----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:26:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.906291650210109 0.000000000000000 0.000000000000000 b 0.000000000000000 4.601565070000000 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): *1 Ba 0.94993217960659 0.75000000000000 0.15646025263305 137.327 2 Ba 0.05006782039341 0.25000000000000 0.84353974736695 137.327 *3 La 0.57049312397365 0.25000000000000 0.35046435635752 138.905 4 La 0.42950687602635 0.75000000000000 0.64953564364248 138.905 *5 Br 0.93939930248248 0.25000000000000 0.33764185325909 79.904 *6 Br 0.82807027155889 0.75000000000000 0.93181833679657 79.904 *7 Br 0.68503470573958 0.75000000000000 0.48208419597370 79.904 *8 Br 0.63854117260063 0.25000000000000 0.14425905761455 79.904 *9 Br 0.64718281275119 0.25000000000000 0.70844665370367 79.904 10 Br 0.35281718724882 0.75000000000000 0.29155334629633 79.904 11 Br 0.36145882739937 0.75000000000000 0.85574094238545 79.904 12 Br 0.31496529426042 0.25000000000000 0.51791580402630 79.904 13 Br 0.17192972844111 0.25000000000000 0.06818166320343 79.904 14 Br 0.06060069751752 0.75000000000000 0.66235814674091 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.906291650210109 0.000000000000000 0.000000000000000 b 0.000000000000000 4.601565070000000 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): *1 Ba 0.94993217960659 0.75000000000000 0.15646025263305 137.327 > 1 2 Ba 0.05006782039341 0.25000000000000 0.84353974736695 137.327 > 2 *3 La 0.57049312397365 0.25000000000000 0.35046435635752 138.905 > 3 4 La 0.42950687602635 0.75000000000000 0.64953564364248 138.905 > 4 *5 Br 0.93939930248248 0.25000000000000 0.33764185325909 79.904 > 5 *6 Br 0.82807027155889 0.75000000000000 0.93181833679657 79.904 > 6 *7 Br 0.68503470573958 0.75000000000000 0.48208419597370 79.904 > 7 *8 Br 0.63854117260063 0.25000000000000 0.14425905761455 79.904 > 8 *9 Br 0.64718281275119 0.25000000000000 0.70844665370367 79.904 > 9 10 Br 0.35281718724882 0.75000000000000 0.29155334629633 79.904 > 10 11 Br 0.36145882739937 0.75000000000000 0.85574094238545 79.904 > 11 12 Br 0.31496529426042 0.25000000000000 0.51791580402630 79.904 > 12 13 Br 0.17192972844111 0.25000000000000 0.06818166320343 79.904 > 13 14 Br 0.06060069751752 0.75000000000000 0.66235814674091 79.904 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.812583300420219 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804695210000002 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): *1 Ba 0.47496608980330 0.25000000000000 0.15646025263305 137.327 > 1 2 Ba 0.97496608980330 0.25000000000000 0.15646025263305 137.327 > 1 3 Ba 0.47496608980330 0.58333333333333 0.15646025263305 137.327 > 1 4 Ba 0.97496608980330 0.58333333333333 0.15646025263305 137.327 > 1 5 Ba 0.47496608980330 0.91666666666667 0.15646025263305 137.327 > 1 6 Ba 0.97496608980330 0.91666666666667 0.15646025263305 137.327 > 1 7 Ba 0.02503391019670 0.08333333333333 0.84353974736695 137.327 > 2 8 Ba 0.52503391019670 0.08333333333333 0.84353974736695 137.327 > 2 9 Ba 0.02503391019670 0.41666666666667 0.84353974736695 137.327 > 2 10 Ba 0.52503391019670 0.41666666666667 0.84353974736695 137.327 > 2 11 Ba 0.02503391019670 0.75000000000000 0.84353974736695 137.327 > 2 12 Ba 0.52503391019670 0.75000000000000 0.84353974736695 137.327 > 2 *13 La 0.28524656198682 0.08333333333333 0.35046435635752 138.905 > 3 14 La 0.78524656198682 0.08333333333333 0.35046435635752 138.905 > 3 15 La 0.28524656198682 0.41666666666667 0.35046435635752 138.905 > 3 16 La 0.78524656198682 0.41666666666667 0.35046435635752 138.905 > 3 17 La 0.28524656198682 0.75000000000000 0.35046435635752 138.905 > 3 18 La 0.78524656198682 0.75000000000000 0.35046435635752 138.905 > 3 19 La 0.21475343801318 0.25000000000000 0.64953564364248 138.905 > 4 20 La 0.71475343801318 0.25000000000000 0.64953564364248 138.905 > 4 21 La 0.21475343801318 0.58333333333333 0.64953564364248 138.905 > 4 22 La 0.71475343801318 0.58333333333333 0.64953564364248 138.905 > 4 23 La 0.21475343801318 0.91666666666667 0.64953564364248 138.905 > 4 24 La 0.71475343801318 0.91666666666667 0.64953564364248 138.905 > 4 *25 Br 0.46969965124124 0.08333333333333 0.33764185325909 79.904 > 5 26 Br 0.96969965124124 0.08333333333333 0.33764185325909 79.904 > 5 27 Br 0.46969965124124 0.41666666666667 0.33764185325909 79.904 > 5 28 Br 0.96969965124124 0.41666666666667 0.33764185325909 79.904 > 5 29 Br 0.46969965124124 0.75000000000000 0.33764185325909 79.904 > 5 30 Br 0.96969965124124 0.75000000000000 0.33764185325909 79.904 > 5 *31 Br 0.41403513577945 0.25000000000000 0.93181833679657 79.904 > 6 32 Br 0.91403513577945 0.25000000000000 0.93181833679657 79.904 > 6 33 Br 0.41403513577945 0.58333333333333 0.93181833679657 79.904 > 6 34 Br 0.91403513577945 0.58333333333333 0.93181833679657 79.904 > 6 35 Br 0.41403513577945 0.91666666666667 0.93181833679657 79.904 > 6 36 Br 0.91403513577945 0.91666666666667 0.93181833679657 79.904 > 6 *37 Br 0.34251735286979 0.25000000000000 0.48208419597370 79.904 > 7 38 Br 0.84251735286979 0.25000000000000 0.48208419597370 79.904 > 7 39 Br 0.34251735286979 0.58333333333333 0.48208419597370 79.904 > 7 40 Br 0.84251735286979 0.58333333333333 0.48208419597370 79.904 > 7 41 Br 0.34251735286979 0.91666666666667 0.48208419597370 79.904 > 7 42 Br 0.84251735286979 0.91666666666667 0.48208419597370 79.904 > 7 *43 Br 0.31927058630032 0.08333333333333 0.14425905761455 79.904 > 8 44 Br 0.81927058630032 0.08333333333333 0.14425905761455 79.904 > 8 45 Br 0.31927058630032 0.41666666666667 0.14425905761455 79.904 > 8 46 Br 0.81927058630032 0.41666666666667 0.14425905761455 79.904 > 8 47 Br 0.31927058630032 0.75000000000000 0.14425905761455 79.904 > 8 48 Br 0.81927058630032 0.75000000000000 0.14425905761455 79.904 > 8 *49 Br 0.32359140637559 0.08333333333333 0.70844665370367 79.904 > 9 50 Br 0.82359140637559 0.08333333333333 0.70844665370367 79.904 > 9 51 Br 0.32359140637559 0.41666666666667 0.70844665370367 79.904 > 9 52 Br 0.82359140637559 0.41666666666667 0.70844665370367 79.904 > 9 53 Br 0.32359140637559 0.75000000000000 0.70844665370367 79.904 > 9 54 Br 0.82359140637559 0.75000000000000 0.70844665370367 79.904 > 9 55 Br 0.17640859362441 0.25000000000000 0.29155334629633 79.904 > 10 56 Br 0.67640859362441 0.25000000000000 0.29155334629633 79.904 > 10 57 Br 0.17640859362441 0.58333333333333 0.29155334629633 79.904 > 10 58 Br 0.67640859362441 0.58333333333333 0.29155334629633 79.904 > 10 59 Br 0.17640859362441 0.91666666666667 0.29155334629633 79.904 > 10 60 Br 0.67640859362441 0.91666666666667 0.29155334629633 79.904 > 10 61 Br 0.18072941369968 0.25000000000000 0.85574094238545 79.904 > 11 62 Br 0.68072941369968 0.25000000000000 0.85574094238545 79.904 > 11 63 Br 0.18072941369968 0.58333333333333 0.85574094238545 79.904 > 11 64 Br 0.68072941369968 0.58333333333333 0.85574094238545 79.904 > 11 65 Br 0.18072941369968 0.91666666666667 0.85574094238545 79.904 > 11 66 Br 0.68072941369968 0.91666666666667 0.85574094238545 79.904 > 11 67 Br 0.15748264713021 0.08333333333333 0.51791580402630 79.904 > 12 68 Br 0.65748264713021 0.08333333333333 0.51791580402630 79.904 > 12 69 Br 0.15748264713021 0.41666666666667 0.51791580402630 79.904 > 12 70 Br 0.65748264713021 0.41666666666667 0.51791580402630 79.904 > 12 71 Br 0.15748264713021 0.75000000000000 0.51791580402630 79.904 > 12 72 Br 0.65748264713021 0.75000000000000 0.51791580402630 79.904 > 12 73 Br 0.08596486422055 0.08333333333333 0.06818166320343 79.904 > 13 74 Br 0.58596486422055 0.08333333333333 0.06818166320343 79.904 > 13 75 Br 0.08596486422055 0.41666666666667 0.06818166320343 79.904 > 13 76 Br 0.58596486422055 0.41666666666667 0.06818166320343 79.904 > 13 77 Br 0.08596486422055 0.75000000000000 0.06818166320343 79.904 > 13 78 Br 0.58596486422055 0.75000000000000 0.06818166320343 79.904 > 13 79 Br 0.03030034875876 0.25000000000000 0.66235814674091 79.904 > 14 80 Br 0.53030034875876 0.25000000000000 0.66235814674091 79.904 > 14 81 Br 0.03030034875876 0.58333333333333 0.66235814674091 79.904 > 14 82 Br 0.53030034875876 0.58333333333333 0.66235814674091 79.904 > 14 83 Br 0.03030034875876 0.91666666666667 0.66235814674091 79.904 > 14 84 Br 0.53030034875876 0.91666666666667 0.66235814674091 79.904 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5377364 0.0000000 -0.1970127 0.0000000 3.7822614 0.0000000 -0.1970124 0.0000000 3.6961222 -------------------------- Born effective charges -------------------------- 1 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 2 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 3 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 4 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 5 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 6 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 7 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 8 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 9 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 10 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 11 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 12 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 13 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 14 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 379), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.463 Solver_block: 200 / 480 - Time: 1.431 Solver_block: 300 / 480 - Time: 1.434 Solver_block: 400 / 480 - Time: 1.428 Solver_block: 480 / 480 - Time: 1.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.968 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 379), 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 2026-01-08 23:27:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:27:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.906291650210109 0.000000000000000 0.000000000000000 b 0.000000000000000 4.601565070000000 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): 1 Ba 0.94993217960659 0.75000000000000 0.15646025263305 137.327 2 Ba 0.05006782039341 0.25000000000000 0.84353974736695 137.327 3 La 0.57049312397365 0.25000000000000 0.35046435635752 138.905 4 La 0.42950687602635 0.75000000000000 0.64953564364248 138.905 5 Br 0.93939930248248 0.25000000000000 0.33764185325909 79.904 6 Br 0.82807027155889 0.75000000000000 0.93181833679657 79.904 7 Br 0.68503470573958 0.75000000000000 0.48208419597370 79.904 8 Br 0.63854117260063 0.25000000000000 0.14425905761455 79.904 9 Br 0.64718281275119 0.25000000000000 0.70844665370367 79.904 10 Br 0.35281718724882 0.75000000000000 0.29155334629633 79.904 11 Br 0.36145882739937 0.75000000000000 0.85574094238545 79.904 12 Br 0.31496529426042 0.25000000000000 0.51791580402630 79.904 13 Br 0.17192972844111 0.25000000000000 0.06818166320343 79.904 14 Br 0.06060069751752 0.75000000000000 0.66235814674091 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.812583300420219 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804695210000002 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): 1 Ba 0.47496608980330 0.25000000000000 0.15646025263305 137.327 > 1 2 Ba 0.97496608980330 0.25000000000000 0.15646025263305 137.327 > 1 3 Ba 0.47496608980330 0.58333333333333 0.15646025263305 137.327 > 1 4 Ba 0.97496608980330 0.58333333333333 0.15646025263305 137.327 > 1 5 Ba 0.47496608980330 0.91666666666667 0.15646025263305 137.327 > 1 6 Ba 0.97496608980330 0.91666666666667 0.15646025263305 137.327 > 1 7 Ba 0.02503391019670 0.08333333333333 0.84353974736695 137.327 > 7 8 Ba 0.52503391019670 0.08333333333333 0.84353974736695 137.327 > 7 9 Ba 0.02503391019670 0.41666666666667 0.84353974736695 137.327 > 7 10 Ba 0.52503391019670 0.41666666666667 0.84353974736695 137.327 > 7 11 Ba 0.02503391019670 0.75000000000000 0.84353974736695 137.327 > 7 12 Ba 0.52503391019670 0.75000000000000 0.84353974736695 137.327 > 7 13 La 0.28524656198682 0.08333333333333 0.35046435635752 138.905 > 13 14 La 0.78524656198682 0.08333333333333 0.35046435635752 138.905 > 13 15 La 0.28524656198682 0.41666666666667 0.35046435635752 138.905 > 13 16 La 0.78524656198682 0.41666666666667 0.35046435635752 138.905 > 13 17 La 0.28524656198682 0.75000000000000 0.35046435635752 138.905 > 13 18 La 0.78524656198682 0.75000000000000 0.35046435635752 138.905 > 13 19 La 0.21475343801318 0.25000000000000 0.64953564364248 138.905 > 19 20 La 0.71475343801318 0.25000000000000 0.64953564364248 138.905 > 19 21 La 0.21475343801318 0.58333333333333 0.64953564364248 138.905 > 19 22 La 0.71475343801318 0.58333333333333 0.64953564364248 138.905 > 19 23 La 0.21475343801318 0.91666666666667 0.64953564364248 138.905 > 19 24 La 0.71475343801318 0.91666666666667 0.64953564364248 138.905 > 19 25 Br 0.46969965124124 0.08333333333333 0.33764185325909 79.904 > 25 26 Br 0.96969965124124 0.08333333333333 0.33764185325909 79.904 > 25 27 Br 0.46969965124124 0.41666666666667 0.33764185325909 79.904 > 25 28 Br 0.96969965124124 0.41666666666667 0.33764185325909 79.904 > 25 29 Br 0.46969965124124 0.75000000000000 0.33764185325909 79.904 > 25 30 Br 0.96969965124124 0.75000000000000 0.33764185325909 79.904 > 25 31 Br 0.41403513577945 0.25000000000000 0.93181833679657 79.904 > 31 32 Br 0.91403513577945 0.25000000000000 0.93181833679657 79.904 > 31 33 Br 0.41403513577945 0.58333333333333 0.93181833679657 79.904 > 31 34 Br 0.91403513577945 0.58333333333333 0.93181833679657 79.904 > 31 35 Br 0.41403513577945 0.91666666666667 0.93181833679657 79.904 > 31 36 Br 0.91403513577945 0.91666666666667 0.93181833679657 79.904 > 31 37 Br 0.34251735286979 0.25000000000000 0.48208419597370 79.904 > 37 38 Br 0.84251735286979 0.25000000000000 0.48208419597370 79.904 > 37 39 Br 0.34251735286979 0.58333333333333 0.48208419597370 79.904 > 37 40 Br 0.84251735286979 0.58333333333333 0.48208419597370 79.904 > 37 41 Br 0.34251735286979 0.91666666666667 0.48208419597370 79.904 > 37 42 Br 0.84251735286979 0.91666666666667 0.48208419597370 79.904 > 37 43 Br 0.31927058630032 0.08333333333333 0.14425905761455 79.904 > 43 44 Br 0.81927058630032 0.08333333333333 0.14425905761455 79.904 > 43 45 Br 0.31927058630032 0.41666666666667 0.14425905761455 79.904 > 43 46 Br 0.81927058630032 0.41666666666667 0.14425905761455 79.904 > 43 47 Br 0.31927058630032 0.75000000000000 0.14425905761455 79.904 > 43 48 Br 0.81927058630032 0.75000000000000 0.14425905761455 79.904 > 43 49 Br 0.32359140637559 0.08333333333333 0.70844665370367 79.904 > 49 50 Br 0.82359140637559 0.08333333333333 0.70844665370367 79.904 > 49 51 Br 0.32359140637559 0.41666666666667 0.70844665370367 79.904 > 49 52 Br 0.82359140637559 0.41666666666667 0.70844665370367 79.904 > 49 53 Br 0.32359140637559 0.75000000000000 0.70844665370367 79.904 > 49 54 Br 0.82359140637559 0.75000000000000 0.70844665370367 79.904 > 49 55 Br 0.17640859362441 0.25000000000000 0.29155334629633 79.904 > 55 56 Br 0.67640859362441 0.25000000000000 0.29155334629633 79.904 > 55 57 Br 0.17640859362441 0.58333333333333 0.29155334629633 79.904 > 55 58 Br 0.67640859362441 0.58333333333333 0.29155334629633 79.904 > 55 59 Br 0.17640859362441 0.91666666666667 0.29155334629633 79.904 > 55 60 Br 0.67640859362441 0.91666666666667 0.29155334629633 79.904 > 55 61 Br 0.18072941369968 0.25000000000000 0.85574094238545 79.904 > 61 62 Br 0.68072941369968 0.25000000000000 0.85574094238545 79.904 > 61 63 Br 0.18072941369968 0.58333333333333 0.85574094238545 79.904 > 61 64 Br 0.68072941369968 0.58333333333333 0.85574094238545 79.904 > 61 65 Br 0.18072941369968 0.91666666666667 0.85574094238545 79.904 > 61 66 Br 0.68072941369968 0.91666666666667 0.85574094238545 79.904 > 61 67 Br 0.15748264713021 0.08333333333333 0.51791580402630 79.904 > 67 68 Br 0.65748264713021 0.08333333333333 0.51791580402630 79.904 > 67 69 Br 0.15748264713021 0.41666666666667 0.51791580402630 79.904 > 67 70 Br 0.65748264713021 0.41666666666667 0.51791580402630 79.904 > 67 71 Br 0.15748264713021 0.75000000000000 0.51791580402630 79.904 > 67 72 Br 0.65748264713021 0.75000000000000 0.51791580402630 79.904 > 67 73 Br 0.08596486422055 0.08333333333333 0.06818166320343 79.904 > 73 74 Br 0.58596486422055 0.08333333333333 0.06818166320343 79.904 > 73 75 Br 0.08596486422055 0.41666666666667 0.06818166320343 79.904 > 73 76 Br 0.58596486422055 0.41666666666667 0.06818166320343 79.904 > 73 77 Br 0.08596486422055 0.75000000000000 0.06818166320343 79.904 > 73 78 Br 0.58596486422055 0.75000000000000 0.06818166320343 79.904 > 73 79 Br 0.03030034875876 0.25000000000000 0.66235814674091 79.904 > 79 80 Br 0.53030034875876 0.25000000000000 0.66235814674091 79.904 > 79 81 Br 0.03030034875876 0.58333333333333 0.66235814674091 79.904 > 79 82 Br 0.53030034875876 0.58333333333333 0.66235814674091 79.904 > 79 83 Br 0.03030034875876 0.91666666666667 0.66235814674091 79.904 > 79 84 Br 0.53030034875876 0.91666666666667 0.66235814674091 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5377364 0.0000000 -0.1970127 0.0000000 3.7822614 0.0000000 -0.1970124 0.0000000 3.6961222 -------------------------- Born effective charges -------------------------- 1 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 2 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 3 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 4 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 5 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 6 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 7 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 8 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 9 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 10 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 11 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 12 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 13 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 14 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 43, 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (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 2026-01-08 23:27:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:27:26]------------------------- 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: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.906291650210109 0.000000000000000 0.000000000000000 b 0.000000000000000 4.601565070000000 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): 1 Ba 0.94993217960659 0.75000000000000 0.15646025263305 137.327 2 Ba 0.05006782039341 0.25000000000000 0.84353974736695 137.327 3 La 0.57049312397365 0.25000000000000 0.35046435635752 138.905 4 La 0.42950687602635 0.75000000000000 0.64953564364248 138.905 5 Br 0.93939930248248 0.25000000000000 0.33764185325909 79.904 6 Br 0.82807027155889 0.75000000000000 0.93181833679657 79.904 7 Br 0.68503470573958 0.75000000000000 0.48208419597370 79.904 8 Br 0.63854117260063 0.25000000000000 0.14425905761455 79.904 9 Br 0.64718281275119 0.25000000000000 0.70844665370367 79.904 10 Br 0.35281718724882 0.75000000000000 0.29155334629633 79.904 11 Br 0.36145882739937 0.75000000000000 0.85574094238545 79.904 12 Br 0.31496529426042 0.25000000000000 0.51791580402630 79.904 13 Br 0.17192972844111 0.25000000000000 0.06818166320343 79.904 14 Br 0.06060069751752 0.75000000000000 0.66235814674091 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.812583300420219 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804695210000002 0.000000000000000 c -0.246172342282328 0.000000000000000 13.697159805057955 Atomic positions (fractional): 1 Ba 0.47496608980330 0.25000000000000 0.15646025263305 137.327 > 1 2 Ba 0.97496608980330 0.25000000000000 0.15646025263305 137.327 > 1 3 Ba 0.47496608980330 0.58333333333333 0.15646025263305 137.327 > 1 4 Ba 0.97496608980330 0.58333333333333 0.15646025263305 137.327 > 1 5 Ba 0.47496608980330 0.91666666666667 0.15646025263305 137.327 > 1 6 Ba 0.97496608980330 0.91666666666667 0.15646025263305 137.327 > 1 7 Ba 0.02503391019670 0.08333333333333 0.84353974736695 137.327 > 7 8 Ba 0.52503391019670 0.08333333333333 