----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:16:34]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.081527583910592 1.779120780086034 7.179048213333326 b -3.081527583910586 1.779120780086034 7.179048213333326 c 0.000000000000003 -3.558241560172073 7.179048213333326 Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *2 K 0.91952090867648 0.91952090867648 0.91952090867648 39.098 3 K 0.08047909132352 0.08047909132352 0.08047909132352 39.098 *4 Sb 0.24093689314514 0.24093689314515 0.24093689314514 121.760 5 Sb 0.75906310685486 0.75906310685486 0.75906310685486 121.760 *6 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 7 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 8 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.163055167821178 0.000000000000000 0.000000000000000 b -3.081527583910589 5.337362340258107 0.000000000000000 c 0.000000000000000 0.000000000000000 21.537144640000001 Atomic positions (fractional): *1 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 1 *2 K 0.00000000000000 0.00000000000000 0.91952090867648 39.098 > 2 3 K 0.33333333333333 0.66666666666667 0.74714575799019 39.098 > 3 4 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 1 5 K 0.66666666666667 0.33333333333333 0.25285424200981 39.098 > 2 6 K 0.00000000000000 0.00000000000000 0.08047909132352 39.098 > 3 7 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.58618757534315 39.098 > 2 9 K 0.66666666666667 0.33333333333333 0.41381242465685 39.098 > 3 *10 Sb 0.33333333333333 0.66666666666667 0.90760355981181 121.760 > 4 11 Sb 0.00000000000000 0.00000000000000 0.75906310685486 121.760 > 5 12 Sb 0.00000000000000 0.00000000000000 0.24093689314514 121.760 > 4 13 Sb 0.66666666666667 0.33333333333333 0.09239644018819 121.760 > 5 14 Sb 0.66666666666667 0.33333333333333 0.57427022647848 121.760 > 4 15 Sb 0.33333333333333 0.66666666666667 0.42572977352153 121.760 > 5 *16 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 6 17 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 7 18 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 8 19 Au 0.16666666666667 0.33333333333333 0.33333333333333 196.967 > 6 20 Au 0.16666666666667 0.83333333333333 0.33333333333333 196.967 > 7 21 Au 0.66666666666667 0.83333333333333 0.33333333333333 196.967 > 8 22 Au 0.83333333333333 0.66666666666667 0.66666666666667 196.967 > 6 23 Au 0.83333333333333 0.16666666666667 0.66666666666667 196.967 > 7 24 Au 0.33333333333333 0.16666666666667 0.66666666666667 196.967 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.326110335642356 0.000000000000000 0.000000000000000 b -6.163055167821178 10.674724680516213 0.000000000000000 c 0.000000000000000 0.000000000000000 21.537144640000001 Atomic positions (fractional): *1 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 *5 K 0.00000000000000 0.00000000000000 0.91952090867648 39.098 > 2 6 K 0.50000000000000 0.00000000000000 0.91952090867648 39.098 > 2 7 K 0.00000000000000 0.50000000000000 0.91952090867648 39.098 > 2 8 K 0.50000000000000 0.50000000000000 0.91952090867648 39.098 > 2 9 K 0.16666666666667 0.33333333333333 0.74714575799019 39.098 > 3 10 K 0.66666666666667 0.33333333333333 0.74714575799019 39.098 > 3 11 K 0.16666666666667 0.83333333333333 0.74714575799019 39.098 > 3 12 K 0.66666666666667 0.83333333333333 0.74714575799019 39.098 > 3 13 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 14 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 15 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 16 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.25285424200981 39.098 > 2 18 K 0.83333333333333 0.16666666666667 0.25285424200981 39.098 > 2 19 K 0.33333333333333 0.66666666666667 0.25285424200981 39.098 > 2 20 K 0.83333333333333 0.66666666666667 0.25285424200981 39.098 > 2 21 K 0.00000000000000 0.00000000000000 0.08047909132352 39.098 > 3 22 K 0.50000000000000 0.00000000000000 0.08047909132352 39.098 > 3 23 K 0.00000000000000 0.50000000000000 0.08047909132352 39.098 > 3 24 K 0.50000000000000 0.50000000000000 0.08047909132352 39.098 > 3 25 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 26 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 27 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 28 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.58618757534315 39.098 > 2 30 K 0.66666666666667 0.33333333333333 0.58618757534315 39.098 > 2 31 K 0.16666666666667 0.83333333333333 0.58618757534315 39.098 > 2 32 K 0.66666666666667 0.83333333333333 0.58618757534315 39.098 > 2 33 K 0.33333333333333 0.16666666666667 0.41381242465685 39.098 > 3 34 K 0.83333333333333 0.16666666666667 0.41381242465685 39.098 > 3 35 K 0.33333333333333 0.66666666666667 0.41381242465685 39.098 > 3 36 K 0.83333333333333 0.66666666666667 0.41381242465685 39.098 > 3 *37 Sb 0.16666666666667 0.33333333333333 0.90760355981181 121.760 > 4 38 Sb 0.66666666666667 0.33333333333333 0.90760355981181 121.760 > 4 39 Sb 0.16666666666667 0.83333333333333 0.90760355981181 121.760 > 4 40 Sb 0.66666666666667 0.83333333333333 0.90760355981181 121.760 > 4 41 Sb 0.00000000000000 0.00000000000000 0.75906310685486 121.760 > 5 42 Sb 0.50000000000000 0.00000000000000 0.75906310685486 121.760 > 5 43 Sb 0.00000000000000 0.50000000000000 0.75906310685486 121.760 > 5 44 Sb 0.50000000000000 0.50000000000000 0.75906310685486 121.760 > 5 45 Sb 0.00000000000000 0.00000000000000 0.24093689314514 121.760 > 4 46 Sb 0.50000000000000 0.00000000000000 0.24093689314514 121.760 > 4 47 Sb 0.00000000000000 0.50000000000000 0.24093689314514 121.760 > 4 48 Sb 0.50000000000000 0.50000000000000 0.24093689314514 121.760 > 4 49 Sb 0.33333333333333 0.16666666666667 0.09239644018819 121.760 > 5 50 Sb 0.83333333333333 0.16666666666667 0.09239644018819 121.760 > 5 51 Sb 0.33333333333333 0.66666666666667 0.09239644018819 121.760 > 5 52 Sb 0.83333333333333 0.66666666666667 0.09239644018819 121.760 > 5 53 Sb 0.33333333333333 0.16666666666667 0.57427022647848 121.760 > 4 54 Sb 0.83333333333333 0.16666666666667 0.57427022647848 121.760 > 4 55 Sb 0.33333333333333 0.66666666666667 0.57427022647848 121.760 > 4 56 Sb 0.83333333333333 0.66666666666667 0.57427022647848 121.760 > 4 57 Sb 0.16666666666667 0.33333333333333 0.42572977352153 121.760 > 5 58 Sb 0.66666666666667 0.33333333333333 0.42572977352153 121.760 > 5 59 Sb 0.16666666666667 0.83333333333333 0.42572977352153 121.760 > 5 60 Sb 0.66666666666667 0.83333333333333 0.42572977352153 121.760 > 5 *61 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 6 62 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 6 63 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 6 64 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 6 65 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 7 66 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 7 67 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 7 68 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 7 69 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 8 70 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 8 71 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 8 72 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 8 73 Au 0.08333333333333 0.16666666666667 0.33333333333333 196.967 > 6 74 Au 0.58333333333333 0.16666666666667 0.33333333333333 196.967 > 6 75 Au 0.08333333333333 0.66666666666667 0.33333333333333 196.967 > 6 76 Au 0.58333333333333 0.66666666666667 0.33333333333333 196.967 > 6 77 Au 0.08333333333333 0.41666666666667 0.33333333333333 196.967 > 7 78 Au 0.58333333333333 0.41666666666667 0.33333333333333 196.967 > 7 79 Au 0.08333333333333 0.91666666666667 0.33333333333333 196.967 > 7 80 Au 0.58333333333333 0.91666666666667 0.33333333333333 196.967 > 7 81 Au 0.33333333333333 0.41666666666667 0.33333333333333 196.967 > 8 82 Au 0.83333333333333 0.41666666666667 0.33333333333333 196.967 > 8 83 Au 0.33333333333333 0.91666666666667 0.33333333333333 196.967 > 8 84 Au 0.83333333333333 0.91666666666667 0.33333333333333 196.967 > 8 85 Au 0.41666666666667 0.33333333333333 0.66666666666667 196.967 > 6 86 Au 0.91666666666667 0.33333333333333 0.66666666666667 196.967 > 6 87 Au 0.41666666666667 0.83333333333333 0.66666666666667 196.967 > 6 88 Au 0.91666666666667 0.83333333333333 0.66666666666667 196.967 > 6 89 Au 0.41666666666667 0.08333333333333 0.66666666666667 196.967 > 7 90 Au 0.91666666666667 0.08333333333333 0.66666666666667 196.967 > 7 91 Au 0.41666666666667 0.58333333333333 0.66666666666667 196.967 > 7 92 Au 0.91666666666667 0.58333333333333 0.66666666666667 196.967 > 7 93 Au 0.16666666666667 0.08333333333333 0.66666666666667 196.967 > 8 94 Au 0.66666666666667 0.08333333333333 0.66666666666667 196.967 > 8 95 Au 0.16666666666667 0.58333333333333 0.66666666666667 196.967 > 8 96 Au 0.66666666666667 0.58333333333333 0.66666666666667 196.967 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.8814480 0.0000000 0.0000000 0.0000000 16.8814480 0.0000000 0.0000000 0.0000000 9.4471979 -------------------------- Born effective charges -------------------------- 1 K 1.3875039 -0.0000000 0.0000000 0.0000000 1.3875039 -0.0000000 0.0000000 0.0000000 1.7277387 2 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 3 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 4 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 5 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 6 Au -0.6611973 -0.0000000 0.0000000 0.0000000 1.0197317 2.8988945 0.0000000 0.3231303 0.5443887 7 Au 0.5994995 -0.7278636 2.5105163 -0.7278636 -0.2409651 -1.4494472 0.2798391 -0.1615652 0.5443887 8 Au 0.5994995 0.7278636 -2.5105163 0.7278636 -0.2409651 -1.4494472 -0.2798391 -0.1615652 0.5443887 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4344/4344 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 362 Number of blocks in projector: 299 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (362, 351), data: False |-- (82, 78), data: True |-- (118, 116), data: True |-- (162, 157), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.232 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4344/4344 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 362 Number of blocks in projector: 299 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (362, 351), data: False |-- (82, 78), data: True |-- (118, 116), data: True |-- (162, 157), 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 2026-01-07 23:16:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:16:37]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.081527583910592 1.779120780086034 7.179048213333326 b -3.081527583910586 1.779120780086034 7.179048213333326 c 0.000000000000003 -3.558241560172073 7.179048213333326 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 K 0.91952090867648 0.91952090867648 0.91952090867648 39.098 3 K 0.08047909132352 0.08047909132352 0.08047909132352 39.098 4 Sb 0.24093689314514 0.24093689314515 0.24093689314514 121.760 5 Sb 0.75906310685486 0.75906310685486 0.75906310685486 121.760 6 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 7 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 8 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.326110335642356 0.000000000000000 0.000000000000000 b -6.163055167821178 10.674724680516213 0.000000000000000 c 0.000000000000000 0.000000000000000 21.537144640000001 Atomic positions (fractional): 1 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.91952090867648 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.91952090867648 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.91952090867648 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.91952090867648 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.74714575799019 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.74714575799019 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.74714575799019 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.74714575799019 39.098 > 9 13 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 14 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 15 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 16 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.25285424200981 39.098 > 5 18 K 0.83333333333333 0.16666666666667 0.25285424200981 39.098 > 5 19 K 0.33333333333333 0.66666666666667 0.25285424200981 39.098 > 5 20 K 0.83333333333333 0.66666666666667 0.25285424200981 39.098 > 5 21 K 0.00000000000000 0.00000000000000 0.08047909132352 39.098 > 9 22 K 0.50000000000000 0.00000000000000 0.08047909132352 39.098 > 9 23 K 0.00000000000000 0.50000000000000 0.08047909132352 39.098 > 9 24 K 0.50000000000000 0.50000000000000 0.08047909132352 39.098 > 9 25 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 26 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 27 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 28 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.58618757534315 39.098 > 5 30 K 0.66666666666667 0.33333333333333 0.58618757534315 39.098 > 5 31 K 0.16666666666667 0.83333333333333 0.58618757534315 39.098 > 5 32 K 0.66666666666667 0.83333333333333 0.58618757534315 39.098 > 5 33 K 0.33333333333333 0.16666666666667 0.41381242465685 39.098 > 9 34 K 0.83333333333333 0.16666666666667 0.41381242465685 39.098 > 9 35 K 0.33333333333333 0.66666666666667 0.41381242465685 39.098 > 9 36 K 0.83333333333333 0.66666666666667 0.41381242465685 39.098 > 9 37 Sb 0.16666666666667 0.33333333333333 0.90760355981181 121.760 > 37 38 Sb 0.66666666666667 0.33333333333333 0.90760355981181 121.760 > 37 39 Sb 0.16666666666667 0.83333333333333 0.90760355981181 121.760 > 37 40 Sb 0.66666666666667 0.83333333333333 0.90760355981181 121.760 > 37 41 Sb 0.00000000000000 0.00000000000000 0.75906310685486 121.760 > 41 42 Sb 0.50000000000000 0.00000000000000 0.75906310685486 121.760 > 41 43 Sb 0.00000000000000 0.50000000000000 0.75906310685486 121.760 > 41 44 Sb 0.50000000000000 0.50000000000000 0.75906310685486 121.760 > 41 45 Sb 0.00000000000000 0.00000000000000 0.24093689314514 121.760 > 37 46 Sb 0.50000000000000 0.00000000000000 0.24093689314514 121.760 > 37 47 Sb 0.00000000000000 0.50000000000000 0.24093689314514 121.760 > 37 48 Sb 0.50000000000000 0.50000000000000 0.24093689314514 121.760 > 37 49 Sb 0.33333333333333 0.16666666666667 0.09239644018819 121.760 > 41 50 Sb 0.83333333333333 0.16666666666667 0.09239644018819 121.760 > 41 51 Sb 0.33333333333333 0.66666666666667 0.09239644018819 121.760 > 41 52 Sb 0.83333333333333 0.66666666666667 0.09239644018819 121.760 > 41 53 Sb 0.33333333333333 0.16666666666667 0.57427022647848 121.760 > 37 54 Sb 0.83333333333333 0.16666666666667 0.57427022647848 121.760 > 37 55 Sb 0.33333333333333 0.66666666666667 0.57427022647848 121.760 > 37 56 Sb 0.83333333333333 0.66666666666667 0.57427022647848 121.760 > 37 57 Sb 0.16666666666667 0.33333333333333 0.42572977352153 121.760 > 41 58 Sb 0.66666666666667 0.33333333333333 0.42572977352153 121.760 > 41 59 Sb 0.16666666666667 0.83333333333333 0.42572977352153 121.760 > 41 60 Sb 0.66666666666667 0.83333333333333 0.42572977352153 121.760 > 41 61 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 61 62 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 61 63 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 61 64 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 61 65 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 65 66 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 65 67 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 65 68 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 65 69 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 69 70 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 69 71 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 69 72 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 69 73 Au 0.08333333333333 0.16666666666667 0.33333333333333 196.967 > 61 74 Au 0.58333333333333 0.16666666666667 0.33333333333333 196.967 > 61 75 Au 0.08333333333333 0.66666666666667 0.33333333333333 196.967 > 61 76 Au 0.58333333333333 0.66666666666667 0.33333333333333 196.967 > 61 77 Au 0.08333333333333 0.41666666666667 0.33333333333333 196.967 > 65 78 Au 0.58333333333333 0.41666666666667 0.33333333333333 196.967 > 65 79 Au 0.08333333333333 0.91666666666667 0.33333333333333 196.967 > 65 80 Au 0.58333333333333 0.91666666666667 0.33333333333333 196.967 > 65 81 Au 0.33333333333333 0.41666666666667 0.33333333333333 196.967 > 69 82 Au 0.83333333333333 0.41666666666667 0.33333333333333 196.967 > 69 83 Au 0.33333333333333 0.91666666666667 0.33333333333333 196.967 > 69 84 Au 0.83333333333333 0.91666666666667 0.33333333333333 196.967 > 69 85 Au 0.41666666666667 0.33333333333333 0.66666666666667 196.967 > 61 86 Au 0.91666666666667 0.33333333333333 0.66666666666667 196.967 > 61 87 Au 0.41666666666667 0.83333333333333 0.66666666666667 196.967 > 61 88 Au 0.91666666666667 0.83333333333333 0.66666666666667 196.967 > 61 89 Au 0.41666666666667 0.08333333333333 0.66666666666667 196.967 > 65 90 Au 0.91666666666667 0.08333333333333 0.66666666666667 196.967 > 65 91 Au 0.41666666666667 0.58333333333333 0.66666666666667 196.967 > 65 92 Au 0.91666666666667 0.58333333333333 0.66666666666667 196.967 > 65 93 Au 0.16666666666667 0.08333333333333 0.66666666666667 196.967 > 69 94 Au 0.66666666666667 0.08333333333333 0.66666666666667 196.967 > 69 95 Au 0.16666666666667 0.58333333333333 0.66666666666667 196.967 > 69 96 Au 0.66666666666667 0.58333333333333 0.66666666666667 196.967 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.8814480 0.0000000 0.0000000 0.0000000 16.8814480 0.0000000 0.0000000 0.0000000 9.4471979 -------------------------- Born effective charges -------------------------- 1 K 1.3875039 -0.0000000 0.0000000 0.0000000 1.3875039 -0.0000000 0.0000000 0.0000000 1.7277387 2 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 3 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 4 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 5 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 6 Au -0.6611973 -0.0000000 0.0000000 0.0000000 1.0197317 2.8988945 0.0000000 0.3231303 0.5443887 7 Au 0.5994995 -0.7278636 2.5105163 -0.7278636 -0.2409651 -1.4494472 0.2798391 -0.1615652 0.5443887 8 Au 0.5994995 0.7278636 -2.5105163 0.7278636 -0.2409651 -1.4494472 -0.2798391 -0.1615652 0.5443887 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:16:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:16:44]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.081527583910592 1.779120780086034 7.179048213333326 b -3.081527583910586 1.779120780086034 7.179048213333326 c 0.000000000000003 -3.558241560172073 7.179048213333326 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 2 K 0.91952090867648 0.91952090867648 0.91952090867648 39.098 3 K 0.08047909132352 0.08047909132352 0.08047909132352 39.098 4 Sb 0.24093689314514 0.24093689314515 0.24093689314514 121.760 5 Sb 0.75906310685486 0.75906310685486 0.75906310685486 121.760 6 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 7 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 8 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.326110335642356 0.000000000000000 0.000000000000000 b -6.163055167821178 10.674724680516213 0.000000000000000 c 0.000000000000000 0.000000000000000 21.537144640000001 Atomic positions (fractional): 1 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.91952090867648 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.91952090867648 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.91952090867648 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.91952090867648 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.74714575799019 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.74714575799019 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.74714575799019 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.74714575799019 39.098 > 9 13 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 1 14 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 1 15 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 1 16 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 1 17 K 0.33333333333333 0.16666666666667 0.25285424200981 39.098 > 5 18 K 0.83333333333333 0.16666666666667 0.25285424200981 39.098 > 5 19 K 0.33333333333333 0.66666666666667 0.25285424200981 39.098 > 5 20 K 0.83333333333333 0.66666666666667 0.25285424200981 39.098 > 5 21 K 0.00000000000000 0.00000000000000 0.08047909132352 39.098 > 9 22 K 0.50000000000000 0.00000000000000 0.08047909132352 39.098 > 9 23 K 0.00000000000000 0.50000000000000 0.08047909132352 39.098 > 9 24 K 0.50000000000000 0.50000000000000 0.08047909132352 39.098 > 9 25 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 1 26 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 1 27 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 1 28 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 29 K 0.16666666666667 0.33333333333333 0.58618757534315 39.098 > 5 30 K 0.66666666666667 0.33333333333333 0.58618757534315 39.098 > 5 31 K 0.16666666666667 0.83333333333333 0.58618757534315 39.098 > 5 32 K 0.66666666666667 0.83333333333333 0.58618757534315 39.098 > 5 33 K 0.33333333333333 0.16666666666667 0.41381242465685 39.098 > 9 34 K 0.83333333333333 0.16666666666667 0.41381242465685 39.098 > 9 35 K 0.33333333333333 0.66666666666667 0.41381242465685 39.098 > 9 36 K 0.83333333333333 0.66666666666667 0.41381242465685 39.098 > 9 37 Sb 0.16666666666667 0.33333333333333 0.90760355981181 121.760 > 37 38 Sb 0.66666666666667 0.33333333333333 0.90760355981181 121.760 > 37 39 Sb 0.16666666666667 0.83333333333333 0.90760355981181 121.760 > 37 40 Sb 0.66666666666667 0.83333333333333 0.90760355981181 121.760 > 37 41 Sb 0.00000000000000 0.00000000000000 0.75906310685486 121.760 > 41 42 Sb 0.50000000000000 0.00000000000000 0.75906310685486 121.760 > 41 43 Sb 0.00000000000000 0.50000000000000 0.75906310685486 121.760 > 41 44 Sb 0.50000000000000 0.50000000000000 0.75906310685486 121.760 > 41 45 Sb 0.00000000000000 0.00000000000000 0.24093689314514 121.760 > 37 46 Sb 0.50000000000000 0.00000000000000 0.24093689314514 121.760 > 37 47 Sb 0.00000000000000 0.50000000000000 0.24093689314514 121.760 > 37 48 Sb 0.50000000000000 0.50000000000000 0.24093689314514 121.760 > 37 49 Sb 0.33333333333333 0.16666666666667 0.09239644018819 121.760 > 41 50 Sb 0.83333333333333 0.16666666666667 0.09239644018819 121.760 > 41 51 Sb 0.33333333333333 0.66666666666667 0.09239644018819 121.760 > 41 52 Sb 0.83333333333333 0.66666666666667 0.09239644018819 121.760 > 41 53 Sb 0.33333333333333 0.16666666666667 0.57427022647848 121.760 > 37 54 Sb 0.83333333333333 0.16666666666667 0.57427022647848 121.760 > 37 55 Sb 0.33333333333333 0.66666666666667 0.57427022647848 121.760 > 37 56 Sb 0.83333333333333 0.66666666666667 0.57427022647848 121.760 > 37 57 Sb 0.16666666666667 0.33333333333333 0.42572977352153 121.760 > 41 58 Sb 0.66666666666667 0.33333333333333 0.42572977352153 121.760 > 41 59 Sb 0.16666666666667 0.83333333333333 0.42572977352153 121.760 > 41 60 Sb 0.66666666666667 0.83333333333333 0.42572977352153 121.760 > 41 61 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 61 62 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 61 63 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 61 64 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 61 65 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 65 66 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 65 67 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 65 68 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 65 69 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 69 70 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 69 71 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 69 72 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 69 73 Au 0.08333333333333 0.16666666666667 0.33333333333333 196.967 > 61 74 Au 0.58333333333333 0.16666666666667 0.33333333333333 196.967 > 61 75 Au 0.08333333333333 0.66666666666667 0.33333333333333 196.967 > 61 76 Au 0.58333333333333 0.66666666666667 0.33333333333333 196.967 > 61 77 Au 0.08333333333333 0.41666666666667 0.33333333333333 196.967 > 65 78 Au 0.58333333333333 0.41666666666667 0.33333333333333 196.967 > 65 79 Au 0.08333333333333 0.91666666666667 0.33333333333333 196.967 > 65 80 Au 0.58333333333333 0.91666666666667 0.33333333333333 196.967 > 65 81 Au 0.33333333333333 0.41666666666667 0.33333333333333 196.967 > 69 82 Au 0.83333333333333 0.41666666666667 0.33333333333333 196.967 > 69 83 Au 0.33333333333333 0.91666666666667 0.33333333333333 196.967 > 69 84 Au 0.83333333333333 0.91666666666667 0.33333333333333 196.967 > 69 85 Au 0.41666666666667 0.33333333333333 0.66666666666667 