0.919) 8.451 3.624 ( 0.476 -6.526 1.499) 6.712 3.631 ( -0.143 -6.513 0.887) 6.575 5.935 ( 0.217 23.221 0.199) 23.222 5.938 ( -0.073 23.219 -0.055) 23.219 6.421 ( 0.237 -23.451 0.141) 23.453 6.423 ( 0.028 -23.386 -0.041) 23.386 11.917 ( 0.688 7.041 0.347) 7.083 11.920 ( 0.421 7.067 0.039) 7.080 12.089 ( -1.370 -8.028 0.361) 8.152 12.093 ( -1.716 -8.043 0.024) 8.224 17.718 ( 1.809 31.159 3.910) 31.456 17.805 ( -6.788 31.181 -3.860) 32.144 18.255 ( 8.743 -9.793 1.839) 13.256 18.300 ( 6.716 2.969 -2.320) 7.700 18.469 ( -10.667 13.986 1.051) 17.621 18.491 ( -12.801 2.352 -0.801) 13.040 18.986 ( -2.247 -26.028 0.784) 26.136 19.002 ( -3.671 -25.867 -0.609) 26.133 23.051 ( 3.361 2.541 0.631) 4.260 23.071 ( 3.074 0.928 -1.083) 3.389 23.111 ( -1.492 1.225 0.967) 2.159 23.132 ( -1.928 -0.526 -0.895) 2.190 44.469 ( 2.061 9.093 1.148) 9.394 44.490 ( 0.052 7.604 -0.637) 7.630 44.593 ( 0.477 -1.772 -0.102) 1.838 44.607 ( -0.674 -3.156 -1.109) 3.413 45.650 ( 1.951 7.963 1.819) 8.398 45.665 ( 0.592 7.278 0.807) 7.346 45.775 ( 0.861 -3.893 -0.565) 4.027 45.789 ( -0.327 -4.379 -1.389) 4.606 =================== 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 3/18480 10.0 157.575 136.590 138.473 0.000 0.000 -0.000 3/18480 20.0 23.224 40.799 25.177 0.000 0.000 -0.000 3/18480 30.0 9.955 21.937 11.859 0.000 0.000 -0.000 3/18480 40.0 6.201 15.157 7.608 0.000 0.000 -0.000 3/18480 50.0 4.526 11.836 5.609 0.000 0.000 -0.000 3/18480 60.0 3.582 9.891 4.457 0.000 0.000 -0.000 3/18480 70.0 2.973 8.607 3.706 0.000 0.000 -0.000 3/18480 80.0 2.546 7.684 3.175 0.000 0.000 -0.000 3/18480 90.0 2.228 6.977 2.779 0.000 0.000 -0.000 3/18480 100.0 1.981 6.411 2.471 0.000 0.000 -0.000 3/18480 110.0 1.784 5.943 2.224 0.000 0.000 -0.000 3/18480 120.0 1.623 5.547 2.022 0.000 0.000 -0.000 3/18480 130.0 1.488 5.206 1.853 0.000 0.000 -0.000 3/18480 140.0 1.374 4.908 1.710 0.000 0.000 -0.000 3/18480 150.0 1.277 4.645 1.588 0.000 0.000 -0.000 3/18480 160.0 1.192 4.411 1.481 0.000 0.000 -0.000 3/18480 170.0 1.118 4.201 1.388 0.000 0.000 -0.000 3/18480 180.0 1.053 4.012 1.306 0.000 0.000 -0.000 3/18480 190.0 0.995 3.839 1.234 0.000 0.000 -0.000 3/18480 200.0 0.943 3.682 1.169 0.000 0.000 -0.000 3/18480 210.0 0.897 3.538 1.110 0.000 0.000 -0.000 3/18480 220.0 0.855 3.405 1.057 0.000 0.000 -0.000 3/18480 230.0 0.816 3.282 1.009 0.000 0.000 -0.000 3/18480 240.0 0.782 3.167 0.966 0.000 0.000 -0.000 3/18480 250.0 0.750 3.061 0.926 0.000 0.000 -0.000 3/18480 260.0 0.720 2.961 0.889 0.000 0.000 -0.000 3/18480 270.0 0.693 2.868 0.855 0.000 0.000 -0.000 3/18480 280.0 0.668 2.781 0.823 0.000 0.000 -0.000 3/18480 290.0 0.645 2.698 0.794 0.000 0.000 -0.000 3/18480 300.0 0.623 2.621 0.767 0.000 0.000 -0.000 3/18480 310.0 0.603 2.548 0.742 0.000 0.000 -0.000 3/18480 320.0 0.584 2.478 0.718 0.000 0.000 -0.000 3/18480 330.0 0.566 2.413 0.696 0.000 0.000 -0.000 3/18480 340.0 0.550 2.350 0.675 0.000 0.000 -0.000 3/18480 350.0 0.534 2.291 0.656 0.000 0.000 -0.000 3/18480 360.0 0.519 2.235 0.637 0.000 0.000 -0.000 3/18480 370.0 0.505 2.181 0.620 0.000 0.000 -0.000 3/18480 380.0 0.492 2.130 0.603 0.000 0.000 -0.000 3/18480 390.0 0.479 2.081 0.587 0.000 0.000 -0.000 3/18480 400.0 0.467 2.035 0.573 0.000 0.000 -0.000 3/18480 410.0 0.456 