0.84353974736695 137.327 > 7 9 Ba 0.02503391019670 0.41666666666667 0.84353974736695 137.327 > 7 10 Ba 0.52503391019670 0.41666666666667 0.84353974736695 137.327 > 7 11 Ba 0.02503391019670 0.75000000000000 0.84353974736695 137.327 > 7 12 Ba 0.52503391019670 0.75000000000000 0.84353974736695 137.327 > 7 13 La 0.28524656198682 0.08333333333333 0.35046435635752 138.905 > 13 14 La 0.78524656198682 0.08333333333333 0.35046435635752 138.905 > 13 15 La 0.28524656198682 0.41666666666667 0.35046435635752 138.905 > 13 16 La 0.78524656198682 0.41666666666667 0.35046435635752 138.905 > 13 17 La 0.28524656198682 0.75000000000000 0.35046435635752 138.905 > 13 18 La 0.78524656198682 0.75000000000000 0.35046435635752 138.905 > 13 19 La 0.21475343801318 0.25000000000000 0.64953564364248 138.905 > 19 20 La 0.71475343801318 0.25000000000000 0.64953564364248 138.905 > 19 21 La 0.21475343801318 0.58333333333333 0.64953564364248 138.905 > 19 22 La 0.71475343801318 0.58333333333333 0.64953564364248 138.905 > 19 23 La 0.21475343801318 0.91666666666667 0.64953564364248 138.905 > 19 24 La 0.71475343801318 0.91666666666667 0.64953564364248 138.905 > 19 25 Br 0.46969965124124 0.08333333333333 0.33764185325909 79.904 > 25 26 Br 0.96969965124124 0.08333333333333 0.33764185325909 79.904 > 25 27 Br 0.46969965124124 0.41666666666667 0.33764185325909 79.904 > 25 28 Br 0.96969965124124 0.41666666666667 0.33764185325909 79.904 > 25 29 Br 0.46969965124124 0.75000000000000 0.33764185325909 79.904 > 25 30 Br 0.96969965124124 0.75000000000000 0.33764185325909 79.904 > 25 31 Br 0.41403513577945 0.25000000000000 0.93181833679657 79.904 > 31 32 Br 0.91403513577945 0.25000000000000 0.93181833679657 79.904 > 31 33 Br 0.41403513577945 0.58333333333333 0.93181833679657 79.904 > 31 34 Br 0.91403513577945 0.58333333333333 0.93181833679657 79.904 > 31 35 Br 0.41403513577945 0.91666666666667 0.93181833679657 79.904 > 31 36 Br 0.91403513577945 0.91666666666667 0.93181833679657 79.904 > 31 37 Br 0.34251735286979 0.25000000000000 0.48208419597370 79.904 > 37 38 Br 0.84251735286979 0.25000000000000 0.48208419597370 79.904 > 37 39 Br 0.34251735286979 0.58333333333333 0.48208419597370 79.904 > 37 40 Br 0.84251735286979 0.58333333333333 0.48208419597370 79.904 > 37 41 Br 0.34251735286979 0.91666666666667 0.48208419597370 79.904 > 37 42 Br 0.84251735286979 0.91666666666667 0.48208419597370 79.904 > 37 43 Br 0.31927058630032 0.08333333333333 0.14425905761455 79.904 > 43 44 Br 0.81927058630032 0.08333333333333 0.14425905761455 79.904 > 43 45 Br 0.31927058630032 0.41666666666667 0.14425905761455 79.904 > 43 46 Br 0.81927058630032 0.41666666666667 0.14425905761455 79.904 > 43 47 Br 0.31927058630032 0.75000000000000 0.14425905761455 79.904 > 43 48 Br 0.81927058630032 0.75000000000000 0.14425905761455 79.904 > 43 49 Br 0.32359140637559 0.08333333333333 0.70844665370367 79.904 > 49 50 Br 0.82359140637559 0.08333333333333 0.70844665370367 79.904 > 49 51 Br 0.32359140637559 0.41666666666667 0.70844665370367 79.904 > 49 52 Br 0.82359140637559 0.41666666666667 0.70844665370367 79.904 > 49 53 Br 0.32359140637559 0.75000000000000 0.70844665370367 79.904 > 49 54 Br 0.82359140637559 0.75000000000000 0.70844665370367 79.904 > 49 55 Br 0.17640859362441 0.25000000000000 0.29155334629633 79.904 > 55 56 Br 0.67640859362441 0.25000000000000 0.29155334629633 79.904 > 55 57 Br 0.17640859362441 0.58333333333333 0.29155334629633 79.904 > 55 58 Br 0.67640859362441 0.58333333333333 0.29155334629633 79.904 > 55 59 Br 0.17640859362441 0.91666666666667 0.29155334629633 79.904 > 55 60 Br 0.67640859362441 0.91666666666667 0.29155334629633 79.904 > 55 61 Br 0.18072941369968 0.25000000000000 0.85574094238545 79.904 > 61 62 Br 0.68072941369968 0.25000000000000 0.85574094238545 79.904 > 61 63 Br 0.18072941369968 0.58333333333333 0.85574094238545 79.904 > 61 64 Br 0.68072941369968 0.58333333333333 0.85574094238545 79.904 > 61 65 Br 0.18072941369968 0.91666666666667 0.85574094238545 79.904 > 61 66 Br 0.68072941369968 0.91666666666667 0.85574094238545 79.904 > 61 67 Br 0.15748264713021 0.08333333333333 0.51791580402630 79.904 > 67 68 Br 0.65748264713021 0.08333333333333 0.51791580402630 79.904 > 67 69 Br 0.15748264713021 0.41666666666667 0.51791580402630 79.904 > 67 70 Br 0.65748264713021 0.41666666666667 0.51791580402630 79.904 > 67 71 Br 0.15748264713021 0.75000000000000 0.51791580402630 79.904 > 67 72 Br 0.65748264713021 0.75000000000000 0.51791580402630 79.904 > 67 73 Br 0.08596486422055 0.08333333333333 0.06818166320343 79.904 > 73 74 Br 0.58596486422055 0.08333333333333 0.06818166320343 79.904 > 73 75 Br 0.08596486422055 0.41666666666667 0.06818166320343 79.904 > 73 76 Br 0.58596486422055 0.41666666666667 0.06818166320343 79.904 > 73 77 Br 0.08596486422055 0.75000000000000 0.06818166320343 79.904 > 73 78 Br 0.58596486422055 0.75000000000000 0.06818166320343 79.904 > 73 79 Br 0.03030034875876 0.25000000000000 0.66235814674091 79.904 > 79 80 Br 0.53030034875876 0.25000000000000 0.66235814674091 79.904 > 79 81 Br 0.03030034875876 0.58333333333333 0.66235814674091 79.904 > 79 82 Br 0.53030034875876 0.58333333333333 0.66235814674091 79.904 > 79 83 Br 0.03030034875876 0.91666666666667 0.66235814674091 79.904 > 79 84 Br 0.53030034875876 0.91666666666667 0.66235814674091 79.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5377364 0.0000000 -0.1970127 0.0000000 3.7822614 0.0000000 -0.1970124 0.0000000 3.6961222 -------------------------- Born effective charges -------------------------- 1 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 2 Ba 2.2112500 0.0000000 -0.2717076 0.0000000 2.8846301 0.0000000 -0.2836355 0.0000000 2.5691797 3 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 4 La 3.1549563 0.0000000 -0.5709378 0.0000000 3.9724861 0.0000000 -0.5283830 0.0000000 3.6015601 5 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 6 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 7 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 8 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 9 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 10 Br -1.2733139 0.0000000 -0.3932991 0.0000000 -1.9271692 0.0000000 -0.4316121 0.0000000 -0.6715913 11 Br -0.9568695 0.0000000 0.4524967 0.0000000 -0.9954901 0.0000000 0.4828331 0.0000000 -1.5003664 12 Br -0.6133328 0.0000000 0.2741806 0.0000000 -1.5618787 0.0000000 0.2775849 0.0000000 -1.4951411 13 Br -0.8860870 0.0000000 0.1864158 0.0000000 -1.3755585 0.0000000 0.1653865 0.0000000 -1.5749173 14 Br -1.6366030 0.0000000 0.3228515 0.0000000 -0.9970198 0.0000000 0.3178262 0.0000000 -0.9287237 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (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 ... [ 6 11 4 ] 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: 0.52, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 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 0.709 ( 0.000 0.000 0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 12.472 0.000 -8.781) 15.254 0.289 ( 13.891 0.000 -15.183) 20.579 0.423 ( 18.873 0.000 -0.086) 18.873 0.781 ( 6.052 0.000 -3.142) 6.819 0.910 ( -0.050 0.000 -0.370) 0.374 0.980 ( -3.652 0.000 10.172) 10.808 1.287 ( 3.218 0.000 -8.682) 9.259 1.318 ( -2.343 0.000 2.503) 3.429 1.405 ( -6.311 0.000 7.967) 10.163 1.606 ( -1.693 0.000 1.981) 2.606 1.620 ( -1.711 0.000 0.004) 1.711 1.647 ( -1.146 0.000 0.724) 1.355 1.679 ( -0.706 0.000 1.612) 1.760 1.698 ( -2.865 0.000 0.123) 2.867 2.017 ( 7.434 0.000 -10.483) 12.851 2.227 ( 0.363 0.000 -0.214) 0.422 2.277 ( 0.136 0.000 0.057) 0.147 2.388 ( -3.822 0.000 1.795) 4.223 2.489 ( -0.738 0.000 0.655) 0.987 2.616 ( 2.141 0.000 -1.097) 2.406 2.967 ( -0.541 0.000 4.509) 4.541 3.111 ( -2.268 0.000 0.630) 2.354 3.203 ( 0.147 0.000 -0.046) 0.154 3.240 ( -1.650 0.000 0.368) 1.690 3.274 ( 0.169 0.000 -0.028) 0.171 3.314 ( -0.127 0.000 0.021) 0.129 3.364 ( 0.202 0.000 0.076) 0.215 3.391 ( 0.430 0.000 1.529) 1.588 3.416 ( -0.020 0.000 -0.057) 0.060 3.442 ( -2.582 0.000 -3.387) 4.259 3.642 ( -3.082 0.000 1.599) 3.473 3.671 ( -5.524 0.000 -0.420) 5.540 3.866 ( 2.111 0.000 1.298) 2.478 3.886 ( -3.148 0.000 -5.177) 6.059 3.918 ( -0.042 0.000 0.001) 0.042 4.033 ( -0.079 0.000 -0.001) 0.079 4.091 ( 4.526 0.000 -19.327) 19.850 4.338 ( 0.493 0.000 0.552) 0.740 4.843 ( 6.481 0.000 2.919) 7.108 5.065 ( 0.605 0.000 1.644) 1.752 5.518 ( -2.827 0.000 1.253) 3.093 5.631 ( 0.783 0.000 -7.205) 7.247 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 10.959 0.000 -9.358) 14.410 0.563 ( 12.165 0.000 -12.585) 17.503 0.765 ( 12.737 0.000 -0.497) 12.747 0.880 ( -6.190 0.000 11.683) 13.221 0.907 ( 0.277 0.000 -4.273) 4.282 0.921 ( 5.383 0.000 -1.434) 5.571 1.249 ( -4.025 0.000 4.920) 6.357 1.254 ( -7.270 0.000 10.901) 13.103 1.366 ( 4.252 0.000 -8.498) 9.503 1.563 ( -3.341 0.000 2.204) 4.003 1.565 ( -1.403 0.000 0.827) 1.628 1.630 ( -0.567 0.000 0.402) 0.695 1.658 ( -1.069 0.000 1.422) 1.779 1.666 ( -1.198 0.000 -1.313) 1.777 2.127 ( 2.905 0.000 -5.620) 6.327 2.236 ( 0.378 0.000 -0.218) 0.436 2.280 ( 0.120 0.000 0.069) 0.139 2.325 ( -1.978 0.000 0.532) 2.048 2.486 ( 0.813 0.000 -0.165) 0.829 2.639 ( 0.147 0.000 -0.012) 0.148 2.960 ( -0.113 0.000 1.506) 1.510 3.061 ( -2.073 0.000 0.940) 2.276 3.197 ( -2.109 0.000 0.440) 2.155 3.206 ( 0.143 0.000 -0.048) 0.151 3.272 ( -0.685 0.000 1.272) 1.445 3.311 ( -0.120 0.000 0.028) 0.123 3.368 ( 0.195 0.000 0.075) 0.209 3.375 ( -2.445 0.000 -2.144) 3.252 3.406 ( 0.473 0.000 1.224) 1.313 3.416 ( -0.020 0.000 -0.060) 0.064 3.532 ( -3.949 0.000 1.101) 4.100 3.628 ( -1.070 0.000 -0.386) 1.138 3.835 ( -1.652 0.000 -1.307) 2.107 3.902 ( 1.126 0.000 1.134) 1.598 3.917 ( -0.042 0.000 0.001) 0.042 4.031 ( -0.079 0.000 -0.001) 0.079 4.162 ( 2.532 0.000 -7.950) 8.344 4.352 ( 0.717 0.000 0.109) 0.726 4.947 ( 2.486 0.000 5.773) 6.286 5.091 ( 1.694 0.000 -7.394) 7.586 5.491 ( 0.566 0.000 3.610) 3.654 5.620 ( -1.565 0.000 -1.419) 2.113 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 0.000 0.000) 0.000 0.733 ( 0.000 0.000 0.000) 0.000 0.752 ( 0.000 0.000 -0.000) 0.000 0.872 ( 0.000 0.000 -0.000) 0.000 0.915 ( 0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 -0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 -0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 -0.000) 0.000 1.553 ( 0.000 0.000 -0.000) 0.000 1.624 ( 0.000 0.000 -0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 -0.000) 0.000 3.036 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 -0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 -0.000) 0.000 3.917 ( 0.000 0.000 -0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 -0.000) 0.000 4.969 ( 0.000 0.000 -0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.517 ( -0.000 0.000 -0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/84) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( 0.000 10.221 0.000) 10.221 0.359 ( 0.000 18.451 0.000) 18.451 0.538 ( 0.000 25.945 0.000) 25.945 0.747 ( 0.000 4.186 0.000) 4.186 0.880 ( 0.000 0.586 0.000) 0.586 1.085 ( 0.000 3.372 0.000) 3.372 1.222 ( 0.000 -3.515 0.000) 3.515 1.335 ( 0.000 -0.242 0.000) 0.242 1.506 ( 0.000 3.081 0.000) 3.081 1.540 ( 0.000 -1.024 0.000) 1.024 1.676 ( 0.000 3.246 0.000) 3.246 1.747 ( 0.000 6.829 0.000) 6.829 1.792 ( 0.000 10.708 0.000) 10.708 1.824 ( 0.000 4.104 0.000) 4.104 1.915 ( 0.000 2.877 0.000) 2.877 2.300 ( 0.000 2.427 0.000) 2.427 2.307 ( 0.000 -1.124 0.000) 1.124 2.418 ( 0.000 -2.531 0.000) 2.531 2.492 ( 0.000 -0.624 0.000) 0.624 2.553 ( 0.000 -2.102 0.000) 2.102 2.960 ( 0.000 -0.046 0.000) 0.046 3.067 ( 0.000 -4.443 0.000) 4.443 3.221 ( 0.000 -1.294 0.000) 1.294 3.242 ( 0.000 -1.717 0.000) 1.717 3.256 ( 0.000 -4.965 0.000) 4.965 3.305 ( 0.000 2.951 0.000) 2.951 3.314 ( 0.000 -0.882 0.000) 0.882 3.345 ( 0.000 -2.229 0.000) 2.229 3.467 ( 0.000 2.129 0.000) 2.129 3.558 ( 0.000 0.113 0.000) 0.113 3.654 ( 0.000 -0.536 0.000) 0.536 3.674 ( 0.000 0.985 0.000) 0.985 3.789 ( 0.000 -1.472 0.000) 1.472 3.848 ( 0.000 -3.824 0.000) 3.824 3.962 ( 0.000 -0.068 0.000) 0.068 4.098 ( 0.000 3.259 0.000) 3.259 4.388 ( 0.000 5.558 0.000) 5.558 4.725 ( 0.000 -2.806 0.000) 2.806 4.824 ( 0.000 -5.182 0.000) 5.182 5.120 ( 0.000 -1.784 0.000) 1.784 5.226 ( 0.000 -2.616 0.000) 2.616 5.542 ( 0.000 -3.003 0.000) 3.003 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 4.843 11.777 0.177) 12.735 0.416 ( 11.614 7.358 -1.231) 13.803 0.684 ( 10.211 18.808 -6.960) 22.505 0.816 ( 6.067 4.750 -4.009) 8.686 0.887 ( 0.295 0.749 1.745) 1.922 1.036 ( -3.746 2.277 5.611) 7.121 1.269 ( 1.691 -3.164 -1.637) 3.944 1.333 ( 1.222 2.306 -3.946) 4.731 1.464 ( -3.055 4.549 2.249) 5.923 1.562 ( 0.568 -2.096 -0.268) 2.188 1.618 ( -5.693 2.456 7.608) 9.815 1.731 ( -1.720 4.695 1.629) 5.259 1.749 ( -1.691 5.268 0.473) 5.553 1.775 ( -1.813 10.424 1.789) 10.731 2.037 ( 6.922 2.271 -9.935) 12.320 2.285 ( -0.892 2.451 0.743) 2.712 2.302 ( -0.637 0.732 -1.792) 2.038 2.382 ( -2.186 0.468 1.672) 2.791 2.475 ( -0.667 -1.116 1.315) 1.849 2.583 ( 1.682 -2.815 -0.547) 3.324 2.952 ( -1.091 -1.264 3.024) 3.455 3.041 ( -1.014 -3.101 -0.650) 3.326 3.210 ( -0.396 -1.944 1.092) 2.265 3.221 ( -1.024 -1.975 -1.644) 2.766 3.291 ( -0.669 1.268 -0.408) 1.490 3.306 ( 1.242 -3.307 1.033) 3.680 3.323 ( 1.002 -0.907 -1.596) 2.092 3.369 ( 1.447 -1.642 2.542) 3.354 3.451 ( -1.695 1.089 0.253) 2.030 3.512 ( -3.326 3.788 -0.497) 5.066 3.595 ( -4.528 -1.048 0.678) 4.697 3.657 ( -1.914 -0.028 -0.279) 1.934 3.796 ( 0.256 -2.108 -1.102) 2.393 3.825 ( -0.446 -3.302 0.435) 3.360 3.971 ( 0.166 -0.673 -0.841) 1.090 4.093 ( -0.414 3.395 0.447) 3.450 4.386 ( -0.209 5.335 1.034) 5.438 4.445 ( -14.595 17.417 -9.819) 24.754 4.822 ( 6.000 -1.879 2.312) 6.699 5.019 ( 0.205 -4.455 3.476) 5.654 5.414 ( 1.879 -8.986 -3.499) 9.825 5.563 ( 1.463 -4.111 -2.178) 4.877 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 8.608 4.409 -7.440) 12.202 0.676 ( 11.172 4.075 -0.458) 11.901 0.823 ( -1.332 2.118 6.345) 6.821 0.905 ( 3.593 3.447 0.149) 4.981 0.964 ( 5.366 9.371 -6.488) 12.598 0.985 ( 1.494 4.407 -4.821) 6.701 1.247 ( -2.214 0.331 2.688) 3.498 1.331 ( -4.623 5.770 7.796) 10.744 1.449 ( 3.452 6.403 -7.182) 10.222 1.504 ( -3.349 -0.761 5.232) 6.259 1.566 ( -0.986 -1.239 0.245) 1.602 1.684 ( -2.370 1.860 2.221) 3.743 1.729 ( -1.082 7.891 -0.112) 7.966 1.735 ( -1.392 7.929 1.193) 8.138 2.144 ( 3.051 1.711 -5.591) 6.595 2.270 ( -0.584 2.059 0.350) 2.169 2.278 ( -1.143 -0.145 -1.000) 1.526 2.362 ( 0.035 3.764 0.668) 3.823 2.474 ( 0.633 -0.975 0.435) 1.241 2.606 ( 0.426 -2.964 -0.015) 2.995 2.926 ( -1.076 -2.882 2.358) 3.876 3.033 ( -0.016 -1.209 -0.860) 1.484 3.178 ( -1.835 -1.627 0.622) 2.530 3.219 ( 0.066 -1.342 0.034) 1.344 3.281 ( -0.483 1.469 -0.110) 1.550 3.307 ( -0.389 -1.069 1.019) 1.527 3.347 ( 0.658 -3.000 -1.354) 3.356 3.378 ( -0.994 0.565 1.291) 1.724 3.401 ( -1.773 -3.395 0.487) 3.861 3.455 ( -1.452 5.182 -0.954) 5.465 3.516 ( -2.332 1.260 0.302) 2.668 3.624 ( -1.073 -0.381 0.239) 1.163 3.787 ( -0.689 -2.263 -0.244) 2.378 3.835 ( 0.640 -4.329 -0.015) 4.376 3.964 ( -0.543 0.266 -0.072) 0.609 4.087 ( -0.075 3.498 0.383) 3.519 4.283 ( -2.693 10.670 -5.106) 12.131 4.396 ( 0.482 4.188 0.116) 4.217 4.921 ( 2.571 -2.617 5.920) 6.964 5.045 ( 1.524 -4.641 -7.120) 8.635 5.436 ( 1.980 -5.854 2.502) 6.667 5.561 ( -1.661 -4.440 -1.205) 4.891 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 -0.212 0.000) 0.212 0.728 ( 0.000 3.454 -0.000) 3.454 0.867 ( -0.000 2.247 -0.000) 2.247 0.896 ( 0.000 1.344 0.000) 1.344 1.004 ( 0.000 6.961 0.000) 6.961 1.063 ( 0.000 4.958 0.000) 4.958 1.224 ( 0.000 7.604 -0.000) 7.604 1.249 ( -0.000 6.251 0.000) 6.251 1.475 ( 0.000 -3.261 -0.000) 3.261 1.522 ( -0.000 8.300 0.000) 8.300 1.525 ( 0.000 -1.054 -0.000) 1.054 1.654 ( 0.000 0.672 0.000) 0.672 1.713 ( 0.000 8.849 0.000) 8.849 1.721 ( 0.000 6.037 -0.000) 6.037 2.170 ( 0.000 1.844 -0.000) 1.844 2.260 ( 0.000 -1.236 0.000) 1.236 2.268 ( 0.000 2.592 0.000) 2.592 2.365 ( 0.000 4.655 0.000) 4.655 2.487 ( 0.000 -1.318 0.000) 1.318 2.608 ( 0.000 -2.598 0.000) 2.598 2.915 ( 0.000 -3.428 -0.000) 3.428 3.033 ( 0.000 -0.186 0.000) 0.186 3.156 ( 0.000 -1.421 -0.000) 1.421 3.218 ( 0.000 -1.303 0.000) 1.303 3.269 ( 0.000 2.041 0.000) 2.041 3.303 ( 0.000 -1.147 0.000) 1.147 3.346 ( 0.000 -1.222 0.000) 1.222 3.370 ( 0.000 -1.084 -0.000) 1.084 3.386 ( 0.000 -3.912 0.000) 3.912 3.444 ( 0.000 4.411 0.000) 4.411 3.491 ( 0.000 2.062 0.000) 2.062 3.613 ( 0.000 -0.286 0.000) 0.286 3.778 ( 0.000 -2.130 0.000) 2.130 3.842 ( 0.000 -4.757 0.000) 4.757 3.957 ( 0.000 0.715 0.000) 0.715 4.088 ( 0.000 3.426 0.000) 3.426 4.260 ( 0.000 7.230 0.000) 7.230 4.402 ( 0.000 3.949 -0.000) 3.949 4.946 ( 0.000 -2.369 -0.000) 2.369 5.059 ( 0.000 -4.962 0.000) 4.962 5.501 ( -0.000 -1.453 -0.000) 1.453 5.504 ( 0.000 -7.907 0.000) 7.907 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 0.000 8.105 0.000) 8.105 0.725 ( 0.000 18.311 0.000) 18.311 0.828 ( 0.000 5.650 0.000) 5.650 0.929 ( 0.000 4.080 0.000) 4.080 1.030 ( 0.000 17.542 0.000) 17.542 1.092 ( 0.000 -2.281 0.000) 2.281 1.154 ( 0.000 1.117 0.000) 1.117 1.325 ( 0.000 -1.051 0.000) 1.051 1.527 ( 0.000 -0.621 0.000) 0.621 1.584 ( 0.000 4.336 0.000) 4.336 1.786 ( 0.000 7.737 0.000) 7.737 1.875 ( 0.000 5.128 0.000) 5.128 1.966 ( 0.000 9.942 0.000) 9.942 1.984 ( 0.000 4.229 0.000) 4.229 2.047 ( 0.000 12.723 0.000) 12.723 2.256 ( 0.000 -3.896 0.000) 3.896 2.372 ( 0.000 5.229 0.000) 5.229 2.378 ( 0.000 -1.082 0.000) 1.082 2.475 ( 0.000 -1.267 0.000) 1.267 2.503 ( 0.000 -2.737 0.000) 2.737 2.965 ( 0.000 0.492 0.000) 0.492 2.991 ( 0.000 -3.207 0.000) 3.207 3.132 ( 0.000 -6.749 0.000) 6.749 3.172 ( 0.000 -3.119 0.000) 3.119 3.200 ( 0.000 -2.483 0.000) 2.483 3.271 ( 0.000 -3.023 0.000) 3.023 3.328 ( 0.000 -0.206 0.000) 0.206 3.344 ( 0.000 0.665 0.000) 0.665 3.481 ( 0.000 -1.147 0.000) 1.147 3.557 ( 0.000 -0.138 0.000) 0.138 3.656 ( 0.000 1.120 0.000) 1.120 3.658 ( 0.000 -3.260 0.000) 3.260 3.782 ( 0.000 1.165 0.000) 1.165 3.782 ( 0.000 -2.994 0.000) 2.994 3.967 ( 0.000 0.760 0.000) 0.760 4.136 ( 0.000 1.065 0.000) 1.065 4.514 ( 0.000 5.866 0.000) 5.866 4.648 ( 0.000 -4.799 0.000) 4.799 4.690 ( 0.000 -7.609 0.000) 7.609 5.077 ( 0.000 -2.323 0.000) 2.323 5.153 ( 0.000 -4.608 0.000) 4.608 5.466 ( 0.000 -4.552 0.000) 4.552 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 8.361 5.609 0.493) 10.080 0.695 ( -1.194 17.325 3.350) 17.686 0.866 ( 3.432 4.038 -2.667) 5.932 0.924 ( -0.347 4.040 3.715) 5.500 1.051 ( -1.540 0.584 2.464) 2.964 1.107 ( 3.499 8.778 -4.341) 10.399 1.219 ( 5.562 6.072 -5.723) 10.027 1.342 ( 1.291 -1.559 -2.832) 3.481 1.519 ( -1.484 0.605 0.687) 1.743 1.578 ( 0.666 3.831 -1.527) 4.178 1.755 ( -3.326 9.257 5.231) 11.141 1.835 ( -5.084 6.082 5.679) 9.751 1.870 ( -1.710 6.615 1.723) 7.047 2.012 ( -2.063 11.523 2.568) 11.985 2.108 ( 5.305 4.829 -8.556) 11.166 2.258 ( -0.014 -3.497 -1.938) 3.998 2.354 ( -0.714 4.859 -0.882) 4.989 2.412 ( 1.931 1.669 0.477) 2.596 2.453 ( -0.948 -0.876 1.781) 2.200 2.523 ( 1.129 -3.026 0.264) 3.240 2.921 ( -2.646 -1.545 3.357) 4.545 3.010 ( 0.711 -0.486 -2.347) 2.500 3.142 ( 1.005 -5.706 -1.496) 5.984 3.162 ( -1.045 -3.584 0.569) 3.776 3.206 ( 0.606 -3.409 -0.974) 3.597 3.286 ( 0.640 -3.363 2.644) 4.326 3.328 ( -0.370 -1.210 1.608) 2.047 3.337 ( -0.239 0.592 -2.077) 2.173 3.452 ( -2.398 -0.896 0.248) 2.572 3.551 ( -0.653 0.663 -1.100) 1.441 3.622 ( -2.693 2.323 -1.023) 3.701 3.640 ( -1.461 -2.235 1.569) 3.097 3.761 ( -0.844 -1.673 -0.535) 1.948 3.784 ( -0.334 -0.229 0.653) 0.768 3.961 ( -0.528 0.034 -0.098) 0.538 4.139 ( 0.210 1.683 0.162) 1.704 4.497 ( -0.724 5.114 0.670) 5.209 4.598 ( -5.394 -0.301 -2.529) 5.965 4.770 ( 5.665 -4.233 -2.240) 7.418 4.922 ( -5.096 -3.751 8.062) 10.249 5.246 ( 2.498 -7.287 -5.670) 9.565 5.481 ( 0.983 -4.380 -0.176) 4.492 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 4.982 8.863 0.773) 10.197 0.753 ( 7.241 6.116 -0.549) 9.494 0.889 ( -3.378 4.653 6.987) 9.049 0.940 ( 2.104 1.111 -0.356) 2.405 1.039 ( 1.309 1.720 -3.466) 4.084 1.149 ( 0.473 2.296 -2.265) 3.260 1.344 ( -1.356 -1.573 -0.466) 