196.967 > 61 86 Au 0.91666666666667 0.33333333333333 0.66666666666667 196.967 > 61 87 Au 0.41666666666667 0.83333333333333 0.66666666666667 196.967 > 61 88 Au 0.91666666666667 0.83333333333333 0.66666666666667 196.967 > 61 89 Au 0.41666666666667 0.08333333333333 0.66666666666667 196.967 > 65 90 Au 0.91666666666667 0.08333333333333 0.66666666666667 196.967 > 65 91 Au 0.41666666666667 0.58333333333333 0.66666666666667 196.967 > 65 92 Au 0.91666666666667 0.58333333333333 0.66666666666667 196.967 > 65 93 Au 0.16666666666667 0.08333333333333 0.66666666666667 196.967 > 69 94 Au 0.66666666666667 0.08333333333333 0.66666666666667 196.967 > 69 95 Au 0.16666666666667 0.58333333333333 0.66666666666667 196.967 > 69 96 Au 0.66666666666667 0.58333333333333 0.66666666666667 196.967 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.8814480 0.0000000 0.0000000 0.0000000 16.8814480 0.0000000 0.0000000 0.0000000 9.4471979 -------------------------- Born effective charges -------------------------- 1 K 1.3875039 -0.0000000 0.0000000 0.0000000 1.3875039 -0.0000000 0.0000000 0.0000000 1.7277387 2 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 3 K 1.2041980 -0.0000000 0.0000000 0.0000000 1.2041980 -0.0000000 0.0000000 0.0000000 1.1160009 4 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 5 Sb -2.1668507 -0.0000000 0.0000000 0.0000000 -2.1668507 -0.0000000 0.0000000 0.0000000 -2.7964532 6 Au -0.6611973 -0.0000000 0.0000000 0.0000000 1.0197317 2.8988945 0.0000000 0.3231303 0.5443887 7 Au 0.5994995 -0.7278636 2.5105163 -0.7278636 -0.2409651 -1.4494472 0.2798391 -0.1615652 0.5443887 8 Au 0.5994995 0.7278636 -2.5105163 0.7278636 -0.2409651 -1.4494472 -0.2798391 -0.1615652 0.5443887 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) 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 ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 285, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 9.054 5.227 6.584) 12.355 0.258 ( 9.599 5.542 8.451) 13.938 0.391 ( 16.902 9.759 1.426) 19.569 0.994 ( -0.852 -0.492 0.130) 0.993 1.056 ( 0.175 0.101 -2.567) 2.575 1.435 ( -4.994 -2.883 8.227) 10.046 1.483 ( -0.428 -0.247 1.537) 1.615 1.523 ( -1.022 -0.590 0.000) 1.180 1.748 ( -1.331 -0.768 0.619) 1.657 1.752 ( -2.363 -1.364 -0.134) 2.732 2.292 ( -3.794 -2.191 -5.119) 6.737 2.460 ( -2.119 -1.224 1.407) 2.823 2.779 ( 7.540 4.353 -3.116) 9.248 2.781 ( 5.274 3.045 6.032) 8.571 3.127 ( 0.009 0.005 -0.857) 0.857 3.489 ( -4.082 -2.357 -1.360) 4.906 3.507 ( -4.220 -2.437 0.954) 4.966 3.828 ( 1.281 0.740 -0.577) 1.588 3.839 ( 2.181 1.259 -0.446) 2.558 3.954 ( -0.148 -0.085 3.658) 3.662 4.562 ( 0.368 0.213 0.267) 0.502 4.717 ( -4.520 -2.609 -2.092) 5.623 5.068 ( 4.637 2.677 -2.724) 6.007 5.763 ( -1.102 -0.636 3.501) 3.725 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 7.627 4.403 5.687) 10.483 0.481 ( 7.656 4.420 5.604) 10.467 0.724 ( 12.720 7.344 1.024) 14.724 0.974 ( -0.871 -0.503 0.444) 1.100 1.050 ( 0.620 0.358 -2.249) 2.360 1.360 ( -4.252 -2.455 4.998) 7.006 1.476 ( -1.014 -0.586 1.468) 1.878 1.488 ( -2.239 -1.292 -0.062) 2.586 1.688 ( -3.266 -1.886 0.161) 3.775 1.710 ( -2.366 -1.366 0.689) 2.818 2.198 ( -2.376 -1.372 -4.255) 5.063 2.418 ( -2.078 -1.200 0.116) 2.402 2.917 ( 3.827 2.210 5.299) 6.900 2.925 ( 5.139 2.967 -1.380) 6.093 3.154 ( 4.989 2.881 -4.576) 7.358 3.391 ( -3.709 -2.141 -0.299) 4.293 3.410 ( -4.632 -2.674 0.360) 5.361 3.845 ( 0.301 0.174 -0.091) 0.359 3.883 ( 2.145 1.239 -1.617) 2.958 3.972 ( -0.439 -0.253 6.641) 6.660 4.573 ( 0.460 0.265 0.471) 0.710 4.590 ( -6.213 -3.587 -1.545) 7.339 5.165 ( 5.324 3.074 -3.133) 6.899 5.750 ( -1.294 -0.747 2.331) 2.768 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 3.406 1.967 1.907) 4.371 0.629 ( 7.066 4.079 4.763) 9.447 0.908 ( 3.353 1.936 0.125) 3.874 0.981 ( 1.753 1.012 1.127) 2.316 1.099 ( 5.589 3.227 -2.574) 6.948 1.310 ( -2.263 -1.307 3.767) 4.585 1.422 ( -3.898 -2.250 -0.153) 4.503 1.445 ( -2.728 -1.575 1.514) 3.495 1.622 ( -2.769 -1.599 0.535) 3.242 1.662 ( -2.094 -1.209 0.379) 2.447 2.155 ( -0.433 -0.250 -1.997) 2.059 2.372 ( -1.870 -1.080 -0.869) 2.328 2.961 ( -1.201 -0.693 0.976) 1.695 2.962 ( 0.113 0.065 -1.823) 1.828 3.297 ( 3.474 2.006 -2.764) 4.871 3.340 ( 3.660 2.113 -1.583) 4.513 3.360 ( 0.356 0.205 3.253) 3.279 3.839 ( -0.896 -0.517 0.316) 1.082 3.914 ( 1.643 0.949 -2.405) 3.063 3.997 ( -0.548 -0.317 8.730) 8.753 4.438 ( -6.751 -3.898 -2.889) 8.314 4.584 ( 0.286 0.165 0.518) 0.614 5.263 ( 4.871 2.813 -2.646) 6.216 5.728 ( -1.623 -0.937 1.735) 2.554 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.141 -0.082 -0.033) 0.167 0.793 ( 5.853 3.379 3.615) 7.665 0.927 ( -0.169 -0.097 -0.873) 0.895 1.063 ( 4.864 2.808 0.963) 5.698 1.212 ( 5.038 2.909 -3.627) 6.856 1.291 ( -1.025 -0.592 2.633) 2.887 1.321 ( -5.157 -2.977 -0.164) 5.957 1.376 ( -3.996 -2.307 2.297) 5.155 1.579 ( -1.368 -0.790 0.290) 1.606 1.629 ( -0.972 -0.561 0.162) 1.134 2.151 ( 0.365 0.211 -0.452) 0.618 2.334 ( -1.222 -0.705 -0.591) 1.530 2.910 ( -2.445 -1.412 -0.810) 2.938 2.949 ( -0.273 -0.158 -1.416) 1.450 3.257 ( -1.478 -0.853 -1.454) 2.242 3.405 ( 1.491 0.861 3.327) 3.746 3.528 ( 8.909 5.143 -1.856) 10.453 3.812 ( -1.615 -0.932 0.192) 1.875 3.932 ( 0.951 0.549 -1.889) 2.185 4.032 ( 0.003 0.002 9.430) 9.430 4.278 ( -6.016 -3.473 -4.968) 8.541 4.590 ( 0.084 0.049 0.344) 0.358 5.344 ( 3.277 1.892 -1.569) 4.097 5.700 ( -1.449 -0.837 1.020) 1.960 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -0.000 -0.000 0.000) 0.000 0.885 ( -0.000 -0.000 -0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 1.157 ( -0.000 -0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.273 ( -0.000 -0.000 0.000) 0.000 1.275 ( 0.000 0.000 -0.000) 0.000 1.327 ( -0.000 -0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.175 ( -0.000 -0.000 -0.000) 0.000 4.591 ( -0.000 -0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.684 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( -0.000 10.240 -1.040) 10.293 0.248 ( -0.000 7.896 9.991) 12.734 0.479 ( -0.000 16.713 10.762) 19.878 0.993 ( 0.000 -1.079 -0.002) 1.079 1.048 ( -0.000 1.102 -2.639) 2.860 1.479 ( 0.000 -4.561 7.115) 8.452 1.500 ( 0.000 -5.821 8.180) 10.039 1.523 ( 0.000 -1.153 0.038) 1.154 1.745 ( 0.000 -1.720 0.097) 1.722 1.766 ( 0.000 -2.622 2.149) 3.390 2.340 ( 0.000 -2.764 1.159) 2.998 2.372 ( -0.000 -0.930 -9.115) 9.162 2.720 ( -0.000 3.782 -2.073) 4.313 2.845 ( -0.000 7.228 4.941) 8.755 3.129 ( 0.000 -0.542 -0.806) 0.971 3.490 ( 0.000 -4.605 -1.415) 4.818 3.505 ( 0.000 -4.222 0.924) 4.322 3.834 ( -0.000 1.343 0.101) 1.347 3.840 ( -0.000 2.969 -0.277) 2.982 3.978 ( 0.000 -0.296 6.565) 6.572 4.562 ( -0.000 0.324 0.270) 0.421 4.703 ( 0.000 -3.707 -3.547) 5.131 5.051 ( -0.000 5.582 -4.417) 7.118 5.782 ( 0.000 -3.011 5.237) 6.041 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 9.524 3.426 5.624) 11.579 0.419 ( 6.339 7.830 4.335) 10.967 0.693 ( 4.514 11.970 4.658) 13.614 0.976 ( -0.539 -1.460 0.121) 1.561 1.044 ( -0.112 0.749 -2.084) 2.217 1.421 ( -3.510 -5.873 7.855) 10.417 1.493 ( -0.582 -0.678 2.519) 2.672 1.501 ( -1.110 -1.782 0.035) 2.100 1.709 ( -2.171 -3.121 0.676) 3.861 1.731 ( -1.547 -2.245 1.323) 3.030 2.250 ( -5.010 2.037 -4.360) 6.947 2.382 ( 2.352 -4.281 -0.901) 4.967 2.821 ( 7.596 3.230 -1.058) 8.322 2.930 ( 1.424 3.516 1.710) 4.161 3.131 ( 0.401 3.832 -3.076) 4.930 3.418 ( -2.786 -3.299 -0.093) 4.319 3.443 ( -2.671 -4.411 0.974) 5.248 3.842 ( 0.401 1.138 -0.300) 1.244 3.877 ( 0.425 2.713 -0.729) 2.841 4.008 ( -0.122 -0.487 8.095) 8.110 4.568 ( 0.254 -0.030 0.395) 0.471 4.618 ( -3.261 -5.617 -2.074) 6.818 5.115 ( 3.325 5.749 -4.564) 8.058 5.768 ( -0.819 -2.164 3.135) 3.896 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 6.618 1.293 5.588) 8.757 0.605 ( 5.762 5.685 3.298) 8.740 0.867 ( 4.853 4.955 -0.259) 6.941 0.962 ( 0.604 -0.883 0.416) 1.148 1.055 ( 1.906 2.464 -2.728) 4.141 1.358 ( -2.904 -2.845 5.332) 6.705 1.452 ( -2.476 -2.483 -0.026) 3.506 1.479 ( -1.776 -1.046 2.318) 3.102 1.640 ( -2.449 -3.446 0.814) 4.305 1.686 ( -2.055 -2.035 0.605) 2.955 2.187 ( -3.335 2.524 -2.798) 5.032 2.361 ( 0.227 -3.204 -1.174) 3.420 2.955 ( 2.128 1.587 0.490) 2.699 2.964 ( 2.039 0.641 1.692) 2.726 3.193 ( 5.201 4.072 -6.036) 8.948 3.340 ( -2.974 -3.705 0.119) 4.752 3.397 ( -0.567 1.129 2.468) 2.772 3.862 ( 0.066 1.819 0.018) 1.820 3.892 ( -0.015 1.037 -1.077) 1.495 4.040 ( -0.107 -0.439 8.677) 8.689 4.483 ( -5.340 -5.284 -2.973) 8.080 4.572 ( 0.574 -0.958 0.430) 1.197 5.210 ( 4.229 5.077 -3.643) 7.546 5.744 ( -1.087 -2.222 1.904) 3.122 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.628 0.592 0.897) 1.950 0.752 ( 5.248 3.789 4.388) 7.820 0.926 ( 0.253 0.628 -0.790) 1.040 1.005 ( 4.663 0.986 0.909) 4.852 1.128 ( 4.852 2.090 -3.798) 6.506 1.314 ( -2.298 -2.336 2.809) 4.316 1.382 ( -3.417 -1.433 0.192) 3.710 1.435 ( -3.515 -1.135 2.316) 4.360 1.583 ( -1.244 -2.781 0.390) 3.071 1.639 ( -1.470 -1.853 0.259) 2.380 2.158 ( -1.249 0.850 -1.116) 1.878 2.327 ( -0.264 -2.242 -1.440) 2.677 2.962 ( -2.082 2.316 3.228) 4.485 2.977 ( -2.710 1.947 -1.708) 3.748 3.271 ( -1.842 -1.299 -1.356) 2.630 3.314 ( 8.583 -1.579 -0.838) 8.767 3.460 ( 4.321 3.802 -0.427) 5.772 3.847 ( -3.305 -0.258 1.442) 3.615 3.915 ( 1.765 2.034 -1.106) 2.911 4.078 ( 0.126 0.207 8.496) 8.499 4.324 ( -6.394 -4.084 -5.009) 9.091 4.572 ( 0.867 -1.894 0.281) 2.102 5.307 ( 3.713 4.287 -2.323) 6.129 5.710 ( -1.153 -2.483 0.947) 2.897 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.617 0.880 -0.179) 1.089 0.874 ( 3.663 2.015 2.672) 4.962 0.911 ( -1.390 -0.541 -1.371) 2.026 1.107 ( 4.871 0.874 0.509) 4.974 1.175 ( 2.850 -3.593 -1.645) 4.872 1.269 ( -1.297 0.240 -0.994) 1.652 1.326 ( -3.306 0.357 1.225) 3.543 1.381 ( -3.390 0.624 1.700) 3.844 1.553 ( 0.193 -1.902 0.018) 1.912 1.611 ( 0.025 -1.663 0.027) 1.663 2.149 ( 0.219 -0.552 0.214) 0.632 2.304 ( 0.475 -1.500 -1.023) 1.877 2.933 ( -3.574 3.862 -2.586) 5.863 2.974 ( -1.878 2.531 4.823) 5.761 3.247 ( -0.641 1.366 -1.085) 1.859 3.383 ( 3.440 -4.363 0.252) 5.562 3.591 ( 7.523 2.956 -2.722) 8.529 3.775 ( -3.575 -4.496 2.580) 6.297 3.959 ( 0.457 3.159 -0.345) 3.211 4.119 ( -2.552 0.284 5.503) 6.072 4.177 ( -2.316 -0.529 -5.106) 5.632 4.569 ( 1.181 -2.401 -0.010) 2.676 5.379 ( 1.449 2.972 -0.767) 3.394 5.675 ( -0.264 -2.265 -0.012) 2.280 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.390 0.707 -0.268) 0.851 0.838 ( -4.803 -2.676 -2.301) 5.961 0.928 ( 0.718 0.636 0.947) 1.347 1.097 ( -3.596 -4.315 -0.913) 5.691 1.193 ( 3.789 -3.127 0.693) 4.961 1.278 ( -0.001 0.542 -0.124) 0.556 1.327 ( 1.119 3.528 1.795) 4.114 1.355 ( -1.130 2.755 -1.931) 3.549 1.553 ( 1.425 -1.044 -0.042) 1.767 1.609 ( 1.345 -0.929 -0.163) 1.643 2.156 ( 0.473 0.175 1.147) 1.253 2.308 ( 1.762 -0.780 -0.446) 1.978 2.919 ( -0.866 3.134 -2.050) 3.843 2.993 ( -1.988 3.158 4.879) 6.142 3.260 ( 0.195 2.088 0.866) 2.269 3.363 ( 0.775 -5.182 -2.550) 5.827 3.621 ( -6.055 -2.596 0.602) 6.616 3.755 ( 6.073 -1.691 0.276) 6.310 3.972 ( -2.101 1.426 1.508) 2.954 4.019 ( -3.806 0.247 -7.123) 8.080 4.246 ( 4.368 3.262 3.622) 6.545 4.567 ( 1.348 -2.246 -0.302) 2.637 5.390 ( -2.314 0.801 0.779) 2.570 5.669 ( 1.679 -1.033 -0.956) 2.191 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -2.873 -3.176 -1.962) 4.710 0.705 ( -6.420 -1.821 -2.134) 7.007 0.934 ( -0.962 0.140 0.389) 1.047 0.991 ( -3.020 -3.041 -1.026) 4.406 1.169 ( -3.841 -2.585 1.141) 4.768 1.284 ( 0.581 0.552 -0.996) 1.278 1.380 ( 3.115 2.296 -0.261) 3.879 1.411 ( 2.897 2.356 -0.474) 3.764 1.579 ( 2.669 -0.244 -0.127) 2.683 1.635 ( 2.228 0.279 -0.314) 2.268 2.179 ( 0.112 2.456 1.870) 3.089 2.337 ( 2.548 -0.868 -0.103) 2.693 2.938 ( 0.980 1.329 -0.643) 1.772 3.001 ( -2.267 1.102 1.884) 3.147 3.291 ( 1.672 -1.058 0.912) 2.179 3.315 ( -0.132 -1.517 -0.316) 1.555 3.468 ( -8.483 -2.610 -0.017) 8.876 3.833 ( 2.796 1.524 -0.154) 3.188 3.930 ( -1.958 -1.055 -0.642) 2.315 3.969 ( -1.010 0.533 -4.164) 4.318 4.377 ( 6.054 3.106 2.221) 7.158 4.567 ( 1.089 -1.608 -0.424) 1.988 5.335 ( -4.741 -0.684 1.515) 5.024 5.693 ( 2.293 -0.112 -1.277) 2.627 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -7.007 -5.121 -3.787) 9.469 0.574 ( -8.033 -1.199 -1.511) 8.261 0.870 ( -7.969 -1.110 0.088) 8.047 0.956 ( 0.627 -0.552 -0.421) 0.936 1.086 ( -3.451 -0.363 0.970) 3.603 1.304 ( 2.235 0.603 -1.520) 2.769 1.453 ( 3.308 0.893 -0.053) 3.426 1.458 ( 1.559 0.571 -0.332) 1.693 1.634 ( 4.032 0.254 -0.058) 4.041 