1.990 0.559 0.000 0.000 -0.000 3/18480 420.0 0.445 1.947 0.545 0.000 0.000 -0.000 3/18480 430.0 0.435 1.906 0.532 0.000 0.000 -0.000 3/18480 440.0 0.425 1.867 0.520 0.000 0.000 -0.000 3/18480 450.0 0.416 1.829 0.509 0.000 0.000 -0.000 3/18480 460.0 0.407 1.793 0.497 0.000 0.000 -0.000 3/18480 470.0 0.398 1.758 0.487 0.000 0.000 -0.000 3/18480 480.0 0.390 1.725 0.477 0.000 0.000 -0.000 3/18480 490.0 0.382 1.692 0.467 0.000 0.000 -0.000 3/18480 500.0 0.374 1.661 0.457 0.000 0.000 -0.000 3/18480 510.0 0.367 1.631 0.448 0.000 0.000 -0.000 3/18480 520.0 0.360 1.602 0.440 0.000 0.000 -0.000 3/18480 530.0 0.353 1.574 0.432 0.000 0.000 -0.000 3/18480 540.0 0.347 1.547 0.424 0.000 0.000 -0.000 3/18480 550.0 0.341 1.521 0.416 0.000 0.000 -0.000 3/18480 560.0 0.335 1.496 0.408 0.000 0.000 -0.000 3/18480 570.0 0.329 1.472 0.401 0.000 0.000 -0.000 3/18480 580.0 0.323 1.448 0.394 0.000 0.000 -0.000 3/18480 590.0 0.318 1.425 0.388 0.000 0.000 -0.000 3/18480 600.0 0.313 1.403 0.381 0.000 0.000 -0.000 3/18480 610.0 0.307 1.382 0.375 0.000 0.000 -0.000 3/18480 620.0 0.303 1.361 0.369 0.000 0.000 -0.000 3/18480 630.0 0.298 1.340 0.363 0.000 0.000 -0.000 3/18480 640.0 0.293 1.321 0.357 0.000 0.000 -0.000 3/18480 650.0 0.289 1.302 0.352 0.000 0.000 -0.000 3/18480 660.0 0.284 1.283 0.347 0.000 0.000 -0.000 3/18480 670.0 0.280 1.265 0.342 0.000 0.000 -0.000 3/18480 680.0 0.276 1.248 0.337 0.000 0.000 -0.000 3/18480 690.0 0.272 1.230 0.332 0.000 0.000 -0.000 3/18480 700.0 0.268 1.214 0.327 0.000 0.000 -0.000 3/18480 710.0 0.265 1.198 0.322 0.000 0.000 -0.000 3/18480 720.0 0.261 1.182 0.318 0.000 0.000 -0.000 3/18480 730.0 0.258 1.167 0.314 0.000 0.000 -0.000 3/18480 740.0 0.254 1.152 0.309 0.000 0.000 -0.000 3/18480 750.0 0.251 1.137 0.305 0.000 0.000 -0.000 3/18480 760.0 0.247 1.123 0.301 0.000 0.000 -0.000 3/18480 770.0 0.244 1.109 0.297 0.000 0.000 -0.000 3/18480 780.0 0.241 1.096 0.294 0.000 0.000 -0.000 3/18480 790.0 0.238 1.082 0.290 0.000 0.000 -0.000 3/18480 800.0 0.235 1.069 0.286 0.000 0.000 -0.000 3/18480 810.0 0.232 1.057 0.283 0.000 0.000 -0.000 3/18480 820.0 0.230 1.045 0.279 0.000 0.000 -0.000 3/18480 830.0 0.227 1.033 0.276 0.000 0.000 -0.000 3/18480 840.0 0.224 1.021 0.273 0.000 0.000 -0.000 3/18480 850.0 0.222 1.009 0.270 0.000 0.000 -0.000 3/18480 860.0 0.219 0.998 0.266 0.000 0.000 -0.000 3/18480 870.0 0.217 0.987 0.263 0.000 0.000 -0.000 3/18480 880.0 0.214 0.976 0.260 0.000 0.000 -0.000 3/18480 890.0 0.212 0.966 0.258 0.000 0.000 -0.000 3/18480 900.0 0.209 0.956 0.255 0.000 0.000 -0.000 3/18480 910.0 0.207 0.946 0.252 0.000 0.000 -0.000 3/18480 920.0 0.205 0.936 0.249 0.000 0.000 -0.000 3/18480 930.0 0.203 0.926 0.247 0.000 0.000 -0.000 3/18480 940.0 0.201 0.917 0.244 0.000 0.000 -0.000 3/18480 950.0 0.199 0.907 0.241 0.000 0.000 -0.000 3/18480 960.0 0.196 0.898 0.239 0.000 0.000 -0.000 3/18480 970.0 0.194 0.889 0.236 0.000 0.000 -0.000 3/18480 980.0 0.193 0.881 0.234 0.000 0.000 -0.000 3/18480 990.0 0.191 0.872 0.232 0.000 0.000 -0.000 3/18480 1000.0 0.189 0.864 0.229 0.000 0.000 -0.000 3/18480 Thermal conductivity related properties were written into "kappa-m7115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:37:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|