2.129 1.354 ( 6.219 11.186 -8.659) 15.453 1.492 ( 0.055 1.434 -0.002) 1.435 1.619 ( 2.373 3.533 -2.979) 5.195 1.655 ( -5.330 12.122 9.668) 16.396 1.747 ( -3.259 5.545 3.475) 7.311 1.846 ( -0.812 5.779 0.144) 5.838 1.963 ( -2.306 11.123 2.724) 11.682 2.191 ( 2.486 2.521 -4.446) 5.684 2.248 ( -0.717 -1.572 -1.793) 2.490 2.344 ( -0.211 5.316 -1.027) 5.419 2.436 ( 0.578 2.400 1.251) 2.767 2.463 ( 1.304 0.399 0.298) 1.396 2.541 ( 0.557 -3.103 0.167) 3.157 2.876 ( -1.536 -1.666 2.423) 3.318 3.021 ( 0.552 -0.411 -1.664) 1.801 3.132 ( -1.410 -3.265 0.213) 3.563 3.162 ( 0.501 -3.972 0.355) 4.019 3.219 ( 0.573 -4.931 -1.247) 5.118 3.282 ( -0.849 -4.490 2.238) 5.088 3.320 ( 0.062 -0.562 0.675) 0.881 3.335 ( -0.175 0.166 -1.274) 1.296 3.398 ( -2.346 0.296 -0.285) 2.381 3.531 ( -0.837 1.945 -1.402) 2.540 3.569 ( -1.821 2.176 0.079) 2.839 3.618 ( -0.564 0.460 1.078) 1.300 3.746 ( -0.618 -2.002 -0.049) 2.096 3.776 ( -0.338 -1.053 0.188) 1.121 3.948 ( -0.538 -0.756 0.008) 0.928 4.143 ( 0.129 2.421 0.150) 2.429 4.467 ( -4.983 6.020 -1.931) 8.050 4.493 ( -0.084 4.890 0.935) 4.979 4.848 ( 1.670 -4.398 5.828) 7.490 4.913 ( 1.746 -8.420 -5.710) 10.323 5.283 ( 2.071 -8.238 -0.507) 8.510 5.484 ( -0.803 -3.444 -0.141) 3.539 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 8.658 0.000) 8.658 0.827 ( 0.000 6.392 -0.000) 6.392 0.893 ( -0.000 0.797 0.000) 0.797 0.913 ( 0.000 0.099 -0.000) 0.099 1.087 ( 0.000 1.834 0.000) 1.834 1.130 ( 0.000 2.144 0.000) 2.144 1.323 ( 0.000 -0.546 -0.000) 0.546 1.423 ( 0.000 5.859 0.000) 5.859 1.520 ( -0.000 6.552 0.000) 6.552 1.566 ( 0.000 12.445 -0.000) 12.445 1.658 ( 0.000 -0.411 -0.000) 0.411 1.707 ( -0.000 8.996 0.000) 8.996 1.838 ( 0.000 6.207 0.000) 6.207 1.935 ( 0.000 10.922 0.000) 10.922 2.218 ( 0.000 2.789 0.000) 2.789 2.233 ( 0.000 -1.531 0.000) 1.531 2.343 ( 0.000 5.386 0.000) 5.386 2.445 ( 0.000 1.899 0.000) 1.899 2.479 ( 0.000 1.487 0.000) 1.487 2.547 ( 0.000 -3.163 0.000) 3.163 2.861 ( 0.000 -1.681 0.000) 1.681 3.028 ( 0.000 -0.667 0.000) 0.667 3.117 ( 0.000 -2.502 0.000) 2.502 3.162 ( 0.000 -3.789 0.000) 3.789 3.228 ( 0.000 -5.557 -0.000) 5.557 3.270 ( 0.000 -3.602 0.000) 3.602 3.328 ( 0.000 -0.171 0.000) 0.171 3.330 ( -0.000 0.376 -0.000) 0.376 3.368 ( 0.000 -0.230 0.000) 0.230 3.522 ( 0.000 2.398 -0.000) 2.398 3.550 ( 0.000 2.264 0.000) 2.264 3.614 ( 0.000 1.067 0.000) 1.067 3.739 ( 0.000 -1.982 -0.000) 1.982 3.772 ( 0.000 -1.677 0.000) 1.677 3.942 ( 0.000 -0.980 0.000) 0.980 4.144 ( 0.000 2.623 0.000) 2.623 4.412 ( 0.000 6.457 0.000) 6.457 4.494 ( 0.000 4.523 -0.000) 4.523 4.869 ( 0.000 -5.559 -0.000) 5.559 4.927 ( 0.000 -7.808 0.000) 7.808 5.318 ( 0.000 -9.660 0.000) 9.660 5.466 ( 0.000 -1.990 0.000) 1.990 ======================= Grid point 21 (13/84) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 5.045 0.000) 5.045 0.868 ( 0.000 -2.708 0.000) 2.708 0.969 ( 0.000 1.084 0.000) 1.084 1.057 ( 0.000 1.762 0.000) 1.762 1.104 ( 0.000 16.346 0.000) 16.346 1.115 ( 0.000 4.707 0.000) 4.707 1.285 ( 0.000 -3.135 0.000) 3.135 1.456 ( 0.000 15.233 0.000) 15.233 1.518 ( 0.000 -0.079 0.000) 0.079 1.666 ( 0.000 4.311 0.000) 4.311 1.939 ( 0.000 6.454 0.000) 6.454 1.954 ( 0.000 3.190 0.000) 3.190 2.070 ( 0.000 4.792 0.000) 4.792 2.153 ( 0.000 6.595 0.000) 6.595 2.191 ( 0.000 -1.134 0.000) 1.134 2.234 ( 0.000 5.541 0.000) 5.541 2.371 ( 0.000 -0.126 0.000) 0.126 2.447 ( 0.000 -0.483 0.000) 0.483 2.449 ( 0.000 -2.631 0.000) 2.631 2.523 ( 0.000 9.517 0.000) 9.517 2.937 ( 0.000 -2.334 0.000) 2.334 2.957 ( 0.000 -2.997 0.000) 2.997 3.026 ( 0.000 -2.096 0.000) 2.096 3.112 ( 0.000 -2.732 0.000) 2.732 3.148 ( 0.000 -2.597 0.000) 2.597 3.206 ( 0.000 -3.443 0.000) 3.443 3.321 ( 0.000 -1.005 0.000) 1.005 3.332 ( 0.000 -1.747 0.000) 1.747 3.425 ( 0.000 -3.778 0.000) 3.778 3.550 ( 0.000 -2.071 0.000) 2.071 3.576 ( 0.000 -2.819 0.000) 2.819 3.691 ( 0.000 1.360 0.000) 1.360 3.731 ( 0.000 -1.406 0.000) 1.406 3.807 ( 0.000 0.975 0.000) 0.975 3.999 ( 0.000 2.585 0.000) 2.585 4.161 ( 0.000 1.848 0.000) 1.848 4.528 ( 0.000 -5.780 0.000) 5.780 4.547 ( 0.000 -5.090 0.000) 5.090 4.615 ( 0.000 1.812 0.000) 1.812 5.038 ( 0.000 -1.478 0.000) 1.478 5.052 ( 0.000 -5.477 0.000) 5.477 5.365 ( 0.000 -5.647 0.000) 5.647 ======================= Grid point 22 (14/84) ======================= q-point: ( 0.17 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 5.693 3.562 -0.356) 6.725 0.881 ( 1.344 -2.646 -1.375) 3.271 0.990 ( 1.749 0.862 1.553) 2.493 1.038 ( -1.988 4.579 2.251) 5.476 1.046 ( -3.618 12.481 4.310) 13.691 1.143 ( 2.342 4.794 -1.365) 5.507 1.287 ( -0.001 -3.395 -2.367) 4.139 1.498 ( 1.384 6.782 -4.111) 8.051 1.553 ( 4.198 6.618 -3.291) 8.500 1.653 ( -0.563 5.051 0.305) 5.091 1.902 ( -2.798 4.620 1.520) 5.611 1.959 ( -0.039 5.951 -0.163) 5.954 2.011 ( -4.444 7.512 7.557) 11.545 2.168 ( -0.265 2.702 -0.240) 2.725 2.194 ( -1.791 2.261 -0.019) 2.885 2.216 ( 2.066 2.027 -3.637) 4.648 2.411 ( 2.582 -0.730 -0.584) 2.746 2.447 ( 0.136 -0.063 1.914) 1.920 2.470 ( 1.348 -1.015 -1.485) 2.248 2.519 ( -0.123 9.269 -0.396) 9.278 2.899 ( -1.976 -0.821 1.892) 2.856 2.993 ( 1.408 -4.056 -1.847) 4.674 3.024 ( -0.025 -2.652 -1.049) 2.852 3.101 ( -0.606 -2.458 1.380) 2.883 3.153 ( 0.336 -2.352 -1.405) 2.760 3.199 ( -1.064 -4.786 2.200) 5.374 3.300 ( -0.841 -2.162 1.460) 2.740 3.341 ( 0.558 -0.011 -2.086) 2.160 3.417 ( -0.762 -2.370 0.157) 2.494 3.554 ( 0.130 -1.749 -2.160) 2.782 3.564 ( -0.962 -2.462 1.624) 3.102 3.680 ( -0.832 2.154 -1.186) 2.596 3.726 ( -0.476 -1.128 0.212) 1.243 3.801 ( -0.647 0.998 0.785) 1.425 3.983 ( -1.274 2.338 0.777) 2.773 4.176 ( 1.104 2.252 -0.288) 2.524 4.529 ( -0.239 -4.671 -0.094) 4.678 4.548 ( 0.240 -1.525 0.062) 1.545 4.665 ( 4.018 -3.874 -1.991) 5.926 4.884 ( -7.788 -1.205 6.543) 10.243 5.127 ( 1.756 -4.837 -5.146) 7.277 5.386 ( 1.591 -5.317 0.296) 5.558 ======================= Grid point 23 (15/84) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 6.915 0.840 -0.537) 6.987 0.910 ( 0.631 -3.171 0.649) 3.297 0.985 ( -1.619 12.508 3.558) 13.105 0.995 ( -2.165 4.962 1.432) 5.600 1.037 ( 2.482 -0.669 0.111) 2.573 1.187 ( 0.473 2.890 -1.342) 3.221 1.288 ( 1.121 -2.042 -3.238) 3.989 1.488 ( -1.607 2.937 -0.526) 3.389 1.628 ( 1.100 -0.258 -1.417) 1.812 1.685 ( 4.246 12.516 -6.104) 14.558 1.842 ( -2.721 4.526 3.025) 6.086 1.910 ( -4.230 10.869 7.590) 13.915 1.968 ( 0.545 6.181 -1.404) 6.362 2.122 ( -2.615 4.890 3.132) 6.369 2.195 ( 0.709 -1.124 -1.800) 2.237 2.254 ( 1.136 1.265 -2.872) 3.337 2.442 ( 0.673 0.315 0.199) 0.770 2.459 ( -0.036 -1.162 2.433) 2.696 2.491 ( 1.514 3.159 -3.538) 4.979 2.529 ( 0.684 5.789 0.658) 5.867 2.866 ( -1.123 0.449 1.419) 1.864 2.995 ( -0.691 -3.710 -1.088) 3.928 3.036 ( 1.036 -4.304 -0.352) 4.441 3.099 ( 0.020 -2.227 0.840) 2.380 3.140 ( -1.184 -3.477 -0.786) 3.756 3.186 ( 0.116 -4.455 1.161) 4.605 3.302 ( 0.855 -1.359 1.189) 1.998 3.349 ( 0.244 0.923 -1.432) 1.721 3.389 ( -1.939 -1.069 -0.337) 2.240 3.545 ( -0.665 -0.090 0.347) 0.755 3.550 ( -0.341 -2.364 -1.032) 2.602 3.666 ( -0.297 2.619 -0.866) 2.775 3.715 ( -0.532 -0.712 0.299) 0.938 3.784 ( -0.839 1.042 0.828) 1.574 3.958 ( -0.887 2.006 0.573) 2.267 4.196 ( 0.687 3.053 -0.177) 3.135 4.507 ( -1.788 -1.468 -0.134) 2.318 4.553 ( 0.112 0.252 0.489) 0.561 4.738 ( 1.427 -8.083 -3.054) 8.758 4.774 ( -1.558 -2.502 4.172) 5.108 5.147 ( 0.814 -5.309 -1.849) 5.681 5.412 ( 0.605 -4.216 0.114) 4.261 ======================= Grid point 24 (16/84) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.000 -0.014 0.000) 0.014 0.875 ( 0.000 -3.766 -0.000) 3.766 0.966 ( 0.000 6.670 -0.000) 6.670 0.981 ( 0.000 10.742 0.000) 10.742 1.075 ( 0.000 -2.792 0.000) 2.792 1.167 ( 0.000 1.607 0.000) 1.607 1.323 ( 0.000 1.553 0.000) 1.553 1.458 ( 0.000 1.728 -0.000) 1.728 1.634 ( 0.000 -1.550 0.000) 1.550 1.761 ( 0.000 12.617 0.000) 12.617 1.789 ( -0.000 6.145 0.000) 6.145 1.862 ( 0.000 9.192 -0.000) 9.192 1.981 ( 0.000 7.357 0.000) 7.357 2.088 ( 0.000 4.575 -0.000) 4.575 2.204 ( 0.000 -1.058 0.000) 1.058 2.262 ( 0.000 1.329 0.000) 1.329 2.451 ( -0.000 0.986 0.000) 0.986 2.454 ( 0.000 -0.019 -0.000) 0.019 2.513 ( 0.000 0.766 0.000) 0.766 2.535 ( 0.000 6.087 0.000) 6.087 2.854 ( 0.000 0.895 0.000) 0.895 2.985 ( 0.000 -4.250 0.000) 4.250 3.056 ( 0.000 -3.282 0.000) 3.282 3.085 ( 0.000 -3.610 0.000) 3.610 3.135 ( 0.000 -3.198 -0.000) 3.198 3.187 ( 0.000 -4.194 0.000) 4.194 3.327 ( 0.000 -0.313 0.000) 0.313 3.349 ( -0.000 0.603 -0.000) 0.603 3.353 ( 0.000 -0.359 0.000) 0.359 3.538 ( 0.000 0.063 -0.000) 0.063 3.546 ( 0.000 -1.798 0.000) 1.798 3.664 ( 0.000 2.596 0.000) 2.596 3.708 ( 0.000 -0.482 0.000) 0.482 3.774 ( 0.000 1.053 0.000) 1.053 3.949 ( 0.000 1.918 0.000) 1.918 4.203 ( 0.000 3.400 0.000) 3.400 4.481 ( 0.000 0.316 0.000) 0.316 4.554 ( 0.000 0.829 0.000) 0.829 4.735 ( 0.000 -7.083 0.000) 7.083 4.781 ( 0.000 -6.074 0.000) 6.074 5.159 ( 0.000 -6.055 0.000) 6.055 5.416 ( 0.000 -3.375 0.000) 3.375 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 2.013 0.000) 2.013 0.774 ( 0.000 -5.478 0.000) 5.478 0.946 ( 0.000 -0.862 0.000) 0.862 1.146 ( 0.000 5.640 0.000) 5.640 1.191 ( 0.000 -4.969 0.000) 4.969 1.244 ( 0.000 5.538 0.000) 5.538 1.409 ( 0.000 11.553 0.000) 11.553 1.545 ( 0.000 4.909 0.000) 4.909 1.570 ( 0.000 -2.012 0.000) 2.012 1.824 ( 0.000 10.083 0.000) 10.083 2.016 ( 0.000 1.787 0.000) 1.787 2.017 ( 0.000 2.763 0.000) 2.763 2.163 ( 0.000 3.243 0.000) 3.243 2.164 ( 0.000 0.071 0.000) 0.071 2.226 ( 0.000 -1.330 0.000) 1.330 2.293 ( 0.000 1.486 0.000) 1.486 2.343 ( 0.000 -0.998 0.000) 0.998 2.400 ( 0.000 -2.189 0.000) 2.189 2.518 ( 0.000 6.391 0.000) 6.391 2.693 ( 0.000 6.147 0.000) 6.147 2.875 ( 0.000 -3.218 0.000) 3.218 2.900 ( 0.000 -1.259 0.000) 1.259 3.030 ( 0.000 0.929 0.000) 0.929 3.067 ( 0.000 -1.932 0.000) 1.932 3.104 ( 0.000 -1.731 0.000) 1.731 3.134 ( 0.000 -4.099 0.000) 4.099 3.269 ( 0.000 -3.426 0.000) 3.426 3.285 ( 0.000 -2.648 0.000) 2.648 3.378 ( 0.000 -0.780 0.000) 0.780 3.463 ( 0.000 -4.417 0.000) 4.417 3.576 ( 0.000 0.739 0.000) 0.739 3.665 ( 0.000 -2.324 0.000) 2.324 3.756 ( 0.000 1.972 0.000) 1.972 3.816 ( 0.000 -0.072 0.000) 0.072 4.071 ( 0.000 4.688 0.000) 4.688 4.210 ( 0.000 2.652 0.000) 2.652 4.437 ( 0.000 -2.781 0.000) 2.781 4.458 ( 0.000 -3.701 0.000) 3.701 4.637 ( 0.000 0.687 0.000) 0.687 4.938 ( 0.000 -6.191 0.000) 6.191 5.025 ( 0.000 0.275 0.000) 0.275 5.245 ( 0.000 -6.247 0.000) 6.247 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 3.733 1.109 -0.594) 3.939 0.792 ( 1.464 -5.363 -0.167) 5.562 0.945 ( 0.113 -1.756 0.113) 1.764 1.119 ( -1.667 3.622 1.117) 4.141 1.201 ( 0.205 -3.605 -2.532) 4.411 1.266 ( 1.913 5.533 -1.199) 5.976 1.347 ( -4.442 12.563 5.416) 14.383 1.550 ( 0.716 3.082 -2.163) 3.833 1.591 ( 0.467 -1.868 -0.146) 1.931 1.845 ( 1.912 9.743 -2.920) 10.349 1.963 ( -3.214 1.160 1.678) 3.807 2.040 ( 0.632 3.156 0.123) 3.220 2.143 ( -1.711 3.980 3.489) 5.562 2.176 ( 0.648 1.885 -0.776) 2.139 2.206 ( -1.493 -2.603 1.121) 3.204 2.274 ( -0.568 2.781 -1.541) 3.230 2.385 ( 2.643 -1.995 -1.604) 3.680 2.411 ( 0.796 -1.654 1.097) 2.138 2.521 ( 0.135 4.805 -0.290) 4.816 2.689 ( -0.173 6.287 -1.228) 6.408 2.874 ( -0.079 -2.544 -0.835) 2.679 2.902 ( 0.069 -1.632 1.246) 2.055 3.016 ( -1.200 -0.013 -0.724) 1.401 3.067 ( 0.099 -1.184 1.008) 1.559 3.105 ( -0.895 -3.932 1.611) 4.342 3.112 ( -0.809 -2.414 -0.923) 2.708 3.254 ( 0.177 -1.885 0.887) 2.090 3.319 ( 1.689 -2.414 -1.087) 3.140 3.384 ( 0.338 -0.521 -0.340) 0.708 3.473 ( 0.828 -3.929 0.234) 4.022 3.572 ( -0.335 0.986 -0.604) 1.204 3.669 ( 0.326 -1.852 -0.585) 1.970 3.751 ( -0.454 2.121 -0.375) 2.201 3.811 ( -0.509 0.058 1.192) 1.297 4.056 ( -1.231 4.967 0.682) 5.163 4.224 ( 1.185 2.119 -0.702) 2.527 4.442 ( 0.488 -3.655 0.521) 3.724 4.473 ( 0.975 -3.857 -0.932) 4.086 4.639 ( 0.177 0.013 -0.106) 0.207 4.850 ( -5.774 -2.616 3.576) 7.278 5.059 ( 1.380 -1.808 -3.454) 4.135 5.270 ( 1.975 -6.354 0.510) 6.674 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 3.947 -1.464 -1.319) 4.412 0.820 ( 0.761 -4.953 0.676) 5.057 0.956 ( 0.919 -3.383 -0.693) 3.574 1.086 ( -1.668 1.561 1.882) 2.960 1.193 ( -0.576 -0.703 -2.274) 2.449 1.265 ( -2.790 12.022 4.848) 13.260 1.327 ( 3.750 5.347 -3.392) 7.359 1.540 ( -2.647 2.085 0.991) 3.512 1.597 ( 0.972 -1.499 -1.497) 2.331 1.865 ( -1.365 2.552 1.482) 3.252 1.928 ( 1.595 5.504 -3.292) 6.609 2.038 ( -1.362 3.345 1.726) 4.003 2.103 ( -1.010 6.154 1.243) 6.359 2.165 ( -2.256 -0.305 3.030) 3.790 2.199 ( 1.381 1.683 -1.473) 2.628 2.274 ( 0.269 1.416 -2.029) 2.488 2.425 ( 0.357 -1.728 1.228) 2.150 2.431 ( 1.568 -1.484 -0.456) 2.207 2.521 ( -0.066 2.345 -0.557) 2.411 2.689 ( 0.216 6.501 -1.020) 6.585 2.874 ( 0.198 -1.811 -1.476) 2.344 2.897 ( -0.632 -1.738 1.820) 2.595 2.996 ( -0.261 -1.165 -0.461) 1.280 3.059 ( -2.068 -2.715 0.451) 3.442 3.079 ( 0.627 -1.822 0.968) 2.157 3.115 ( 0.056 -2.815 0.032) 2.816 3.278 ( 1.857 -0.719 0.678) 2.104 3.342 ( 0.242 -1.723 -0.356) 1.776 3.386 ( -0.100 0.918 -0.920) 1.303 3.491 ( 0.741 -2.998 0.354) 3.109 3.561 ( -0.593 1.492 -1.057) 1.922 3.674 ( 0.137 -0.959 -0.316) 1.019 3.742 ( -0.303 2.286 -0.317) 2.328 3.798 ( -0.649 0.281 1.138) 1.340 4.031 ( -0.974 5.224 0.552) 5.343 4.251 ( 1.159 1.760 -0.484) 2.163 4.447 ( -0.334 -3.473 0.822) 3.585 4.489 ( 0.677 -5.307 -1.222) 5.488 4.647 ( 0.544 -1.216 -0.222) 1.350 4.745 ( -3.717 -1.046 2.130) 4.410 5.074 ( 0.430 -1.937 -1.653) 2.582 5.310 ( 1.452 -6.111 0.234) 6.285 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 -5.077 -0.000) 5.077 0.819 ( 0.000 -2.671 0.000) 2.671 0.972 ( -0.000 -4.971 0.000) 4.971 1.059 ( 0.000 1.149 -0.000) 1.149 1.187 ( 0.000 1.674 0.000) 1.674 1.236 ( 0.000 11.979 0.000) 11.979 1.396 ( 0.000 5.387 0.000) 5.387 1.480 ( 0.000 -0.071 -0.000) 0.071 1.612 ( 0.000 -0.283 0.000) 0.283 1.842 ( 0.000 0.103 0.000) 0.103 1.977 ( -0.000 8.822 0.000) 8.822 1.993 ( 0.000 2.059 -0.000) 2.059 2.106 ( -0.000 5.796 0.000) 5.796 2.132 ( 0.000 0.046 -0.000) 0.046 2.217 ( 0.000 2.420 0.000) 2.420 2.276 ( 0.000 0.648 0.000) 0.648 2.427 ( 0.000 -1.770 0.000) 1.770 2.448 ( 0.000 -0.998 -0.000) 0.998 2.520 ( 0.000 1.270 0.000) 1.270 2.693 ( 0.000 6.522 0.000) 6.522 2.882 ( -0.000 -4.642 0.000) 4.642 2.883 ( 0.000 1.608 -0.000) 1.608 3.002 ( 0.000 -2.235 -0.000) 2.235 3.027 ( -0.000 -2.363 0.000) 2.363 3.092 ( 0.000 -1.539 -0.000) 1.539 3.112 ( 0.000 -3.153 0.000) 3.153 3.319 ( -0.000 -0.366 -0.000) 0.366 3.325 ( 0.000 -1.217 0.000) 1.217 3.385 ( 0.000 1.746 0.000) 1.746 3.500 ( 0.000 -2.606 -0.000) 2.606 3.553 ( 0.000 1.725 0.000) 1.725 3.675 ( 0.000 -0.566 0.000) 0.566 3.739 ( 0.000 2.287 0.000) 2.287 3.791 ( 0.000 0.454 0.000) 0.454 4.020 ( 0.000 5.204 0.000) 5.204 4.265 ( 0.000 2.017 0.000) 2.017 4.438 ( 0.000 -3.549 0.000) 3.549 4.497 ( 0.000 -5.619 0.000) 5.619 4.655 ( 0.000 -0.744 0.000) 0.744 4.705 ( 0.000 -1.974 0.000) 1.974 5.079 ( 0.000 -2.013 -0.000) 2.013 5.325 ( 0.000 -5.825 0.000) 5.825 ======================= Grid point 35 (21/84) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 1.659 0.000) 1.659 0.677 ( 0.000 -3.944 0.000) 3.944 0.968 ( 0.000 3.288 0.000) 3.288 1.068 ( 0.000 -6.375 0.000) 6.375 1.260 ( 0.000 5.519 0.000) 5.519 1.323 ( 0.000 0.628 0.000) 0.628 1.487 ( 0.000 0.383 0.000) 0.383 1.504 ( 0.000 -2.619 0.000) 2.619 1.765 ( 0.000 12.883 0.000) 12.883 1.950 ( 0.000 -1.877 0.000) 1.877 2.034 ( 0.000 1.430 0.000) 1.430 2.037 ( 0.000 0.865 0.000) 0.865 2.113 ( 0.000 -3.197 0.000) 3.197 2.153 ( 0.000 -3.614 0.000) 3.614 2.252 ( 0.000 4.860 0.000) 4.860 2.323 ( 0.000 0.292 0.000) 0.292 2.350 ( 0.000 0.523 0.000) 0.523 2.355 ( 0.000 -1.956 0.000) 1.956 2.638 ( 0.000 5.168 0.000) 5.168 2.718 ( 0.000 -2.702 0.000) 2.702 2.877 ( 0.000 2.206 0.000) 2.206 2.893 ( 0.000 0.323 0.000) 0.323 3.030 ( 0.000 -1.530 0.000) 1.530 3.036 ( 0.000 -1.543 0.000) 1.543 3.064 ( 0.000 -0.748 0.000) 0.748 3.078 ( 0.000 -1.095 0.000) 1.095 3.229 ( 0.000 -0.496 0.000) 0.496 3.241 ( 0.000 -1.540 0.000) 1.540 3.375 ( 0.000 0.297 0.000) 0.297 3.397 ( 0.000 -2.156 0.000) 2.156 3.594 ( 0.000 1.128 0.000) 1.128 3.623 ( 0.000 -1.820 0.000) 1.820 3.787 ( 0.000 1.189 0.000) 1.189 3.807 ( 0.000 -0.809 0.000) 0.809 4.171 ( 0.000 4.810 0.000) 4.810 4.232 ( 0.000 -0.946 0.000) 0.946 4.408 ( 0.000 -1.201 0.000) 1.201 4.408 ( 0.000 -0.830 0.000) 0.830 4.682 ( 0.000 4.611 0.000) 4.611 4.806 ( 0.000 -7.029 0.000) 7.029 5.053 ( 0.000 2.641 0.000) 2.641 5.130 ( 0.000 -5.107 0.000) 5.107 ======================= Grid point 36 (22/84) ======================= q-point: ( 0.17 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 2.296 0.985 0.074) 2.499 0.697 ( 1.644 -3.753 0.157) 4.101 0.954 ( -1.022 3.026 0.165) 3.199 1.054 ( -1.294 -6.276 -0.395) 6.420 1.253 ( -0.310 5.382 -1.988) 5.746 1.328 ( 0.372 -0.677 -1.345) 1.552 1.478 ( -0.309 2.590 -0.597) 2.676 1.525 ( 1.391 -2.556 -0.608) 2.973 1.721 ( -3.580 10.990 4.352) 12.351 1.900 ( -4.466 -5.761 4.880) 8.772 2.006 ( 0.300 5.021 -0.811) 5.095 2.090 ( 1.641 -1.049 -1.579) 2.507 2.117 ( 0.466 -0.826 0.485) 1.065 2.163 ( 0.430 -1.802 -0.424) 1.901 2.259 ( 0.375 4.531 -0.140) 4.549 2.313 ( -0.448 0.313 -0.690) 0.880 2.352 ( 0.965 -0.472 -1.307) 1.691 2.376 ( 0.929 -2.137 -0.682) 2.428 2.624 ( -1.103 5.127 -0.111) 5.245 2.711 ( -0.465 -3.212 -1.048) 3.410 2.877 ( 0.023 2.554 -0.069) 2.555 2.901 ( 0.489 0.301 0.805) 0.989 3.010 ( -1.587 -0.542 -0.839) 1.875 3.027 ( -1.155 -2.764 -0.148) 2.999 3.058 ( 0.120 0.143 0.695) 0.719 3.077 ( -0.209 -1.490 1.146) 1.891 3.242 ( 1.409 0.602 0.212) 1.547 3.270 ( 2.019 -2.114 -0.205) 2.931 3.385 ( 0.925 0.550 -0.206) 1.095 3.411 ( 1.199 -2.203 0.233) 2.519 3.597 ( 0.272 1.538 -0.530) 1.649 3.631 ( 0.714 -1.894 -0.611) 2.115 3.784 ( -0.237 1.297 0.165) 1.329 3.804 ( -0.285 -0.728 1.023) 1.288 4.163 ( -0.666 5.192 0.051) 5.235 4.233 ( 0.132 -1.542 -0.534) 1.637 4.396 ( -0.376 -0.674 0.234) 0.807 4.417 ( -0.026 -2.248 -0.190) 2.257 4.675 ( -0.554 4.031 -0.016) 4.069 4.773 ( -2.644 -4.967 0.864) 5.693 5.064 ( 0.877 2.399 -0.999) 2.743 5.147 ( 1.476 -5.637 0.288) 5.834 ======================= Grid point 37 (23/84) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 1.473 -0.334 -0.164) 1.519 0.732 ( 1.303 -3.671 0.216) 3.902 0.936 ( -0.558 2.023 0.166) 2.105 1.021 ( -1.504 -5.562 -0.367) 5.773 1.255 ( 0.513 5.038 -1.807) 5.377 1.338 ( 0.643 -2.219 -0.856) 2.463 1.481 ( 0.789 6.076 -2.308) 6.547 1.550 ( 0.635 -1.396 -0.495) 1.612 1.645 ( -3.152 7.471 3.666) 8.899 1.807 ( -3.815 -6.941 5.011) 9.373 2.021 ( 0.836 4.216 -0.997) 4.412 2.101 ( -0.145 -3.608 -0.113) 3.613 2.119 ( -0.553 3.716 0.180) 3.761 2.167 ( -0.100 -0.917 0.503) 1.050 2.265 ( 0.723 4.528 -0.668) 4.634 2.314 ( 0.078 1.601 -0.897) 1.837 2.375 ( 0.866 -2.629 -0.904) 2.912 2.392 ( 0.718 -2.362 -0.614) 2.544 2.602 ( -0.794 5.307 -0.172) 5.368 2.704 ( -0.171 -4.196 -0.999) 4.317 2.878 ( 0.039 3.034 -0.043) 3.035 2.907 ( 0.072 0.422 0.595) 0.733 2.978 ( -1.050 -0.473 -0.646) 1.320 2.999 ( -1.317 -2.650 0.378) 2.983 3.064 ( 0.359 -0.126 0.608) 0.718 3.074 ( -0.054 -1.235 0.729) 1.435 3.280 ( 1.931 0.873 0.156) 2.125 3.307 ( 1.148 -1.643 -0.106) 2.007 3.406 ( 0.888 1.155 -0.265) 1.481 3.438 ( 1.149 -2.183 0.195) 2.475 3.602 ( 0.127 2.384 -0.782) 2.512 3.646 ( 0.578 -1.910 -0.636) 2.094 3.778 ( -0.305 1.346 0.354) 1.425 3.796 ( -0.458 -0.480 1.083) 1.270 4.149 ( -0.588 6.062 -0.027) 6.091 4.241 ( 0.632 -2.779 -0.491) 2.892 4.392 ( -0.208 -1.514 0.711) 1.686 4.406 ( -0.658 -2.750 -0.571) 2.885 4.664 ( -0.279 2.492 -0.000) 2.507 4.716 ( -2.476 -2.161 0.556) 3.333 5.081 ( 0.667 2.897 -0.612) 3.035 5.180 ( 1.354 -6.475 0.134) 6.617 ======================= Grid point 38 (24/84) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 -1.042 -0.000) 1.042 0.746 ( 0.000 -3.968 0.000) 3.968 0.931 ( -0.000 1.419 0.000) 1.419 1.003 ( 0.000 -4.815 -0.000) 4.815 1.263 ( 0.000 4.903 -0.000) 4.903 1.347 ( 0.000 -2.226 0.000) 2.226 1.505 ( -0.000 4.902 0.000) 4.902 1.538 ( 0.000 5.189 -0.000) 5.189 1.615 ( 0.000 2.379 -0.000) 2.379 1.764 ( 0.000 -7.677 0.000) 7.677 2.032 ( 0.000 3.067 0.000) 3.067 2.096 ( 0.000 -1.846 0.000) 1.846 2.110 ( -0.000 3.441 0.000) 3.441 2.163 ( 