1.679 ( 2.574 0.753 -0.292) 2.698 2.227 ( 0.601 4.205 2.748) 5.059 2.363 ( 2.570 -2.393 -0.873) 3.619 2.932 ( -3.402 -1.316 -2.555) 4.453 2.964 ( -0.838 -0.990 1.055) 1.672 3.265 ( -6.661 -1.404 2.945) 7.417 3.342 ( 2.637 0.487 0.234) 2.692 3.370 ( 1.539 1.009 -1.069) 2.129 3.860 ( -1.109 1.441 -0.087) 1.820 3.906 ( -0.043 -1.216 0.583) 1.349 3.942 ( -0.203 0.075 -3.220) 3.228 4.512 ( 6.730 1.842 0.891) 7.034 4.567 ( 0.478 -0.789 -0.300) 0.970 5.248 ( -5.694 -0.894 1.318) 5.912 5.721 ( 1.780 0.074 -1.023) 2.055 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( -8.907 0.000 0.000) 8.907 0.409 ( -10.781 0.000 0.000) 10.781 0.656 ( -16.579 0.000 0.000) 16.579 0.975 ( 1.560 -0.000 -0.000) 1.560 1.064 ( -0.297 0.000 0.000) 0.297 1.356 ( 4.168 -0.000 -0.000) 4.168 1.475 ( 0.584 -0.000 -0.000) 0.584 1.501 ( 2.093 -0.000 -0.000) 2.093 1.704 ( 4.081 -0.000 -0.000) 4.081 1.722 ( 2.148 -0.000 -0.000) 2.148 2.287 ( 1.960 -0.000 -0.000) 1.960 2.383 ( 3.268 -0.000 -0.000) 3.268 2.837 ( -5.407 0.000 0.000) 5.407 2.909 ( -6.607 0.000 0.000) 6.607 3.160 ( -4.199 0.000 0.000) 4.199 3.421 ( 5.550 -0.000 -0.000) 5.550 3.435 ( 4.765 -0.000 -0.000) 4.765 3.844 ( -1.285 0.000 0.000) 1.285 3.883 ( -2.378 0.000 0.000) 2.378 3.941 ( 0.533 -0.000 -0.000) 0.533 4.565 ( -0.164 0.000 0.000) 0.164 4.634 ( 6.771 -0.000 -0.000) 6.771 5.152 ( -5.872 0.000 0.000) 5.872 5.742 ( 1.084 -0.000 -0.000) 1.084 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.000 9.966 -1.089) 10.025 0.476 ( -0.000 7.228 8.285) 10.995 0.777 ( -0.000 8.269 2.744) 8.712 0.967 ( 0.000 -1.509 -0.028) 1.509 1.040 ( -0.000 0.259 -1.826) 1.845 1.421 ( 0.000 -6.486 6.266) 9.018 1.491 ( 0.000 -2.447 0.091) 2.449 1.506 ( 0.000 -0.745 3.332) 3.414 1.703 ( 0.000 -2.727 0.198) 2.734 1.723 ( 0.000 -4.516 2.804) 5.315 2.293 ( 0.000 -3.141 1.406) 3.441 2.322 ( -0.000 1.722 -5.569) 5.829 2.779 ( -0.000 4.648 -3.061) 5.566 2.956 ( -0.000 3.776 0.484) 3.807 3.153 ( -0.000 3.639 -2.518) 4.425 3.418 ( 0.000 -2.336 1.153) 2.605 3.419 ( 0.000 -5.707 1.468) 5.893 3.844 ( -0.000 0.192 -0.300) 0.356 3.905 ( -0.000 3.965 -0.144) 3.967 4.042 ( 0.000 -0.618 8.291) 8.314 4.570 ( -0.000 0.150 0.256) 0.297 4.572 ( 0.000 -7.214 -2.118) 7.519 5.126 ( -0.000 6.844 -4.848) 8.387 5.763 ( 0.000 -2.969 2.594) 3.942 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 5.436 5.336 1.835) 7.835 0.606 ( 3.381 6.772 5.465) 9.336 0.859 ( 1.657 4.884 -0.882) 5.232 0.953 ( -0.061 -0.668 0.144) 0.686 1.040 ( 0.784 0.964 -2.250) 2.570 1.381 ( -1.160 -4.379 4.050) 6.076 1.454 ( -1.222 -3.451 0.052) 3.661 1.504 ( -1.022 -1.186 2.935) 3.327 1.652 ( -2.429 -3.642 1.133) 4.522 1.687 ( -0.763 -3.534 1.157) 3.796 2.252 ( -3.051 0.656 -2.574) 4.045 2.310 ( 0.961 -2.568 -1.474) 3.113 2.869 ( 6.852 2.886 -1.268) 7.542 3.003 ( -0.523 4.921 2.600) 5.590 3.173 ( 0.052 4.064 -4.814) 6.300 3.347 ( -2.454 -4.884 0.866) 5.534 3.409 ( 0.238 -1.801 2.016) 2.714 3.858 ( 1.156 1.331 0.055) 1.764 3.932 ( -1.295 3.343 0.165) 3.589 4.073 ( 0.068 -0.467 7.547) 7.562 4.473 ( -2.212 -7.511 -2.575) 8.243 4.566 ( -0.516 -0.520 0.199) 0.759 5.191 ( 2.532 6.445 -4.115) 8.055 5.739 ( -0.525 -3.293 1.597) 3.697 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 3.887 1.541 2.453) 4.847 0.739 ( 3.433 4.235 3.838) 6.668 0.912 ( 1.962 1.737 -1.502) 3.021 0.967 ( 1.445 1.609 0.386) 2.197 1.072 ( 2.621 2.249 -3.373) 4.827 1.338 ( -1.946 -3.406 2.396) 4.597 1.396 ( -1.152 -3.457 -0.107) 3.646 1.480 ( -1.833 -1.091 1.759) 2.765 1.587 ( -2.336 -2.718 0.881) 3.691 1.641 ( -1.427 -3.201 0.468) 3.536 2.193 ( -2.965 0.440 -2.473) 3.886 2.293 ( 0.631 -2.721 -1.123) 3.010 2.993 ( 3.175 0.776 1.995) 3.830 3.054 ( 0.516 5.386 3.388) 6.384 3.180 ( 0.526 0.288 -3.246) 3.301 3.292 ( -0.734 1.345 -1.629) 2.236 3.415 ( 2.321 -2.244 0.159) 3.232 3.901 ( 0.525 1.256 0.660) 1.513 3.924 ( -2.220 2.958 1.222) 3.895 4.108 ( 0.531 0.251 5.893) 5.922 4.343 ( -3.796 -6.188 -3.696) 8.146 4.547 ( -0.395 -1.918 0.150) 1.964 5.283 ( 3.525 5.716 -2.827) 7.286 5.700 ( -0.844 -3.681 0.716) 3.844 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.610 0.680 0.571) 1.077 0.838 ( 3.796 1.924 2.470) 4.921 0.929 ( -0.699 0.691 -0.861) 1.307 1.043 ( 4.461 1.736 0.964) 4.883 1.100 ( 1.505 -1.727 -2.752) 3.580 1.288 ( -1.359 -0.667 0.166) 1.523 1.365 ( -0.624 -0.865 0.289) 1.105 1.443 ( -2.705 -0.159 1.188) 2.958 1.537 ( -1.082 -2.243 0.318) 2.510 1.593 ( -0.753 -3.033 0.160) 3.129 2.153 ( -1.201 0.044 -0.373) 1.258 2.273 ( 0.499 -2.039 -1.079) 2.360 2.995 ( -2.499 1.662 -1.146) 3.212 3.096 ( -4.153 3.840 5.230) 7.704 3.223 ( 7.134 -2.622 -1.370) 7.723 3.312 ( -1.367 3.975 0.065) 4.204 3.462 ( 6.998 -0.799 -2.820) 7.586 3.839 ( -5.766 -2.872 3.075) 7.138 3.974 ( 1.113 3.468 0.042) 3.642 4.154 ( 1.642 1.738 2.584) 3.520 4.209 ( -4.962 -3.125 -3.131) 6.647 4.523 ( 0.547 -3.231 0.017) 3.277 5.377 ( 2.817 4.968 -1.378) 5.875 5.653 ( -0.639 -3.974 0.002) 4.025 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -0.698 0.487 -0.272) 0.894 0.875 ( -3.040 -1.661 -1.126) 3.643 0.924 ( 1.367 1.453 0.871) 2.177 1.082 ( 0.448 -2.973 -1.026) 3.177 1.112 ( 3.310 -1.633 0.717) 3.760 1.284 ( -0.184 1.427 -0.622) 1.567 1.359 ( -0.720 2.349 0.487) 2.505 1.406 ( -2.455 0.527 0.670) 2.598 1.520 ( 0.947 -1.251 -0.011) 1.570 1.569 ( 1.230 -2.559 -0.111) 2.842 2.155 ( 0.608 0.807 1.481) 1.793 2.266 ( 1.432 -1.596 -0.915) 2.331 2.964 ( -2.339 2.512 -2.367) 4.169 3.090 ( -2.577 2.135 4.122) 5.309 3.270 ( 2.826 -5.595 -1.527) 6.452 3.318 ( -2.655 6.438 0.930) 7.026 3.593 ( 9.716 0.340 -2.271) 9.984 3.709 ( -6.686 -5.451 3.095) 9.165 3.998 ( -0.476 1.156 -1.461) 1.923 4.093 ( -5.607 0.362 -2.980) 6.360 4.229 ( 3.033 2.809 2.702) 4.939 4.510 ( 1.822 -3.327 -0.146) 3.796 5.437 ( -0.620 3.383 0.107) 3.441 5.619 ( 1.439 -3.165 -0.734) 3.553 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -2.511 -1.145 -0.791) 2.871 0.779 ( -5.288 -1.156 -0.873) 5.482 0.947 ( -0.066 0.655 0.170) 0.680 1.020 ( -3.698 -2.232 -0.467) 4.344 1.159 ( 2.861 -1.072 0.484) 3.093 1.287 ( -0.370 0.311 0.031) 0.485 1.380 ( -1.005 1.317 -1.059) 1.967 1.394 ( 1.468 1.572 0.965) 2.357 1.537 ( 1.952 -0.394 0.128) 1.995 1.588 ( 2.979 -0.879 -0.251) 3.116 2.195 ( 1.546 1.900 1.786) 3.031 2.281 ( 2.492 -1.433 -0.827) 2.991 2.951 ( -0.845 1.950 -1.220) 2.451 3.071 ( -3.904 0.443 1.538) 4.219 3.241 ( 1.341 -3.307 -0.669) 3.631 3.341 ( -1.445 3.403 1.210) 3.890 3.563 ( -6.761 -3.143 0.213) 7.459 3.739 ( 8.305 -0.098 -0.569) 8.325 3.978 ( -1.444 0.614 -2.720) 3.140 3.999 ( -5.582 0.091 0.572) 5.612 4.324 ( 4.491 2.125 1.159) 5.101 4.519 ( 2.336 -1.888 -0.195) 3.010 5.413 ( -4.203 0.632 0.609) 4.294 5.639 ( 3.234 -0.784 -0.724) 3.406 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -6.147 0.000 0.000) 6.147 0.683 ( -6.157 0.000 0.000) 6.157 0.938 ( -1.676 0.000 0.000) 1.676 0.958 ( -1.886 0.000 0.000) 1.886 1.151 ( -3.339 0.000 0.000) 3.339 1.285 ( 0.232 -0.000 -0.000) 0.232 1.401 ( 2.974 -0.000 -0.000) 2.974 1.433 ( 1.926 -0.000 -0.000) 1.926 1.576 ( 3.037 -0.000 -0.000) 3.037 1.635 ( 3.082 -0.000 -0.000) 3.082 2.241 ( 1.579 -0.000 -0.000) 1.579 2.308 ( 2.162 -0.000 -0.000) 2.162 2.957 ( 0.488 -0.000 -0.000) 0.488 2.993 ( -4.959 0.000 0.000) 4.959 3.262 ( 2.739 -0.000 -0.000) 2.739 3.349 ( 0.315 -0.000 -0.000) 0.315 3.431 ( -7.851 0.000 0.000) 7.851 3.848 ( 5.114 -0.000 -0.000) 5.114 3.917 ( -4.158 0.000 0.000) 4.158 3.954 ( -1.325 0.000 0.000) 1.325 4.421 ( 5.806 -0.000 -0.000) 5.806 4.544 ( 1.669 -0.000 -0.000) 1.669 5.338 ( -5.318 0.000 0.000) 5.318 5.684 ( 2.619 -0.000 -0.000) 2.619 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.000 7.231 -1.158) 7.323 0.669 ( -0.000 6.435 5.626) 8.547 0.885 ( -0.000 3.827 -1.241) 4.023 0.953 ( -0.000 0.664 0.091) 0.671 1.029 ( -0.000 1.084 -2.241) 2.490 1.358 ( 0.000 -4.670 1.779) 4.997 1.428 ( 0.000 -4.549 0.033) 4.549 1.509 ( 0.000 -2.579 2.602) 3.663 1.653 ( 0.000 -2.508 0.081) 2.509 1.656 ( 0.000 -4.503 2.527) 5.163 2.257 ( 0.000 -1.991 1.445) 2.460 2.280 ( -0.000 -1.125 -4.921) 5.048 2.829 ( -0.000 3.714 -3.129) 4.857 3.069 ( -0.000 3.708 2.476) 4.458 3.213 ( -0.000 8.489 -1.313) 8.590 3.328 ( 0.000 -5.294 1.581) 5.525 3.380 ( 0.000 -4.106 0.720) 4.169 3.865 ( -0.000 1.987 1.312) 2.381 3.979 ( -0.000 3.795 0.089) 3.796 4.100 ( 0.000 -0.140 5.473) 5.475 4.399 ( 0.000 -9.092 -2.117) 9.335 4.570 ( 0.000 -0.336 0.036) 0.337 5.213 ( -0.000 6.576 -3.806) 7.598 5.715 ( 0.000 -3.890 0.974) 4.010 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.673 3.163 0.287) 4.151 0.760 ( 1.265 4.911 3.711) 6.284 0.904 ( 0.034 1.667 -1.567) 2.289 0.978 ( 0.702 3.528 0.455) 3.626 1.050 ( 1.369 3.048 -2.817) 4.371 1.323 ( 0.327 -4.350 0.686) 4.416 1.368 ( -1.063 -5.536 -0.143) 5.639 1.484 ( -0.301 -3.381 1.153) 3.585 1.610 ( -2.094 -1.734 1.154) 2.954 1.632 ( -0.780 -2.805 1.017) 3.084 2.225 ( -2.180 -0.535 -2.907) 3.673 2.257 ( 0.605 -1.826 0.123) 1.928 2.902 ( 6.323 1.743 -1.214) 6.670 3.084 ( -0.785 1.020 -0.913) 1.578 3.250 ( -4.051 -2.053 2.212) 5.052 3.310 ( 1.932 2.581 -0.444) 3.255 3.370 ( 0.135 2.805 2.035) 3.468 3.906 ( 1.210 2.339 1.647) 3.106 3.996 ( -2.095 2.740 0.718) 3.523 4.123 ( 0.389 0.700 2.220) 2.360 4.293 ( -0.922 -9.278 -1.512) 9.445 4.553 ( -1.422 -0.824 -0.056) 1.644 5.276 ( 2.301 5.958 -2.800) 6.974 5.676 ( -0.491 -4.185 0.384) 4.231 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 2.269 0.427 0.848) 2.460 0.827 ( 1.329 2.834 1.999) 3.714 0.920 ( 1.561 0.507 -1.030) 1.938 1.029 ( 0.482 2.926 0.501) 3.007 1.073 ( -0.044 0.909 -2.339) 2.510 1.291 ( 0.048 -2.146 0.056) 2.147 1.334 ( 2.022 -2.176 0.043) 2.971 1.456 ( 0.013 -2.502 -0.107) 2.504 1.559 ( -2.948 -1.294 0.613) 3.277 1.591 ( -1.883 -2.032 0.789) 2.880 2.181 ( -1.840 0.579 -0.973) 2.161 2.247 ( 0.088 -1.494 -0.244) 1.517 3.019 ( 4.442 -1.093 3.395) 5.697 3.072 ( 2.057 -0.204 -5.432) 5.811 3.184 ( -2.574 0.077 1.516) 2.988 3.332 ( 4.384 -4.436 -1.448) 6.402 3.447 ( -3.025 11.624 3.881) 12.622 3.909 ( -3.911 -2.292 1.174) 4.683 3.997 ( -0.225 2.801 1.469) 3.170 4.143 ( 1.061 1.651 -5.191) 5.549 4.208 ( -0.185 -5.911 3.412) 6.828 4.511 ( -2.007 -1.641 -0.100) 2.595 5.367 ( 3.468 5.186 -1.538) 6.425 5.626 ( -0.943 -4.304 0.016) 4.406 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.421 0.017 0.105) 0.434 0.886 ( 1.660 2.089 0.640) 2.744 0.926 ( -0.974 -1.030 -0.282) 1.446 1.032 ( 1.669 -1.836 -0.836) 2.618 1.078 ( 0.252 0.553 0.170) 0.631 1.294 ( 0.492 0.506 -0.271) 0.756 1.373 ( 1.979 1.741 0.370) 2.662 1.433 ( -0.626 -1.710 -0.215) 1.834 1.510 ( -1.192 -0.633 0.051) 1.351 1.545 ( -1.675 -1.749 0.341) 2.446 2.171 ( -0.488 1.333 0.730) 1.596 2.232 ( 0.263 -1.466 -0.596) 1.604 3.013 ( -2.438 1.039 -0.806) 2.771 3.106 ( 2.817 -2.531 0.254) 3.796 3.189 ( 1.174 -0.394 0.152) 1.247 3.398 ( 6.961 0.375 -1.611) 7.154 3.497 ( -3.330 6.735 3.062) 8.114 3.781 ( -6.649 -4.809 0.498) 8.221 4.013 ( -0.864 0.849 -0.490) 1.307 4.136 ( -0.516 0.392 -3.121) 3.187 4.220 ( 1.956 0.507 2.662) 3.342 4.468 ( -0.607 -1.927 -0.084) 2.023 5.463 ( 2.804 4.854 -0.371) 5.618 5.568 ( -0.751 -4.592 -0.230) 4.659 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.213 0.000 0.000) 1.213 0.850 ( -4.502 0.000 0.000) 4.502 0.944 ( 1.395 -0.000 -0.000) 1.395 1.045 ( -0.162 0.000 0.000) 0.162 1.099 ( 2.858 -0.000 -0.000) 2.858 1.296 ( -0.453 0.000 0.000) 0.453 1.401 ( -1.038 0.000 0.000) 1.038 1.404 ( -0.558 0.000 0.000) 0.558 1.518 ( 0.081 -0.000 -0.000) 0.081 1.529 ( 2.899 -0.000 -0.000) 2.899 2.187 ( 1.009 -0.000 -0.000) 1.009 2.235 ( 1.559 -0.000 -0.000) 1.559 2.980 ( -1.930 0.000 0.000) 1.930 3.119 ( -0.634 0.000 0.000) 0.634 3.198 ( 1.186 -0.000 -0.000) 1.186 3.423 ( -4.733 0.000 0.000) 4.733 3.584 ( 9.720 -0.000 -0.000) 9.720 3.649 ( -6.340 0.000 0.000) 6.340 3.995 ( -1.230 0.000 0.000) 1.230 4.090 ( -4.565 0.000 0.000) 4.565 4.276 ( 3.277 -0.000 -0.000) 3.277 4.470 ( 1.983 -0.000 -0.000) 1.983 5.485 ( -3.624 0.000 0.000) 3.624 5.569 ( 4.343 -0.000 -0.000) 4.343 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -0.000 1.998 -0.902) 2.192 0.815 ( -0.000 4.575 2.925) 5.430 0.913 ( -0.000 0.612 -1.119) 1.275 1.016 ( -0.000 5.827 0.336) 5.837 1.066 ( -0.000 5.205 -2.314) 5.696 1.269 ( 0.000 -5.380 -0.463) 5.400 1.318 ( 0.000 -6.949 -0.235) 6.953 1.447 ( 0.000 -4.632 0.884) 4.715 1.618 ( 0.000 -1.231 -0.013) 1.231 1.629 ( 0.000 -0.953 1.972) 2.190 2.221 ( -0.000 -0.859 -2.532) 2.674 2.244 ( 0.000 -0.752 1.056) 1.297 2.859 ( -0.000 