0.000 -0.630 0.000) 0.630 2.283 ( -0.000 3.965 0.000) 3.965 2.309 ( 0.000 2.252 -0.000) 2.252 2.383 ( 0.000 -2.384 0.000) 2.384 2.401 ( 0.000 -3.207 -0.000) 3.207 2.594 ( 0.000 5.470 0.000) 5.470 2.702 ( 0.000 -4.644 0.000) 4.644 2.879 ( 0.000 3.171 0.000) 3.171 2.907 ( 0.000 0.573 0.000) 0.573 2.969 ( 0.000 -0.994 -0.000) 0.994 2.982 ( -0.000 -2.190 0.000) 2.190 3.071 ( 0.000 -0.548 0.000) 0.548 3.072 ( -0.000 -0.860 -0.000) 0.860 3.310 ( -0.000 -0.222 -0.000) 0.222 3.313 ( 0.000 -0.333 0.000) 0.333 3.416 ( 0.000 1.553 0.000) 1.553 3.452 ( 0.000 -2.124 0.000) 2.124 3.602 ( 0.000 2.914 0.000) 2.914 3.652 ( 0.000 -1.894 0.000) 1.894 3.774 ( 0.000 1.271 0.000) 1.271 3.791 ( 0.000 -0.418 0.000) 0.418 4.142 ( 0.000 6.574 0.000) 6.574 4.251 ( 0.000 -3.621 0.000) 3.621 4.384 ( 0.000 -1.268 0.000) 1.268 4.402 ( 0.000 -3.177 0.000) 3.177 4.666 ( 0.000 1.125 0.000) 1.125 4.683 ( 0.000 -0.664 0.000) 0.664 5.089 ( 0.000 3.246 0.000) 3.246 5.196 ( 0.000 -6.767 0.000) 6.767 ======================= Grid point 77 (25/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 3.714 0.000 8.822) 9.572 0.298 ( -6.822 0.000 16.002) 17.395 0.378 ( -8.872 0.000 18.115) 20.171 0.621 ( -4.418 0.000 -6.054) 7.495 0.862 ( 5.797 0.000 -12.811) 14.062 0.941 ( 0.889 0.000 1.403) 1.661 1.323 ( 1.605 0.000 -2.486) 2.959 1.373 ( -4.417 0.000 8.971) 9.999 1.377 ( 7.196 0.000 -8.276) 10.967 1.585 ( -2.540 0.000 -0.417) 2.574 1.632 ( 0.269 0.000 -1.490) 1.514 1.652 ( 1.519 0.000 -2.079) 2.575 1.662 ( 0.243 0.000 -0.379) 0.450 1.719 ( 1.890 0.000 -1.714) 2.551 2.046 ( -7.568 0.000 9.965) 12.513 2.227 ( -0.151 0.000 0.333) 0.366 2.274 ( 0.042 0.000 -0.130) 0.137 2.434 ( 4.664 0.000 -1.947) 5.055 2.493 ( -0.461 0.000 -0.357) 0.583 2.559 ( -2.297 0.000 -1.222) 2.602 3.046 ( 4.536 0.000 -3.037) 5.459 3.175 ( 1.267 0.000 2.044) 2.405 3.201 ( -0.030 0.000 0.000) 0.030 3.255 ( -0.801 0.000 -1.138) 1.392 3.316 ( 0.011 0.000 0.036) 0.037 3.321 ( 3.809 0.000 4.551) 5.935 3.361 ( 0.052 0.000 0.020) 0.056 3.369 ( -1.967 0.000 1.280) 2.347 3.416 ( -0.037 0.000 -0.063) 0.073 3.508 ( -2.100 0.000 0.343) 2.127 3.618 ( -2.766 0.000 -5.372) 6.042 3.692 ( -1.142 0.000 1.631) 1.991 3.802 ( -1.104 0.000 -0.834) 1.383 3.919 ( 0.000 0.000 0.017) 0.017 3.974 ( -0.092 0.000 0.832) 0.837 4.034 ( -0.000 0.000 -0.008) 0.008 4.284 ( -18.389 0.000 -0.190) 18.390 4.337 ( 1.038 0.000 -0.914) 1.383 4.776 ( -4.344 0.000 2.013) 4.788 4.949 ( 12.948 0.000 -1.079) 12.993 5.583 ( 0.969 0.000 0.872) 1.303 5.685 ( -11.991 0.000 -0.783) 12.017 ======================= Grid point 78 (26/84) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( -7.207 0.000 14.658) 16.334 0.270 ( 3.828 0.000 8.941) 9.726 0.487 ( 16.198 0.000 4.471) 16.803 0.638 ( 5.156 0.000 -8.961) 10.338 0.955 ( -0.444 0.000 2.554) 2.593 0.991 ( 6.584 0.000 -9.932) 11.917 1.271 ( -5.445 0.000 7.896) 9.591 1.343 ( 0.330 0.000 -0.350) 0.481 1.468 ( -1.912 0.000 0.779) 2.065 1.557 ( 4.165 0.000 -5.651) 7.020 1.614 ( -1.505 0.000 -0.591) 1.617 1.651 ( -0.675 0.000 -0.100) 0.682 1.686 ( 0.766 0.000 -1.024) 1.279 1.773 ( 0.171 0.000 -1.618) 1.627 1.902 ( -3.417 0.000 5.839) 6.765 2.227 ( 0.159 0.000 0.202) 0.257 2.276 ( 0.191 0.000 -0.091) 0.211 2.405 ( -4.243 0.000 0.825) 4.322 2.498 ( -0.413 0.000 0.238) 0.477 2.560 ( 2.157 0.000 -3.753) 4.329 3.085 ( -2.391 0.000 -0.759) 2.508 3.181 ( -5.345 0.000 5.906) 7.965 3.202 ( 0.100 0.000 -0.030) 0.104 3.213 ( 2.534 0.000 -2.718) 3.716 3.261 ( -2.600 0.000 2.893) 3.890 3.316 ( -0.049 0.000 0.109) 0.120 3.364 ( 0.164 0.000 -0.049) 0.171 3.415 ( -0.016 0.000 -0.039) 0.042 3.416 ( 1.884 0.000 1.135) 2.200 3.450 ( -0.521 0.000 3.704) 3.740 3.572 ( -2.118 0.000 -8.557) 8.815 3.670 ( -1.380 0.000 2.132) 2.540 3.780 ( 0.485 0.000 -1.765) 1.830 3.918 ( -0.045 0.000 0.014) 0.047 3.924 ( -4.451 0.000 4.874) 6.601 3.979 ( -2.767 0.000 2.242) 3.561 4.033 ( -0.077 0.000 -0.007) 0.078 4.357 ( 0.961 0.000 1.156) 1.503 4.818 ( 7.316 0.000 -2.647) 7.780 5.177 ( -0.594 0.000 5.103) 5.138 5.482 ( 1.023 0.000 -2.237) 2.460 5.613 ( -0.188 0.000 3.031) 3.037 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( 11.089 0.000 -19.878) 22.762 0.405 ( 7.399 0.000 -1.323) 7.516 0.760 ( 6.695 0.000 -7.327) 9.925 0.805 ( 11.205 0.000 2.509) 11.483 0.939 ( -0.815 0.000 1.585) 1.783 1.074 ( -2.685 0.000 6.833) 7.342 1.200 ( 2.603 0.000 -6.747) 7.231 1.332 ( -1.453 0.000 3.203) 3.517 1.411 ( -2.888 0.000 3.375) 4.442 1.577 ( -1.824 0.000 -0.119) 1.828 1.605 ( -0.986 0.000 -0.058) 0.987 1.635 ( -0.707 0.000 0.118) 0.717 1.682 ( -4.366 0.000 6.744) 8.033 1.686 ( -0.636 0.000 0.868) 1.076 1.964 ( 5.502 0.000 -9.723) 11.172 2.233 ( 0.320 0.000 -0.050) 0.324 2.280 ( 0.146 0.000 -0.021) 0.147 2.332 ( -2.498 0.000 0.164) 2.503 2.487 ( -0.088 0.000 0.053) 0.103 2.593 ( 0.766 0.000 -3.321) 3.408 3.032 ( -2.069 0.000 1.405) 2.501 3.103 ( -2.748 0.000 5.735) 6.360 3.205 ( 0.126 0.000 -0.093) 0.156 3.213 ( -1.523 0.000 1.166) 1.918 3.280 ( 2.746 0.000 -1.096) 2.957 3.314 ( -0.067 0.000 0.246) 0.255 3.358 ( -5.629 0.000 -0.247) 5.634 3.367 ( 0.114 0.000 -0.179) 0.212 3.415 ( 0.026 0.000 0.015) 0.030 3.426 ( -0.813 0.000 0.905) 1.217 3.537 ( -1.011 0.000 -0.633) 1.193 3.643 ( -1.067 0.000 1.912) 2.190 3.807 ( 0.092 0.000 -0.984) 0.988 3.917 ( 1.867 0.000 -0.730) 2.004 3.917 ( -0.046 0.000 0.008) 0.046 3.963 ( 1.593 0.000 -7.208) 7.382 4.031 ( -0.078 0.000 -0.004) 0.078 4.378 ( 0.901 0.000 1.547) 1.790 4.975 ( 6.026 0.000 -4.428) 7.478 5.111 ( -2.775 0.000 9.434) 9.833 5.523 ( 1.130 0.000 -0.944) 1.473 5.605 ( -0.820 0.000 0.405) 0.914 ======================= Grid point 80 (28/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 10.764 0.000 -22.752) 25.170 0.548 ( 6.077 0.000 -7.271) 9.476 0.815 ( -2.583 0.000 -3.288) 4.181 0.930 ( -9.019 0.000 11.342) 14.491 0.943 ( 1.033 0.000 1.397) 1.738 0.957 ( 3.244 0.000 -2.744) 4.249 1.284 ( -3.047 0.000 6.680) 7.342 1.321 ( 6.692 0.000 -8.825) 11.075 1.336 ( -5.043 0.000 10.689) 11.819 1.544 ( -1.295 0.000 1.387) 1.898 1.545 ( -1.969 0.000 0.781) 2.118 1.626 ( -0.147 0.000 0.147) 0.208 1.661 ( 0.850 0.000 1.647) 1.854 1.667 ( -1.070 0.000 1.853) 2.140 2.059 ( 3.658 0.000 -9.002) 9.717 2.238 ( 0.150 0.000 -0.176) 0.232 2.281 ( -0.049 0.000 0.023) 0.054 2.305 ( -0.048 0.000 0.006) 0.048 2.499 ( 0.857 0.000 -0.745) 1.135 2.592 ( -0.526 0.000 -2.945) 2.992 3.005 ( -0.383 0.000 0.765) 0.856 3.065 ( -0.842 0.000 5.471) 5.536 3.190 ( -0.452 0.000 1.832) 1.887 3.206 ( 0.034 0.000 -0.127) 0.131 3.277 ( -1.666 0.000 0.592) 1.768 3.313 ( -0.024 0.000 0.313) 0.314 3.341 ( 2.349 0.000 -0.893) 2.513 3.368 ( -0.045 0.000 -0.239) 0.243 3.398 ( -1.142 0.000 -0.983) 1.507 3.416 ( 0.039 0.000 0.042) 0.057 3.518 ( -0.850 0.000 2.310) 2.462 3.633 ( 0.157 0.000 1.707) 1.714 3.806 ( 0.337 0.000 -0.615) 0.702 3.915 ( -0.873 0.000 -0.024) 0.873 3.917 ( -0.001 0.000 0.004) 0.005 4.030 ( 0.000 0.000 -0.003) 0.003 4.044 ( 4.439 0.000 -11.163) 12.014 4.393 ( 0.355 0.000 1.567) 1.606 4.992 ( -2.985 0.000 0.266) 2.996 5.148 ( 4.800 0.000 4.485) 6.569 5.513 ( -3.045 0.000 -0.021) 3.045 5.594 ( 0.916 0.000 0.174) 0.932 ======================= Grid point 81 (29/84) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -2.998 0.000 -8.594) 9.102 0.643 ( 1.511 0.000 -7.282) 7.437 0.721 ( -3.158 0.000 -9.334) 9.854 0.738 ( -7.532 0.000 8.047) 11.022 0.881 ( -4.044 0.000 -2.009) 4.516 0.984 ( -3.086 0.000 2.220) 3.801 1.226 ( -2.166 0.000 7.569) 7.873 1.249 ( -1.019 0.000 6.799) 6.875 1.442 ( 4.206 0.000 -4.196) 5.941 1.525 ( -0.105 0.000 2.124) 2.127 1.541 ( 0.977 0.000 -2.097) 2.313 1.630 ( 0.460 0.000 0.330) 0.566 1.651 ( -0.269 0.000 0.719) 0.768 1.692 ( 1.556 0.000 1.386) 2.083 2.122 ( 2.826 0.000 -5.801) 6.453 2.238 ( -0.172 0.000 -0.046) 0.178 2.279 ( -0.185 0.000 -0.022) 0.187 2.323 ( 1.301 0.000 0.347) 1.346 2.496 ( -1.288 0.000 0.647) 1.442 2.583 ( 0.120 0.000 -4.113) 4.115 3.010 ( 0.437 0.000 2.363) 2.403 3.077 ( 1.452 0.000 5.129) 5.331 3.206 ( -0.092 0.000 -0.095) 0.132 3.206 ( 1.988 0.000 1.676) 2.600 3.263 ( -0.244 0.000 0.129) 0.276 3.314 ( 0.046 0.000 0.252) 0.256 3.358 ( 0.733 0.000 -3.244) 3.326 3.365 ( -0.160 0.000 -0.180) 0.241 3.417 ( 0.012 0.000 0.013) 0.017 3.426 ( 2.833 0.000 1.855) 3.386 3.512 ( 0.780 0.000 -0.591) 0.979 3.650 ( 1.324 0.000 1.702) 2.156 3.821 ( 0.886 0.000 -2.377) 2.537 3.903 ( 0.151 0.000 0.952) 0.963 3.917 ( 0.045 0.000 0.008) 0.046 4.031 ( 0.078 0.000 -0.004) 0.078 4.125 ( 3.942 0.000 -8.371) 9.253 4.391 ( -0.665 0.000 1.731) 1.855 4.906 ( -5.147 0.000 0.026) 5.147 5.253 ( 3.202 0.000 8.747) 9.315 5.414 ( -4.051 0.000 -3.952) 5.660 5.639 ( 2.922 0.000 0.371) 2.946 ======================= Grid point 82 (30/84) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -13.912 0.000 1.773) 14.025 0.487 ( -10.445 0.000 13.190) 16.825 0.572 ( -9.842 0.000 3.534) 10.457 0.760 ( 4.372 0.000 -12.623) 13.359 0.790 ( -8.960 0.000 1.762) 9.132 0.928 ( 1.003 0.000 -2.924) 3.091 1.242 ( 3.985 0.000 -3.437) 5.263 1.285 ( 2.742 0.000 -0.025) 2.742 1.447 ( -2.643 0.000 7.385) 7.843 1.572 ( 1.878 0.000 -1.499) 2.402 1.578 ( 3.828 0.000 -4.720) 6.077 1.639 ( 0.357 0.000 0.468) 0.588 1.656 ( 0.494 0.000 -0.646) 0.813 1.712 ( 0.209 0.000 0.406) 0.456 2.151 ( -1.436 0.000 2.200) 2.628 2.232 ( -0.314 0.000 0.213) 0.380 2.275 ( -0.139 0.000 -0.106) 0.174 2.350 ( 1.995 0.000 -0.236) 2.009 2.479 ( 0.457 0.000 -0.467) 0.654 2.588 ( -0.042 0.000 -2.816) 2.816 3.011 ( -0.325 0.000 3.126) 3.143 3.122 ( 2.835 0.000 2.561) 3.820 3.203 ( -0.130 0.000 -0.031) 0.134 3.255 ( 0.917 0.000 1.174) 1.489 3.267 ( 1.756 0.000 1.242) 2.151 3.315 ( 0.064 0.000 0.112) 0.129 3.362 ( -0.113 0.000 -0.052) 0.124 3.377 ( 0.363 0.000 0.123) 0.383 3.417 ( -0.022 0.000 -0.038) 0.044 3.484 ( 2.433 0.000 1.171) 2.700 3.574 ( 4.776 0.000 -5.506) 7.289 3.686 ( 1.675 0.000 1.505) 2.252 3.825 ( -0.545 0.000 -2.928) 2.978 3.918 ( 0.045 0.000 0.014) 0.047 3.938 ( 2.816 0.000 1.760) 3.321 4.033 ( 0.077 0.000 -0.007) 0.077 4.231 ( 7.175 0.000 -4.468) 8.453 4.373 ( -0.632 0.000 1.431) 1.564 4.786 ( -5.123 0.000 -0.590) 5.157 5.138 ( -12.005 0.000 5.319) 13.131 5.485 ( 7.196 0.000 -1.463) 7.343 5.715 ( 4.221 0.000 0.088) 4.222 ======================= Grid point 83 (31/84) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 1.973 8.432 6.987) 11.127 0.359 ( -1.491 12.488 4.566) 13.380 0.622 ( -2.115 8.275 -3.542) 9.246 0.718 ( -4.044 12.748 2.270) 13.565 0.837 ( -0.165 3.831 -2.297) 4.470 1.053 ( 1.669 5.827 0.613) 6.092 1.272 ( -0.482 -3.799 0.685) 3.890 1.379 ( 0.246 1.303 1.997) 2.397 1.464 ( 1.067 5.470 -2.654) 6.173 1.544 ( -0.978 0.477 0.606) 1.246 1.619 ( 3.935 -0.877 -4.122) 5.766 1.730 ( 2.329 6.296 -4.706) 8.198 1.743 ( -0.734 6.223 0.933) 6.335 1.793 ( 0.941 7.165 -0.432) 7.239 2.071 ( -6.850 2.744 9.355) 11.915 2.255 ( -0.162 1.332 -2.079) 2.474 2.315 ( -0.410 2.402 -0.069) 2.437 2.415 ( 2.238 -1.975 -0.270) 2.997 2.463 ( 1.681 -1.241 -2.706) 3.419 2.534 ( -1.527 -2.281 -1.390) 3.077 2.966 ( 0.754 -3.501 0.403) 3.604 3.095 ( 1.205 -4.080 0.974) 4.364 3.216 ( -1.734 -2.369 -0.754) 3.032 3.247 ( 0.828 -2.003 2.024) 2.965 3.273 ( -0.276 -3.092 0.776) 3.200 3.287 ( -0.556 0.375 -0.964) 1.175 3.329 ( 0.616 -1.886 1.192) 2.315 3.375 ( 0.826 -0.297 1.689) 1.904 3.476 ( 0.401 2.422 1.210) 2.737 3.554 ( 0.835 2.035 -0.606) 2.281 3.604 ( -0.337 -0.338 -3.088) 3.125 3.695 ( -0.548 -0.060 0.614) 0.825 3.786 ( -1.258 -1.099 -0.085) 1.673 3.844 ( 1.103 -3.616 -0.559) 3.821 3.973 ( -1.186 -0.610 0.986) 1.659 4.093 ( 0.298 3.280 -0.409) 3.319 4.393 ( 0.776 6.062 0.382) 6.124 4.590 ( -6.566 10.932 -13.024) 18.228 4.768 ( -9.092 -0.200 1.096) 9.160 4.917 ( 16.219 -2.373 -3.229) 16.707 5.497 ( -8.387 -12.330 7.725) 16.794 5.546 ( 0.246 -3.488 0.380) 3.517 ======================= Grid point 84 (32/84) ======================= q-point: ( 0.17 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 1.824 15.395 -1.361) 15.562 0.442 ( 6.764 7.780 6.534) 12.205 0.657 ( 5.975 10.591 1.316) 12.231 0.688 ( 4.039 11.858 -3.979) 13.144 0.883 ( 2.635 -1.266 -3.672) 4.693 1.110 ( 2.809 5.089 -1.514) 6.007 1.248 ( -1.741 -2.991 4.388) 5.589 1.332 ( -2.276 0.076 2.372) 3.288 1.487 ( -2.019 2.690 0.320) 3.379 1.536 ( 1.682 -0.620 -2.310) 2.924 1.679 ( 1.096 3.315 -1.740) 3.901 1.724 ( -0.726 6.659 -0.725) 6.737 1.776 ( 1.226 9.289 -3.115) 9.874 1.808 ( -0.057 4.292 -1.504) 4.548 1.938 ( -3.830 3.525 6.369) 8.225 2.251 ( -0.113 0.391 -2.127) 2.165 2.297 ( -1.186 1.737 0.224) 2.115 2.404 ( -1.757 0.155 0.767) 1.924 2.490 ( -0.417 -0.723 0.491) 0.968 2.539 ( 2.238 -1.745 -3.618) 4.599 2.988 ( 1.074 -3.607 -0.227) 3.770 3.110 ( -1.763 -4.997 5.897) 7.928 3.170 ( -0.245 -2.090 -2.163) 3.018 3.234 ( -0.886 -2.011 1.018) 2.422 3.271 ( -0.474 2.376 -0.910) 2.588 3.307 ( 1.658 -5.584 -0.525) 5.849 3.335 ( -0.071 0.239 1.461) 1.483 3.407 ( 1.480 -2.153 0.297) 2.630 3.462 ( -2.830 0.787 1.108) 3.139 3.507 ( -4.110 3.554 0.041) 5.434 3.565 ( -2.514 0.622 -3.102) 4.041 3.677 ( -0.992 1.135 1.536) 2.151 3.768 ( 0.360 -1.062 -1.347) 1.753 3.843 ( -0.983 -3.230 1.166) 3.572 3.948 ( -0.751 -0.235 -1.062) 1.322 4.093 ( -0.261 3.331 -0.492) 3.377 4.286 ( -11.959 20.631 -3.830) 24.152 4.410 ( 0.239 5.051 1.426) 5.254 4.786 ( 7.040 -3.101 -2.853) 8.205 5.154 ( -1.156 -2.196 5.210) 5.771 5.348 ( 2.742 -11.270 -1.042) 11.645 5.576 ( 0.369 -3.460 2.260) 4.149 ======================= Grid point 85 (33/84) ======================= q-point: ( 0.33 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 2.759 14.267 -4.835) 15.315 0.613 ( 9.021 12.195 -2.406) 15.358 0.802 ( 6.283 3.102 -5.692) 9.027 0.842 ( 7.835 6.897 -1.028) 10.489 0.919 ( 0.700 -0.155 -0.352) 0.799 1.089 ( -5.266 0.331 8.976) 10.412 1.266 ( 4.031 3.495 -7.242) 8.995 1.307 ( -0.737 -1.521 2.283) 2.840 1.435 ( -2.269 2.493 1.120) 3.552 1.556 ( 0.117 -0.725 -0.584) 0.938 1.658 ( -3.032 4.527 5.465) 7.717 1.715 ( -1.027 5.522 -0.604) 5.649 1.733 ( -3.686 4.811 5.379) 8.103 1.769 ( -1.246 10.120 0.998) 10.245 1.988 ( 5.297 2.475 -9.202) 10.902 2.249 ( -0.086 -0.526 -1.619) 1.705 2.269 ( -1.183 0.588 -0.284) 1.351 2.378 ( -0.597 3.784 0.692) 3.892 2.484 ( 0.039 -0.276 0.357) 0.453 2.570 ( 0.731 -1.966 -2.586) 3.329 3.003 ( 0.017 -1.967 0.524) 2.036 3.050 ( -2.582 -3.459 6.169) 7.530 3.175 ( -0.527 -2.563 -0.669) 2.701 3.233 ( 0.634 -1.190 0.682) 1.511 3.268 ( -0.093 0.623 -0.848) 1.057 3.306 ( -2.052 -3.725 -2.866) 5.128 3.330 ( -0.449 0.134 1.047) 1.147 3.379 ( -1.048 -1.497 -0.851) 2.016 3.429 ( -0.204 -2.439 1.443) 2.841 3.450 ( -1.702 4.278 0.668) 4.652 3.518 ( -1.703 1.336 -0.178) 2.172 3.653 ( -1.189 1.117 2.576) 3.049 3.783 ( 0.186 -1.775 -0.289) 1.808 3.830 ( 0.152 -3.667 -0.021) 3.670 3.942 ( 0.071 -0.804 -2.978) 3.085 4.086 ( -0.308 3.379 -0.571) 3.440 4.151 ( -1.833 15.020 -4.442) 15.769 4.421 ( 0.579 4.159 1.453) 4.443 4.932 ( 5.302 -4.261 -4.422) 8.113 5.077 ( -2.719 -3.349 8.933) 9.920 5.443 ( 3.909 -8.042 -1.817) 9.125 5.561 ( -1.961 -3.366 1.080) 4.042 ======================= Grid point 86 (34/84) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 5.109 7.242 -10.634) 13.843 0.781 ( 4.634 13.065 -5.973) 15.095 0.855 ( -1.466 4.717 -3.284) 5.932 0.885 ( -5.172 -1.322 4.149) 6.761 0.946 ( 0.487 1.017 -1.236) 1.673 1.014 ( 2.573 2.887 1.913) 4.315 1.281 ( -1.999 0.075 4.961) 5.350 1.353 ( 2.513 0.315 -4.016) 4.748 1.410 ( 0.673 6.178 -0.836) 6.270 1.524 ( -3.766 3.416 4.347) 6.690 1.591 ( -1.276 1.747 5.017) 5.464 1.684 ( -0.929 2.857 2.006) 3.612 1.714 ( -0.031 5.184 -0.196) 5.188 1.740 ( -1.085 9.784 2.169) 10.080 2.080 ( 3.613 2.243 -8.575) 9.572 2.251 ( 0.620 -1.211 -0.852) 1.606 2.256 ( -0.151 1.083 -1.082) 1.538 2.372 ( -0.116 4.784 0.501) 4.811 2.492 ( 0.395 -0.552 0.067) 0.682 2.572 ( -0.350 -1.826 -2.379) 3.020 2.976 ( -1.808 -2.794 3.816) 5.064 3.038 ( 0.891 -1.139 1.953) 2.430 3.161 ( -0.442 -2.006 0.590) 2.137 3.234 ( -0.781 -3.537 -0.290) 3.634 3.244 ( 0.254 1.083 -1.314) 1.722 3.314 ( 0.011 -0.463 0.647) 0.796 3.322 ( 0.903 -0.542 -1.310) 1.681 3.373 ( -0.612 -1.994 0.274) 2.103 3.410 ( -0.456 -1.203 1.594) 2.049 3.445 ( 0.467 2.829 -0.076) 2.868 3.494 ( -0.278 1.462 0.332) 1.525 3.636 ( -0.388 0.614 2.480) 2.585 3.781 ( -0.010 -1.651 0.405) 1.700 3.835 ( 0.040 -4.291 -0.549) 4.326 3.944 ( 0.248 -0.572 -2.274) 2.358 4.080 ( -0.215 3.481 -0.618) 3.542 4.164 ( 2.578 10.499 -6.368) 12.547 4.431 ( 0.193 3.639 1.494) 3.939 4.949 ( -2.604 -4.299 -0.655) 5.069 5.105 ( 4.052 -4.284 4.407) 7.361 5.489 ( -4.858 -4.188 0.055) 6.415 5.517 ( 3.369 -5.245 0.106) 6.234 ======================= Grid point 87 (35/84) ======================= q-point: (-0.33 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 1.711 2.650 -9.887) 10.378 0.662 ( -11.928 -0.270 5.048) 12.955 0.714 ( -5.423 4.173 -0.129) 6.844 0.882 ( -5.444 2.952 -2.666) 6.743 0.963 ( 5.014 10.824 -7.388) 14.032 1.084 ( 0.823 6.617 0.222) 6.672 1.243 ( -0.856 2.464 3.205) 4.132 1.303 ( -4.596 6.669 9.582) 12.546 1.442 ( 1.648 -2.877 -3.385) 4.738 1.529 ( 3.659 5.380 -2.868) 7.111 1.576 ( -1.080 -0.006 3.984) 4.128 1.653 ( -1.384 2.625 1.551) 3.349 1.726 ( 1.037 5.880 -0.575) 5.999 1.743 ( 1.048 7.063 1.395) 7.276 2.142 ( 2.648 1.982 -5.413) 6.344 2.254 ( 0.071 1.676 -1.318) 2.133 2.278 ( 1.637 -0.499 -0.671) 1.838 2.368 ( -0.385 4.079 1.084) 4.238 2.482 ( -1.503 -1.090 1.121) 2.169 2.562 ( -0.306 -1.931 -3.341) 3.871 2.952 ( -0.470 -3.989 2.874) 4.939 3.072 ( 1.570 -0.424 4.075) 4.388 3.165 ( 0.984 -2.004 -0.090) 2.235 3.236 ( 0.241 -1.584 1.326) 2.080 3.259 ( 1.307 -0.092 -2.333) 2.675 3.296 ( -0.736 -1.476 -0.886) 1.873 3.344 ( 0.388 -2.238 -1.251) 2.593 3.359 ( -0.200 -0.531 0.078) 0.573 3.418 ( 0.928 -0.749 1.429) 1.861 3.469 ( 1.957 3.551 0.449) 4.079 3.511 ( 1.739 2.320 -0.198) 2.907 3.641 ( 0.800 -0.537 1.844) 2.081 3.787 ( 0.486 -1.973 -0.507) 2.094 3.831 ( -0.349 -3.830 -0.053) 3.846 3.955 ( 0.946 -0.231 -1.371) 1.682 4.078 ( 0.093 3.424 -0.389) 3.447 4.242 ( 5.202 10.092 -6.018) 12.851 4.431 ( 0.024 3.845 1.520) 4.135 4.869 ( -4.837 -3.628 -0.589) 6.074 5.191 ( 2.057 -6.132 7.534) 9.930 5.373 ( -4.229 -4.115 -3.536) 6.880 5.585 ( 2.892 -4.587 0.832) 5.486 ======================= Grid point 88 (36/84) ======================= q-point: (-0.17 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -11.307 4.068 3.951) 12.649 0.467 ( -7.489 4.640 5.921) 10.615 0.697 ( 0.842 5.077 -8.436) 9.882 0.743 ( -5.339 2.458 -6.227) 8.562 0.962 ( -7.659 13.997 8.370) 18.018 1.041 ( -0.307 7.226 1.334) 7.354 1.266 ( 1.119 0.359 -0.938) 1.504 1.296 ( 4.404 4.593 -4.550) 7.823 1.491 ( 1.234 -1.396 -1.141) 2.185 1.527 ( -0.982 4.148 5.411) 6.888 1.582 ( 0.286 -2.462 0.408) 2.512 1.674 ( 3.029 4.852 -5.034) 7.620 1.745 ( 0.520 6.054 0.196) 6.079 1.769 ( 1.233 6.770 0.734) 6.920 2.167 ( -1.422 1.730 2.244) 3.170 2.258 ( 0.137 2.182 -1.645) 2.736 2.307 ( 1.125 0.804 -0.713) 1.556 2.362 ( 0.621 2.225 0.641) 2.398 2.454 ( -0.446 -1.834 -0.498) 1.953 2.556 ( -0.373 -2.763 -2.617) 3.824 2.955 ( 0.416 -4.058 1.662) 4.405 3.086 ( -0.141 -1.710 3.073) 3.519 3.199 ( 1.993 -1.628 0.917) 2.732 3.236 ( -0.043 -1.500 -0.039) 1.501 3.279 ( 0.672 -0.229 -1.121) 1.327 3.295 ( -0.033 -2.468 0.340) 2.491 3.330 ( -0.878 -3.218 -0.908) 3.457 3.369 ( 0.207 0.284 1.452) 1.494 3.451 ( 1.894 1.343 0.428) 2.361 3.517 ( 2.226 2.765 -0.099) 3.551 3.566 ( 3.202 1.347 -1.815) 3.919 3.674 ( 2.085 -1.148 1.002) 2.582 3.796 ( 0.315 -1.503 -1.092) 1.884 3.825 ( 0.042 -3.848 0.509) 3.881 3.977 ( 0.790 -0.580 -0.253) 1.012 4.084 ( 0.454 3.326 -0.339) 3.374 4.360 ( 3.542 7.573 -2.454) 8.713 4.488 ( 9.057 10.344 -3.750) 14.251 4.753 ( -5.159 -3.113 -1.097) 6.124 5.076 ( -11.259 -6.077 5.309) 13.852 5.422 ( 6.226 -5.797 -1.490) 8.636 5.625 ( 0.021 -6.753 1.960) 7.031 ======================= Grid point 89 (37/84) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.148 7.195 5.264) 8.916 0.668 ( 2.614 16.709 -3.650) 17.301 0.735 ( -1.553 4.654 -8.118) 9.486 0.858 ( 2.858 6.340 -6.616) 9.599 1.092 ( 0.267 1.473 3.173) 3.509 1.117 ( -2.670 6.459 4.185) 8.147 1.242 ( -4.206 7.917 7.452) 11.658 1.380 ( -1.975 -1.248 4.552) 5.117 1.530 ( 0.417 0.895 -0.387) 1.060 1.597 ( -1.330 2.769 2.447) 3.927 1.710 ( 6.054 10.398 -9.882) 15.570 1.834 ( 2.845 4.962 -4.678) 7.389 1.871 ( -0.217 6.665 0.752) 6.711 2.000 ( 1.601 10.969 -3.044) 11.496 2.150 ( -5.392 4.856 7.745) 10.613 2.266 ( -1.054 -0.659 0.702) 1.428 2.355 ( -0.603 2.224 -1.559) 2.782 2.386 ( 0.357 0.551 0.603) 0.892 2.452 ( 2.614 -0.342 -2.469) 3.612 2.483 ( -0.520 -2.514 -1.307) 2.880 2.933 ( 1.505 -0.354 -1.339) 2.046 3.025 ( -0.767 -2.915 1.692) 3.457 3.148 ( -2.011 -5.827 1.052) 6.253 3.173 ( 0.070 -3.528 -2.081) 4.096 3.199 ( -0.061 -2.834 2.539) 3.805 3.278 ( 2.179 -3.108 0.154) 3.799 3.306 ( 0.037 0.067 -0.959) 0.963 3.372 ( -0.439 -0.248 1.516) 1.597 3.488 ( 0.380 -1.636 0.688) 1.815 3.564 ( -0.598 -0.205 0.631) 0.893 3.631 ( -0.131 2.494 -1.703) 3.023 3.660 ( 0.296 -3.322 -0.460) 3.367 3.770 ( -0.457 -1.855 -0.218) 1.923 3.805 ( 0.536 0.518 1.303) 1.501 3.965 ( -0.133 0.078 -0.233) 0.279 4.131 ( 0.113 1.073 -0.431) 1.162 4.525 ( 1.019 5.969 1.028) 6.142 4.618 ( 0.237 -3.578 -2.602) 4.431 4.716 ( -7.693 -6.092 2.465) 10.118 4.912 ( 11.068 1.047 -8.790) 14.172 5.295 ( -6.486 -8.177 6.590) 12.344 5.460 ( 0.530 -5.037 -0.541) 5.093 ======================= Grid point 90 (38/84) ======================= q-point: ( 0.17 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 7.424 5.035 2.963) 9.447 0.711 ( 1.128 15.752 -2.736) 16.028 0.756 ( 3.791 5.641 -6.619) 9.487 0.916 ( 2.078 4.205 -3.817) 6.047 1.057 ( -0.209 13.909 1.812) 14.028 1.136 ( 1.101 -2.368 1.779) 3.159 1.205 ( 0.012 3.757 4.655) 5.982 1.336 ( -1.681 -0.315 2.583) 3.098 1.535 ( -0.283 -0.076 1.167) 1.203 1.561 ( -1.432 4.230 -0.477) 4.491 1.788 ( 0.909 7.831 -1.314) 7.992 1.845 ( -1.002 4.971 -1.255) 5.224 1.920 ( 4.268 8.052 -7.675) 11.914 2.023 ( -0.259 10.308 0.056) 10.312 2.031 ( -4.310 7.376 5.868) 10.364 2.237 ( -1.439 -1.109 0.514) 1.888 2.325 ( -1.682 1.389 -1.970) 2.939 2.421 ( 2.104 1.458 0.379) 2.588 2.471 ( -0.126 -0.943 0.324) 1.005 2.508 ( 1.934 -1.230 -1.662) 2.832 2.955 ( 0.834 -0.494 -1.079) 1.450 3.025 ( -0.500 -3.484 3.809) 5.187 3.110 ( -0.474 -4.341 -0.648) 4.415 3.174 ( -0.007 -4.012 -1.344) 4.231 3.195 ( -0.320 -3.728 1.491) 4.028 3.301 ( -0.476 -0.145 -1.125) 1.230 3.317 ( 1.105 -3.080 -0.225) 3.280 3.356 ( -1.275 -1.493 1.003) 2.205 3.458 ( -2.740 -1.127 0.346) 2.982 3.533 ( -2.107 0.062 -0.427) 2.151 3.604 ( -1.573 2.844 -0.476) 3.285 3.666 ( 0.009 -2.942 0.696) 3.023 3.754 ( -0.682 -0.807 0.029) 1.057 3.803 ( -0.626 0.042 1.098) 1.265 3.953 ( -0.764 0.896 -0.634) 1.337 4.136 ( 0.260 1.415 -0.460) 1.511 4.521 ( -0.872 5.083 1.611) 5.403 4.544 ( -7.251 4.952 -2.540) 9.141 4.705 ( 6.184 -4.618 -3.150) 8.336 5.097 ( -6.255 -3.848 8.256) 11.049 5.126 ( 5.440 -9.200 -5.723) 12.124 5.490 ( 1.089 -4.875 0.931) 5.081 ======================= Grid point 91 (39/84) ======================= q-point: ( 0.33 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.711 16.878 1.060) 16.926 0.725 ( 9.603 1.680 0.062) 9.750 0.872 ( 6.259 2.979 -4.656) 8.350 0.950 ( 0.726 3.858 -1.005) 4.053 1.066 ( -0.521 6.080 -1.292) 6.238 1.094 ( -3.783 1.872 3.711) 5.620 1.253 ( 3.491 2.000 -2.396) 4.683 1.326 ( 0.284 1.440 -0.710) 1.631 1.504 ( -1.225 3.401 1.133) 3.788 1.574 ( 1.547 2.208 -1.481) 3.076 1.770 ( -1.800 6.486 2.502) 7.181 1.827 ( -0.957 5.949 -0.416) 6.039 1.881 ( -5.145 9.318 7.954) 13.288 2.016 ( -1.190 12.127 1.608) 12.291 2.062 ( 4.807 5.111 -7.966) 10.615 2.215 ( -0.467 -2.084 -1.009) 2.362 2.293 ( -0.839 2.104 -3.383) 4.072 2.459 ( 1.117 3.885 0.681) 4.099 2.473 ( 0.469 -0.862 0.588) 1.144 2.533 ( 0.507 -1.448 -0.608) 1.651 2.961 ( -1.085 -2.440 3.736) 4.592 3.003 ( -0.158 -1.059 1.346) 1.720 3.120 ( 0.370 -3.374 -1.070) 3.558 3.181 ( -0.841 -3.711 1.249) 4.005 3.186 ( 0.963 -5.071 -2.342) 5.668 3.276 ( -1.811 -4.040 -1.736) 4.756 3.318 ( -0.216 -0.984 -1.217) 1.580 3.336 ( -0.320 -0.054 0.801) 0.865 3.407 ( -1.757 -0.401 1.077) 2.100 3.497 ( -1.032 0.724 -1.387) 1.874 3.576 ( -1.104 3.369 0.528) 3.584 3.659 ( -0.566 -1.774 2.209) 2.889 3.744 ( -0.373 -1.565 0.147) 1.616 3.790 ( -0.567 0.072 0.924) 1.086 3.937 ( -0.643 0.501 -1.203) 1.453 4.139 ( 0.088 2.246 -0.441) 2.291 4.411 ( -4.238 9.505 -2.661) 10.742 4.518 ( -0.094 4.832 1.212) 4.983 4.819 ( 3.660 -6.700 -3.959) 8.600 4.978 ( -2.850 -6.588 7.077) 10.080 5.254 ( 4.871 -9.492 -2.204) 10.894 5.491 ( -1.073 -3.694 0.631) 3.898 ======================= Grid point 92 (40/84) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.471 14.325 -1.374) 14.398 0.870 ( -2.399 -0.444 1.515) 2.872 0.912 ( -0.141 0.402 1.255) 1.325 0.915 ( -3.929 3.806 1.939) 5.803 1.045 ( 3.883 2.278 -1.710) 4.815 1.099 ( 2.048 6.013 -4.581) 7.831 1.319 ( 1.765 -2.293 -2.706) 3.962 1.335 ( 1.874 7.155 -2.666) 7.863 1.502 ( 0.780 3.705 -0.283) 3.796 1.603 ( 1.243 1.637 -2.700) 3.394 1.717 ( -4.542 9.971 7.784) 13.440 1.773 ( -2.847 7.142 5.796) 9.629 1.830 ( -0.044 6.480 -0.281) 6.486 1.977 ( -2.183 11.665 3.653) 12.417 2.144 ( 3.100 3.924 -7.012) 8.612 2.221 ( 1.149 -1.634 -0.997) 2.233 2.293 ( 0.772 3.181 -4.419) 5.500 2.463 ( -0.494 2.880 1.218) 3.166 2.487 ( 0.334 1.019 0.343) 1.125 2.534 ( -0.320 -1.597 -0.584) 1.730 2.922 ( -2.072 -2.194 5.098) 5.925 3.024 ( 1.645 -0.703 0.149) 1.795 3.120 ( -0.179 -2.237 0.135) 2.248 3.150 ( -0.763 -4.366 -1.645) 4.728 3.219 ( 1.283 -3.368 -1.248) 3.814 3.244 ( -1.217 -6.444 -1.197) 6.666 3.324 ( -0.465 -0.507 -0.216) 0.721 3.332 ( 0.733 0.739 -0.159) 1.053 3.389 ( 0.243 -0.659 1.682) 1.823 3.490 ( 0.416 0.757 -2.183) 2.348 3.562 ( 0.007 3.841 0.714) 3.907 3.649 ( -0.526 -0.403 2.662) 2.744 3.739 ( 0.019 -2.338 0.450) 2.381 3.783 ( -0.137 -0.227 0.763) 0.808 3.929 ( 0.018 -0.168 -1.383) 1.394 4.139 ( -0.076 2.676 -0.407) 2.707 4.372 ( 0.695 9.000 -2.803) 9.451 4.516 ( -0.201 4.292 1.466) 4.540 4.834 ( -1.551 -6.730 -2.019) 7.195 4.982 ( 2.164 -8.080 3.665) 9.133 5.314 ( -0.139 -9.835 -0.320) 9.841 5.467 ( -0.032 -2.234 0.039) 2.235 ======================= Grid point 93 (41/84) ======================= q-point: (-0.33 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -6.444 6.006 3.392) 9.439 0.717 ( -4.012 8.153 -4.716) 10.238 0.811 ( -4.235 5.512 0.297) 6.958 0.913 ( -2.157 0.799 -2.006) 3.052 1.100 ( 0.276 1.375 0.801) 1.615 1.157 ( 2.170 1.767 -0.673) 2.878 1.341 ( 2.180 1.386 -0.418) 2.617 1.413 ( 4.355 8.021 -6.914) 11.450 1.512 ( -0.984 3.457 0.818) 3.686 1.591 ( -6.077 12.006 9.483) 16.462 1.645 ( 3.100 0.554 -4.563) 5.544 1.728 ( -2.116 6.747 4.436) 8.348 1.844 ( 1.045 6.608 -0.108) 6.691 1.948 ( -0.224 10.509 1.271) 10.588 2.194 ( 2.003 2.873 -3.894) 5.237 2.259 ( 1.950 -1.295 -0.683) 2.438 2.312 ( 1.047 4.538 -3.793) 6.006 2.441 ( -1.580 1.820 1.496) 2.837 2.474 ( -1.688 1.144 1.309) 2.424 2.521 ( -0.818 -1.572 -1.407) 2.263 2.893 ( -0.644 -1.799 3.056) 3.604 3.061 ( 1.302 -0.744 2.871) 3.239 3.123 ( 0.560 -2.267 -0.628) 2.418 3.158 ( 1.325 -5.513 -0.521) 5.694 3.219 ( -0.737 -3.854 -3.362) 5.167 3.234 ( -0.043 -4.871 0.141) 4.873 3.304 ( -0.732 -0.548 -0.736) 1.174 3.355 ( 1.156 0.106 0.370) 1.218 3.413 ( 1.562 -0.160 1.011) 1.867 3.515 ( 1.925 0.448 -1.965) 2.787 3.583 ( 1.883 3.585 0.703) 4.110 3.638 ( -0.560 0.076 2.399) 2.465 3.746 ( 0.512 -2.405 0.207) 2.468 3.785 ( 0.285 -0.187 0.798) 0.868 3.938 ( 0.781 -0.624 -1.099) 1.486 4.136 ( -0.167 2.585 -0.392) 2.620 4.436 ( 5.056 7.844 -3.010) 9.806 4.515 ( 0.509 3.819 1.409) 4.102 4.777 ( -3.597 -4.984 -1.875) 6.426 5.020 ( -0.490 -10.783 5.205) 11.984 5.264 ( -2.040 -6.200 -2.357) 6.940 5.495 ( 1.535 -4.256 0.693) 4.577 ======================= Grid point 94 (42/84) ======================= q-point: (-0.17 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -6.841 6.266 3.089) 9.778 0.651 ( -1.762 13.143 -0.747) 13.282 0.774 ( -0.614 3.461 -8.871) 9.542 0.850 ( -2.529 6.949 -3.091) 8.015 1.089 ( -0.605 -0.291 3.523) 3.586 1.162 ( -1.130 0.538 1.134) 1.689 1.376 ( -6.431 11.862 8.583) 15.991 1.394 ( -0.049 3.109 2.024) 3.710 1.513 ( 1.599 -0.722 0.007) 1.755 1.570 ( 4.211 10.950 -8.479) 14.475 1.648 ( -1.959 3.151 4.036) 5.482 1.760 ( 4.251 5.550 -4.644) 8.393 1.865 ( 0.790 6.382 0.737) 6.473 1.966 ( 1.551 10.350 -1.565) 10.582 2.218 ( -0.527 2.918 1.854) 3.497 2.278 ( -0.197 -1.697 0.488) 1.777 2.337 ( 1.442 4.905 -2.780) 5.819 2.412 ( -0.949 1.653 0.430) 1.954 2.429 ( -1.732 -0.177 0.315) 1.769 2.500 ( -0.987 -2.295 -1.614) 2.974 2.900 ( 1.196 -1.267 0.792) 1.914 3.058 ( -1.656 -1.293 1.994) 2.896 3.145 ( 1.431 -4.133 -0.013) 4.374 3.188 ( 1.055 -5.128 2.843) 5.958 3.195 ( -1.336 -3.381 -2.580) 4.458 3.244 ( 1.010 -3.432 -1.019) 3.720 3.301 ( 0.310 -0.616 -1.186) 1.371 3.373 ( 0.378 -0.014 1.247) 1.303 3.453 ( 2.203 -1.014 0.358) 2.452 3.555 ( 1.503 0.507 -0.756) 1.757 3.622 ( 0.631 3.378 -0.165) 3.440 3.640 ( 1.510 -2.120 0.776) 2.716 3.761 ( 0.952 -2.391 -0.208) 2.582 3.793 ( 0.413 0.637 1.216) 1.434 3.956 ( 0.831 -0.769 -0.567) 1.267 4.132 ( -0.172 1.868 -0.423) 1.923 4.497 ( 0.979 5.798 0.480) 5.900 4.620 ( 7.411 -0.755 -0.741) 7.486 4.699 ( -1.568 0.374 -5.509) 5.740 4.920 ( -7.769 -8.653 4.603) 12.507 5.292 ( 3.484 -6.514 -0.771) 7.427 5.499 ( -1.679 -6.005 1.206) 6.351 ======================= Grid point 95 (43/84) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.290 3.984 3.363) 5.221 0.781 ( -0.457 0.072 -6.989) 7.005 0.963 ( 0.862 9.334 -2.947) 9.826 1.018 ( -0.102 4.014 -2.158) 4.558 1.061 ( 3.454 6.647 -0.887) 7.543 1.157 ( 0.196 2.833 1.507) 3.215 1.338 ( -1.532 -2.889 4.678) 5.708 1.521 ( -4.606 9.330 4.478) 11.328 1.542 ( -0.638 0.854 1.911) 2.188 1.659 ( -0.835 6.602 1.231) 6.767 1.902 ( 2.685 4.395 -5.288) 7.382 1.949 ( 2.461 9.836 -4.285) 11.007 1.997 ( 0.612 5.226 0.966) 5.350 2.149 ( 0.591 3.443 -2.663) 4.393 2.239 ( -2.706 2.751 3.962) 5.531 2.251 ( 1.315 0.878 2.000) 2.549 2.356 ( -1.084 -0.194 -2.445) 2.681 2.426 ( 0.076 -2.308 -0.690) 2.410 2.459 ( 0.461 0.857 0.172) 0.988 2.512 ( -0.254 9.250 -0.716) 9.281 2.931 ( 1.654 -0.546 -0.003) 1.742 2.978 ( -2.014 -2.439 1.093) 3.347 3.026 ( -0.374 -4.682 0.210) 4.701 3.121 ( -0.340 -2.182 -2.070) 3.027 3.139 ( 0.483 -3.097 2.602) 4.073 3.212 ( 1.156 -3.315 0.133) 3.514 3.294 ( 0.842 -1.325 -1.583) 2.229 3.355 ( -1.213 -1.886 1.072) 2.485 3.423 ( 0.210 -3.874 -0.131) 3.882 3.562 ( -1.762 -1.205 0.907) 2.319 3.576 ( 1.456 -3.390 0.113) 3.691 3.683 ( -0.893 1.528 -0.673) 1.893 3.732 ( 0.106 -0.994 0.035) 1.001 3.825 ( 0.395 0.733 1.560) 1.768 3.987 ( 0.695 2.347 -1.172) 2.714 4.159 ( -0.272 2.200 -0.158) 2.222 4.528 ( 0.380 -4.969 -0.196) 4.987 4.550 ( -0.440 -5.162 0.503) 5.205 4.637 ( -1.565 0.903 1.961) 2.667 4.914 ( 5.585 -0.877 -6.188) 8.382 5.163 ( -4.885 -5.364 4.981) 8.800 5.351 ( 0.688 -5.901 -1.228) 6.066 ======================= Grid point 96 (44/84) ======================= q-point: ( 0.17 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 4.736 2.617 2.580) 5.994 0.794 ( 2.362 0.188 -6.044) 6.492 0.988 ( 1.616 5.834 -4.883) 7.778 1.021 ( 0.788 -0.445 0.052) 0.906 1.111 ( 0.242 11.809 0.721) 11.834 1.164 ( -0.208 4.187 1.678) 4.515 1.300 ( -2.090 -2.661 3.992) 5.233 1.459 ( -0.844 10.108 1.603) 10.269 1.535 ( 0.335 1.324 0.796) 1.581 1.648 ( -0.389 5.516 -0.959) 5.612 1.922 ( -1.106 3.189 -1.042) 3.533 1.947 ( -0.464 6.800 0.441) 6.830 2.067 ( 4.479 6.301 -5.951) 9.756 2.148 ( -2.608 4.332 3.044) 5.903 2.160 ( -1.704 2.817 0.146) 3.295 2.254 ( -2.098 2.636 3.384) 4.775 2.367 ( 2.157 1.585 -4.495) 5.232 2.427 ( 0.141 -0.722 -0.922) 1.180 2.485 ( 1.325 -0.540 1.123) 1.819 2.519 ( 0.951 6.707 0.345) 6.782 2.939 ( -0.979 -1.809 0.922) 2.254 2.970 ( 1.173 -2.910 0.025) 3.137 3.018 ( -0.358 -2.946 0.694) 3.048 3.117 ( 0.005 -1.804 -1.797) 2.547 3.133 ( -0.742 -2.755 1.999) 3.483 3.219 ( -1.153 -5.318 -0.592) 5.474 3.300 ( 0.264 -0.753 -1.998) 2.152 3.330 ( -0.645 -1.556 1.496) 2.253 3.418 ( -0.787 -2.570 -0.069) 2.688 3.526 ( -1.636 -1.031 -0.708) 2.060 3.593 ( 0.083 -3.232 1.369) 3.511 3.660 ( -0.845 2.077 -0.508) 2.299 3.730 ( -0.291 -0.848 0.128) 0.906 3.825 ( -0.416 1.182 1.412) 1.888 3.987 ( -0.624 2.623 -0.471) 2.737 4.167 ( 0.923 2.088 -0.425) 2.322 4.529 ( -1.397 -4.048 0.126) 4.284 4.555 ( 1.588 -3.400 0.395) 3.773 4.643 ( 2.028 -0.270 -0.169) 2.053 4.974 ( -4.462 -5.286 -1.897) 7.173 5.048 ( 0.143 -2.195 1.791) 2.836 5.387 ( 1.812 -5.629 -0.173) 5.916 ======================= Grid point 97 (45/84) ======================= q-point: ( 0.33 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 6.020 -0.597 0.478) 6.068 0.870 ( 4.083 -1.629 -3.589) 5.675 1.000 ( -1.718 -2.991 -0.498) 3.485 1.038 ( 0.346 10.827 -0.436) 10.841 1.089 ( -1.307 8.887 4.656) 10.117 1.156 ( 0.123 4.216 -1.542) 4.491 1.265 ( -0.813 -2.029 1.322) 2.554 1.456 ( 0.151 5.348 -1.768) 5.635 1.567 ( 2.248 3.434 -2.618) 4.869 1.644 ( -0.009 6.557 -0.691) 6.593 1.881 ( -1.879 4.280 1.855) 5.029 1.945 ( 0.019 5.558 -1.302) 5.709 2.056 ( -4.375 7.549 7.266) 11.354 2.149 ( 2.926 3.351 -4.326) 6.205 2.173 ( 1.199 2.285 -2.332) 3.478 2.195 ( -2.790 1.739 2.711) 4.261 2.393 ( 0.236 6.119 -5.148) 8.000 2.446 ( 1.525 -1.601 -0.272) 2.228 2.506 ( 0.640 -0.365 1.917) 2.054 2.543 ( 1.073 4.742 0.707) 4.913 2.920 ( -1.080 -1.816 3.163) 3.803 2.980 ( -0.066 -2.329 -0.324) 2.352 3.027 ( 1.287 -4.379 -0.353) 4.578 3.107 ( -1.240 -2.678 -0.622) 3.016 3.127 ( 0.292 -1.993 0.540) 2.086 3.179 ( -1.750 -4.870 -2.009) 5.551 3.316 ( 1.285 -0.330 -1.134) 1.745 3.328 ( 0.143 -0.267 0.545) 0.624 3.389 ( -1.864 -1.402 0.330) 2.356 3.497 ( -0.897 -0.519 -1.933) 2.193 3.587 ( -0.365 -2.546 1.784) 3.130 3.651 ( -0.178 2.170 -0.547) 2.245 3.720 ( -0.520 -0.595 0.321) 0.853 3.813 ( -0.594 1.414 1.653) 2.255 3.968 ( -1.016 2.673 0.264) 2.872 4.187 ( 0.791 2.722 -0.598) 2.897 4.497 ( -1.491 -0.617 -0.579) 1.714 4.577 ( 0.345 0.033 1.465) 1.505 4.694 ( 2.052 -5.016 -1.547) 5.636 4.846 ( -4.479 -5.390 2.865) 7.571 5.107 ( 3.056 -5.217 -1.580) 6.249 5.411 ( 0.397 -4.555 -0.177) 4.576 ======================= Grid point 98 (46/84) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 2.739 -3.125 -1.614) 4.458 0.890 ( -4.582 -2.393 1.332) 5.338 0.957 ( 0.315 0.800 -0.600) 1.049 1.003 ( -2.461 13.339 2.170) 13.736 1.088 ( 0.195 2.442 1.529) 2.888 1.167 ( 0.971 2.925 -0.747) 3.172 1.293 ( 3.005 0.345 -2.311) 3.807 1.462 ( 0.356 3.221 -0.545) 3.286 1.597 ( 0.731 -0.389 -3.336) 3.438 1.659 ( 1.896 10.679 -3.700) 11.460 1.846 ( -1.837 4.152 2.827) 5.348 1.954 ( 0.539 7.287 -1.189) 7.403 1.972 ( -3.409 8.349 7.120) 11.490 2.129 ( -2.621 3.858 3.448) 5.800 2.195 ( 1.833 -0.336 -1.014) 2.121 2.216 ( 1.908 2.709 -4.395) 5.504 2.395 ( 0.311 4.706 -4.212) 6.323 2.462 ( -0.295 -0.628 0.070) 0.697 2.518 ( 0.369 0.060 0.988) 1.056 2.556 ( 0.037 4.938 0.985) 5.035 2.895 ( -1.247 -0.702 3.529) 3.809 2.992 ( 1.307 -3.200 0.777) 3.543 3.048 ( -0.075 -4.101 -0.761) 4.172 3.083 ( 0.013 -3.210 -0.145) 3.213 3.121 ( -1.072 -3.452 -1.881) 4.074 3.164 ( 0.284 -3.110 -1.476) 3.454 3.321 ( -1.321 -0.159 -0.201) 1.346 3.345 ( 0.941 0.635 -0.815) 1.397 3.369 ( 0.954 -1.303 1.348) 2.104 3.488 ( 0.067 -0.543 -2.536) 2.594 3.587 ( 0.305 -1.820 1.790) 2.571 3.651 ( 0.267 1.857 -1.003) 2.127 3.713 ( -0.162 -0.223 0.536) 0.602 3.804 ( -0.341 1.427 2.148) 2.601 3.952 ( -0.418 2.540 0.325) 2.595 4.197 ( 0.125 3.234 -0.569) 3.287 4.475 ( -0.219 0.644 -0.349) 0.764 4.576 ( -0.311 1.210 1.737) 2.140 4.717 ( 0.315 -4.093 -1.114) 4.253 4.802 ( -0.428 -9.079 1.369) 9.191 5.152 ( 0.861 -6.205 -0.622) 6.295 5.411 ( -0.082 -3.666 -0.427) 3.691 ======================= Grid point 99 (47/84) ======================= q-point: (-0.33 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -6.496 1.665 1.368) 6.844 0.853 ( -1.636 -2.691 -4.294) 5.325 0.939 ( -1.532 8.900 -0.846) 9.070 0.977 ( 0.157 8.653 0.394) 8.663 1.074 ( -1.459 -2.633 2.353) 3.821 1.201 ( 0.790 3.308 0.174) 3.405 1.338 ( 1.241 -0.204 0.963) 1.584 1.485 ( 1.979 1.456 -0.057) 2.457 1.613 ( 0.771 -0.927 -3.051) 3.281 1.719 ( 3.766 11.705 -7.139) 14.218 1.806 ( -2.130 5.131 3.726) 6.689 1.886 ( -3.251 11.206 5.612) 12.948 1.989 ( 1.183 6.872 -0.190) 6.975 2.096 ( -0.242 4.396 1.011) 4.517 2.220 ( 0.547 -0.702 0.824) 1.213 2.254 ( 1.668 1.523 -2.600) 3.444 2.399 ( 0.051 1.346 -3.837) 4.066 2.441 ( -1.310 0.017 0.303) 1.344 2.515 ( -0.803 0.990 0.222) 1.294 2.546 ( -0.980 6.375 1.272) 6.574 2.879 ( -0.130 0.079 2.201) 2.207 3.031 ( 1.410 -6.116 2.526) 6.766 3.037 ( 0.332 -2.398 0.374) 2.450 3.082 ( -1.240 -1.938 -1.468) 2.729 3.117 ( 1.450 -4.417 -2.591) 5.322 3.169 ( 0.185 -2.984 -0.447) 3.023 3.287 ( -1.398 -1.060 -0.377) 1.794 3.360 ( 0.676 0.088 -0.306) 0.747 3.400 ( 1.218 -0.941 0.593) 1.649 3.501 ( 1.285 -1.355 -2.146) 2.845 3.598 ( 0.471 -1.371 1.867) 2.364 3.664 ( 0.985 1.749 -1.076) 2.278 3.715 ( 0.340 -0.079 0.442) 0.563 3.802 ( 0.106 1.124 2.220) 2.491 3.951 ( 0.376 2.239 -0.022) 2.271 4.192 ( -0.546 3.172 -0.526) 3.261 4.497 ( 2.094 -1.856 -0.741) 2.895 4.569 ( -0.440 1.128 1.624) 2.026 4.710 ( -0.730 -1.376 -2.552) 2.990 4.800 ( -0.350 -9.974 3.509) 10.579 5.153 ( 0.209 -4.681 -1.259) 4.852 5.409 ( -0.429 -4.770 -0.141) 4.792 ======================= Grid point 100 (48/84) ======================= q-point: (-0.17 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -5.364 3.461 2.848) 6.990 0.808 ( -1.751 -0.693 -6.928) 7.179 0.943 ( 1.774 15.437 -3.750) 15.985 0.980 ( 0.623 4.338 -1.035) 4.503 1.051 ( -0.692 -1.476 2.734) 3.183 1.177 ( -2.006 3.015 1.279) 3.841 1.355 ( -0.058 -2.765 3.776) 4.681 1.530 ( 1.811 2.237 -0.486) 2.919 1.602 ( -2.202 0.279 0.135) 2.224 1.714 ( -4.451 12.214 6.889) 14.712 1.823 ( 4.440 7.070 -7.397) 11.154 1.885 ( 2.626 9.530 -2.932) 10.311 2.000 ( -0.051 6.326 2.784) 6.912 2.120 ( 1.961 4.927 -2.574) 5.895 2.226 ( 0.274 -1.916 1.946) 2.745 2.273 ( -0.054 1.470 0.994) 1.775 2.386 ( -1.209 -0.846 -3.118) 3.449 2.422 ( -0.245 -0.224 -0.193) 0.384 2.484 ( -1.958 1.054 0.230) 2.235 2.524 ( -0.874 9.066 0.166) 9.110 2.895 ( 1.489 0.265 1.174) 1.915 3.022 ( -1.472 -5.972 0.774) 6.199 3.038 ( -1.030 -1.946 -0.300) 2.222 3.101 ( 2.604 -3.680 2.268) 5.046 3.131 ( -0.263 -3.017 -2.570) 3.972 3.187 ( 1.375 -2.696 0.295) 3.041 3.274 ( 0.402 -1.955 -1.242) 2.351 3.368 ( -0.087 -0.732 0.474) 0.877 3.416 ( 0.438 -2.292 0.057) 2.334 3.537 ( 2.019 -2.417 -1.081) 3.330 3.595 ( -1.048 -1.592 1.709) 2.560 3.685 ( 0.744 1.836 -0.753) 2.119 3.725 ( 0.499 -0.613 0.153) 0.805 3.811 ( 0.657 0.704 1.814) 2.053 3.967 ( 1.021 2.139 -0.731) 2.481 4.175 ( -0.974 2.692 -0.354) 2.884 4.530 ( 0.388 -5.481 0.095) 5.496 4.557 ( -0.593 -0.703 0.738) 1.179 4.685 ( -2.097 -3.324 -1.018) 4.060 4.811 ( 2.901 -1.200 0.260) 3.150 5.180 ( 1.753 -4.828 0.122) 5.138 5.381 ( -2.224 -6.138 -0.121) 6.529 ======================= Grid point 101 (49/84) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.375 1.016 0.988) 1.466 0.750 ( -0.061 -2.860 -2.215) 3.618 0.948 ( 0.310 -2.287 0.139) 2.312 1.130 ( -0.746 5.986 0.012) 6.032 1.197 ( -1.129 -1.662 0.117) 2.013 1.303 ( -0.468 3.563 4.432) 5.706 1.349 ( 4.744 13.101 -4.960) 14.790 1.534 ( -1.955 -2.063 -0.633) 2.912 1.579 ( -0.621 1.474 0.324) 1.632 1.856 ( -2.011 8.640 2.531) 9.225 1.972 ( 1.674 3.526 -3.505) 5.246 2.040 ( -0.078 -0.605 1.743) 1.847 2.119 ( 1.603 5.318 -2.887) 6.260 2.167 ( -0.480 -0.682 -0.802) 1.157 2.236 ( 1.447 -0.368 1.400) 2.046 2.308 ( -0.409 2.821 1.804) 3.373 2.359 ( -1.977 -0.270 -0.034) 1.996 2.382 ( 0.805 -1.430 -1.267) 2.073 2.526 ( -0.071 5.516 0.698) 5.560 2.679 ( -0.711 6.464 -0.939) 6.570 2.888 ( -0.938 -3.707 1.320) 4.046 2.911 ( 0.873 -1.831 0.694) 2.144 3.011 ( -0.248 0.921 -1.759) 2.001 3.079 ( 0.090 -2.250 0.527) 2.312 3.092 ( 1.179 -1.469 -0.052) 1.884 3.145 ( -0.248 -3.677 0.581) 3.731 3.256 ( 1.870 -2.235 -1.009) 3.084 3.287 ( -1.918 -3.863 -0.039) 4.313 3.380 ( -0.176 -0.720 0.135) 0.754 3.475 ( 0.071 -4.464 1.065) 4.590 3.577 ( -0.264 0.668 0.091) 0.723 3.666 ( -0.509 -2.042 0.051) 2.105 3.751 ( -0.173 1.669 -0.365) 1.717 3.827 ( 0.721 -0.553 0.884) 1.268 4.061 ( 0.525 5.039 -0.936) 5.152 4.218 ( -0.544 3.152 0.700) 3.274 4.441 ( 0.191 -3.097 0.348) 3.122 4.456 ( -0.477 -3.655 -0.230) 3.693 4.651 ( -0.124 