2.065 -2.082) 2.932 3.092 ( -0.000 0.208 -0.838) 0.863 3.250 ( 0.000 -5.403 -1.588) 5.632 3.259 ( 0.000 -3.269 1.086) 3.445 3.497 ( -0.000 13.156 6.104) 14.503 3.924 ( -0.000 1.766 1.708) 2.457 4.041 ( -0.000 2.415 0.145) 2.419 4.126 ( -0.000 1.330 -5.079) 5.250 4.204 ( 0.000 -10.816 3.862) 11.484 4.561 ( 0.000 -0.481 -0.083) 0.488 5.297 ( -0.000 5.113 -2.113) 5.532 5.643 ( 0.000 -3.919 0.110) 3.920 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 2.124 0.345 -0.124) 2.156 0.861 ( -0.038 2.927 1.940) 3.511 0.902 ( -0.321 -0.183 -1.236) 1.290 1.067 ( -1.516 3.338 -0.262) 3.676 1.099 ( -0.975 4.314 -0.857) 4.506 1.236 ( 2.158 -4.578 -0.313) 5.071 1.274 ( 2.812 -3.083 -0.200) 4.178 1.418 ( 0.509 -2.971 0.199) 3.021 1.593 ( -1.912 -0.629 0.043) 2.014 1.617 ( -1.678 -0.388 0.940) 1.962 2.201 ( -0.724 0.058 -0.906) 1.161 2.241 ( -0.286 -0.450 0.379) 0.653 2.910 ( 5.132 0.164 -0.537) 5.163 3.080 ( -1.183 0.262 -0.989) 1.564 3.209 ( 0.110 -0.887 -1.244) 1.532 3.235 ( 0.839 -3.681 0.803) 3.860 3.623 ( -2.163 10.361 5.056) 11.730 3.931 ( -1.398 -1.727 -0.422) 2.262 4.040 ( -1.355 0.841 1.513) 2.198 4.090 ( 1.261 -1.871 -7.441) 7.775 4.173 ( 0.991 -3.010 4.881) 5.819 4.539 ( -2.031 -0.429 -0.075) 2.077 5.351 ( 2.493 3.288 -1.023) 4.251 5.606 ( -0.734 -2.767 0.004) 2.863 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 2.067 -0.000 -0.000) 2.067 0.879 ( 0.314 -0.000 -0.000) 0.314 0.913 ( 1.838 -0.000 -0.000) 1.838 1.027 ( -2.606 0.000 0.000) 2.606 1.097 ( -1.494 0.000 0.000) 1.494 1.263 ( 3.050 -0.000 -0.000) 3.050 1.333 ( 4.118 -0.000 -0.000) 4.118 1.411 ( 0.589 -0.000 -0.000) 0.589 1.548 ( -3.045 0.000 0.000) 3.045 1.580 ( -2.669 0.000 0.000) 2.669 2.190 ( -0.693 0.000 0.000) 0.693 2.230 ( -0.752 0.000 0.000) 0.752 3.007 ( 6.508 -0.000 -0.000) 6.508 3.052 ( -2.052 0.000 0.000) 2.052 3.198 ( -1.153 0.000 0.000) 1.153 3.270 ( 5.914 -0.000 -0.000) 5.914 3.634 ( -4.839 0.000 0.000) 4.839 3.847 ( -5.143 0.000 0.000) 5.143 4.036 ( -1.324 0.000 0.000) 1.324 4.101 ( 3.035 -0.000 -0.000) 3.035 4.195 ( 1.780 -0.000 -0.000) 1.780 4.493 ( -2.868 0.000 0.000) 2.868 5.422 ( 4.219 -0.000 -0.000) 4.219 5.571 ( -1.724 0.000 0.000) 1.724 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 0.000 0.000) 0.000 0.875 ( 0.000 -0.000 -0.000) 0.000 0.912 ( 0.000 -0.000 0.000) 0.000 1.128 ( 0.000 -0.000 0.000) 0.000 1.156 ( 0.000 -0.000 0.000) 0.000 1.164 ( -0.000 0.000 -0.000) 0.000 1.199 ( -0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 -0.000 0.000) 0.000 1.633 ( -0.000 0.000 -0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.243 ( -0.000 0.000 0.000) 0.000 2.869 ( 0.000 -0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.232 ( -0.000 0.000 0.000) 0.000 3.714 ( 0.000 -0.000 -0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 -0.000 0.000) 0.000 4.065 ( -0.000 0.000 0.000) 0.000 4.163 ( -0.000 0.000 -0.000) 0.000 4.555 ( -0.000 0.000 0.000) 0.000 5.343 ( -0.000 0.000 0.000) 0.000 5.599 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 0.000 -0.000 12.200) 12.200 0.177 ( 0.000 -0.000 12.200) 12.200 0.360 ( 0.000 -0.000 24.197) 24.197 1.005 ( 0.000 -0.000 0.114) 0.114 1.005 ( 0.000 -0.000 0.114) 0.114 1.503 ( 0.000 -0.000 3.287) 3.287 1.534 ( 0.000 -0.000 0.042) 0.042 1.766 ( 0.000 -0.000 0.757) 0.757 1.766 ( 0.000 -0.000 0.757) 0.757 1.993 ( 0.000 -0.000 1.539) 1.539 2.319 ( -0.000 0.000 -5.556) 5.556 2.319 ( -0.000 0.000 -5.556) 5.556 2.736 ( 0.000 -0.000 5.610) 5.610 2.736 ( 0.000 -0.000 5.610) 5.610 3.252 ( -0.000 0.000 -11.022) 11.022 3.537 ( -0.000 0.000 -0.914) 0.914 3.537 ( -0.000 0.000 -0.914) 0.914 3.807 ( -0.000 0.000 -0.409) 0.409 3.807 ( -0.000 0.000 -0.409) 0.409 4.026 ( 0.000 -0.000 8.986) 8.986 4.561 ( 0.000 -0.000 0.543) 0.543 4.561 ( 0.000 -0.000 0.543) 0.543 4.995 ( -0.000 0.000 -2.479) 2.479 5.950 ( 0.000 -0.000 0.119) 0.119 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 10.047 5.801 4.385) 12.402 0.382 ( 7.324 4.229 8.651) 12.098 0.551 ( 6.811 3.932 15.932) 17.767 0.997 ( -0.765 -0.441 0.220) 0.910 1.021 ( 0.590 0.341 -1.668) 1.802 1.514 ( -0.643 -0.371 4.046) 4.114 1.523 ( -1.047 -0.604 0.040) 1.209 1.619 ( -12.831 -7.408 12.130) 19.148 1.761 ( -1.291 -0.745 1.237) 1.937 1.764 ( -3.822 -2.207 2.377) 5.013 2.211 ( -3.296 -1.903 -6.117) 7.204 2.408 ( 2.613 1.508 -6.968) 7.593 2.778 ( 4.804 2.773 2.188) 5.962 2.873 ( 5.172 2.986 6.772) 9.029 3.096 ( -2.767 -1.597 -3.661) 4.859 3.468 ( -3.908 -2.256 -1.539) 4.768 3.515 ( -3.460 -1.998 0.238) 4.003 3.821 ( 1.280 0.739 -0.469) 1.550 3.829 ( 1.644 0.949 -0.950) 2.123 4.053 ( -0.421 -0.243 8.523) 8.537 4.569 ( 0.376 0.217 0.651) 0.782 4.666 ( -0.641 -0.370 -3.936) 4.005 5.007 ( 4.239 2.448 -4.635) 6.741 5.835 ( -4.260 -2.459 5.068) 7.063 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 8.261 4.770 4.985) 10.763 0.552 ( 5.287 3.052 4.242) 7.434 0.770 ( 8.351 4.821 5.013) 10.868 0.981 ( -0.568 -0.328 0.488) 0.817 1.017 ( 0.293 0.169 -2.030) 2.058 1.458 ( -6.829 -3.943 7.976) 11.216 1.488 ( -2.301 -1.329 0.001) 2.657 1.510 ( -1.605 -0.927 3.139) 3.646 1.700 ( -3.367 -1.944 1.504) 4.168 1.721 ( -2.698 -1.558 0.858) 3.232 2.143 ( -0.817 -0.472 -3.518) 3.642 2.392 ( -1.103 -0.637 -3.573) 3.793 2.916 ( 4.976 2.873 0.432) 5.762 2.978 ( 1.463 0.845 3.194) 3.613 3.087 ( 4.734 2.733 -3.881) 6.704 3.396 ( -1.756 -1.014 1.098) 2.306 3.418 ( -5.188 -2.995 0.806) 6.045 3.845 ( 0.766 0.442 0.105) 0.891 3.858 ( 1.607 0.928 -1.881) 2.643 4.083 ( -0.213 -0.123 7.289) 7.293 4.559 ( -6.458 -3.729 -2.311) 7.807 4.581 ( 0.428 0.247 0.586) 0.766 5.107 ( 6.229 3.597 -4.447) 8.457 5.789 ( -2.331 -1.346 2.788) 3.875 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 1.765 1.019 0.492) 2.097 0.705 ( 6.247 3.607 5.509) 9.077 0.908 ( 2.276 1.314 -0.007) 2.629 0.995 ( 1.979 1.143 0.776) 2.414 1.053 ( 5.101 2.945 -3.358) 6.780 1.378 ( -3.713 -2.144 5.339) 6.848 1.421 ( -3.959 -2.285 -0.057) 4.571 1.474 ( -2.923 -1.688 2.349) 4.112 1.634 ( -3.131 -1.808 1.175) 3.802 1.667 ( -2.298 -1.327 0.305) 2.671 2.136 ( 0.723 0.417 -0.659) 1.063 2.348 ( -1.396 -0.806 -2.578) 3.041 2.960 ( -2.749 -1.587 -1.110) 3.363 2.960 ( 0.124 0.072 2.063) 2.068 3.255 ( 7.880 4.550 -2.873) 9.542 3.326 ( -0.872 -0.503 -0.164) 1.020 3.408 ( 1.076 0.621 3.373) 3.595 3.849 ( -0.675 -0.390 1.134) 1.376 3.884 ( 1.731 0.999 -1.747) 2.655 4.112 ( 0.141 0.081 5.730) 5.733 4.389 ( -7.932 -4.579 -3.173) 9.693 4.590 ( 0.193 0.111 0.345) 0.410 5.221 ( 5.792 3.344 -2.954) 7.311 5.750 ( -2.210 -1.276 1.279) 2.855 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.227 -0.131 -0.680) 0.729 0.847 ( 4.510 2.604 3.727) 6.404 0.912 ( -0.560 -0.323 -1.080) 1.259 1.072 ( 4.572 2.640 0.306) 5.288 1.158 ( 5.093 2.940 -3.698) 6.947 1.319 ( -5.229 -3.019 -0.178) 6.041 1.334 ( -2.377 -1.372 3.352) 4.332 1.409 ( -3.831 -2.212 1.882) 4.807 1.583 ( -1.733 -1.000 0.394) 2.039 1.631 ( -1.065 -0.615 0.060) 1.231 2.154 ( 0.639 0.369 0.817) 1.101 2.315 ( -0.587 -0.339 -2.056) 2.164 2.894 ( -2.032 -1.173 -1.580) 2.828 2.973 ( -0.284 -0.164 4.677) 4.689 3.239 ( -1.404 -0.811 -1.132) 1.977 3.435 ( 0.008 0.004 0.785) 0.785 3.499 ( 9.560 5.519 -1.891) 11.200 3.828 ( -1.898 -1.096 1.874) 2.884 3.919 ( 1.746 1.008 0.044) 2.017 4.147 ( 1.321 0.762 2.589) 3.005 4.194 ( -8.343 -4.817 -3.057) 10.107 4.592 ( -0.064 -0.037 -0.036) 0.082 5.322 ( 4.231 2.443 -1.425) 5.089 5.707 ( -1.926 -1.112 0.035) 2.224 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.295 0.171 -0.448) 0.563 0.869 ( -2.868 -1.656 -1.313) 3.562 0.924 ( 1.092 0.631 1.118) 1.686 1.155 ( -0.999 -0.577 -0.296) 1.191 1.226 ( 0.638 0.368 -0.341) 0.812 1.239 ( 3.776 2.180 -2.076) 4.829 1.311 ( -0.522 -0.301 1.278) 1.413 1.330 ( -4.016 -2.319 1.116) 4.769 1.564 ( -0.139 -0.080 0.060) 0.171 1.619 ( -0.078 -0.045 -0.107) 0.140 2.164 ( -0.128 -0.074 1.124) 1.133 2.307 ( 0.705 0.407 -1.520) 1.724 2.875 ( 0.864 0.499 -0.406) 1.078 2.989 ( -0.560 -0.323 6.139) 6.172 3.234 ( 1.224 0.707 -0.596) 1.534 3.411 ( -1.676 -0.968 -2.807) 3.410 3.629 ( 1.347 0.778 -1.513) 2.170 3.801 ( -0.440 -0.254 2.373) 2.427 3.953 ( 0.807 0.466 1.980) 2.188 4.012 ( -5.487 -3.168 -6.363) 8.980 4.211 ( 3.294 1.902 3.117) 4.917 4.588 ( -0.141 -0.081 -0.426) 0.456 5.379 ( 0.994 0.574 0.020) 1.148 5.676 ( -0.457 -0.264 -1.110) 1.229 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.255 -0.147 -0.738) 0.795 0.756 ( -6.702 -3.870 -1.528) 7.889 0.935 ( -0.111 -0.064 0.335) 0.359 1.047 ( -5.206 -3.006 -1.303) 6.151 1.221 ( -4.796 -2.769 -2.826) 6.217 1.280 ( 0.135 0.078 0.765) 0.781 1.323 ( 5.250 3.031 0.078) 6.062 1.365 ( 3.770 2.177 1.281) 4.538 1.576 ( 1.192 0.688 -0.111) 1.381 1.627 ( 0.895 0.517 -0.237) 1.060 2.166 ( -0.022 -0.013 1.552) 1.552 2.331 ( 1.947 1.124 -0.956) 2.443 2.916 ( 2.320 1.340 -0.066) 2.680 3.002 ( -0.886 -0.511 5.447) 5.542 3.276 ( 2.331 1.346 1.142) 2.924 3.350 ( -1.891 -1.091 -4.275) 4.800 3.528 ( -7.722 -4.458 -2.744) 9.329 3.831 ( 0.548 0.316 3.228) 3.289 3.921 ( -0.378 -0.218 -5.354) 5.372 3.966 ( -0.714 -0.412 2.665) 2.789 4.321 ( 5.747 3.318 1.193) 6.742 4.583 ( -0.131 -0.076 -0.617) 0.635 5.361 ( -2.605 -1.504 0.688) 3.085 5.681 ( 1.299 0.750 -1.561) 2.165 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -8.035 -4.639 -1.035) 9.336 0.588 ( -5.241 -3.026 -2.907) 6.714 0.905 ( -3.883 -2.242 -0.316) 4.495 0.966 ( -1.280 -0.739 -0.975) 1.771 1.104 ( -3.852 -2.224 -1.877) 4.828 1.293 ( 0.933 0.539 1.401) 1.768 1.424 ( 3.863 2.230 0.178) 4.464 1.440 ( 2.262 1.306 1.007) 2.800 1.619 ( 2.906 1.678 0.209) 3.362 1.657 ( 1.969 1.137 -0.309) 2.295 2.189 ( 1.425 0.823 2.752) 3.207 2.372 ( 1.872 1.081 -1.027) 2.393 2.932 ( -1.073 -0.620 -3.061) 3.303 2.995 ( -1.629 -0.941 2.603) 3.212 3.325 ( 1.632 0.942 -1.634) 2.494 3.326 ( -3.746 -2.163 0.472) 4.351 3.346 ( -1.810 -1.045 -0.872) 2.265 3.843 ( 0.111 0.064 0.740) 0.751 3.921 ( 0.972 0.561 -0.514) 1.235 3.947 ( -2.017 -1.165 2.091) 3.130 4.459 ( 6.495 3.750 -0.050) 7.500 4.577 ( -0.224 -0.129 -0.486) 0.551 5.284 ( -4.422 -2.553 0.100) 5.107 5.708 ( 1.571 0.907 -0.949) 2.047 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -8.605 -4.968 0.864) 9.974 0.406 ( -9.241 -5.335 -4.784) 11.694 0.738 ( -11.250 -6.495 2.489) 13.227 0.969 ( 1.142 0.660 -0.261) 1.345 1.062 ( -0.304 -0.176 -0.766) 0.842 1.346 ( 3.219 1.858 3.157) 4.876 1.474 ( 0.673 0.388 1.121) 1.363 1.490 ( 2.168 1.252 0.095) 2.506 1.695 ( 3.443 1.988 1.215) 4.157 1.703 ( 2.262 1.306 -0.260) 2.625 2.255 ( 3.226 1.862 3.697) 5.248 2.389 ( 0.663 0.383 -3.736) 3.814 2.840 ( -4.809 -2.776 -5.344) 7.707 2.946 ( -3.942 -2.276 1.259) 4.722 3.183 ( -4.718 -2.724 -0.731) 5.497 3.401 ( 4.739 2.736 1.092) 5.580 3.408 ( 3.522 2.033 0.214) 4.072 3.846 ( -0.058 -0.033 0.011) 0.067 3.900 ( -2.802 -1.618 0.829) 3.340 3.946 ( 0.583 0.337 3.482) 3.546 4.569 ( -0.350 -0.202 -0.124) 0.423 4.595 ( 6.216 3.589 -0.798) 7.222 5.177 ( -5.115 -2.953 -1.673) 6.139 5.737 ( 1.254 0.724 0.668) 1.594 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 0.000 2.534 7.672) 8.079 0.413 ( -0.000 5.570 11.163) 12.475 0.646 ( -0.000 7.708 12.083) 14.332 0.994 ( 0.000 -1.145 0.124) 1.151 1.021 ( -0.000 1.003 -1.092) 1.483 1.524 ( 0.000 -1.140 0.063) 1.142 1.536 ( 0.000 -0.616 4.579) 4.620 1.656 ( 0.000 -14.042 8.085) 16.203 1.750 ( 0.000 -1.998 0.700) 2.117 1.820 ( 0.000 -5.141 5.661) 7.647 2.248 ( -0.000 1.608 -8.071) 8.230 2.317 ( -0.000 1.031 -4.170) 4.295 2.732 ( 0.000 -0.728 3.451) 3.527 2.900 ( -0.000 3.644 2.879) 4.644 3.103 ( -0.000 0.199 -2.146) 2.155 3.471 ( 0.000 -3.333 -1.221) 3.549 3.514 ( 0.000 -3.163 0.378) 3.185 3.829 ( -0.000 1.440 -0.845) 1.669 3.832 ( -0.000 3.102 -0.842) 3.215 4.090 ( 0.000 -0.761 7.380) 7.419 4.569 ( 0.000 0.178 0.635) 0.660 4.650 ( -0.000 0.109 -3.227) 3.229 4.986 ( -0.000 4.059 -3.930) 5.650 5.854 ( 0.000 -5.463 4.094) 6.826 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 11.105 4.055 3.161) 12.237 0.538 ( 3.021 4.440 8.627) 10.162 0.765 ( 2.178 5.130 5.128) 7.573 0.978 ( -0.390 -1.504 0.180) 1.564 1.020 ( -0.347 0.580 -1.300) 1.465 1.502 ( -1.160 -1.779 0.066) 2.125 1.527 ( -2.991 -7.180 4.562) 9.017 1.545 ( -2.383 -3.086 6.276) 7.389 1.723 ( -1.387 -3.090 1.216) 3.599 1.759 ( -3.634 -2.846 2.828) 5.413 2.185 ( -4.039 3.543 -4.521) 7.022 2.347 ( 2.525 -1.420 -4.114) 5.032 2.827 ( 8.661 1.426 1.990) 9.000 2.946 ( 1.575 1.127 1.250) 2.305 3.100 ( -1.390 2.947 -1.231) 3.483 3.423 ( -2.181 -1.435 0.828) 2.739 3.459 ( -2.712 -3.824 1.185) 4.836 