0.359 1.215) 1.273 4.878 ( 2.953 -2.836 -3.794) 5.582 5.081 ( -3.294 -2.733 3.693) 5.653 5.229 ( 0.832 -6.244 -1.530) 6.482 ======================= Grid point 102 (50/84) ======================= q-point: ( 0.17 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.081 0.440 0.835) 3.222 0.766 ( 1.708 -2.819 -2.227) 3.978 0.942 ( -0.809 -2.330 -0.211) 2.475 1.118 ( 0.492 5.793 -1.534) 6.013 1.179 ( -1.223 -4.826 0.182) 4.982 1.295 ( -0.452 4.283 4.101) 5.947 1.408 ( -0.131 11.866 0.141) 11.867 1.510 ( -0.159 2.456 -3.027) 3.902 1.563 ( -0.068 -0.852 -0.575) 1.030 1.826 ( -0.552 9.783 0.971) 9.846 1.977 ( -1.096 2.396 -0.526) 2.687 2.038 ( -0.175 2.485 0.003) 2.491 2.159 ( 0.303 -0.050 -0.327) 0.449 2.163 ( 2.212 1.585 -3.841) 4.707 2.224 ( -2.406 2.157 3.462) 4.736 2.292 ( -2.746 0.770 2.433) 3.749 2.349 ( 2.699 -1.269 -2.127) 3.663 2.410 ( 1.378 -1.521 -1.042) 2.302 2.527 ( 0.016 4.661 0.872) 4.742 2.669 ( -0.111 6.287 -0.404) 6.301 2.872 ( -0.592 -3.440 0.368) 3.510 2.925 ( 0.466 -1.273 0.990) 1.678 3.003 ( -0.717 -0.011 -0.933) 1.176 3.085 ( 0.410 -1.731 1.360) 2.239 3.098 ( -0.561 -1.173 -0.696) 1.475 3.119 ( -1.673 -4.143 -0.337) 4.480 3.266 ( 0.332 -2.183 -0.214) 2.218 3.298 ( 1.728 -1.817 -0.425) 2.543 3.381 ( 0.054 -0.768 -0.023) 0.770 3.474 ( -0.148 -3.524 -0.024) 3.527 3.572 ( -0.306 0.562 0.536) 0.835 3.661 ( 0.114 -1.479 -0.115) 1.488 3.746 ( -0.306 1.881 -0.153) 1.912 3.836 ( 0.024 -0.154 1.101) 1.112 4.061 ( -0.505 4.808 -0.359) 4.848 4.217 ( 0.521 2.410 0.147) 2.470 4.450 ( 0.183 -3.142 -0.190) 3.153 4.461 ( 1.217 -4.344 0.279) 4.520 4.649 ( -0.021 0.336 1.006) 1.061 4.880 ( -3.472 -4.680 -1.611) 6.046 5.025 ( -0.512 -0.018 1.232) 1.334 5.267 ( 2.153 -6.462 -0.720) 6.850 ======================= Grid point 103 (51/84) ======================= q-point: ( 0.33 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 2.950 -1.596 -0.387) 3.376 0.812 ( 2.248 -3.900 -1.277) 4.679 0.927 ( -0.493 -2.365 -1.469) 2.827 1.137 ( -2.125 -3.248 2.097) 4.411 1.150 ( 1.549 1.902 -1.994) 3.161 1.294 ( 0.761 4.627 0.507) 4.716 1.369 ( -2.690 11.193 5.395) 12.713 1.508 ( 0.286 3.978 -3.019) 5.002 1.572 ( 0.008 -1.782 -2.242) 2.864 1.834 ( 1.136 9.379 -1.725) 9.604 1.944 ( -1.620 2.020 2.109) 3.339 2.030 ( -0.477 3.396 -1.251) 3.651 2.160 ( -2.339 1.420 2.677) 3.828 2.178 ( 1.239 1.142 -0.783) 1.858 2.212 ( 0.681 0.954 0.064) 1.173 2.228 ( -2.061 2.129 -0.087) 2.964 2.412 ( 2.581 -2.174 -1.863) 3.854 2.427 ( 0.069 -1.439 -0.624) 1.570 2.528 ( 0.090 2.897 1.252) 3.157 2.675 ( 0.591 6.090 -0.209) 6.123 2.864 ( -0.154 -3.303 0.003) 3.307 2.931 ( -0.069 -1.030 1.748) 2.030 2.987 ( -0.273 -1.003 -0.346) 1.096 3.061 ( -1.972 -2.405 -0.269) 3.122 3.095 ( -0.805 -2.488 -2.227) 3.435 3.104 ( 0.662 -1.319 1.649) 2.212 3.292 ( 1.887 -1.202 0.357) 2.265 3.328 ( 1.089 -0.830 -0.768) 1.570 3.372 ( -0.919 0.427 -0.387) 1.085 3.471 ( -0.098 -2.148 -1.574) 2.665 3.566 ( -0.175 0.685 0.980) 1.208 3.665 ( 0.125 -0.742 -0.375) 0.841 3.740 ( -0.197 2.251 0.069) 2.261 3.830 ( -0.528 0.168 1.635) 1.726 4.044 ( -0.890 4.997 0.623) 5.114 4.237 ( 1.202 1.751 -0.691) 2.234 4.440 ( -0.894 -3.422 -0.968) 3.667 4.499 ( 1.833 -5.909 1.587) 6.387 4.653 ( 0.404 -0.009 0.754) 0.856 4.779 ( -4.784 -2.301 0.830) 5.374 5.043 ( 1.426 -1.209 -0.970) 2.106 5.305 ( 1.252 -6.241 -0.677) 6.402 ======================= Grid point 104 (52/84) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 1.662 -4.039 -1.719) 4.694 0.827 ( -1.517 -3.663 0.537) 4.001 0.927 ( 0.834 -2.480 -2.971) 3.959 1.091 ( -1.496 -3.223 1.911) 4.035 1.170 ( 0.095 3.982 -0.366) 4.000 1.308 ( -1.677 9.983 4.692) 11.157 1.356 ( 3.441 4.928 -1.582) 6.215 1.498 ( -2.012 2.080 -0.058) 2.894 1.571 ( 1.034 -1.181 -2.960) 3.351 1.859 ( 0.560 6.387 -1.539) 6.593 1.921 ( -0.049 4.452 1.002) 4.564 2.026 ( 0.206 1.655 -1.245) 2.081 2.111 ( -1.976 3.910 2.972) 5.293 2.169 ( -1.994 0.774 2.076) 2.981 2.213 ( 1.609 1.864 -0.540) 2.521 2.252 ( 1.612 1.512 -2.288) 3.182 2.415 ( -0.962 -1.069 -0.578) 1.550 2.444 ( 0.390 -1.904 -1.022) 2.196 2.532 ( 0.207 1.759 1.192) 2.135 2.689 ( 0.612 6.165 -0.327) 6.204 2.865 ( 0.208 -2.892 -0.323) 2.917 2.927 ( -0.198 -1.228 2.917) 3.171 2.997 ( 0.776 -1.601 -0.330) 1.809 3.025 ( -0.834 -2.469 -0.287) 2.622 3.073 ( -1.116 -1.780 -2.770) 3.476 3.115 ( 0.295 -1.877 1.262) 2.281 3.315 ( -1.429 -0.282 -0.218) 1.473 3.334 ( 0.711 -1.334 0.592) 1.623 3.372 ( 1.228 1.351 -1.154) 2.160 3.469 ( -0.081 -1.538 -2.094) 2.600 3.570 ( 0.557 0.776 0.913) 1.322 3.666 ( 0.058 -0.270 -0.616) 0.675 3.738 ( 0.048 2.263 0.068) 2.264 3.820 ( -0.450 0.128 2.134) 2.185 4.029 ( -0.436 5.228 0.897) 5.323 4.255 ( 0.286 1.976 -0.861) 2.174 4.424 ( -0.243 -3.863 -0.818) 3.956 4.526 ( 0.535 -6.171 2.095) 6.539 4.666 ( 0.515 -0.831 1.046) 1.432 4.706 ( -1.663 -0.879 0.129) 1.885 5.069 ( 0.926 -2.084 -0.856) 2.436 5.316 ( -0.112 -5.956 -0.799) 6.010 ======================= Grid point 105 (53/84) ======================= q-point: (-0.33 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -3.489 -2.829 0.836) 4.569 0.785 ( -0.902 -2.226 -2.560) 3.511 0.937 ( -0.022 -4.211 -1.735) 4.555 1.089 ( 1.044 1.128 1.130) 1.908 1.174 ( 0.726 5.654 -2.215) 6.115 1.284 ( -0.623 6.879 5.133) 8.606 1.386 ( -2.456 6.305 1.925) 7.035 1.489 ( 2.914 -1.475 -3.060) 4.476 1.600 ( 1.010 0.143 -2.175) 2.402 1.848 ( -0.402 1.639 1.006) 1.965 1.957 ( 2.352 9.120 -3.885) 10.188 2.017 ( -1.288 0.306 3.266) 3.525 2.100 ( 0.880 4.900 -1.251) 5.133 2.139 ( -0.801 0.643 1.345) 1.692 2.231 ( -0.083 1.646 1.862) 2.486 2.283 ( 1.279 1.756 -1.107) 2.438 2.395 ( -0.762 -0.337 -1.584) 1.790 2.432 ( -1.228 -1.459 -0.402) 1.949 2.536 ( 0.053 1.880 0.868) 2.072 2.697 ( 0.108 6.496 -0.359) 6.507 2.871 ( 0.442 -1.917 -0.837) 2.138 2.923 ( -0.431 -2.715 3.415) 4.384 3.002 ( 0.795 -1.330 0.371) 1.593 3.044 ( -0.024 -2.031 -2.295) 3.065 3.054 ( 1.090 -2.014 -0.650) 2.380 3.117 ( -0.042 -2.183 0.690) 2.290 3.272 ( -2.085 -0.285 -0.008) 2.105 3.342 ( -0.137 -1.719 -0.297) 1.749 3.393 ( 0.417 0.176 -0.420) 0.618 3.466 ( -0.010 -2.185 -1.450) 2.622 3.585 ( 0.564 0.543 0.710) 1.057 3.670 ( 0.373 -0.493 -0.502) 0.796 3.742 ( 0.345 1.903 -0.193) 1.944 3.812 ( -0.317 -0.145 2.199) 2.226 4.029 ( 0.395 5.510 0.414) 5.539 4.250 ( -0.595 1.959 -0.578) 2.128 4.429 ( 0.493 -3.485 -0.634) 3.576 4.521 ( -1.162 -5.805 1.382) 6.079 4.656 ( -0.668 -1.409 0.515) 1.642 4.728 ( 2.725 -0.068 0.723) 2.820 5.084 ( 0.753 -2.143 -0.744) 2.390 5.299 ( -1.531 -6.337 -0.688) 6.555 ======================= Grid point 106 (54/84) ======================= q-point: (-0.17 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -4.189 -0.022 1.292) 4.384 0.764 ( -1.030 -2.903 -2.803) 4.165 0.938 ( 0.367 -3.178 -0.265) 3.210 1.120 ( 1.402 3.261 0.850) 3.650 1.208 ( 1.921 4.460 -3.149) 5.788 1.276 ( 0.115 10.026 0.664) 10.049 1.328 ( -1.972 3.134 4.334) 5.700 1.548 ( 1.776 -1.812 -3.939) 4.685 1.593 ( -1.347 1.221 1.607) 2.427 1.868 ( 1.558 2.211 -1.640) 3.163 1.956 ( -1.255 7.075 1.934) 7.441 2.027 ( 1.542 1.470 -1.594) 2.661 2.105 ( -0.193 5.813 0.525) 5.840 2.156 ( 1.722 -1.151 -2.916) 3.577 2.220 ( -0.532 1.683 3.288) 3.732 2.304 ( 0.759 1.909 0.617) 2.145 2.380 ( -0.616 0.559 -1.978) 2.145 2.401 ( -1.607 -1.606 0.092) 2.274 2.532 ( -0.395 3.831 0.729) 3.919 2.693 ( -0.434 6.611 -0.755) 6.668 2.887 ( 1.129 -2.078 -0.432) 2.404 2.909 ( -0.966 -3.228 2.621) 4.269 3.024 ( -0.851 -0.136 -2.258) 2.417 3.043 ( 2.550 -1.972 1.111) 3.409 3.083 ( 0.360 -1.996 -0.469) 2.081 3.129 ( 1.299 -3.148 0.597) 3.458 3.240 ( -0.621 -1.113 -0.506) 1.372 3.326 ( -1.412 -3.150 -0.333) 3.468 3.390 ( -0.537 -0.446 -0.022) 0.699 3.470 ( 0.339 -3.736 0.066) 3.752 3.585 ( -0.444 0.436 0.513) 0.807 3.675 ( -0.130 -1.528 -0.136) 1.540 3.750 ( 0.301 1.706 -0.450) 1.790 3.813 ( 0.380 -0.486 1.444) 1.570 4.044 ( 0.907 5.495 -0.412) 5.584 4.234 ( -0.850 2.606 0.179) 2.747 4.437 ( 0.223 -3.585 0.006) 3.592 4.484 ( -1.953 -4.441 0.140) 4.854 4.651 ( 0.017 -0.227 0.978) 1.004 4.800 ( 3.962 -0.941 -0.987) 4.190 5.103 ( 0.737 -2.779 0.699) 2.959 5.253 ( -2.449 -6.625 -0.852) 7.114 ======================= Grid point 107 (55/84) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.086 1.644 -0.041) 1.646 0.679 ( 0.088 -3.764 0.123) 3.767 0.960 ( 0.138 3.503 -0.640) 3.564 1.068 ( -0.263 -6.658 -0.041) 6.663 1.280 ( -1.877 6.192 1.984) 6.768 1.362 ( -0.790 -0.357 3.792) 3.890 1.486 ( -1.624 -0.378 -1.001) 1.945 1.500 ( 1.055 0.479 0.164) 1.170 1.701 ( 2.888 10.986 -5.165) 12.478 1.896 ( 3.560 -6.521 -5.107) 9.015 2.012 ( 0.514 2.725 -0.368) 2.798 2.069 ( -2.153 2.114 1.339) 3.301 2.095 ( 0.337 -1.871 -1.421) 2.373 2.158 ( -0.460 -2.466 0.235) 2.519 2.284 ( -0.237 4.085 2.792) 4.954 2.342 ( 0.111 -0.479 1.407) 1.491 2.356 ( -0.586 0.696 0.920) 1.294 2.369 ( -1.086 -0.437 0.664) 1.346 2.637 ( -0.083 5.076 -0.133) 5.079 2.718 ( -0.694 -2.548 0.043) 2.641 2.870 ( -0.117 1.747 -0.618) 1.857 2.893 ( 0.660 -0.418 -0.178) 0.801 3.023 ( -0.564 0.109 -0.788) 0.975 3.040 ( -0.263 -1.824 0.519) 1.914 3.067 ( 1.062 -0.475 0.333) 1.210 3.084 ( 0.238 -1.838 0.594) 1.946 3.225 ( 0.658 -0.564 -0.388) 0.950 3.234 ( -0.589 -1.505 -0.624) 1.732 3.378 ( -0.113 0.495 0.305) 0.592 3.405 ( 0.130 -2.443 0.736) 2.555 3.594 ( -0.292 1.184 0.042) 1.220 3.625 ( -0.421 -1.903 0.173) 1.957 3.780 ( 0.140 1.347 -0.512) 1.448 3.807 ( 0.614 -1.296 -0.033) 1.434 4.170 ( 0.052 5.327 -0.100) 5.328 4.241 ( -0.378 -1.365 0.763) 1.609 4.408 ( 0.244 -0.972 0.077) 1.005 4.410 ( -0.251 -0.813 0.099) 0.856 4.687 ( -0.011 4.090 0.470) 4.117 4.794 ( 0.716 -5.584 -0.987) 5.715 5.064 ( -1.033 1.014 1.023) 1.772 5.119 ( 0.455 -4.484 -1.032) 4.624 ======================= Grid point 108 (56/84) ======================= q-point: ( 0.17 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 2.207 1.336 -0.060) 2.581 0.699 ( 1.656 -3.296 -0.012) 3.688 0.947 ( -1.202 2.907 -0.808) 3.247 1.048 ( -1.567 -6.684 -0.131) 6.866 1.239 ( -1.329 5.926 0.570) 6.100 1.335 ( -1.524 -2.466 2.404) 3.766 1.467 ( -0.232 2.167 -0.710) 2.291 1.520 ( 0.525 -2.301 0.164) 2.365 1.742 ( 0.665 13.265 -2.939) 13.603 1.932 ( -0.011 -2.617 -1.592) 3.063 2.020 ( -2.170 2.172 2.173) 3.761 2.040 ( 1.769 -1.219 -2.891) 3.602 2.111 ( 1.049 -1.135 -1.058) 1.873 2.153 ( 0.257 -2.420 -0.136) 2.438 2.284 ( 0.020 3.553 2.275) 4.219 2.315 ( -1.952 1.212 0.914) 2.473 2.343 ( -0.536 0.185 0.359) 0.671 2.371 ( 0.763 -2.535 0.191) 2.654 2.623 ( -1.004 4.547 0.001) 4.657 2.700 ( -0.797 -2.737 0.088) 2.852 2.870 ( 0.171 2.762 -0.561) 2.824 2.909 ( 0.755 -0.769 -0.032) 1.078 3.000 ( -1.379 -0.008 -0.165) 1.389 3.029 ( -1.021 -3.152 0.207) 3.320 3.072 ( 0.114 0.289 0.738) 0.801 3.089 ( -0.024 -1.060 0.055) 1.061 3.243 ( 1.533 0.138 -0.155) 1.547 3.262 ( 2.214 -1.566 -0.459) 2.751 3.383 ( 0.523 0.787 -0.030) 0.945 3.414 ( 0.589 -2.353 0.034) 2.425 3.593 ( 0.126 1.447 0.179) 1.463 3.626 ( 0.456 -1.838 0.130) 1.898 3.783 ( 0.164 1.892 -0.272) 1.919 3.818 ( 0.370 -1.519 0.267) 1.586 4.164 ( -0.524 5.016 0.038) 5.044 4.231 ( -0.391 -1.371 0.418) 1.486 4.403 ( -0.048 -1.055 0.460) 1.152 4.412 ( -0.314 -1.453 -0.286) 1.513 4.682 ( -0.378 3.681 0.670) 3.761 4.780 ( -1.891 -5.426 -0.277) 5.753 5.053 ( 0.186 2.988 0.039) 2.995 5.142 ( 1.502 -5.773 -0.700) 6.006 ======================= Grid point 109 (57/84) ======================= q-point: ( 0.33 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 1.322 0.694 -0.194) 1.505 0.735 ( 1.370 -3.396 0.073) 3.662 0.921 ( -0.904 2.021 -1.371) 2.604 1.010 ( -1.731 -6.444 -0.639) 6.703 1.236 ( 0.837 4.795 -0.178) 4.871 1.323 ( 0.604 -2.846 -0.075) 2.910 1.462 ( -0.477 3.357 -0.358) 3.410 1.524 ( 0.148 -2.513 -0.924) 2.682 1.721 ( -2.371 12.403 2.574) 12.887 1.903 ( -2.600 -4.405 3.566) 6.235 1.996 ( 0.200 4.164 -0.376) 4.186 2.068 ( 0.883 -2.434 -3.285) 4.183 2.122 ( -0.317 0.879 -0.167) 0.949 2.168 ( 0.866 -1.924 -0.411) 2.150 2.266 ( -0.973 3.866 0.815) 4.069 2.299 ( 0.075 3.665 -0.449) 3.693 2.352 ( 1.197 -3.382 -1.091) 3.750 2.381 ( 0.158 -3.179 -0.296) 3.197 2.605 ( -0.578 4.486 0.389) 4.540 2.691 ( -0.023 -3.593 -0.142) 3.596 2.874 ( 0.111 3.327 -0.337) 3.345 2.919 ( 0.106 -0.892 0.390) 0.979 2.976 ( -0.725 0.132 0.441) 0.859 3.005 ( -1.137 -2.680 0.021) 2.911 3.073 ( -0.339 0.026 -0.452) 0.566 3.084 ( -0.228 -0.943 0.789) 1.251 3.285 ( 2.072 0.466 0.174) 2.131 3.303 ( 1.381 -1.263 -0.148) 1.877 3.394 ( 0.430 1.417 -0.847) 1.706 3.427 ( 0.613 -1.996 -1.042) 2.334 3.598 ( 0.323 2.134 0.382) 2.192 3.638 ( 0.590 -1.796 -0.024) 1.891 3.786 ( -0.009 2.148 0.270) 2.165 3.820 ( -0.268 -1.181 1.026) 1.588 4.152 ( -0.510 5.394 0.346) 5.429 4.233 ( 0.549 -2.323 -0.237) 2.399 4.394 ( -1.255 -1.162 -0.565) 1.801 4.407 ( 0.304 -2.828 0.635) 2.914 4.676 ( -0.132 2.310 1.043) 2.538 4.730 ( -2.402 -2.769 0.727) 3.737 5.066 ( 0.782 3.555 -0.751) 3.717 5.173 ( 1.200 -6.659 -0.802) 6.814 ======================= Grid point 110 (58/84) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.221 -0.279 -0.222) 0.419 0.748 ( -0.141 -3.795 0.224) 3.805 0.911 ( -0.103 1.673 -1.690) 2.380 0.990 ( 0.244 -5.671 -1.078) 5.778 1.256 ( 0.800 4.804 -0.466) 4.892 1.351 ( 1.287 -4.259 -0.544) 4.482 1.454 ( 0.446 5.645 -1.468) 5.850 1.536 ( 0.992 -2.458 -2.238) 3.469 1.660 ( -3.067 10.931 4.980) 12.397 1.843 ( -2.947 -6.319 6.139) 9.290 2.015 ( 1.090 3.801 -1.582) 4.259 2.077 ( 0.348 -0.435 -2.642) 2.700 2.108 ( -0.667 1.664 0.586) 1.886 2.170 ( -0.441 -1.965 0.414) 2.056 2.274 ( 1.057 4.265 -0.830) 4.472 2.302 ( 0.455 3.189 -0.680) 3.292 2.369 ( 0.096 -3.239 -1.069) 3.412 2.387 ( 0.685 -3.544 -1.194) 3.802 2.601 ( 0.129 4.809 0.561) 4.843 2.698 ( 0.642 -4.275 -0.362) 4.339 2.875 ( -0.006 3.271 -0.245) 3.280 2.918 ( -0.214 -0.735 0.836) 1.133 2.974 ( 0.627 -0.574 0.711) 1.108 2.985 ( -0.594 -1.537 -0.059) 1.649 3.059 ( -0.751 0.407 -1.165) 1.444 3.082 ( -0.157 -1.584 0.990) 1.874 3.311 ( -0.681 -0.067 0.076) 0.688 3.315 ( 0.605 -0.487 0.332) 0.845 3.401 ( 0.262 1.529 -1.348) 2.055 3.433 ( -0.069 -1.783 -1.470) 2.312 3.608 ( 0.539 2.463 0.390) 2.552 3.649 ( 0.365 -1.490 -0.268) 1.557 3.781 ( -0.398 1.901 0.651) 2.049 3.811 ( -0.585 -1.033 1.561) 1.961 4.147 ( -0.001 6.134 0.448) 6.151 4.246 ( 0.361 -3.166 -0.472) 3.221 4.374 ( -0.199 -0.578 -0.609) 0.863 4.411 ( 0.069 -4.306 0.563) 4.343 4.678 ( -0.010 1.233 1.078) 1.638 4.697 ( -0.352 -0.564 1.204) 1.376 5.079 ( 0.375 3.238 -0.910) 3.384 5.185 ( -0.054 -6.775 -0.911) 6.836 ======================= Grid point 111 (59/84) ======================= q-point: (-0.33 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -1.495 -0.749 -0.160) 1.679 0.730 ( -1.510 -3.462 0.038) 3.778 0.918 ( 0.915 2.878 -1.335) 3.302 1.017 ( 2.011 -6.056 -0.674) 6.417 1.273 ( 0.969 5.148 -0.779) 5.296 1.358 ( -0.128 -2.253 1.577) 2.753 1.492 ( 2.443 3.599 -4.073) 5.959 1.540 ( -1.377 2.838 1.311) 3.416 1.622 ( 0.004 6.128 1.105) 6.227 1.796 ( -1.195 -7.297 4.275) 8.541 2.024 ( -0.241 2.611 -0.485) 2.667 2.087 ( 0.461 -2.284 -1.771) 2.926 2.105 ( 0.430 4.198 -0.735) 4.284 2.163 ( -0.212 -0.808 0.023) 0.836 2.280 ( -0.131 3.610 0.742) 3.688 2.322 ( 1.065 1.145 -0.196) 1.576 2.373 ( 0.385 -1.512 -1.132) 1.928 2.392 ( -0.320 -2.298 -0.561) 2.387 2.609 ( 0.673 5.216 0.437) 5.277 2.713 ( 0.721 -4.388 -0.193) 4.451 2.873 ( -0.107 2.721 -0.402) 2.753 2.908 ( -0.774 -0.542 0.547) 1.092 2.988 ( 1.083 -0.086 0.278) 1.122 3.003 ( 1.875 -1.691 0.732) 2.629 3.043 ( -0.636 0.857 -1.246) 1.640 3.077 ( -0.325 -2.073 0.961) 2.308 3.280 ( -2.083 1.050 0.074) 2.334 3.308 ( -1.270 -1.641 0.028) 2.076 3.400 ( -0.376 0.615 -0.891) 1.146 3.423 ( -0.731 -1.815 -0.976) 2.187 3.615 ( -0.041 2.069 0.276) 2.088 3.652 ( -0.154 -1.442 -0.144) 1.458 3.775 ( -0.104 1.386 0.158) 1.399 3.799 ( -0.437 -1.052 1.294) 1.724 4.152 ( 0.465 6.260 0.282) 6.284 4.245 ( -0.196 -2.573 -0.176) 2.586 4.383 ( 0.693 -0.839 -0.177) 1.102 4.414 ( 0.276 -3.963 0.263) 3.981 4.676 ( 0.123 2.409 1.043) 2.628 4.717 ( 1.724 -1.288 0.656) 2.250 5.081 ( -0.053 2.158 -0.666) 2.259 5.169 ( -1.375 -6.232 -0.825) 6.435 ======================= Grid point 112 (60/84) ======================= q-point: (-0.17 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -2.324 0.509 -0.051) 2.379 0.695 ( -1.475 -3.673 -0.026) 3.959 0.943 ( 1.273 3.778 -0.786) 4.064 1.056 ( 1.355 -6.591 -0.164) 6.731 1.293 ( 0.548 5.259 1.142) 5.409 1.364 ( 0.464 -0.599 2.278) 2.401 1.497 ( -1.255 4.860 1.675) 5.291 1.520 ( -0.661 0.511 -2.139) 2.296 1.646 ( 2.039 6.353 -2.409) 7.093 1.817 ( 3.087 -7.613 -2.139) 8.489 2.014 ( -0.488 3.053 -0.047) 3.092 2.091 ( -0.107 -3.931 -1.126) 4.090 2.106 ( -0.701 4.199 -0.670) 4.309 2.162 ( 0.066 -0.881 -0.283) 0.928 2.283 ( 0.300 4.124 1.902) 4.551 2.335 ( 0.175 0.062 1.255) 1.269 2.373 ( -0.637 -0.374 0.503) 0.893 2.383 ( -0.248 -0.895 -0.246) 0.961 2.627 ( 0.840 5.364 0.101) 5.430 2.724 ( 0.160 -3.549 0.025) 3.553 2.872 ( 0.016 1.751 -0.571) 1.842 2.891 ( -0.580 -0.176 -0.016) 0.607 3.021 ( 1.330 -0.056 -0.484) 1.416 3.034 ( 0.566 0.777 0.935) 1.341 3.042 ( 0.890 -1.598 -0.561) 1.914 3.073 ( 0.279 -2.419 0.958) 2.617 3.237 ( -1.654 0.790 -0.282) 1.854 3.269 ( -2.153 -2.375 -0.321) 3.222 3.387 ( -0.673 0.277 -0.116) 0.737 3.409 ( -0.485 -2.112 0.114) 2.170 3.606 ( -0.682 1.508 0.184) 1.665 3.640 ( -0.836 -1.864 0.127) 2.046 3.777 ( 0.210 1.080 -0.462) 1.193 3.797 ( 0.224 -0.987 0.437) 1.103 4.163 ( 0.499 5.806 0.050) 5.827 4.244 ( 0.044 -1.907 0.415) 1.952 4.396 ( 0.586 -0.515 0.272) 0.826 4.418 ( -0.119 -2.425 -0.083) 2.430 4.683 ( 0.340 3.558 0.658) 3.634 4.760 ( 2.164 -3.291 -0.290) 3.949 5.078 ( -0.239 0.563 0.204) 0.645 5.134 ( -1.637 -4.909 -0.862) 5.246 ======================= Grid point 143 (61/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.000 0.000 0.000) 0.000 0.476 ( 0.000 0.000 0.000) 0.000 0.538 ( 0.000 0.000 0.000) 0.000 0.649 ( 0.000 0.000 0.000) 0.000 0.667 ( 0.000 0.000 -0.000) 0.000 0.905 ( -0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.322 ( 0.000 0.000 0.000) 0.000 1.500 ( -0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 -0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.709 ( -0.000 0.000 0.000) 0.000 2.156 ( -0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.493 ( -0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.200 ( -0.000 0.000 -0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.352 ( -0.000 0.000 -0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 -0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.328 ( -0.000 0.000 0.000) 0.000 4.801 ( -0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.675 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 145 (62/84) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 11.365 0.000 -5.352) 12.562 0.468 ( -6.462 0.000 12.318) 13.910 0.488 ( -2.280 0.000 12.917) 13.116 0.651 ( 5.754 0.000 10.413) 11.897 0.765 ( 8.368 0.000 -13.064) 15.514 0.965 ( 2.812 0.000 -2.437) 3.721 1.297 ( 2.101 0.000 -4.744) 5.188 1.354 ( 4.201 0.000 -8.536) 9.514 1.430 ( -5.296 0.000 7.962) 9.562 1.539 ( -2.883 0.000 1.988) 3.502 1.581 ( 0.143 0.000 -3.649) 3.652 1.649 ( -0.550 0.000 -0.021) 0.550 1.657 ( 0.866 0.000 -1.350) 1.604 1.725 ( 0.819 0.000 -1.356) 1.584 2.075 ( -5.921 0.000 8.699) 10.523 2.232 ( 0.101 0.000 0.225) 0.247 2.274 ( 0.208 0.000 -0.072) 0.220 2.398 ( -3.146 0.000 -2.880) 4.265 2.477 ( 2.136 0.000 -0.993) 2.355 2.542 ( -0.863 0.000 1.732) 1.935 3.047 ( 0.858 0.000 -2.020) 2.195 3.162 ( -0.874 0.000 -1.361) 1.617 3.202 ( 0.083 0.000 0.045) 0.095 3.240 ( 0.285 0.000 1.023) 1.062 3.317 ( 0.019 0.000 -0.018) 0.026 3.331 ( -2.966 0.000 0.170) 2.971 3.362 ( 0.068 0.000 -0.080) 0.105 3.416 ( 0.028 0.000 0.058) 0.065 3.419 ( -4.822 0.000 -5.980) 7.682 3.467 ( 0.136 0.000 4.599) 4.601 3.493 ( -1.607 0.000 0.505) 1.684 3.704 ( -1.468 0.000 0.363) 1.512 3.775 ( -0.425 0.000 1.630) 1.684 3.918 ( -0.048 0.000 -0.001) 0.048 3.956 ( -2.151 0.000 -0.139) 2.156 4.033 ( -0.076 0.000 0.001) 0.076 4.102 ( -9.285 0.000 8.265) 12.431 4.374 ( 1.530 0.000 0.559) 1.628 4.789 ( 5.113 0.000 -0.617) 5.150 5.204 ( 12.233 0.000 -1.567) 12.333 5.469 ( -7.519 0.000 0.276) 7.524 5.675 ( -1.524 0.000 3.359) 3.688 ======================= Grid point 146 (63/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( -11.496 0.000 21.227) 24.140 0.472 ( 0.010 0.000 7.849) 7.849 0.668 ( 8.675 0.000 -1.962) 8.894 0.849 ( 9.320 0.000 1.954) 9.522 0.950 ( 9.169 0.000 -11.930) 15.046 0.972 ( -1.881 0.000 1.858) 2.644 1.301 ( -7.073 0.000 9.288) 11.674 1.333 ( 1.677 0.000 -3.347) 3.744 1.426 ( 0.383 0.000 -4.064) 4.082 1.530 ( 3.167 0.000 -4.415) 5.434 1.566 ( -0.954 0.000 -1.229) 1.556 1.635 ( -0.628 0.000 -0.171) 0.650 1.678 ( 0.877 0.000 -1.553) 1.784 1.728 ( -0.360 0.000 -2.984) 3.005 1.963 ( -4.394 0.000 9.592) 10.550 2.234 ( 0.114 0.000 0.222) 0.249 2.279 ( 0.207 0.000 -0.070) 0.218 2.331 ( -2.368 0.000 -0.335) 2.391 2.494 ( -0.603 0.000 0.837) 1.032 2.549 ( 1.379 0.000 -0.914) 1.654 3.025 ( -1.670 0.000 -0.715) 1.816 3.168 ( -0.390 0.000 -1.404) 1.457 3.204 ( 0.077 0.000 0.045) 0.089 3.253 ( -1.507 0.000 0.283) 1.533 3.277 ( -1.016 0.000 3.404) 3.553 3.291 ( -1.950 0.000 -4.875) 5.250 3.317 ( 0.013 0.000 -0.022) 0.025 3.364 ( 0.074 0.000 -0.077) 0.107 3.416 ( 0.032 0.000 0.058) 0.066 3.442 ( -2.791 0.000 0.195) 2.798 3.518 ( 2.368 0.000 -1.064) 2.596 3.672 ( -1.286 0.000 0.171) 1.297 3.789 ( 1.567 0.000 0.008) 1.567 3.911 ( -1.827 0.000 0.712) 1.961 3.917 ( -0.048 0.000 -0.001) 0.048 3.971 ( -4.015 0.000 5.998) 7.218 4.031 ( -0.076 0.000 0.001) 0.076 4.398 ( 0.782 0.000 0.539) 0.950 4.919 ( 5.639 0.000 -1.635) 5.871 5.263 ( -4.458 0.000 6.465) 7.853 5.453 ( 4.892 0.000 -6.030) 7.765 5.628 ( -2.478 0.000 1.407) 2.849 ======================= Grid point 147 (64/84) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.070 ( -0.000 0.000 0.000) 0.000 0.477 ( -0.000 0.000 0.000) 0.000 0.779 ( 0.000 0.000 0.000) 0.000 0.929 ( -0.000 0.000 0.000) 0.000 0.961 ( -0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 -0.000) 0.000 1.161 ( -0.000 0.000 0.000) 0.000 1.354 ( -0.000 0.000 0.000) 0.000 1.416 ( -0.000 0.000 0.000) 0.000 1.554 ( -0.000 0.000 -0.000) 0.000 1.580 ( -0.000 0.000 -0.000) 0.000 1.627 ( -0.000 0.000 0.000) 0.000 1.687 ( -0.000 0.000 -0.000) 0.000 1.720 ( -0.000 0.000 0.000) 0.000 1.916 ( -0.000 0.000 0.000) 0.000 2.236 ( -0.000 0.000 -0.000) 0.000 2.282 ( -0.000 0.000 0.000) 0.000 2.305 ( -0.000 0.000 -0.000) 0.000 2.487 ( -0.000 0.000 0.000) 0.000 2.565 ( -0.000 0.000 0.000) 0.000 3.002 ( -0.000 0.000 0.000) 0.000 3.153 ( -0.000 0.000 -0.000) 0.000 3.205 ( -0.000 0.000 -0.000) 0.000 3.229 ( -0.000 0.000 0.000) 0.000 3.238 ( -0.000 0.000 -0.000) 0.000 3.317 ( -0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 -0.000) 0.000 3.365 ( -0.000 0.000 0.000) 0.000 3.390 ( -0.000 0.000 -0.000) 0.000 3.417 ( -0.000 0.000 -0.000) 0.000 3.546 ( -0.000 0.000 0.000) 0.000 3.657 ( -0.000 0.000 0.000) 0.000 3.815 ( -0.000 0.000 0.000) 0.000 3.888 ( -0.000 0.000 -0.000) 0.000 3.917 ( -0.000 0.000 0.000) 0.000 3.928 ( -0.000 0.000 0.000) 0.000 4.030 ( -0.000 0.000 0.000) 0.000 4.406 ( -0.000 0.000 0.000) 0.000 4.986 ( -0.000 0.000 -0.000) 0.000 5.205 ( -0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 -0.000) 0.000 5.592 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (65/84) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 9.352 0.000) 9.352 0.505 ( -0.000 3.081 -0.000) 3.081 0.513 ( 0.000 -0.671 0.000) 0.671 0.610 ( 0.000 6.763 0.000) 6.763 0.956 ( 0.000 15.303 -0.000) 15.303 1.039 ( -0.000 10.741 0.000) 10.741 1.260 ( 0.000 0.893 0.000) 0.893 1.317 ( -0.000 0.695 0.000) 0.695 1.495 ( -0.000 -2.244 0.000) 2.244 1.584 ( -0.000 -3.246 0.000) 3.246 1.595 ( 0.000 6.594 0.000) 6.594 1.641 ( 0.000 4.205 -0.000) 4.205 1.755 ( 0.000 6.660 0.000) 6.660 1.790 ( 0.000 6.563 0.000) 6.563 2.172 ( -0.000 1.811 0.000) 1.811 2.243 ( -0.000 1.380 0.000) 1.380 2.311 ( 0.000 2.368 0.000) 2.368 2.396 ( 0.000 0.375 0.000) 0.375 2.438 ( 0.000 -3.825 0.000) 3.825 2.520 ( 0.000 -2.364 0.000) 2.364 2.970 ( 0.000 -3.723 0.000) 3.723 3.102 ( 0.000 -3.522 0.000) 3.522 3.205 ( 0.000 -2.982 0.000) 2.982 3.271 ( -0.000 -4.437 -0.000) 4.437 3.274 ( 0.000 1.944 0.000) 1.944 3.283 ( -0.000 -2.904 0.000) 2.904 3.351 ( 0.000 -3.164 0.000) 3.164 3.386 ( 0.000 0.634 0.000) 0.634 3.516 ( 0.000 0.119 -0.000) 0.119 3.518 ( 0.000 4.981 0.000) 4.981 3.575 ( 0.000 1.312 0.000) 1.312 3.698 ( 0.000 -1.767 0.000) 1.767 3.789 ( -0.000 0.867 0.000) 0.867 3.834 ( 0.000 -4.268 0.000) 4.268 3.985 ( 0.000 -0.998 0.000) 0.998 4.089 ( 0.000 3.204 0.000) 3.204 4.398 ( 0.000 6.744 0.000) 6.744 4.473 ( 0.000 12.006 0.000) 12.006 4.788 ( -0.000 -0.706 0.000) 0.706 4.889 ( 0.000 -4.561 0.000) 4.561 5.551 ( 0.000 -4.032 0.000) 4.032 5.554 ( -0.000 -10.127 0.000) 10.127 ======================= Grid point 153 (66/84) ======================= q-point: ( 0.17 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -3.664 5.099 7.446) 9.740 0.498 ( 8.868 4.988 -2.617) 10.505 0.591 ( 6.426 3.607 1.869) 7.603 0.740 ( 8.361 2.911 -6.337) 10.887 0.871 ( -4.558 15.188 11.445) 19.556 1.088 ( 1.859 7.942 -1.322) 8.263 1.271 ( 1.044 -2.014 -1.693) 2.831 1.382 ( 4.315 3.449 -7.727) 9.499 1.436 ( -3.465 -0.304 3.212) 4.735 1.544 ( -3.298 4.161 3.697) 6.470 1.611 ( 1.452 -1.925 -2.724) 3.638 1.679 ( 2.489 6.076 -5.592) 8.624 1.740 ( -1.197 6.331 0.721) 6.483 1.784 ( -0.512 6.143 -0.876) 6.227 2.100 ( -5.443 2.569 7.935) 9.959 2.237 ( -0.245 0.563 0.415) 0.742 2.300 ( -1.150 1.368 0.196) 1.798 2.403 ( -1.194 0.834 -1.708) 2.245 2.465 ( 3.234 -0.813 -2.267) 4.032 2.515 ( -0.349 -2.123 1.444) 2.591 2.977 ( 0.427 -4.138 -0.791) 4.235 3.122 ( 1.873 -2.379 -1.347) 3.314 3.205 ( -0.138 -2.806 2.169) 3.549 3.247 ( -1.880 -3.297 -1.010) 3.928 3.259 ( -1.012 -0.230 0.634) 1.216 3.299 ( 0.675 -2.812 0.032) 2.892 3.349 ( -0.355 -2.068 -1.521) 2.591 3.378 ( -1.346 -0.642 -1.034) 1.815 3.468 ( -3.634 0.648 -1.080) 3.846 3.509 ( -1.170 2.256 0.575) 2.605 3.539 ( -1.644 4.718 0.689) 5.044 3.687 ( -0.841 -1.132 -0.363) 1.456 3.769 ( -0.816 -0.115 1.373) 1.601 3.842 ( 0.257 -3.616 -1.047) 3.773 3.958 ( -2.157 -0.721 1.583) 2.771 4.084 ( -0.340 3.263 -0.307) 3.295 4.295 ( -8.948 13.646 3.396) 16.668 4.436 ( -0.726 6.048 1.655) 6.312 4.754 ( 4.905 -3.333 -0.731) 5.975 5.157 ( 12.684 -4.862 -3.171) 13.950 5.381 ( -8.380 -7.650 2.830) 11.694 5.619 ( 0.044 -4.966 1.975) 5.344 ======================= Grid point 154 (67/84) ======================= q-point: ( 0.33 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -2.312 12.736 6.112) 14.314 0.679 ( 3.833 9.857 6.551) 12.440 0.714 ( 6.914 6.407 -2.039) 9.645 0.854 ( 3.388 2.480 -0.330) 4.212 0.894 ( 5.134 0.999 -1.164) 5.358 1.101 ( 0.173 5.544 -3.355) 6.482 1.293 ( -0.820 -2.354 3.093) 3.972 1.330 ( -3.068 0.351 3.370) 4.571 1.441 ( -1.465 3.013 -0.966) 3.487 1.529 ( 2.170 2.366 -2.851) 4.294 1.649 ( 2.344 2.610 -5.152) 6.233 1.700 ( -0.702 6.910 -0.062) 6.946 1.738 ( 1.586 5.528 -4.017) 7.015 1.771 ( -0.529 6.586 -1.602) 6.799 1.994 ( -4.369 3.130 9.108) 10.575 2.235 ( 0.073 -0.359 0.305) 0.476 2.267 ( -1.672 -0.356 0.271) 1.730 2.383 ( -0.536 4.038 -0.257) 4.081 2.492 ( -0.221 -0.273 0.467) 0.584 2.534 ( 1.593 -1.233 -0.912) 2.211 2.987 ( 0.555 -2.629 -1.256) 2.966 3.146 ( -1.037 -1.588 -0.946) 2.120 3.182 ( -1.866 -3.733 3.349) 5.351 3.201 ( -2.039 -3.558 -2.675) 4.896 3.254 ( 0.067 -2.178 -0.497) 2.234 3.280 ( 0.193 1.051 0.286) 1.107 3.341 ( -0.674 -0.464 -0.045) 0.819 3.360 ( 0.753 -1.855 -0.592) 2.088 3.437 ( -0.155 -0.543 -0.498) 0.753 3.467 ( -2.386 1.920 0.760) 3.155 3.511 ( -1.100 2.596 -0.331) 2.839 3.675 ( -0.251 0.828 -1.030) 1.345 3.775 ( 1.104 -1.155 0.141) 1.604 3.839 ( -0.465 -3.790 -0.346) 3.834 3.912 ( -1.903 -0.070 1.917) 2.702 4.078 ( -0.178 3.325 -0.270) 3.341 4.149 ( -4.400 12.837 3.146) 13.930 4.439 ( 0.392 3.929 0.409) 3.970 4.877 ( 5.164 -4.113 -1.571) 6.786 5.216 ( -5.155 -4.708 5.304) 8.768 5.381 ( 7.268 -6.894 -4.287) 10.896 5.583 ( -2.950 -3.864 0.954) 4.954 ======================= Grid point 155 (68/84) ======================= q-point: ( 0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -0.000 17.152 0.000) 17.152 0.699 ( -0.000 17.337 0.000) 17.337 0.825 ( 0.000 4.538 0.000) 4.538 0.910 ( -0.000 -0.600 -0.000) 0.600 0.933 ( -0.000 -2.257 0.000) 2.257 1.124 ( -0.000 -0.267 0.000) 0.267 1.222 ( -0.000 3.400 0.000) 3.400 1.332 ( -0.000 -1.866 -0.000) 1.866 1.421 ( -0.000 2.193 0.000) 2.193 1.552 ( -0.000 1.871 -0.000) 1.871 1.677 ( -0.000 4.418 -0.000) 4.418 1.690 ( -0.000 5.058 -0.000) 5.058 1.763 ( -0.000 10.093 -0.000) 10.093 1.766 ( -0.000 5.031 0.000) 5.031 1.943 ( -0.000 2.828 0.000) 2.828 2.241 ( -0.000 -1.762 -0.000) 1.762 2.242 ( 0.000 0.056 0.000) 0.056 2.377 ( -0.000 4.870 -0.000) 4.870 2.489 ( -0.000 0.079 0.000) 0.079 2.551 ( -0.000 -1.167 0.000) 1.167 2.994 ( -0.000 -0.789 -0.000) 0.789 3.107 ( -0.000 -2.812 -0.000) 2.812 3.172 ( -0.000 -2.902 0.000) 2.902 3.177 ( -0.000 -3.939 -0.000) 3.939 3.253 ( -0.000 -0.610 -0.000) 0.610 3.311 ( 0.000 0.094 0.000) 0.094 3.321 ( -0.000 -0.350 0.000) 0.350 3.376 ( -0.000 -2.384 -0.000) 2.384 3.430 ( -0.000 3.300 0.000) 3.300 3.440 ( -0.000 -1.497 -0.000) 1.497 3.498 ( -0.000 0.511 0.000) 0.511 3.673 ( -0.000 1.558 0.000) 1.558 3.794 ( -0.000 -1.850 0.000) 1.850 3.829 ( -0.000 -3.854 0.000) 3.854 3.891 ( -0.000 0.364 -0.000) 0.364 4.077 ( -0.000 3.363 0.000) 3.363 4.105 ( -0.000 11.873 0.000) 11.873 4.444 ( -0.000 3.647 0.000) 3.647 4.937 ( -0.000 -4.743 -0.000) 4.743 5.157 ( -0.000 -4.760 0.000) 4.760 5.503 ( 0.000 -1.285 -0.000) 1.285 5.505 ( -0.000 -8.222 0.000) 8.222 ======================= Grid point 159 (69/84) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 6.643 -0.000) 6.643 0.580 ( 0.000 3.704 0.000) 3.704 0.637 ( -0.000 13.398 0.000) 13.398 0.783 ( 0.000 9.994 0.000) 9.994 1.127 ( 0.000 0.113 0.000) 0.113 1.150 ( -0.000 0.405 -0.000) 0.405 1.388 ( 0.000 12.922 -0.000) 12.922 1.411 ( -0.000 2.769 0.000) 2.769 1.533 ( 0.000 -1.104 -0.000) 1.104 1.534 ( -0.000 11.152 0.000) 11.152 1.678 ( -0.000 -0.219 0.000) 0.219 1.748 ( 0.000 7.321 -0.000) 7.321 1.891 ( 0.000 7.398 0.000) 7.398 1.967 ( 0.000 9.614 -0.000) 9.614 2.232 ( -0.000 3.726 0.000) 3.726 2.282 ( 0.000 1.948 -0.000) 1.948 2.325 ( 0.000 -0.637 0.000) 0.637 2.394 ( 0.000 0.642 0.000) 0.642 2.417 ( 0.000 1.172 -0.000) 1.172 2.471 ( 0.000 -2.149 0.000) 2.149 2.922 ( 0.000 -0.677 0.000) 0.677 3.044 ( 0.000 -2.803 0.000) 2.803 3.142 ( 0.000 -2.930 0.000) 2.930 3.164 ( 0.000 -6.404 0.000) 6.404 3.237 ( 0.000 -1.870 0.000) 1.870 3.266 ( 0.000 -3.403 0.000) 3.403 3.303 ( 0.000 -1.040 0.000) 1.040 3.386 ( 0.000 -0.509 0.000) 0.509 3.498 ( 0.000 -2.626 0.000) 2.626 3.571 ( -0.000 -0.540 0.000) 0.540 3.610 ( 0.000 4.250 0.000) 4.250 3.653 ( -0.000 -2.878 0.000) 2.878 3.769 ( 0.000 -2.592 0.000) 2.592 3.820 ( -0.000 1.769 0.000) 1.769 3.961 ( 0.000 -0.832 0.000) 0.832 4.126 ( 0.000 1.097 0.000) 1.097 4.539 ( -0.000 5.942 0.000) 5.942 4.585 ( 0.000 -0.684 0.000) 0.684 4.762 ( 0.000 -7.742 0.000) 7.742 4.811 ( -0.000 2.828 0.000) 2.828 5.355 ( 0.000 -8.906 0.000) 8.906 5.453 ( -0.000 -5.584 0.000) 5.584 ======================= Grid point 161 (70/84) ======================= q-point: ( 0.17 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 2.481 6.919 -0.215) 7.354 0.656 ( 5.322 6.127 -1.106) 8.191 0.674 ( 4.283 9.537 -0.712) 10.479 0.837 ( 3.863 7.032 -2.650) 8.450 1.113 ( -1.500 3.291 1.541) 3.931 1.162 ( 0.547 0.112 0.994) 1.140 1.317 ( -2.729 10.898 7.931) 13.751 1.400 ( -3.215 -0.442 2.992) 4.414 1.519 ( 1.195 3.105 -2.271) 4.028 1.616 ( -2.915 1.931 4.443) 5.654 1.654 ( 5.472 9.474 -9.115) 14.240 1.781 ( 2.178 4.995 -5.861) 8.003 1.871 ( -1.524 7.284 0.602) 7.466 1.971 ( 0.619 10.212 -2.251) 10.476 2.170 ( -4.583 4.045 6.028) 8.585 2.266 ( -1.191 2.625 1.927) 3.467 2.300 ( -1.959 -0.877 -0.008) 2.146 2.425 ( 1.921 1.085 -0.041) 2.206 2.461 ( 2.793 0.193 -2.784) 3.948 2.480 ( 0.949 -0.654 0.438) 1.233 2.927 ( 0.551 -0.975 -1.709) 2.044 3.067 ( 1.906 -3.254 0.884) 3.873 3.139 ( -0.891 -3.420 2.953) 4.605 3.149 ( -0.789 -5.311 -0.804) 5.429 3.223 ( -0.833 -2.269 1.037) 2.630 3.270 ( -0.942 -4.772 -4.310) 6.499 3.289 ( -0.438 -0.561 -0.013) 0.712 3.374 ( -1.114 -0.416 0.885) 1.483 3.460 ( -2.484 -1.349 -0.239) 2.837 3.538 ( -2.366 0.114 0.790) 2.497 3.610 ( -0.654 3.168 0.926) 3.364 3.660 ( 0.635 -2.026 -1.100) 2.391 3.759 ( -0.700 -1.829 0.207) 1.970 3.811 ( -0.653 1.073 -0.448) 1.333 3.947 ( -1.186 -0.028 0.169) 1.199 4.129 ( 0.229 1.596 -0.125) 1.618 4.509 ( -2.783 6.901 -0.876) 7.492 4.567 ( -6.667 4.954 3.075) 8.857 4.670 ( 5.020 -4.336 -0.770) 6.678 5.014 ( 9.433 -8.750 -5.497) 13.991 5.234 ( -7.024 -6.282 5.373) 10.848 5.506 ( 1.527 -6.089 0.460) 6.295 ======================= Grid point 162 (71/84) ======================= q-point: ( 0.33 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 3.311 13.488 -0.505) 13.898 0.761 ( 6.762 4.686 -2.584) 8.623 0.819 ( 7.037 2.632 0.375) 7.522 0.910 ( 3.135 3.185 -2.282) 5.018 1.063 ( -3.152 7.955 2.826) 9.011 1.143 ( -2.903 -0.581 0.525) 3.007 1.294 ( -1.534 5.178 5.252) 7.533 1.331 ( -1.709 0.581 1.174) 2.153 1.521 ( -1.621 4.260 0.143) 4.560 1.568 ( 0.399 0.330 1.837) 1.908 1.763 ( 3.117 8.791 -5.783) 10.974 1.805 ( -0.424 4.771 -1.095) 4.913 1.865 ( 2.452 8.119 -5.888) 10.325 1.997 ( 1.821 11.907 -3.181) 12.459 2.078 ( -4.031 4.979 7.714) 10.028 2.239 ( -1.358 1.746 3.097) 3.806 2.253 ( -2.209 -1.130 -0.421) 2.517 2.460 ( 1.307 2.355 -0.418) 2.725 2.485 ( 0.283 0.550 0.538) 0.819 2.517 ( 1.523 -0.179 -1.065) 1.867 2.947 ( 1.426 -1.384 -2.424) 3.134 3.095 ( -1.093 -4.371 4.629) 6.459 3.113 ( 0.238 -2.258 0.813) 2.412 3.127 ( -2.157 -3.385 -3.400) 5.260 3.201 ( -0.513 -3.319 0.147) 3.361 3.241 ( -0.404 -6.092 -1.449) 6.275 3.299 ( 0.954 -0.142 -0.313) 1.014 3.349 ( -1.102 -0.114 0.715) 1.318 3.423 ( -1.163 -0.689 0.215) 1.369 3.489 ( -2.051 0.080 0.552) 2.126 3.585 ( -1.291 3.756 0.336) 3.985 3.672 ( 0.387 -2.303 -0.834) 2.480 3.751 ( -0.043 -1.767 0.095) 1.770 3.797 ( -0.587 0.763 -0.331) 1.018 3.921 ( -1.073 1.132 0.112) 1.564 4.133 ( 0.160 2.358 -0.102) 2.366 4.394 ( -4.779 10.142 0.937) 11.250 4.530 ( 0.000 4.439 -0.097) 4.441 4.772 ( 3.856 -5.898 -1.164) 7.142 5.067 ( -3.769 -10.407 1.283) 11.143 5.227 ( 6.065 -7.175 0.329) 9.401 5.500 ( -1.705 -4.370 0.205) 4.695 ======================= Grid point 163 (72/84) ======================= q-point: ( 0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 17.450 -0.000) 17.450 0.885 ( 0.000 -2.284 -0.000) 2.284 0.916 ( -0.000 1.098 -0.000) 1.098 0.942 ( -0.000 6.217 0.000) 6.217 1.012 ( -0.000 10.951 0.000) 10.951 1.078 ( -0.000 -3.516 0.000) 3.516 1.253 ( -0.000 1.902 0.000) 1.902 1.331 ( -0.000 2.212 -0.000) 2.212 1.503 ( -0.000 5.421 0.000) 5.421 1.580 ( -0.000 -0.086 0.000) 0.086 1.786 ( -0.000 7.272 -0.000) 7.272 1.794 ( -0.000 5.182 -0.000) 5.182 1.917 ( -0.000 9.459 -0.000) 9.459 2.018 ( -0.000 9.600 0.000) 9.600 2.028 ( -0.000 8.876 0.000) 8.876 2.221 ( -0.000 -2.077 -0.000) 2.077 2.227 ( -0.000 0.964 0.000) 0.964 2.477 ( -0.000 4.806 0.000) 4.806 2.485 ( -0.000 -0.613 0.000) 0.613 2.533 ( -0.000 -0.490 0.000) 0.490 2.971 ( -0.000 -1.485 -0.000) 1.485 3.060 ( -0.000 -2.136 0.000) 2.136 3.099 ( -0.000 -3.762 -0.000) 3.762 3.121 ( -0.000 -1.913 0.000) 1.913 3.207 ( -0.000 -3.158 0.000) 3.158 3.236 ( -0.000 -8.423 0.000) 8.423 3.322 ( -0.000 -0.499 0.000) 0.499 3.328 ( -0.000 0.743 -0.000) 0.743 3.409 ( -0.000 -0.943 0.000) 0.943 3.465 ( -0.000 0.384 -0.000) 0.384 3.570 ( -0.000 4.185 -0.000) 4.185 3.676 ( -0.000 -2.746 0.000) 2.746 3.752 ( -0.000 -2.218 -0.000) 2.218 3.790 ( -0.000 0.978 0.000) 0.978 3.909 ( -0.000 1.587 -0.000) 1.587 4.135 ( -0.000 2.626 0.000) 2.626 4.343 ( -0.000 10.736 0.000) 10.736 4.531 ( -0.000 4.424 0.000) 4.424 4.815 ( -0.000 -6.972 -0.000) 6.972 5.020 ( -0.000 -8.986 0.000) 8.986 5.310 ( -0.000 -10.101 0.000) 10.101 5.467 ( -0.000 -2.385 0.000) 2.385 ======================= Grid point 167 (73/84) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 0.621 -0.000) 0.621 0.675 ( 0.000 4.019 0.000) 4.019 0.930 ( 0.000 14.095 0.000) 14.095 0.980 ( -0.000 9.503 0.000) 9.503 1.070 ( 0.000 -3.082 0.000) 3.082 1.168 ( 0.000 2.324 0.000) 2.324 1.395 ( -0.000 -2.388 0.000) 2.388 1.538 ( 0.000 1.025 0.000) 1.025 1.576 ( 0.000 1.539 0.000) 1.539 1.742 ( 0.000 10.188 -0.000) 10.188 1.787 ( -0.000 8.233 0.000) 8.233 1.886 ( 0.000 9.340 0.000) 9.340 2.040 ( 0.000 6.528 0.000) 6.528 2.110 ( 0.000 4.410 -0.000) 4.410 2.283 ( 0.000 -0.793 -0.000) 0.793 2.289 ( -0.000 1.765 0.000) 1.765 2.302 ( 0.000 -1.214 0.000) 1.214 2.421 ( -0.000 -1.358 0.000) 1.358 2.461 ( 0.000 2.004 0.000) 2.004 2.506 ( 0.000 8.900 0.000) 8.900 2.933 ( 0.000 1.064 0.000) 1.064 2.988 ( 0.000 -2.451 0.000) 2.451 3.030 ( 0.000 -6.792 0.000) 6.792 3.098 ( 0.000 -1.553 0.000) 1.553 3.183 ( 0.000 -4.413 -0.000) 4.413 3.200 ( -0.000 -2.086 0.000) 2.086 3.277 ( 0.000 -1.647 0.000) 1.647 3.364 ( 0.000 -2.218 0.000) 2.218 3.421 ( 0.000 -3.978 0.000) 3.978 3.570 ( 0.000 0.219 0.000) 0.219 3.580 ( -0.000 -4.454 0.000) 4.454 3.676 ( 0.000 1.744 0.000) 1.744 3.732 ( 0.000 -0.725 0.000) 0.725 3.845 ( 0.000 0.520 0.000) 0.520 3.971 ( 0.000 2.144 0.000) 2.144 4.157 ( 0.000 2.567 0.000) 2.567 4.525 ( 0.000 -4.052 0.000) 4.052 4.557 ( 0.000 -5.621 0.000) 5.621 4.662 ( 0.000 -0.055 0.000) 0.055 4.849 ( -0.000 0.648 0.000) 0.648 5.212 ( 0.000 -5.757 0.000) 5.757 5.336 ( -0.000 -6.259 0.000) 6.259 ======================= Grid point 169 (74/84) ======================= q-point: ( 0.17 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 1.636 2.993 3.581) 4.945 0.694 ( 5.461 0.548 -2.771) 6.148 0.921 ( 0.293 11.178 -1.573) 11.292 0.992 ( 1.051 5.559 -2.083) 6.029 1.094 ( 1.181 0.765 -1.717) 2.220 1.185 ( 1.106 3.406 0.427) 3.607 1.375 ( -2.049 -1.674 2.318) 3.517 1.514 ( -2.064 2.651 1.711) 3.770 1.567 ( -0.647 1.110 2.814) 3.094 1.674 ( -3.290 9.475 5.379) 11.381 1.848 ( 2.167 4.591 -5.429) 7.433 1.919 ( 3.450 11.328 -5.530) 13.069 2.014 ( -1.859 5.889 1.431) 6.339 2.115 ( 0.578 4.155 -2.045) 4.667 2.240 ( -3.284 2.724 3.405) 5.459 2.274 ( -0.931 -0.301 -2.790) 2.956 2.326 ( 1.145 1.099 2.827) 3.242 2.424 ( 0.451 -1.051 -0.005) 1.144 2.489 ( 2.010 1.549 -0.398) 2.569 2.525 ( 1.464 6.892 0.185) 7.049 2.922 ( -0.578 -0.311 -1.543) 1.677 3.001 ( 1.088 -2.860 2.408) 3.894 3.031 ( -0.127 -5.475 0.249) 5.482 3.101 ( 0.191 -1.192 0.280) 1.239 3.166 ( -1.279 -4.423 -1.248) 4.771 3.180 ( -2.299 -3.248 -0.914) 4.083 3.269 ( 0.248 -1.263 -0.953) 1.602 3.358 ( -0.574 -1.420 1.311) 2.016 3.417 ( -0.477 -2.568 -0.037) 2.612 3.525 ( -2.435 -1.463 0.326) 2.859 3.608 ( 0.810 -2.590 0.180) 2.720 3.666 ( -0.831 1.820 0.949) 2.214 3.729 ( -0.279 -0.538 -0.196) 0.637 3.838 ( -0.492 0.976 -0.368) 1.153 3.968 ( -0.237 2.400 -1.050) 2.630 4.167 ( 0.762 2.591 0.358) 2.724 4.532 ( -1.461 -5.194 0.054) 5.396 4.561 ( 1.755 -2.152 0.292) 2.793 4.654 ( 0.220 0.696 1.265) 1.461 4.876 ( 1.350 -4.158 -5.489) 7.017 5.135 ( -4.183 -3.884 4.455) 7.241 5.383 ( 2.320 -6.394 -0.246) 6.806 ======================= Grid point 170 (75/84) ======================= q-point: ( 0.33 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.525 0.279 1.629) 4.817 0.818 ( 5.256 -1.941 -1.466) 5.792 0.959 ( 2.618 2.888 -2.743) 4.767 1.008 ( 0.551 9.152 -2.270) 9.446 1.109 ( 0.573 2.551 -1.792) 3.169 1.179 ( -2.117 5.634 2.887) 6.675 1.315 ( -3.313 -0.573 2.836) 4.399 1.467 ( -2.045 4.764 2.372) 5.701 1.558 ( -0.107 -0.624 1.551) 1.675 1.637 ( -0.475 9.236 1.001) 9.302 1.875 ( 0.930 3.586 -3.367) 5.006 1.945 ( -1.472 6.977 1.758) 7.344 2.031 ( 3.714 7.521 -6.966) 10.904 2.136 ( 1.474 2.699 -2.059) 3.701 2.174 ( -2.899 4.323 5.282) 7.416 2.236 ( -2.540 0.132 -0.071) 2.544 2.341 ( 0.288 6.026 1.136) 6.139 2.445 ( 1.261 -1.595 -0.030) 2.033 2.522 ( 0.954 0.580 -0.140) 1.125 2.553 ( 1.016 5.120 0.261) 5.227 2.922 ( 0.655 -1.670 -2.073) 2.741 3.018 ( -0.377 -3.458 3.082) 4.647 3.031 ( 0.812 -4.083 1.242) 4.344 3.095 ( -1.227 -1.476 -0.881) 2.112 3.113 ( -2.221 -4.788 -3.336) 6.244 3.155 ( -0.310 -2.545 0.979) 2.745 3.292 ( 1.668 -0.501 -0.963) 1.990 3.345 ( -0.652 -0.414 1.104) 1.347 3.400 ( -1.089 -1.564 0.604) 