3.834 ( 0.353 1.082 -0.773) 1.376 3.865 ( 0.224 3.358 -0.909) 3.486 4.111 ( -0.071 -0.472 4.932) 4.955 4.574 ( 0.159 -0.345 0.483) 0.614 4.590 ( -3.125 -5.167 -1.374) 6.193 5.049 ( 3.725 6.047 -4.211) 8.257 5.812 ( -1.451 -3.464 2.790) 4.678 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 5.328 1.399 1.878) 5.820 0.675 ( 4.974 4.904 5.472) 8.873 0.865 ( 4.358 2.281 0.041) 4.919 0.966 ( 0.739 -0.964 0.125) 1.221 1.022 ( 0.958 1.661 -1.906) 2.704 1.431 ( -3.383 -4.818 4.529) 7.427 1.453 ( -2.462 -2.507 0.195) 3.519 1.514 ( -2.444 -1.592 2.528) 3.860 1.657 ( -2.794 -3.934 1.673) 5.107 1.695 ( -2.541 -2.154 0.648) 3.394 2.153 ( -1.765 2.606 -1.820) 3.635 2.331 ( 0.146 -2.020 -3.003) 3.622 2.981 ( 2.763 0.462 0.940) 2.955 2.987 ( 0.012 3.471 4.411) 5.612 3.119 ( 6.196 2.548 -4.232) 7.924 3.347 ( -3.754 -4.560 0.879) 5.972 3.432 ( -0.168 0.883 2.345) 2.511 3.858 ( 1.292 1.898 -0.423) 2.335 3.885 ( -0.983 2.319 0.083) 2.520 4.126 ( 0.257 -0.120 1.717) 1.740 4.450 ( -6.247 -5.965 -0.741) 8.669 4.578 ( 0.528 -1.113 0.362) 1.284 5.160 ( 4.996 5.592 -3.158) 8.136 5.768 ( -1.599 -2.950 1.373) 3.626 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.079 1.030 -0.109) 1.039 0.813 ( 4.624 2.659 3.867) 6.589 0.914 ( 0.107 0.260 -0.822) 0.869 1.015 ( 4.997 1.247 0.415) 5.167 1.077 ( 4.572 2.167 -3.321) 6.053 1.348 ( -3.760 -4.387 1.657) 6.011 1.392 ( -2.718 -1.501 1.516) 3.456 1.461 ( -3.332 -1.337 0.899) 3.701 1.592 ( -1.709 -3.187 1.096) 3.779 1.641 ( -1.681 -1.930 0.105) 2.561 2.152 ( 0.035 0.443 0.366) 0.576 2.300 ( -0.091 -1.550 -2.302) 2.777 2.949 ( -4.404 1.950 -2.141) 5.271 3.032 ( -1.598 4.128 6.403) 7.784 3.257 ( -2.309 -1.267 -0.766) 2.743 3.304 ( 11.316 -1.425 0.165) 11.406 3.456 ( 1.896 0.786 -0.478) 2.107 3.871 ( -2.765 0.448 1.902) 3.386 3.910 ( 1.769 2.894 0.339) 3.408 4.131 ( 0.477 0.321 -4.027) 4.068 4.284 ( -7.375 -4.766 2.131) 9.036 4.574 ( 0.727 -1.993 0.016) 2.122 5.277 ( 4.547 4.791 -1.849) 6.859 5.717 ( -1.612 -2.892 0.153) 3.314 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.767 1.197 -0.548) 1.523 0.893 ( -1.865 -0.621 -1.099) 2.252 0.905 ( 2.687 0.976 1.588) 3.270 1.109 ( 4.130 0.571 -0.348) 4.183 1.153 ( 4.818 -1.247 -1.471) 5.189 1.258 ( -3.209 -1.063 -0.555) 3.426 1.349 ( -2.397 -0.257 1.901) 3.070 1.395 ( -4.000 0.042 -0.183) 4.005 1.556 ( -0.095 -2.081 0.678) 2.191 1.610 ( -0.046 -1.726 -0.143) 1.733 2.162 ( 0.629 -0.494 1.595) 1.784 2.284 ( 0.758 -0.891 -1.773) 2.124 2.901 ( -2.559 2.612 -1.836) 4.091 3.065 ( -2.758 3.333 7.253) 8.445 3.231 ( -0.006 1.762 -1.205) 2.134 3.371 ( 1.643 -5.017 -1.847) 5.593 3.562 ( 7.744 2.089 -0.876) 8.068 3.816 ( -3.424 -3.306 2.921) 5.584 3.960 ( 0.662 2.007 0.058) 2.114 4.066 ( -4.895 0.072 -6.828) 8.401 4.212 ( -0.302 0.295 4.530) 4.550 4.566 ( 0.996 -2.402 -0.353) 2.625 5.369 ( 2.349 3.519 -0.601) 4.274 5.668 ( -0.787 -2.466 -0.956) 2.760 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.535 0.506 -0.719) 1.029 0.816 ( -5.164 -2.809 -0.708) 5.921 0.936 ( 0.416 0.336 0.147) 0.554 1.084 ( -3.950 -4.438 -0.891) 6.008 1.192 ( 3.377 -2.545 -0.817) 4.306 1.270 ( 1.458 1.804 -0.763) 2.442 1.326 ( -1.665 2.516 -1.889) 3.560 1.366 ( 0.038 2.468 2.756) 3.700 1.554 ( 1.210 -1.047 0.422) 1.655 1.606 ( 1.296 -1.031 -0.296) 1.682 2.178 ( 0.342 0.627 1.883) 2.014 2.293 ( 2.124 -0.388 -1.658) 2.722 2.903 ( 0.437 2.199 -0.436) 2.284 3.071 ( -3.101 1.463 5.723) 6.671 3.269 ( 1.289 3.542 0.192) 3.774 3.317 ( -0.031 -4.609 -3.852) 6.007 3.590 ( -4.896 -1.945 -4.363) 6.840 3.796 ( 4.250 -3.107 5.230) 7.421 3.938 ( -2.951 0.893 -3.535) 4.691 4.004 ( -2.577 1.108 2.458) 3.730 4.274 ( 3.971 2.892 0.406) 4.929 4.561 ( 1.215 -2.114 -0.561) 2.502 5.397 ( -1.779 1.147 0.094) 2.119 5.650 ( 1.471 -0.859 -1.558) 2.309 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -4.066 -3.600 -1.264) 5.576 0.693 ( -6.580 -1.380 0.351) 6.732 0.935 ( -1.074 0.040 -0.369) 1.137 0.979 ( -3.061 -2.296 -0.637) 3.879 1.149 ( -4.053 -0.912 -3.302) 5.307 1.291 ( 0.663 0.028 1.370) 1.522 1.375 ( 4.093 2.182 -0.375) 4.653 1.426 ( 2.075 1.666 2.187) 3.444 1.580 ( 2.574 -0.156 0.339) 2.601 1.630 ( 2.261 0.304 -0.301) 2.301 2.207 ( 0.482 2.486 2.000) 3.227 2.324 ( 2.902 -0.834 -1.864) 3.549 2.931 ( 0.234 1.222 -0.682) 1.419 3.035 ( -3.600 -1.873 3.069) 5.087 3.277 ( 1.792 -1.962 -2.204) 3.452 3.329 ( 1.524 2.463 1.625) 3.321 3.427 ( -7.974 -1.700 -5.934) 10.084 3.861 ( 0.865 0.007 3.504) 3.609 3.905 ( 0.150 0.192 1.035) 1.063 3.979 ( -2.093 -1.023 2.366) 3.320 4.384 ( 5.999 3.093 -1.169) 6.850 4.561 ( 1.075 -1.362 -0.444) 1.791 5.342 ( -4.624 -0.664 -0.716) 4.726 5.678 ( 2.399 0.433 -0.759) 2.554 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -7.320 -2.647 1.561) 7.939 0.565 ( -9.091 0.040 0.533) 9.106 0.868 ( -7.226 -0.987 -0.403) 7.304 0.952 ( 0.710 -0.054 -0.096) 0.719 1.073 ( -2.344 0.185 -2.260) 3.261 1.323 ( 2.374 0.103 3.625) 4.335 1.453 ( 3.489 0.756 0.101) 3.571 1.469 ( 1.221 0.077 1.794) 2.172 1.639 ( 4.218 -0.017 0.692) 4.274 1.678 ( 2.684 0.994 0.230) 2.872 2.258 ( 1.486 2.130 1.415) 2.958 2.339 ( 1.826 -1.690 -2.301) 3.389 2.895 ( -4.684 1.393 -2.440) 5.462 2.979 ( -1.907 -2.017 1.181) 3.017 3.248 ( -5.817 -1.317 -4.815) 7.666 3.341 ( 3.675 0.629 0.013) 3.728 3.379 ( 1.907 0.825 1.926) 2.833 3.859 ( -1.306 1.045 -0.174) 1.682 3.923 ( -0.735 -2.221 1.373) 2.713 3.963 ( 0.092 0.204 6.045) 6.049 4.506 ( 6.849 1.870 -1.688) 7.298 4.564 ( 0.530 -0.487 -0.054) 0.722 5.240 ( -5.898 -0.977 -2.432) 6.454 5.720 ( 2.080 0.656 0.832) 2.334 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -0.000 6.466 3.339) 7.277 0.601 ( -0.000 4.718 8.676) 9.876 0.806 ( -0.000 3.581 1.355) 3.828 0.968 ( 0.000 -1.545 0.204) 1.559 1.018 ( -0.000 -0.086 -1.304) 1.307 1.490 ( 0.000 -8.319 3.134) 8.890 1.492 ( 0.000 -2.436 0.059) 2.436 1.563 ( 0.000 -2.350 4.680) 5.237 1.708 ( 0.000 -2.993 0.521) 3.038 1.772 ( 0.000 -5.568 4.000) 6.856 2.243 ( -0.000 2.696 -5.404) 6.039 2.288 ( -0.000 -0.605 -2.116) 2.201 2.763 ( -0.000 1.619 0.865) 1.836 2.978 ( -0.000 5.675 3.371) 6.600 3.126 ( -0.000 1.291 -1.356) 1.872 3.437 ( 0.000 -1.347 1.491) 2.009 3.441 ( 0.000 -5.243 1.575) 5.474 3.839 ( -0.000 1.062 -0.348) 1.117 3.897 ( -0.000 4.482 -1.021) 4.597 4.122 ( 0.000 -0.563 1.767) 1.854 4.553 ( 0.000 -7.215 -0.130) 7.217 4.575 ( 0.000 -0.107 0.474) 0.486 5.062 ( -0.000 7.090 -3.690) 7.993 5.798 ( 0.000 -4.186 2.109) 4.688 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 7.224 4.295 2.178) 8.681 0.694 ( 1.739 4.472 6.237) 7.869 0.844 ( 0.978 2.950 -1.183) 3.326 0.956 ( -0.025 -0.600 0.310) 0.676 1.013 ( 0.402 0.308 -1.564) 1.644 1.426 ( -0.605 -6.208 2.169) 6.604 1.455 ( -1.290 -3.499 0.038) 3.729 1.544 ( -1.731 -2.503 2.635) 4.025 1.667 ( -1.814 -3.632 1.018) 4.186 1.711 ( -2.261 -4.435 2.063) 5.389 2.204 ( -2.789 1.572 -3.317) 4.610 2.289 ( 1.025 -1.586 -1.971) 2.730 2.862 ( 8.810 1.366 0.329) 8.921 3.059 ( -0.628 4.152 5.031) 6.554 3.127 ( -1.192 6.066 -1.241) 6.305 3.363 ( -3.260 -5.366 1.337) 6.419 3.431 ( 0.404 -2.841 1.198) 3.109 3.862 ( 0.850 2.573 0.590) 2.774 3.930 ( -0.711 4.001 -0.523) 4.098 4.119 ( 0.184 -0.308 -2.170) 2.200 4.460 ( -2.710 -7.984 1.376) 8.543 4.569 ( -0.507 -0.782 0.318) 0.985 5.139 ( 2.942 6.866 -2.900) 8.013 5.759 ( -0.774 -4.160 1.207) 4.400 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 3.083 1.122 1.614) 3.656 0.792 ( 2.787 2.704 3.453) 5.196 0.889 ( 2.689 1.847 -1.618) 3.641 0.973 ( 1.573 2.066 0.488) 2.642 1.033 ( 1.952 1.721 -2.230) 3.427 1.366 ( -2.403 -4.992 1.589) 5.764 1.395 ( -0.522 -3.654 0.107) 3.693 1.494 ( -2.212 -1.956 0.328) 2.972 1.603 ( -2.503 -2.988 1.366) 4.130 1.648 ( -1.962 -3.236 0.468) 3.813 2.169 ( -1.523 0.540 -0.664) 1.747 2.274 ( 0.179 -1.617 -1.584) 2.271 3.018 ( 0.894 1.801 1.390) 2.444 3.056 ( 5.606 0.059 -2.575) 6.169 3.214 ( -1.708 4.921 7.598) 9.212 3.280 ( -1.258 0.938 -0.267) 1.592 3.412 ( 1.137 -3.831 -0.522) 4.030 3.913 ( 0.776 2.329 0.915) 2.620 3.938 ( -1.816 3.178 0.772) 3.741 4.101 ( 0.342 0.029 -6.831) 6.839 4.343 ( -4.169 -6.413 3.581) 8.445 4.548 ( -0.432 -2.091 0.067) 2.137 5.249 ( 4.101 6.195 -1.869) 7.661 5.708 ( -1.180 -4.152 0.337) 4.330 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.349 0.720 0.186) 0.822 0.864 ( 2.932 0.787 1.090) 3.226 0.918 ( -0.344 1.018 -0.614) 1.238 1.055 ( 4.451 1.802 0.698) 4.852 1.066 ( 2.071 -0.830 -2.113) 3.073 1.291 ( -2.241 -1.632 0.134) 2.776 1.373 ( -0.161 -1.248 0.873) 1.532 1.445 ( -2.340 -0.335 -0.971) 2.555 1.548 ( -1.530 -2.723 1.338) 3.398 1.594 ( -1.025 -2.907 -0.134) 3.085 2.161 ( -0.089 0.168 1.471) 1.483 2.256 ( 0.297 -1.351 -1.320) 1.912 2.971 ( -3.850 2.023 -1.766) 4.694 3.164 ( -1.971 1.363 3.032) 3.865 3.203 ( 6.096 -2.856 -1.249) 6.847 3.333 ( -2.823 3.773 2.415) 5.295 3.445 ( 6.989 0.491 1.505) 7.166 3.865 ( -4.734 -3.311 -0.019) 5.777 3.975 ( -0.010 2.803 -0.020) 2.803 4.079 ( 0.334 2.069 -6.613) 6.937 4.259 ( -2.961 -2.344 4.576) 5.933 4.522 ( 0.443 -3.243 -0.195) 3.279 5.361 ( 3.471 5.471 -0.880) 6.538 5.649 ( -1.113 -4.070 -0.469) 4.246 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.038 0.548 -0.423) 1.248 0.864 ( -3.413 -1.336 -0.339) 3.681 0.930 ( 1.068 1.099 0.082) 1.535 1.068 ( 1.152 -2.574 -0.951) 2.976 1.116 ( 2.774 -1.503 -0.175) 3.160 1.275 ( -0.266 2.064 -0.566) 2.157 1.365 ( -1.443 0.843 0.354) 1.708 1.411 ( -1.620 1.715 -0.255) 2.373 1.525 ( 0.852 -1.920 0.851) 2.266 1.566 ( 1.044 -2.462 -0.271) 2.688 2.181 ( 0.906 0.629 2.020) 2.302 2.249 ( 1.242 -1.277 -1.536) 2.352 2.940 ( -1.922 2.888 -0.883) 3.580 3.143 ( -1.681 -0.562 2.972) 3.460 3.240 ( 1.966 -4.266 -2.743) 5.440 3.330 ( -2.721 6.989 0.281) 7.506 3.576 ( 4.374 -0.536 0.267) 4.414 3.742 ( -2.071 -5.811 1.460) 6.340 3.975 ( -1.608 1.613 -0.947) 2.467 4.076 ( -2.552 1.945 0.227) 3.217 4.253 ( 1.300 1.407 0.603) 2.008 4.507 ( 1.704 -3.155 -0.334) 3.601 5.437 ( -0.138 3.820 -0.111) 3.825 5.605 ( 1.027 -2.910 -1.177) 3.303 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -2.732 -0.389 -0.099) 2.761 0.779 ( -5.064 -0.751 0.831) 5.187 0.945 ( -0.227 0.683 -0.495) 0.874 1.018 ( -3.649 -1.740 0.070) 4.043 1.149 ( 2.085 -0.642 -1.860) 2.867 1.288 ( 0.017 0.386 0.112) 0.402 1.356 ( 0.114 2.274 -1.592) 2.779 1.424 ( 0.713 0.396 2.286) 2.427 1.540 ( 1.967 -0.723 0.380) 2.129 1.584 ( 2.975 -0.605 -0.253) 3.046 2.213 ( 1.527 0.236 0.539) 1.636 2.263 ( 2.318 -0.206 -1.542) 2.792 2.950 ( -0.339 2.432 1.069) 2.678 3.100 ( -4.395 -2.042 2.656) 5.527 3.217 ( 1.706 -1.524 -2.757) 3.582 3.356 ( -1.176 3.078 0.841) 3.401 3.498 ( -5.795 -0.700 -7.077) 9.174 3.796 ( 6.678 -3.045 6.439) 9.764 3.956 ( -2.689 1.981 0.073) 3.341 4.030 ( -3.900 -0.845 3.330) 5.197 4.316 ( 4.308 2.038 -2.281) 5.284 4.516 ( 2.293 -1.559 -0.219) 2.782 5.412 ( -4.414 0.479 -0.904) 4.531 5.631 ( 3.405 0.164 -0.469) 3.441 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -5.002 1.803 2.543) 5.894 0.697 ( -6.143 0.392 2.034) 6.483 0.930 ( -1.973 0.327 -1.048) 2.258 0.962 ( -1.865 0.307 0.399) 1.932 1.122 ( -3.603 1.170 -3.447) 5.122 1.304 ( 1.677 -0.481 2.248) 2.846 1.398 ( 3.326 0.474 -0.238) 3.368 1.450 ( 1.637 -1.045 2.070) 2.839 1.578 ( 3.186 -0.271 0.345) 3.216 1.636 ( 3.207 0.317 0.180) 3.227 2.226 ( 1.494 -2.716 -1.967) 3.671 2.304 ( 2.240 2.005 -0.537) 3.054 2.967 ( -0.861 1.221 1.478) 2.102 3.009 ( -4.708 -1.880 2.339) 5.583 3.239 ( 2.106 0.790 -3.434) 4.105 3.328 ( -1.838 -1.791 -3.027) 3.968 3.414 ( -3.464 3.291 -0.676) 4.826 3.883 ( 3.448 -1.849 2.780) 4.800 3.912 ( -3.568 -0.092 -0.023) 3.570 4.003 ( -1.166 -0.149 6.847) 6.948 4.398 ( 6.062 0.017 -3.164) 6.838 4.545 ( 1.722 0.360 0.122) 1.763 5.320 ( -5.774 -0.030 -2.288) 6.211 5.690 ( 2.943 0.739 0.724) 3.120 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.000 5.489 1.067) 5.592 0.749 ( -0.000 4.033 5.599) 6.900 0.865 ( -0.000 3.718 -1.536) 4.022 0.958 ( -0.000 0.726 0.631) 0.962 1.003 ( -0.000 0.486 -1.525) 1.600 1.375 ( 0.000 -6.151 0.855) 6.210 1.428 ( 0.000 -4.641 -0.060) 4.641 1.539 ( 0.000 -3.904 1.609) 4.223 1.656 ( 0.000 -2.729 0.278) 2.743 1.695 ( 0.000 -5.079 2.648) 5.728 2.220 ( -0.000 -0.180 -3.113) 3.119 2.263 ( 0.000 -0.640 -0.672) 0.928 2.801 ( -0.000 2.316 -0.769) 2.440 3.095 ( 0.000 -0.324 1.300) 1.340 3.236 ( -0.000 11.592 3.890) 12.227 3.357 ( 0.000 -5.496 2.397) 5.996 3.386 ( 0.000 -3.899 0.602) 3.945 3.885 ( -0.000 2.914 1.437) 3.249 3.972 ( -0.000 4.400 -1.081) 4.531 4.094 ( -0.000 -0.469 -6.190) 6.208 4.408 ( 0.000 -9.186 3.109) 9.698 4.572 ( 0.000 -0.582 0.329) 0.668 5.168 ( -0.000 7.031 -2.247) 7.382 5.729 ( 0.000 -4.632 0.896) 4.718 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 3.978 2.037 0.972) 4.574 0.811 ( 0.440 3.254 3.521) 4.814 0.883 ( -0.188 2.098 -1.244) 2.447 0.987 ( 0.787 3.731 0.855) 3.908 1.020 ( 0.966 2.639 -1.533) 3.201 1.331 ( 0.869 -5.318 0.731) 5.438 1.367 ( -1.129 -5.634 0.014) 5.746 1.493 ( -0.890 -4.140 0.190) 4.239 1.620 ( -1.692 -2.132 0.510) 2.769 1.652 ( -1.622 -3.022 1.246) 3.649 2.195 ( -1.335 0.205 -0.825) 1.583 2.255 ( -0.042 -0.837 -0.645) 1.058 2.886 ( 7.742 1.346 -0.932) 7.913 3.079 ( -1.914 -0.166 0.556) 2.000 3.270 ( -2.304 -5.093 0.025) 5.590 3.322 ( 1.290 -2.483 1.954) 3.413 3.424 ( -1.610 10.738 5.781) 12.301 3.925 ( 0.720 2.098 0.888) 2.389 3.996 ( -1.237 3.383 -0.881) 3.709 4.055 ( 0.494 -0.486 -9.333) 9.359 4.331 ( -1.057 -8.314 4.487) 9.506 4.554 ( -1.505 -1.004 0.238) 1.824 5.246 ( 2.537 6.489 -1.385) 7.103 5.683 ( -0.649 -4.624 0.564) 4.704 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 2.158 -0.329 0.683) 2.287 0.852 ( 0.588 1.991 1.422) 2.516 0.908 ( 1.882 0.985 -0.650) 2.221 1.031 ( -0.089 0.967 -0.261) 1.006 1.056 ( 0.492 3.367 -0.080) 3.404 1.291 ( -0.174 -3.160 0.036) 3.165 1.342 ( 2.334 -1.747 1.113) 3.121 1.448 ( -0.417 -2.660 -0.987) 2.868 1.568 ( -2.658 -1.919 0.705) 3.353 1.598 ( -2.346 -1.994 0.013) 3.079 2.182 ( -0.923 0.736 1.018) 1.559 2.240 ( -0.324 -0.961 -0.790) 1.286 3.004 ( 3.395 -1.131 -3.968) 5.343 3.070 ( 2.909 0.653 3.668) 4.727 3.199 ( -1.875 -1.742 0.607) 2.631 3.321 ( 3.111 -4.216 -0.027) 5.239 3.522 ( -3.580 11.059 6.441) 13.290 3.888 ( -3.574 -3.747 -5.189) 7.331 4.013 ( -0.788 2.914 0.709) 3.101 4.045 ( 2.577 2.195 -5.595) 6.539 4.274 ( -0.514 -5.136 4.084) 6.582 4.511 ( -2.123 -1.679 0.058) 2.707 5.351 ( 3.736 5.721 -0.638) 6.863 5.627 ( -1.239 -4.366 0.234) 4.545 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.118 -0.082 0.003) 0.144 0.891 ( 0.852 1.846 0.241) 2.048 0.923 ( -0.380 -0.987 -0.175) 1.072 1.023 ( 1.287 -0.867 -0.425) 1.609 1.080 ( 0.360 0.279 0.143) 0.477 1.291 ( 0.554 0.776 -0.192) 0.973 1.384 ( 1.204 1.196 1.214) 2.086 1.424 ( 0.334 -0.966 -1.084) 1.490 1.514 ( -1.603 -1.457 0.400) 2.203 1.546 ( -1.599 -1.703 -0.244) 2.349 2.186 ( -0.091 0.313 1.386) 1.424 2.222 ( -0.034 -0.825 -0.897) 1.219 2.989 ( -1.320 1.785 -1.828) 2.876 3.132 ( 2.358 -3.098 2.585) 4.673 3.185 ( 0.089 -0.038 -0.840) 0.846 3.382 ( 5.604 2.108 -0.703) 6.028 3.558 ( -3.423 2.225 5.599) 6.930 3.747 ( -4.684 -3.862 -5.259) 8.032 4.012 ( -1.191 1.100 0.458) 1.685 4.103 ( 1.621 3.289 -1.393) 3.922 4.251 ( 0.106 -2.084 1.560) 2.605 4.467 ( -0.680 -1.791 -0.081) 1.918 5.460 ( 3.197 5.271 -0.104) 6.165 5.565 ( -1.345 -4.268 -0.206) 4.480 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.043 0.399 0.192) 1.133 0.857 ( -4.266 0.497 0.927) 4.393 0.940 ( 1.489 -0.335 -0.483) 1.601 1.046 ( 0.098 1.014 0.045) 1.020 1.091 ( 2.176 -0.236 -0.979) 2.398 1.297 ( -0.436 0.202 0.099) 0.490 1.385 ( -2.120 1.391 -1.078) 2.756 1.419 ( 0.664 -2.051 1.066) 2.405 1.515 ( 0.330 0.357 -0.275) 0.558 1.531 ( 2.661 -0.093 0.312) 2.681 2.179 ( 0.475 -2.065 -0.925) 2.311 2.238 ( 1.500 1.477 0.227) 2.117 2.986 ( -0.940 1.384 0.833) 1.869 3.130 ( -0.848 -3.080 1.077) 3.371 3.189 ( 0.947 2.402 -1.106) 2.808 3.423 ( -4.600 -1.507 0.084) 4.842 3.531 ( 0.119 2.238 -4.981) 5.462 3.693 ( 3.213 -2.494 4.108) 5.781 4.006 ( -1.291 0.899 1.132) 1.939 4.108 ( -3.560 0.375 2.485) 4.357 4.258 ( 2.463 -0.703 -2.508) 3.585 4.470 ( 1.996 0.197 -0.011) 2.005 5.480 ( -3.956 -0.411 -0.598) 4.022 5.570 ( 4.340 1.240 0.060) 4.514 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -1.643 0.958 0.916) 2.111 0.802 ( -4.817 1.807 2.398) 5.676 0.940 ( -0.090 -0.763 -0.719) 1.053 1.030 ( -3.684 2.702 0.865) 4.650 1.137 ( 2.137 1.687 -2.372) 3.611 1.287 ( -0.057 -0.500 0.058) 0.507 1.368 ( 0.493 -0.426 -0.824) 1.050 1.417 ( 1.137 -2.723 2.231) 3.700 1.536 ( 2.075 0.369 -0.093) 2.110 1.591 ( 2.985 1.013 0.197) 3.158 2.169 ( 1.284 -1.926 -1.753) 2.903 2.284 ( 2.095 1.726 -0.371) 2.740 2.982 ( -0.702 -1.372 2.796) 3.193 3.058 ( -3.081 -4.949 0.066) 5.830 3.239 ( 0.092 5.731 -0.827) 5.791 3.323 ( -1.699 -3.265 -1.249) 3.886 3.514 ( -4.592 6.288 -4.464) 8.975 3.787 ( 6.838 -3.110 4.222) 8.617 3.978 ( -3.601 0.088 -0.600) 3.651 4.063 ( -2.815 -0.444 7.079) 7.631 4.284 ( 4.422 -2.157 -4.607) 6.741 4.522 ( 2.430 2.052 0.147) 3.184 5.398 ( -4.785 -0.465 -1.475) 5.029 5.649 ( 3.418 1.356 0.523) 3.714 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -0.000 1.677 0.264) 1.697 0.856 ( -0.000 2.813 2.824) 3.986 0.899 ( -0.000 0.791 -0.846) 1.159 1.026 ( -0.000 5.556 1.034) 5.652 1.047 ( -0.000 5.464 -0.394) 5.478 1.273 ( 0.000 -5.659 1.231) 5.792 1.315 ( 0.000 -7.062 -0.141) 7.063 1.454 ( 0.000 -4.899 -0.032) 4.899 1.619 ( 0.000 -1.350 0.229) 1.370 1.649 ( 0.000 -1.834 0.676) 1.955 2.204 ( 0.000 -0.003 0.202) 0.202 2.249 ( 0.000 -0.463 -0.451) 0.646 2.835 ( -0.000 2.331 -1.161) 2.604 3.095 ( 0.000 -0.385 1.242) 1.300 3.230 ( 0.000 -4.952 -1.168) 5.088 3.287 ( 0.000 -4.367 2.855) 5.217 3.590 ( -0.000 12.741 6.898) 14.489 3.933 ( -0.000 -0.039 -1.652) 1.653 3.993 ( -0.000 -0.277 -10.185) 10.189 4.033 ( -0.000 2.997 -1.269) 3.255 4.281 ( 0.000 -7.960 4.529) 9.159 4.563 ( 0.000 -0.659 0.402) 0.772 5.278 ( -0.000 5.742 -0.593) 5.772 5.649 ( 0.000 -4.256 0.779) 4.327 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 2.408 0.120 0.475) 2.457 0.886 ( 1.041 0.108 0.375) 1.112 0.890 ( -1.601 1.476 0.668) 2.277 1.066 ( -2.098 2.974 0.404) 3.662 1.102 ( -0.630 5.203 0.895) 5.317 1.238 ( 1.493 -5.166 0.517) 5.402 1.282 ( 3.462 -2.898 1.507) 4.759 1.415 ( 0.135 -2.897 -0.689) 2.981 1.596 ( -1.815 -0.825 0.306) 2.017 1.620 ( -1.837 -1.079 -0.540) 2.198 2.204 ( -0.514 0.302 1.215) 1.354 2.239 ( -0.453 -0.347 -0.783) 0.969 2.895 ( 4.942 1.025 -1.306) 5.213 3.093 ( -0.664 0.068 2.499) 2.586 3.199 ( 0.550 -1.182 -0.262) 1.330 3.258 ( -0.083 -3.859 2.399) 4.544 3.693 ( -2.616 5.667 5.104) 8.063 3.874 ( -2.324 -0.616 -8.820) 9.142 3.996 ( 2.437 1.958 -4.105) 5.160 4.048 ( -0.140 2.290 -0.394) 2.328 4.236 ( 0.370 -5.890 3.484) 6.853 4.541 ( -2.111 -0.546 0.416) 2.219 5.344 ( 2.480 4.046 0.097) 4.746 5.612 ( -0.854 -3.027 0.869) 3.263 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 1.876 -0.445 0.126) 1.932 0.874 ( 0.597 -1.822 -0.642) 2.022 0.918 ( 1.288 0.919 0.622) 1.700 1.036 ( -2.692 0.871 1.145) 3.052 1.100 ( -1.682 -0.216 0.440) 1.752 1.264 ( 2.856 0.580 0.210) 2.922 1.344 ( 3.724 -1.701 1.423) 4.335 1.408 ( 0.850 1.371 -0.470) 1.680 1.549 ( -3.132 -0.430 0.072) 3.162 1.572 ( -2.484 -0.310 -0.997) 2.695 2.200 ( -1.034 -0.574 1.328) 1.778 2.224 ( -0.495 0.599 -0.722) 1.061 2.970 ( 3.701 1.285 -2.913) 4.882 3.105 ( 0.432 -0.851 4.971) 5.062 3.197 ( -1.558 -0.127 -0.073) 1.565 3.284 ( 5.948 0.361 1.895) 6.253 3.628 ( -4.000 -7.963 -0.947) 8.962 3.812 ( -5.443 6.222 -4.313) 9.324 4.016 ( 0.898 -0.332 -2.273) 2.466 4.100 ( 2.211 4.522 -0.521) 5.061 4.216 ( 1.089 -4.015 2.411) 4.808 4.496 ( -2.989 -0.007 0.300) 3.004 5.425 ( 4.047 0.933 0.504) 4.184 5.576 ( -1.930 -0.310 0.645) 2.058 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.765 -0.296 -0.223) 0.850 0.873 ( 2.480 -2.721 -1.177) 3.865 0.932 ( -1.333 1.097 0.576) 1.820 1.043 ( 1.463 1.895 0.558) 2.458 1.079 ( -0.572 0.013 0.528) 0.778 1.297 ( 0.456 -0.286 0.090) 0.546 1.374 ( 2.244 -1.875 0.504) 2.967 1.430 ( -1.776 0.971 -0.520) 2.089 1.512 ( -0.450 0.480 0.217) 0.693 1.538 ( -1.400 1.987 -0.599) 2.504 2.168 ( -1.522 -1.464 0.407) 2.150 2.238 ( 0.609 1.879 0.196) 1.985 3.003 ( 0.250 0.900 -1.490) 1.759 3.126 ( -1.360 -1.310 1.881) 2.665 3.183 ( 2.441 1.464 -0.457) 2.883 3.420 ( 3.674 -1.924 0.960) 4.257 3.481 ( 0.421 -5.262 1.339) 5.446 3.748 ( -6.287 4.448 -3.579) 8.493 4.016 ( 0.548 -0.927 -0.218) 1.099 4.150 ( 0.793 1.184 -2.622) 2.985 4.213 ( -0.151 -1.668 3.008) 3.442 4.469 ( -0.682 1.924 0.042) 2.042 5.471 ( 2.105 -4.283 0.664) 4.819 5.570 ( -0.617 4.658 0.078) 4.700 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.356 -0.617 -0.000) 0.713 0.888 ( 0.337 0.584 -0.000) 0.675 0.913 ( -0.598 -1.036 -0.000) 1.196 1.094 ( 1.016 1.759 -0.000) 2.031 1.101 ( 1.992 3.450 -0.000) 3.984 1.289 ( -0.425 -0.736 -0.000) 0.850 1.355 ( -1.697 -2.939 0.000) 3.394 1.400 ( -0.639 -1.106 -0.000) 1.277 1.521 ( 0.713 1.235 -0.000) 1.426 1.570 ( 1.460 2.528 -0.000) 2.919 2.144 ( -0.247 -0.428 -0.000) 0.494 2.273 ( 1.131 1.958 -0.000) 2.261 2.990 ( -0.809 -1.402 0.000) 1.618 3.050 ( -3.247 -5.625 -0.000) 6.495 3.281 ( 3.454 5.982 -0.000) 6.908 3.311 ( -3.134 -5.428 -0.000) 6.268 3.618 ( 3.644 6.312 0.000) 7.288 3.677 ( -0.749 -1.297 -0.000) 1.497 4.007 ( -0.761 -1.317 -0.000) 1.521 4.132 ( -1.077 -1.865 -0.000) 2.154 4.196 ( -0.705 -1.221 0.000) 1.410 4.511 ( 1.932 3.346 -0.000) 3.863 5.436 ( -1.606 -2.782 -0.000) 3.212 5.624 ( 1.806 3.128 -0.000) 3.612 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.000 0.319 0.776) 0.839 0.868 ( 0.000 -1.786 -0.733) 1.930 0.920 ( -0.000 0.429 0.933) 1.026 1.132 ( 0.000 -1.503 0.448) 1.568 1.167 ( -0.000 6.117 1.359) 6.266 1.188 ( 0.000 -5.859 3.318) 6.733 1.202 ( -0.000 1.003 0.444) 1.096 1.395 ( -0.000 -0.176 -0.817) 0.836 1.608 ( 0.000 -0.107 0.244) 0.266 1.622 ( 0.000 -0.780 -1.414) 1.615 2.219 ( 0.000 0.445 1.987) 2.036 2.235 ( -0.000 -0.236 -1.195) 1.218 2.867 ( -0.000 1.643 -0.205) 1.655 3.106 ( 0.000 -0.257 2.068) 2.084 3.188 ( -0.000 1.086 1.002) 1.478 3.251 ( 0.000 -2.084 2.604) 3.335 3.689 ( 0.000 -9.093 -3.508) 9.747 3.913 ( -0.000 5.253 -2.026) 5.631 3.988 ( -0.000 6.597 -5.001) 8.279 4.055 ( -0.000 0.605 -1.470) 1.589 4.199 ( 0.000 -4.363 3.435) 5.553 4.559 ( 0.000 -0.188 0.551) 0.582 5.350 ( -0.000 1.024 0.988) 1.423 5.607 ( 0.000 -0.558 1.129) 1.260 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 1.467 -0.509 0.738) 1.719 0.836 ( 0.036 -4.115 -1.640) 4.430 0.920 ( -0.226 0.182 1.155) 1.190 1.069 ( -1.108 -4.957 0.110) 5.080 1.128 ( -1.989 -2.153 2.945) 4.155 1.246 ( 1.846 4.070 0.955) 4.570 1.283 ( 2.870 2.009 1.024) 3.650 1.411 ( 0.943 3.038 -0.782) 3.276 1.591 ( -2.039 -0.063 -0.962) 2.255 1.600 ( -1.398 0.439 -0.663) 1.608 2.225 ( -1.030 0.244 1.170) 1.578 2.230 ( -0.001 0.858 0.015) 0.859 2.909 ( 3.392 1.188 -0.463) 3.624 3.114 ( 0.308 -0.974 3.031) 3.199 3.228 ( -2.338 -0.860 1.314) 2.816 3.241 ( 2.792 4.072 1.638) 5.202 3.558 ( -1.130 -11.734 -3.759) 12.373 3.918 ( -1.308 1.509 -1.797) 2.687 3.995 ( -1.990 2.321 -5.126) 5.968 4.090 ( 2.392 2.611 -4.196) 5.491 4.199 ( 0.442 0.476 5.604) 5.642 4.543 ( -2.074 0.238 0.507) 2.148 5.370 ( 2.271 -2.233 1.636) 3.581 5.612 ( -0.842 2.102 0.849) 2.418 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 1.853 -1.516 -0.552) 2.457 0.799 ( 1.749 -3.926 -1.924) 4.709 0.934 ( 1.049 -0.120 0.921) 1.401 1.022 ( 0.544 -3.659 -0.458) 3.727 1.112 ( -0.712 0.372 3.059) 3.163 1.289 ( 0.200 0.974 -0.126) 1.003 1.339 ( 1.782 1.933 0.790) 2.745 1.449 ( 0.049 1.758 -1.153) 2.103 1.549 ( -2.495 0.966 -0.790) 2.789 1.583 ( -1.723 2.335 -0.221) 2.910 2.203 ( -2.612 0.062 1.775) 3.158 2.249 ( 0.543 2.101 0.274) 2.187 2.976 ( 3.127 1.388 -2.574) 4.281 3.131 ( 2.328 -2.793 0.232) 3.643 3.172 ( -3.487 -0.039 2.073) 4.057 3.356 ( 4.473 3.309 1.282) 5.710 3.426 ( -0.592 -9.163 1.721) 9.342 3.872 ( -5.426 3.162 -4.027) 7.460 3.973 ( 1.627 -2.072 -1.890) 3.242 4.095 ( 1.391 -1.692 -5.954) 6.344 4.262 ( -0.380 4.458 5.445) 7.048 4.513 ( -2.170 1.439 0.192) 2.611 5.391 ( 2.948 -4.393 1.822) 5.596 5.627 ( -1.043 3.811 0.161) 3.954 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 -1.742 1.583) 2.354 0.777 ( 0.000 -6.351 -2.419) 6.796 0.927 ( 0.000 -0.427 0.853) 0.954 1.017 ( 0.000 -6.105 0.509) 6.126 1.110 ( 0.000 -5.689 3.829) 6.858 1.278 ( -0.000 4.154 0.551) 4.190 1.321 ( -0.000 6.659 0.210) 6.662 1.430 ( -0.000 4.088 -1.607) 4.392 1.600 ( -0.000 0.618 -1.981) 2.075 1.619 ( -0.000 1.096 0.217) 1.118 2.222 ( -0.000 0.669 -2.015) 2.123 2.266 ( -0.000 1.988 3.494) 4.020 2.888 ( 0.000 -0.402 1.878) 1.920 3.107 ( 0.000 -1.480 0.396) 1.532 3.260 ( -0.000 1.109 1.318) 1.723 3.271 ( -0.000 5.163 1.431) 5.357 3.435 ( 0.000 -12.075 -1.941) 12.230 3.896 ( 0.000 -1.935 -1.969) 2.761 4.029 ( 0.000 -1.730 -1.465) 2.267 4.049 ( -0.000 2.693 -9.544) 9.917 4.259 ( -0.000 6.483 5.460) 8.475 4.565 ( 0.000 0.200 0.510) 0.548 5.331 ( 0.000 -4.101 2.487) 4.797 5.646 ( -0.000 3.049 0.594) 