1.999 3.480 ( -1.613 -0.801 0.031) 1.801 3.610 ( -0.385 -2.920 0.541) 2.994 3.648 ( -0.725 2.287 0.310) 2.419 3.722 ( -0.273 -0.518 -0.194) 0.616 3.829 ( -0.323 1.470 -0.232) 1.523 3.961 ( -0.344 2.997 -0.863) 3.137 4.183 ( 0.621 2.823 0.250) 2.901 4.490 ( -1.703 -0.963 -0.070) 1.958 4.590 ( 0.640 0.881 -0.286) 1.126 4.684 ( 1.857 -2.336 0.393) 3.010 4.854 ( -2.770 -9.085 -1.867) 9.680 5.115 ( 1.695 -4.381 2.165) 5.172 5.408 ( 0.201 -5.079 -0.078) 5.083 ======================= Grid point 171 (76/84) ======================= q-point: ( 0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.000 -3.597 0.000) 3.597 0.905 ( -0.000 -2.509 -0.000) 2.509 0.951 ( -0.000 -2.537 -0.000) 2.537 1.036 ( -0.000 11.829 -0.000) 11.829 1.127 ( 0.000 10.014 -0.000) 10.014 1.129 ( -0.000 3.089 0.000) 3.089 1.269 ( -0.000 -0.611 0.000) 0.611 1.445 ( -0.000 5.636 0.000) 5.636 1.560 ( -0.000 -1.371 0.000) 1.371 1.635 ( -0.000 8.721 0.000) 8.721 1.885 ( -0.000 3.934 0.000) 3.934 1.925 ( -0.000 5.857 0.000) 5.857 2.091 ( 0.000 6.694 -0.000) 6.694 2.125 ( -0.000 4.667 0.000) 4.667 2.171 ( -0.000 2.406 0.000) 2.406 2.189 ( 0.000 -0.237 -0.000) 0.237 2.344 ( -0.000 8.396 -0.000) 8.396 2.461 ( -0.000 -1.750 0.000) 1.750 2.531 ( -0.000 0.247 0.000) 0.247 2.564 ( -0.000 4.702 -0.000) 4.702 2.935 ( -0.000 -2.462 -0.000) 2.462 3.016 ( -0.000 -2.387 0.000) 2.387 3.031 ( -0.000 -3.080 -0.000) 3.080 3.084 ( -0.642 -5.336 -0.499) 5.397 3.084 ( 0.642 -2.922 0.499) 3.033 3.153 ( -0.000 -1.678 0.000) 1.678 3.325 ( -0.000 0.661 0.000) 0.661 3.329 ( 0.000 -0.633 -0.000) 0.633 3.384 ( -0.000 -1.645 0.000) 1.645 3.462 ( -0.000 -0.382 -0.000) 0.382 3.605 ( -0.000 -3.166 0.000) 3.166 3.640 ( -0.000 2.569 -0.000) 2.569 3.719 ( -0.000 -0.636 0.000) 0.636 3.825 ( -0.000 1.623 0.000) 1.623 3.956 ( -0.000 3.300 -0.000) 3.300 4.190 ( -0.000 3.025 -0.000) 3.025 4.472 ( -0.000 0.992 0.000) 0.992 4.595 ( -0.000 1.579 0.000) 1.579 4.706 ( -0.000 -2.423 0.000) 2.423 4.815 ( -0.000 -10.738 -0.000) 10.738 5.144 ( -0.000 -6.378 0.000) 6.378 5.406 ( -0.000 -3.954 0.000) 3.954 ======================= Grid point 175 (77/84) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 -0.722 0.000) 0.722 0.721 ( 0.000 0.284 0.000) 0.284 0.949 ( 0.000 -3.306 0.000) 3.306 1.143 ( 0.000 5.159 -0.000) 5.159 1.201 ( 0.000 0.280 -0.000) 0.280 1.271 ( -0.000 15.224 0.000) 15.224 1.371 ( 0.000 2.061 0.000) 2.061 1.511 ( -0.000 -3.484 0.000) 3.484 1.595 ( 0.000 1.227 0.000) 1.227 1.868 ( -0.000 2.203 0.000) 2.203 1.952 ( 0.000 9.050 -0.000) 9.050 2.040 ( 0.000 0.173 0.000) 0.173 2.114 ( 0.000 4.046 0.000) 4.046 2.135 ( 0.000 -1.599 0.000) 1.599 2.279 ( -0.000 1.019 0.000) 1.019 2.320 ( -0.000 3.000 -0.000) 3.000 2.331 ( 0.000 2.494 0.000) 2.494 2.381 ( -0.000 -2.112 0.000) 2.112 2.534 ( 0.000 4.919 0.000) 4.919 2.670 ( 0.000 6.686 0.000) 6.686 2.908 ( -0.000 -5.134 0.000) 5.134 2.916 ( 0.000 -2.002 -0.000) 2.002 2.987 ( 0.000 1.510 0.000) 1.510 3.076 ( -0.000 -0.963 0.000) 0.963 3.107 ( 0.000 -3.035 0.000) 3.035 3.148 ( -0.000 -3.176 0.000) 3.176 3.244 ( 0.000 -1.527 0.000) 1.527 3.285 ( 0.000 -4.432 0.000) 4.432 3.382 ( 0.000 -0.658 0.000) 0.658 3.488 ( -0.000 -4.545 0.000) 4.545 3.578 ( 0.000 0.596 0.000) 0.596 3.666 ( 0.000 -1.776 0.000) 1.776 3.748 ( 0.000 1.392 0.000) 1.392 3.837 ( 0.000 -1.193 0.000) 1.193 4.049 ( 0.000 5.552 0.000) 5.552 4.226 ( 0.000 3.651 0.000) 3.651 4.447 ( 0.000 -3.946 0.000) 3.946 4.450 ( -0.000 -3.125 -0.000) 3.125 4.666 ( 0.000 -0.028 0.000) 0.028 4.840 ( -0.000 -1.552 0.000) 1.552 5.122 ( 0.000 -3.444 0.000) 3.444 5.208 ( 0.000 -6.390 0.000) 6.390 ======================= Grid point 177 (78/84) ======================= q-point: ( 0.17 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 3.549 -1.764 1.204) 4.142 0.732 ( 1.224 0.449 -0.560) 1.419 0.939 ( -0.952 -3.612 -0.179) 3.739 1.111 ( -1.472 6.410 1.165) 6.679 1.176 ( -1.034 -0.181 -0.209) 1.070 1.338 ( 3.355 10.982 -4.325) 12.271 1.374 ( 0.410 4.728 0.638) 4.789 1.487 ( -1.925 -3.866 1.263) 4.500 1.583 ( -1.166 1.011 2.055) 2.569 1.856 ( -0.833 5.383 0.724) 5.495 1.947 ( -0.305 6.868 -0.145) 6.877 2.050 ( -0.086 -1.723 -1.077) 2.034 2.103 ( 0.091 5.102 -0.591) 5.137 2.145 ( 0.675 -0.340 -1.305) 1.508 2.278 ( -0.911 0.414 0.675) 1.207 2.292 ( -1.325 2.727 -1.604) 3.430 2.343 ( 0.846 1.594 1.949) 2.655 2.398 ( 1.359 -1.433 0.032) 1.975 2.539 ( 0.316 3.702 0.152) 3.718 2.676 ( 0.385 6.508 0.871) 6.577 2.880 ( -1.266 -3.230 0.418) 3.494 2.939 ( 1.077 -3.179 0.128) 3.359 2.988 ( 0.056 0.634 0.132) 0.651 3.083 ( -1.101 -3.002 -1.903) 3.721 3.085 ( -0.779 -1.298 -0.946) 1.785 3.123 ( -1.269 -2.437 1.215) 3.004 3.245 ( 0.912 -1.069 -1.140) 1.809 3.311 ( 1.355 -2.924 1.135) 3.417 3.384 ( 0.052 -0.677 0.344) 0.761 3.473 ( -1.043 -3.405 -0.146) 3.564 3.584 ( 0.258 0.129 0.581) 0.648 3.666 ( -0.004 -1.227 0.563) 1.350 3.745 ( -0.217 1.520 0.087) 1.538 3.840 ( 0.202 -0.820 -0.857) 1.203 4.047 ( -0.189 5.444 -0.736) 5.497 4.228 ( 0.180 2.896 0.734) 2.993 4.441 ( -0.484 -3.349 -0.429) 3.411 4.476 ( 2.091 -4.603 0.896) 5.135 4.662 ( -0.262 0.238 0.076) 0.362 4.823 ( -1.751 -2.248 -3.098) 4.209 5.077 ( -2.392 -1.925 3.061) 4.335 5.252 ( 2.604 -6.747 -0.633) 7.260 ======================= Grid point 178 (79/84) ======================= q-point: ( 0.33 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.546 -2.648 2.076) 3.703 0.784 ( 3.258 -1.572 -1.493) 3.913 0.916 ( -1.025 -3.310 0.347) 3.482 1.111 ( 0.672 -0.263 -1.601) 1.757 1.158 ( -0.248 1.761 0.171) 1.786 1.340 ( -1.996 4.107 2.737) 5.324 1.407 ( 1.327 14.320 -3.430) 14.785 1.460 ( -0.040 -3.142 0.312) 3.158 1.554 ( -1.284 -0.111 1.355) 1.870 1.839 ( -0.821 8.731 1.910) 8.975 1.949 ( 0.615 4.326 -2.213) 4.898 2.021 ( -1.815 0.765 1.273) 2.345 2.130 ( 1.867 1.846 -3.592) 4.449 2.164 ( 1.165 0.630 -0.972) 1.643 2.242 ( -1.980 2.788 2.847) 4.450 2.254 ( -2.551 0.930 0.252) 2.727 2.380 ( 2.240 -0.726 -0.548) 2.417 2.424 ( 0.738 -1.135 0.286) 1.384 2.545 ( 0.187 2.148 0.172) 2.163 2.683 ( 0.213 6.079 0.869) 6.145 2.864 ( -0.254 -3.233 0.051) 3.243 2.958 ( 0.672 -2.507 0.490) 2.641 2.991 ( 0.272 -0.384 1.315) 1.397 3.040 ( -1.708 -2.313 -2.734) 3.968 3.056 ( -1.886 -2.096 -0.624) 2.888 3.125 ( 0.592 -1.078 0.307) 1.267 3.281 ( 2.175 -0.510 -0.957) 2.430 3.331 ( 0.580 -1.068 0.743) 1.424 3.376 ( -0.841 -0.324 0.879) 1.259 3.454 ( -0.629 -1.884 -0.154) 1.992 3.583 ( -0.342 0.307 0.717) 0.852 3.664 ( -0.244 -0.446 0.183) 0.540 3.741 ( -0.136 1.983 0.018) 1.988 3.842 ( 0.024 -0.211 -0.530) 0.571 4.043 ( -0.137 5.261 -0.761) 5.318 4.236 ( 0.545 1.953 0.597) 2.113 4.427 ( -0.747 -3.424 -0.347) 3.522 4.525 ( 2.058 -6.411 0.871) 6.790 4.662 ( 0.466 0.233 -0.000) 0.521 4.762 ( -3.477 -1.639 -2.244) 4.451 5.055 ( -0.002 -1.522 1.872) 2.413 5.294 ( 1.281 -6.474 -0.245) 6.604 ======================= Grid point 179 (80/84) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -0.000 -3.485 0.000) 3.485 0.832 ( -0.000 -4.296 -0.000) 4.296 0.897 ( -0.000 -1.868 -0.000) 1.868 1.109 ( 0.000 -5.328 -0.000) 5.328 1.173 ( -0.000 4.313 0.000) 4.313 1.305 ( -0.000 4.273 0.000) 4.273 1.419 ( -0.000 16.152 -0.000) 16.152 1.466 ( -0.000 -2.376 0.000) 2.376 1.539 ( -0.000 -0.786 0.000) 0.786 1.829 ( -0.000 9.123 0.000) 9.123 1.959 ( -0.000 3.769 0.000) 3.769 1.999 ( -0.000 1.747 0.000) 1.747 2.159 ( -0.000 0.376 0.000) 0.376 2.190 ( -0.000 1.578 0.000) 1.578 2.201 ( 0.000 0.652 -0.000) 0.652 2.219 ( -0.000 2.934 0.000) 2.934 2.414 ( -0.000 -0.830 0.000) 0.830 2.425 ( 0.000 -1.815 -0.000) 1.815 2.547 ( -0.000 1.707 0.000) 1.707 2.685 ( -0.000 5.857 -0.000) 5.857 2.863 ( -0.000 -3.641 0.000) 3.641 2.968 ( -0.000 -2.252 0.000) 2.252 2.993 ( -0.000 -0.844 -0.000) 0.844 3.024 ( 0.000 -0.712 0.000) 0.712 3.028 ( -0.000 -2.719 -0.000) 2.719 3.132 ( -0.000 -1.173 0.000) 1.173 3.314 ( -0.000 -0.526 0.000) 0.526 3.337 ( -0.000 -0.411 0.000) 0.411 3.359 ( -0.000 0.277 0.000) 0.277 3.448 ( -0.000 -1.241 -0.000) 1.241 3.578 ( -0.000 0.606 0.000) 0.606 3.660 ( -0.000 -0.191 -0.000) 0.191 3.739 ( -0.000 2.297 0.000) 2.297 3.842 ( -0.000 0.007 0.000) 0.007 4.041 ( -0.000 5.222 0.000) 5.222 4.245 ( -0.000 1.901 -0.000) 1.901 4.417 ( -0.000 -4.069 0.000) 4.069 4.549 ( -0.000 -6.956 0.000) 6.956 4.679 ( -0.000 -1.344 0.000) 1.344 4.708 ( -0.000 0.803 0.000) 0.803 5.059 ( -0.000 -2.185 0.000) 2.185 5.307 ( -0.000 -6.097 0.000) 6.097 ======================= Grid point 183 (81/84) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 1.636 0.000) 1.636 0.680 ( 0.000 -3.597 0.000) 3.597 0.953 ( 0.000 3.748 0.000) 3.748 1.067 ( -0.000 -6.917 0.000) 6.917 1.307 ( 0.000 6.490 -0.000) 6.490 1.423 ( -0.000 -5.204 0.000) 5.204 1.457 ( -0.000 4.854 0.000) 4.854 1.501 ( -0.000 3.711 0.000) 3.711 1.644 ( 0.000 7.488 0.000) 7.488 1.835 ( 0.000 -7.677 0.000) 7.677 2.008 ( 0.000 1.537 -0.000) 1.537 2.074 ( 0.000 -3.903 0.000) 3.903 2.088 ( 0.000 5.150 0.000) 5.150 2.159 ( -0.000 -1.328 0.000) 1.328 2.320 ( -0.000 2.602 0.000) 2.602 2.355 ( 0.000 -0.487 -0.000) 0.487 2.368 ( 0.000 1.110 0.000) 1.110 2.373 ( -0.000 1.149 0.000) 1.149 2.635 ( 0.000 4.932 0.000) 4.932 2.719 ( 0.000 -2.535 0.000) 2.535 2.863 ( 0.000 1.129 0.000) 1.129 2.889 ( 0.000 -0.897 -0.000) 0.897 3.014 ( 0.000 1.216 0.000) 1.216 3.046 ( 0.000 -2.024 0.000) 2.024 3.072 ( 0.000 -0.303 0.000) 0.303 3.091 ( -0.000 -2.012 0.000) 2.012 3.221 ( 0.000 -0.713 0.000) 0.713 3.225 ( -0.000 -1.446 -0.000) 1.446 3.382 ( 0.000 0.694 0.000) 0.694 3.414 ( -0.000 -2.700 0.000) 2.700 3.595 ( 0.000 1.203 0.000) 1.203 3.627 ( 0.000 -1.954 0.000) 1.954 3.775 ( 0.000 1.421 0.000) 1.421 3.806 ( 0.000 -1.712 0.000) 1.712 4.169 ( 0.000 5.825 0.000) 5.825 4.250 ( 0.000 -1.814 0.000) 1.814 4.410 ( 0.000 -0.887 0.000) 0.887 4.410 ( -0.000 -0.589 0.000) 0.589 4.693 ( 0.000 3.529 0.000) 3.529 4.783 ( -0.000 -4.313 0.000) 4.313 5.078 ( -0.000 -0.743 0.000) 0.743 5.104 ( 0.000 -3.528 0.000) 3.528 ======================= Grid point 185 (82/84) ======================= q-point: ( 0.17 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 2.235 0.850 -0.065) 2.392 0.697 ( 1.477 -3.213 -0.171) 3.540 0.936 ( -1.411 3.591 -0.144) 3.861 1.050 ( -1.624 -6.955 0.361) 7.151 1.271 ( -2.308 6.543 2.501) 7.375 1.391 ( -2.257 -5.489 1.369) 6.091 1.460 ( -0.101 5.109 1.440) 5.308 1.526 ( 1.129 0.182 -0.076) 1.146 1.657 ( 1.466 10.343 -4.089) 11.218 1.855 ( 1.861 -6.753 -5.124) 8.679 2.014 ( 0.389 1.369 -0.268) 1.448 2.065 ( -1.264 0.262 2.125) 2.486 2.094 ( 0.887 1.515 -0.229) 1.770 2.157 ( -0.103 -1.534 0.289) 1.564 2.307 ( -0.759 2.659 -0.235) 2.775 2.340 ( -1.780 0.980 1.081) 2.302 2.363 ( -0.927 0.371 1.476) 1.782 2.374 ( 0.692 -1.074 0.170) 1.289 2.626 ( -0.732 4.733 0.208) 4.794 2.713 ( -0.577 -3.118 0.986) 3.321 2.864 ( 0.167 2.074 0.060) 2.081 2.900 ( 0.876 -1.302 -0.790) 1.757 3.005 ( -0.729 0.927 0.711) 1.377 3.033 ( -1.243 -2.008 0.226) 2.373 3.066 ( -0.704 0.043 -1.515) 1.671 3.088 ( 0.106 -1.583 -0.261) 1.608 3.236 ( 1.788 0.428 -0.327) 1.867 3.262 ( 2.377 -1.960 0.331) 3.099 3.384 ( 0.166 0.648 0.126) 0.681 3.413 ( -0.029 -2.358 -0.160) 2.364 3.601 ( 0.472 1.411 0.534) 1.581 3.634 ( 0.579 -1.806 0.607) 1.991 3.776 ( 0.194 1.693 -0.349) 1.739 3.812 ( 0.491 -1.804 -0.859) 2.057 4.164 ( -0.386 5.686 -0.039) 5.700 4.243 ( -0.555 -1.799 0.532) 1.956 4.404 ( -0.467 -0.771 -0.440) 1.004 4.413 ( 0.042 -1.712 0.411) 1.761 4.690 ( -0.157 3.183 0.004) 3.187 4.767 ( -1.408 -3.650 -0.876) 4.009 5.067 ( -0.470 1.134 1.152) 1.684 5.129 ( 1.686 -5.125 -0.438) 5.413 ======================= Grid point 186 (83/84) ======================= q-point: ( 0.33 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 1.331 0.358 0.198) 1.393 0.733 ( 1.600 -3.201 -0.251) 3.588 0.905 ( -1.241 2.641 -0.128) 2.921 1.006 ( -2.224 -6.750 0.330) 7.114 1.246 ( -0.062 5.268 1.288) 5.424 1.351 ( -1.405 -4.925 2.493) 5.696 1.454 ( -0.336 4.456 -0.247) 4.476 1.526 ( -0.843 -2.317 1.017) 2.667 1.697 ( 1.980 13.137 -4.567) 14.048 1.895 ( 1.698 -4.874 -4.367) 6.761 2.017 ( -0.124 0.914 -0.534) 1.066 2.036 ( -1.263 1.586 3.096) 3.700 2.111 ( 0.476 0.652 -0.831) 1.158 2.162 ( 0.686 -1.943 -0.052) 2.061 2.284 ( -1.665 2.850 0.586) 3.352 2.307 ( -0.978 2.903 1.156) 3.274 2.349 ( -0.018 -1.980 0.868) 2.162 2.382 ( -0.117 -3.002 0.351) 3.025 2.612 ( -0.472 4.363 0.220) 4.394 2.700 ( -0.548 -3.770 0.949) 3.926 2.869 ( 0.250 3.061 -0.041) 3.071 2.918 ( 0.766 -1.814 -0.421) 2.014 2.988 ( -0.749 0.072 0.495) 0.901 3.004 ( -1.322 -1.560 0.246) 2.060 3.050 ( -0.531 1.563 -1.580) 2.285 3.092 ( 0.171 -2.244 -0.304) 2.271 3.283 ( 2.213 0.802 -0.238) 2.366 3.306 ( 1.522 -1.347 0.264) 2.049 3.386 ( -0.006 1.041 0.223) 1.065 3.415 ( 0.191 -1.854 -0.128) 1.868 3.609 ( 0.221 1.914 0.675) 2.041 3.644 ( 0.235 -1.435 0.517) 1.543 3.783 ( 0.426 2.168 -0.501) 2.265 3.822 ( 0.459 -1.649 -0.781) 1.882 4.156 ( -0.316 5.588 -0.036) 5.597 4.236 ( 0.039 -2.102 0.552) 2.174 4.385 ( -1.192 -0.669 -0.322) 1.404 4.415 ( 0.139 -3.841 0.198) 3.849 4.688 ( 0.030 2.212 -0.000) 2.212 4.732 ( -1.599 -1.858 -0.628) 2.530 5.065 ( 0.153 2.802 0.697) 2.891 5.161 ( 1.180 -6.443 -0.158) 6.552 ======================= Grid point 187 (84/84) ======================= q-point: ( 0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 0.545 0.000) 0.545 0.751 ( -0.000 -3.600 0.000) 3.600 0.891 ( -0.000 1.822 0.000) 1.822 0.978 ( -0.000 -6.532 -0.000) 6.532 1.252 ( -0.000 4.152 -0.000) 4.152 1.335 ( -0.000 -3.260 0.000) 3.260 1.451 ( -0.000 2.988 -0.000) 2.988 1.513 ( -0.000 -2.281 0.000) 2.281 1.720 ( -0.000 13.702 -0.000) 13.702 1.913 ( -0.000 -3.208 0.000) 3.208 2.016 ( -0.000 0.451 0.000) 0.451 2.021 ( -0.000 0.831 0.000) 0.831 2.115 ( -0.000 0.423 0.000) 0.423 2.174 ( 0.000 -2.801 -0.000) 2.801 2.263 ( -0.000 4.599 0.000) 4.599 2.293 ( -0.000 4.104 -0.000) 4.104 2.358 ( -0.000 -4.143 -0.000) 4.143 2.374 ( -0.000 -3.492 0.000) 3.492 2.607 ( -0.000 4.151 0.000) 4.151 2.694 ( -0.000 -3.945 0.000) 3.945 2.872 ( -0.000 3.388 -0.000) 3.388 2.928 ( -0.000 -2.116 0.000) 2.116 2.979 ( -0.000 -0.356 -0.000) 0.356 2.987 ( 0.000 -1.281 -0.000) 1.281 3.044 ( -0.000 2.178 0.000) 2.178 3.094 ( -0.000 -2.530 0.000) 2.530 3.312 ( 0.000 0.198 -0.000) 0.198 3.320 ( -0.000 -0.680 0.000) 0.680 3.385 ( -0.000 1.612 0.000) 1.612 3.417 ( -0.000 -1.643 -0.000) 1.643 3.611 ( -0.000 2.160 0.000) 2.160 3.646 ( -0.000 -1.216 -0.000) 1.216 3.789 ( -0.000 2.414 -0.000) 2.414 3.828 ( -0.000 -1.399 0.000) 1.399 4.152 ( -0.000 5.598 0.000) 5.598 4.240 ( -0.000 -2.634 0.000) 2.634 4.368 ( -0.000 -0.245 0.000) 0.245 4.417 ( -0.000 -5.063 0.000) 5.063 4.691 ( -0.000 1.338 -0.000) 1.338 4.711 ( -0.000 -0.489 0.000) 0.489 5.068 ( -0.000 3.239 0.000) 3.239 5.174 ( -0.000 -6.795 0.000) 6.795 =================== 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 3/11088 10.0 11.007 26.838 13.456 0.000 -7.565 0.000 3/11088 20.0 4.621 12.329 5.698 0.000 -3.162 0.000 3/11088 30.0 2.713 7.429 3.378 0.000 -1.851 0.000 3/11088 40.0 1.898 5.227 2.368 0.000 -1.284 0.000 3/11088 50.0 1.465 4.036 1.822 0.000 -0.980 0.000 3/11088 60.0 1.199 3.301 1.485 0.000 -0.793 0.000 3/11088 70.0 1.019 2.803 1.256 0.000 -0.667 0.000 3/11088 80.0 0.889 2.441 1.090 0.000 -0.577 0.000 3/11088 90.0 0.789 2.165 0.964 0.000 -0.508 0.000 3/11088 100.0 0.710 1.947 0.865 0.000 -0.455 0.000 3/11088 110.0 0.646 1.770 0.785 0.000 -0.412 0.000 3/11088 120.0 0.593 1.623 0.718 0.000 -0.376 0.000 3/11088 130.0 0.548 1.498 0.662 0.000 -0.347 0.000 3/11088 140.0 0.509 1.392 0.615 0.000 -0.321 0.000 3/11088 150.0 0.476 1.300 0.573 0.000 -0.299 0.000 3/11088 160.0 0.446 1.219 0.537 0.000 -0.280 0.000 3/11088 170.0 0.420 1.148 0.505 0.000 -0.264 0.000 3/11088 180.0 0.397 1.085 0.477 0.000 -0.249 0.000 3/11088 190.0 0.376 1.028 0.452 0.000 -0.236 0.000 3/11088 200.0 0.358 0.977 0.429 0.000 -0.224 0.000 3/11088 210.0 0.341 0.931 0.409 0.000 -0.213 0.000 3/11088 220.0 0.326 0.889 0.390 0.000 -0.203 0.000 3/11088 230.0 0.312 0.850 0.373 0.000 -0.194 0.000 3/11088 240.0 0.299 0.815 0.358 0.000 -0.186 0.000 3/11088 250.0 0.287 0.783 0.343 0.000 -0.179 0.000 3/11088 260.0 0.276 0.753 0.330 0.000 -0.172 0.000 3/11088 270.0 0.266 0.725 0.318 0.000 -0.165 0.000 3/11088 280.0 0.256 0.699 0.307 0.000 -0.159 0.000 3/11088 290.0 0.248 0.675 0.296 0.000 -0.154 0.000 3/11088 300.0 0.239 0.653 0.286 0.000 -0.149 0.000 3/11088 310.0 0.232 0.632 0.277 0.000 -0.144 0.000 3/11088 320.0 0.224 0.612 0.268 0.000 -0.139 0.000 3/11088 330.0 0.218 0.594 0.260 0.000 -0.135 0.000 3/11088 340.0 0.211 0.576 0.253 0.000 -0.131 0.000 3/11088 350.0 0.205 0.560 0.245 0.000 -0.128 0.000 3/11088 360.0 0.200 0.544 0.239 0.000 -0.124 0.000 3/11088 370.0 0.194 0.530 0.232 0.000 -0.121 0.000 3/11088 380.0 0.189 0.516 0.226 0.000 -0.117 0.000 3/11088 390.0 0.184 0.503 0.220 0.000 -0.114 0.000 3/11088 400.0 0.180 0.490 0.215 0.000 -0.112 0.000 3/11088 410.0 0.175 0.478 0.209 0.000 -0.109 0.000 3/11088 420.0 0.171 0.467 0.204 0.000 -0.106 0.000 3/11088 430.0 0.167 0.456 0.200 0.000 -0.104 0.000 3/11088 440.0 0.163 0.446 0.195 0.000 -0.101 0.000 3/11088 450.0 0.160 0.436 0.191 0.000 -0.099 0.000 3/11088 460.0 0.156 0.426 0.187 0.000 -0.097 0.000 3/11088 470.0 0.153 0.417 0.183 0.000 -0.095 0.000 3/11088 480.0 0.150 0.409 0.179 0.000 -0.093 0.000 3/11088 490.0 0.147 0.400 0.175 0.000 -0.091 0.000 3/11088 500.0 0.144 0.392 0.172 0.000 -0.089 0.000 3/11088 510.0 0.141 0.385 0.168 0.000 -0.087 0.000 3/11088 520.0 0.138 0.377 0.165 0.000 -0.086 0.000 3/11088 530.0 0.136 0.370 0.162 0.000 -0.084 0.000 3/11088 540.0 0.133 0.363 0.159 0.000 -0.083 0.000 3/11088 550.0 0.131 0.357 0.156 0.000 -0.081 0.000 3/11088 560.0 0.129 0.350 0.153 0.000 -0.080 0.000 3/11088 570.0 0.126 0.344 0.151 0.000 -0.078 0.000 3/11088 580.0 0.124 0.338 0.148 0.000 -0.077 0.000 3/11088 590.0 0.122 0.333 0.146 0.000 -0.076 0.000 3/11088 600.0 0.120 0.327 0.143 0.000 -0.074 0.000 3/11088 610.0 0.118 0.322 0.141 0.000 -0.073 0.000 3/11088 620.0 0.116 0.317 0.139 0.000 -0.072 0.000 3/11088 630.0 0.114 0.312 0.136 0.000 -0.071 0.000 3/11088 640.0 0.112 0.307 0.134 0.000 -0.070 0.000 3/11088 650.0 0.111 0.302 0.132 0.000 -0.069 0.000 3/11088 660.0 0.109 0.297 0.130 0.000 -0.068 0.000 3/11088 670.0 0.107 0.293 0.128 0.000 -0.067 0.000 3/11088 680.0 0.106 0.289 0.126 0.000 -0.066 0.000 3/11088 690.0 0.104 0.285 0.124 0.000 -0.065 0.000 3/11088 700.0 0.103 0.281 0.123 0.000 -0.064 0.000 3/11088 710.0 0.101 0.277 0.121 0.000 -0.063 0.000 3/11088 720.0 0.100 0.273 0.119 0.000 -0.062 0.000 3/11088 730.0 0.099 0.269 0.118 0.000 -0.061 0.000 3/11088 740.0 0.097 0.265 0.116 0.000 -0.060 0.000 3/11088 750.0 0.096 0.262 0.115 0.000 -0.059 0.000 3/11088 760.0 0.095 0.258 0.113 0.000 -0.059 0.000 3/11088 770.0 0.094 0.255 0.112 0.000 -0.058 0.000 3/11088 780.0 0.092 0.252 0.110 0.000 -0.057 0.000 3/11088 790.0 0.091 0.249 0.109 0.000 -0.056 0.000 3/11088 800.0 0.090 0.245 0.107 0.000 -0.056 0.000 3/11088 810.0 0.089 0.242 0.106 0.000 -0.055 0.000 3/11088 820.0 0.088 0.240 0.105 0.000 -0.054 0.000 3/11088 830.0 0.087 0.237 0.103 0.000 -0.054 0.000 3/11088 840.0 0.086 0.234 0.102 0.000 -0.053 0.000 3/11088 850.0 0.085 0.231 0.101 0.000 -0.052 0.000 3/11088 860.0 0.084 0.228 0.100 0.000 -0.052 0.000 3/11088 870.0 0.083 0.226 0.099 0.000 -0.051 0.000 3/11088 880.0 0.082 0.223 0.098 0.000 -0.051 0.000 3/11088 890.0 0.081 0.221 0.097 0.000 -0.050 0.000 3/11088 900.0 0.080 0.218 0.095 0.000 -0.050 0.000 3/11088 910.0 0.079 0.216 0.094 0.000 -0.049 0.000 3/11088 920.0 0.078 0.214 0.093 0.000 -0.048 0.000 3/11088 930.0 0.077 0.211 0.092 0.000 -0.048 0.000 3/11088 940.0 0.077 0.209 0.091 0.000 -0.047 0.000 3/11088 950.0 0.076 0.207 0.090 0.000 -0.047 0.000 3/11088 960.0 0.075 0.205 0.089 0.000 -0.046 0.000 3/11088 970.0 0.074 0.203 0.089 0.000 -0.046 0.000 3/11088 980.0 0.073 0.200 0.088 0.000 -0.046 0.000 3/11088 990.0 0.073 0.198 0.087 0.000 -0.045 0.000 3/11088 1000.0 0.072 0.196 0.086 0.000 -0.045 0.000 3/11088 Thermal conductivity related properties were written into "kappa-m6114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:28:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|