3.106 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.572 -4.402 0.437) 4.460 0.714 ( 1.869 -6.267 -2.619) 7.044 0.924 ( 0.292 -1.245 1.197) 1.751 0.975 ( 0.285 -3.521 0.025) 3.533 1.097 ( 1.699 -3.749 3.793) 5.597 1.309 ( -0.252 2.517 -1.174) 2.788 1.371 ( -0.708 5.220 0.241) 5.274 1.460 ( 0.099 2.517 -2.263) 3.386 1.591 ( -1.640 1.980 -1.214) 2.843 1.627 ( -0.825 2.364 0.066) 2.505 2.232 ( 0.777 1.560 -1.430) 2.254 2.285 ( -1.874 2.031 3.413) 4.391 2.918 ( 3.314 -0.799 1.077) 3.576 3.078 ( -0.414 -4.156 -2.357) 4.795 3.245 ( -3.297 1.153 1.774) 3.917 3.338 ( 3.005 -0.142 3.016) 4.260 3.354 ( 0.488 -3.409 0.318) 3.459 3.885 ( 1.637 -1.759 -1.216) 2.693 3.969 ( -3.141 -0.317 -3.932) 5.043 4.034 ( 0.920 -0.903 -6.873) 6.992 4.347 ( -0.435 7.216 4.003) 8.264 4.555 ( -1.514 0.517 0.315) 1.630 5.317 ( 1.925 -5.073 2.697) 6.059 5.673 ( -0.536 3.263 -0.013) 3.307 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 -7.433 2.759) 7.928 0.604 ( 0.000 -8.749 -3.329) 9.361 0.898 ( 0.000 -4.316 0.680) 4.369 0.956 ( 0.000 -0.938 0.493) 1.059 1.066 ( 0.000 -2.288 2.986) 3.762 1.326 ( -0.000 2.301 -2.629) 3.494 1.427 ( -0.000 4.477 -0.126) 4.479 1.469 ( -0.000 2.009 -2.834) 3.474 1.629 ( -0.000 3.899 -1.290) 4.107 1.653 ( -0.000 2.315 0.137) 2.319 2.227 ( -0.000 2.260 -2.649) 3.482 2.341 ( -0.000 1.786 3.404) 3.844 2.881 ( 0.000 -3.303 3.999) 5.187 3.032 ( 0.000 -4.337 -2.660) 5.088 3.269 ( 0.000 -6.989 5.780) 9.070 3.315 ( -0.000 4.101 -0.219) 4.107 3.363 ( -0.000 3.070 -1.663) 3.492 3.851 ( 0.000 -0.902 -0.667) 1.122 3.970 ( 0.000 -3.036 -1.215) 3.270 3.989 ( -0.000 0.944 -8.447) 8.499 4.439 ( -0.000 7.863 2.600) 8.282 4.571 ( 0.000 -0.001 0.272) 0.272 5.263 ( 0.000 -5.653 2.955) 6.379 5.704 ( -0.000 2.707 -0.417) 2.739 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 -0.000 10.210) 10.210 0.334 ( 0.000 -0.000 10.210) 10.210 0.654 ( 0.000 -0.000 17.416) 17.416 1.007 ( 0.000 -0.000 0.190) 0.190 1.007 ( 0.000 -0.000 0.190) 0.190 1.535 ( 0.000 -0.000 0.068) 0.068 1.568 ( 0.000 -0.000 5.644) 5.644 1.781 ( 0.000 -0.000 1.352) 1.352 1.781 ( 0.000 -0.000 1.352) 1.352 2.019 ( 0.000 -0.000 1.849) 1.849 2.228 ( -0.000 0.000 -6.997) 6.997 2.228 ( -0.000 0.000 -6.997) 6.997 2.828 ( 0.000 -0.000 7.073) 7.073 2.828 ( 0.000 -0.000 7.073) 7.073 3.101 ( -0.000 0.000 -9.032) 9.032 3.519 ( -0.000 0.000 -1.680) 1.680 3.519 ( 0.000 0.000 -1.680) 1.680 3.801 ( -0.000 0.000 -0.516) 0.516 3.801 ( -0.000 0.000 -0.516) 0.516 4.134 ( 0.000 -0.000 4.950) 4.950 4.571 ( 0.000 -0.000 0.772) 0.772 4.571 ( 0.000 -0.000 0.772) 0.772 4.963 ( -0.000 0.000 -1.299) 1.299 5.950 ( -0.000 0.000 -0.211) 0.211 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 5.933 3.426 7.295) 10.008 0.488 ( 4.971 2.870 6.319) 8.537 0.749 ( 1.920 1.108 11.631) 11.840 1.000 ( -0.697 -0.402 0.232) 0.838 1.008 ( -0.128 -0.074 -0.424) 0.449 1.524 ( -1.061 -0.613 0.066) 1.227 1.579 ( -1.366 -0.788 4.776) 5.029 1.722 ( -6.848 -3.954 3.300) 8.569 1.781 ( -1.467 -0.847 1.503) 2.264 1.833 ( -9.724 -5.614 6.603) 13.026 2.129 ( -1.949 -1.126 -5.366) 5.819 2.303 ( 4.524 2.612 -7.553) 9.184 2.824 ( 2.355 1.359 4.243) 5.039 2.960 ( 3.736 2.157 5.325) 6.853 3.048 ( -1.005 -0.580 -1.993) 2.306 3.449 ( -2.897 -1.672 -1.079) 3.515 3.515 ( -2.278 -1.315 -0.181) 2.636 3.814 ( 1.420 0.820 -0.572) 1.736 3.815 ( 1.077 0.622 -1.012) 1.603 4.137 ( -0.692 -0.400 2.111) 2.257 4.578 ( 0.314 0.181 0.692) 0.781 4.626 ( 0.497 0.287 -1.678) 1.773 4.962 ( 2.258 1.303 -1.184) 2.863 5.885 ( -3.952 -2.282 2.115) 5.030 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 8.930 5.156 4.179) 11.126 0.595 ( 3.033 1.751 1.854) 3.963 0.839 ( 3.109 1.795 4.243) 5.558 0.987 ( -0.380 -0.220 0.300) 0.532 0.996 ( -0.398 -0.230 -1.020) 1.119 1.488 ( -2.331 -1.346 0.067) 2.692 1.539 ( -4.876 -2.815 2.300) 6.081 1.571 ( -5.618 -3.243 5.843) 8.730 1.732 ( -3.166 -1.828 0.626) 3.709 1.732 ( -4.124 -2.381 3.219) 5.748 2.105 ( 1.005 0.580 -1.734) 2.086 2.328 ( 0.706 0.407 -5.232) 5.295 2.949 ( 5.536 3.196 4.576) 7.861 3.000 ( -1.348 -0.778 -0.056) 1.558 3.057 ( 3.424 1.977 -0.437) 3.978 3.421 ( 0.202 0.116 2.390) 2.401 3.432 ( -5.107 -2.949 1.152) 6.009 3.834 ( 1.390 0.803 -1.382) 2.119 3.848 ( 1.458 0.841 0.201) 1.695 4.128 ( -0.265 -0.153 -1.808) 1.834 4.545 ( -6.512 -3.760 0.599) 7.543 4.588 ( 0.295 0.170 0.433) 0.551 5.057 ( 6.276 3.624 -2.301) 7.604 5.820 ( -3.042 -1.756 1.554) 3.841 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.796 0.460 -0.874) 1.268 0.772 ( 6.034 3.484 3.880) 7.975 0.908 ( 1.205 0.696 -0.130) 1.397 1.001 ( 1.916 1.106 0.058) 2.213 1.012 ( 3.791 2.189 -2.545) 5.063 1.421 ( -4.022 -2.322 0.058) 4.644 1.444 ( -4.263 -2.461 3.523) 6.053 1.499 ( -3.723 -2.149 1.088) 4.434 1.656 ( -3.893 -2.247 2.091) 4.958 1.669 ( -2.463 -1.422 0.101) 2.846 2.138 ( 1.711 0.988 0.930) 2.184 2.305 ( -0.579 -0.334 -3.349) 3.415 2.933 ( -3.269 -1.887 -2.609) 4.589 3.024 ( 0.411 0.238 6.712) 6.729 3.225 ( 8.570 4.948 -1.205) 9.969 3.336 ( -2.247 -1.297 1.667) 3.084 3.445 ( 0.158 0.091 1.620) 1.630 3.869 ( 0.000 0.000 1.547) 1.547 3.871 ( 2.443 1.411 0.008) 2.821 4.104 ( -0.267 -0.154 -6.730) 6.737 4.389 ( -8.023 -4.632 3.126) 9.777 4.593 ( 0.004 0.002 0.033) 0.033 5.187 ( 6.344 3.663 -1.876) 7.562 5.761 ( -2.856 -1.649 0.316) 3.312 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.040 -0.023 -1.154) 1.155 0.888 ( 3.453 1.994 1.923) 4.427 0.899 ( -1.059 -0.612 -0.622) 1.372 1.071 ( 4.459 2.574 -0.457) 5.169 1.113 ( 5.583 3.223 -2.826) 7.039 1.317 ( -5.452 -3.148 -0.152) 6.297 1.380 ( -3.218 -1.858 3.115) 4.849 1.414 ( -3.954 -2.283 -1.556) 4.824 1.595 ( -2.284 -1.319 1.507) 3.038 1.631 ( -1.146 -0.662 -0.104) 1.327 2.173 ( 0.742 0.428 1.870) 2.057 2.283 ( -0.126 -0.072 -2.344) 2.349 2.868 ( -1.238 -0.715 -1.928) 2.400 3.061 ( 0.099 0.057 6.795) 6.796 3.227 ( -1.896 -1.094 -0.585) 2.266 3.426 ( -1.778 -1.027 -1.979) 2.852 3.492 ( 9.209 5.317 1.751) 10.777 3.860 ( -1.674 -0.967 2.447) 3.119 3.934 ( 2.596 1.499 2.033) 3.622 4.038 ( -2.472 -1.427 -10.356) 10.742 4.261 ( -4.751 -2.743 5.136) 7.515 4.589 ( -0.261 -0.150 -0.423) 0.519 5.305 ( 4.935 2.849 -1.086) 5.801 5.701 ( -2.506 -1.447 -0.903) 3.031 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.471 0.272 -0.858) 1.016 0.857 ( -3.035 -1.752 -0.355) 3.523 0.934 ( 0.535 0.309 0.249) 0.666 1.149 ( -1.770 -1.022 -0.567) 2.121 1.214 ( 4.629 2.672 -1.714) 5.613 1.219 ( 1.150 0.664 -0.593) 1.454 1.297 ( -4.980 -2.875 -2.546) 6.289 1.358 ( -0.476 -0.275 1.905) 1.983 1.572 ( -0.552 -0.319 1.228) 1.384 1.617 ( -0.134 -0.077 -0.245) 0.290 2.185 ( -0.240 -0.139 1.852) 1.872 2.282 ( 1.019 0.588 -2.031) 2.348 2.869 ( 1.607 0.928 -0.419) 1.902 3.085 ( -0.870 -0.502 6.191) 6.272 3.221 ( 1.876 1.083 -1.162) 2.459 3.360 ( -2.651 -1.530 -4.250) 5.237 3.608 ( -1.325 -0.765 -0.737) 1.699 3.847 ( 0.929 0.536 3.924) 4.068 3.934 ( -2.928 -1.691 -4.024) 5.256 3.988 ( 1.102 0.636 2.816) 3.090 4.240 ( 1.255 0.725 0.900) 1.706 4.580 ( -0.237 -0.137 -0.744) 0.793 5.376 ( 1.572 0.907 -0.433) 1.866 5.655 ( -0.774 -0.447 -1.844) 2.049 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.896 -0.517 -1.423) 1.760 0.752 ( -6.571 -3.794 0.945) 7.646 0.936 ( -0.247 -0.143 -0.292) 0.409 1.029 ( -5.380 -3.106 -1.147) 6.317 1.168 ( -5.111 -2.951 -4.312) 7.309 1.283 ( 2.097 1.211 -0.184) 2.428 1.323 ( 5.475 3.161 -0.074) 6.323 1.400 ( 2.893 1.671 2.774) 4.342 1.580 ( 0.887 0.512 0.840) 1.325 1.623 ( 0.881 0.509 -0.281) 1.056 2.192 ( 0.316 0.182 2.154) 2.185 2.308 ( 2.235 1.290 -2.385) 3.514 2.908 ( 1.362 0.786 -0.991) 1.859 3.078 ( -2.116 -1.222 4.568) 5.181 3.284 ( 3.740 2.159 -0.159) 4.321 3.294 ( -0.970 -0.560 -3.453) 3.630 3.461 ( -8.273 -4.776 -5.134) 10.845 3.877 ( -1.912 -1.104 0.895) 2.382 3.923 ( 2.021 1.167 7.246) 7.613 4.002 ( -0.972 -0.561 2.396) 2.646 4.313 ( 5.492 3.171 -2.267) 6.734 4.574 ( -0.039 -0.023 -0.695) 0.697 5.358 ( -2.731 -1.577 -1.146) 3.355 5.660 ( 1.748 1.009 -1.310) 2.406 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 -1.109 8.610) 8.681 0.537 ( -0.000 6.349 6.681) 9.217 0.793 ( 0.000 0.279 8.531) 8.536 0.997 ( 0.000 -1.163 0.209) 1.181 1.012 ( -0.000 0.222 -0.340) 0.406 1.525 ( 0.000 -1.142 0.066) 1.143 1.601 ( 0.000 -2.181 4.092) 4.637 1.725 ( 0.000 -9.493 3.011) 9.959 1.763 ( 0.000 -2.365 1.093) 2.605 1.904 ( 0.000 -7.307 5.476) 9.131 2.153 ( -0.000 2.840 -5.609) 6.287 2.240 ( -0.000 3.401 -6.304) 7.163 2.801 ( 0.000 -3.676 5.960) 7.003 2.935 ( 0.000 0.653 2.856) 2.930 3.091 ( -0.000 3.291 0.560) 3.338 3.459 ( 0.000 -1.269 -0.413) 1.334 3.515 ( 0.000 -1.632 -0.307) 1.661 3.815 ( -0.000 1.306 -1.026) 1.661 3.819 ( -0.000 2.774 -1.007) 2.951 4.139 ( 0.000 -0.998 -1.049) 1.448 4.578 ( 0.000 0.060 0.669) 0.672 4.622 ( -0.000 0.909 -0.951) 1.316 4.959 ( -0.000 1.514 0.335) 1.551 5.891 ( 0.000 -4.503 1.412) 4.719 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 8.618 1.890 4.691) 9.992 0.628 ( 0.842 5.648 4.192) 7.084 0.828 ( 1.258 -0.697 3.788) 4.052 0.981 ( -0.415 -1.476 0.216) 1.548 1.006 ( -0.482 0.026 -0.691) 0.843 1.503 ( -1.155 -1.776 0.063) 2.119 1.561 ( -2.053 -5.587 1.077) 6.049 1.629 ( -3.199 -6.138 4.719) 8.377 1.742 ( -0.480 -3.406 1.454) 3.734 1.806 ( -6.029 -4.237 3.488) 8.153 2.133 ( -2.218 4.086 -2.670) 5.361 2.278 ( 2.703 1.231 -5.368) 6.135 2.870 ( 8.006 -0.743 3.929) 8.948 2.984 ( 1.430 2.555 4.157) 5.085 3.090 ( -2.677 0.860 -0.196) 2.819 3.439 ( -1.621 -0.675 1.378) 2.232 3.476 ( -2.124 -2.474 1.226) 3.484 3.823 ( 0.369 1.475 -0.700) 1.674 3.853 ( 0.773 3.507 -0.904) 3.703 4.114 ( -0.314 -0.784 -4.477) 4.556 4.580 ( -0.574 -1.155 0.556) 1.404 4.589 ( -2.108 -3.503 0.891) 4.184 5.013 ( 3.221 4.821 -0.813) 5.855 5.841 ( -1.712 -3.764 1.289) 4.331 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 3.344 1.795 0.530) 3.832 0.734 ( 4.656 5.324 2.982) 7.676 0.867 ( 3.345 -0.302 0.149) 3.362 0.967 ( 0.422 -0.850 0.010) 0.949 1.001 ( 0.389 0.856 -1.118) 1.461 1.452 ( -2.695 -2.733 0.126) 3.840 1.475 ( -2.210 -4.816 1.019) 5.396 1.547 ( -4.005 -3.341 2.288) 5.696 1.686 ( -3.049 -4.862 2.396) 6.219 1.702 ( -3.155 -2.143 0.276) 3.824 2.142 ( -0.044 2.411 0.230) 2.422 2.284 ( 0.549 -0.491 -3.526) 3.602 2.981 ( -1.759 1.365 -1.042) 2.458 3.061 ( 1.825 -0.801 1.307) 2.383 3.100 ( 7.382 6.505 5.821) 11.432 3.364 ( -3.849 -4.979 1.627) 6.500 3.457 ( -0.439 -0.630 1.055) 1.304 3.858 ( 1.578 2.816 0.461) 3.261 3.889 ( -0.025 2.708 0.384) 2.735 4.073 ( -0.441 -0.613 -8.019) 8.055 4.472 ( -5.925 -5.512 3.035) 8.643 4.582 ( 0.347 -1.228 0.127) 1.283 5.128 ( 5.127 5.517 -1.404) 7.661 5.780 ( -2.117 -3.333 0.467) 3.976 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.814 1.849 -0.764) 2.160 0.851 ( 3.752 1.675 1.578) 4.401 0.904 ( 0.359 -0.022 -0.609) 0.708 1.016 ( 5.244 1.976 -0.322) 5.613 1.038 ( 3.602 2.038 -2.203) 4.688 1.360 ( -4.438 -4.258 0.339) 6.160 1.414 ( -1.751 -2.473 0.508) 3.072 1.459 ( -4.177 -2.049 -0.296) 4.662 1.614 ( -1.988 -3.449 1.930) 4.424 1.641 ( -1.873 -2.087 -0.101) 2.806 2.168 ( 0.915 0.299 1.897) 2.127 2.267 ( 0.098 -0.712 -2.288) 2.399 2.919 ( -4.691 2.511 -2.146) 5.737 3.110 ( 0.480 2.795 3.350) 4.389 3.250 ( -2.325 -1.178 -0.178) 2.612 3.342 ( 7.761 -1.135 5.458) 9.556 3.446 ( 1.765 -0.015 -0.372) 1.804 3.895 ( -1.871 0.223 1.070) 2.167 3.923 ( 1.946 2.767 1.240) 3.603 4.016 ( -0.864 0.462 -9.231) 9.283 4.342 ( -5.955 -4.096 4.087) 8.303 4.572 ( 0.495 -2.043 -0.301) 2.123 5.256 ( 4.929 5.074 -1.150) 7.167 5.714 ( -2.228 -3.124 -0.551) 3.876 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.936 1.565 -0.800) 1.991 0.882 ( -1.534 -0.648 -0.453) 1.726 0.917 ( 1.856 0.369 0.105) 1.896 1.097 ( 4.002 0.024 -1.175) 4.171 1.135 ( 5.408 0.666 -1.203) 5.580 1.252 ( -4.229 -1.762 -0.433) 4.602 1.369 ( -4.931 0.288 -2.562) 5.564 1.377 ( -1.242 -0.610 1.253) 1.866 1.575 ( -0.536 -2.356 1.927) 3.090 1.607 ( -0.043 -1.812 -0.339) 1.844 2.190 ( 0.585 -0.372 2.195) 2.302 2.258 ( 0.683 -0.507 -1.922) 2.102 2.883 ( -1.742 2.794 -0.739) 3.374 3.143 ( -1.608 2.442 2.743) 4.009 3.213 ( 0.001 1.239 -1.228) 1.745 3.338 ( -1.040 -4.576 -2.692) 5.410 3.590 ( 5.524 1.135 5.658) 7.988 3.834 ( -1.292 -3.694 -1.803) 4.309 3.941 ( -1.221 0.982 -1.295) 2.033 4.018 ( 0.362 3.770 0.292) 3.798 4.257 ( -2.728 -1.302 1.929) 3.586 4.559 ( 0.795 -2.333 -0.641) 2.547 5.361 ( 2.795 3.924 -0.678) 4.865 5.650 ( -1.397 -2.526 -1.527) 3.265 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.841 0.562 -0.962) 1.396 0.818 ( -4.610 -2.546 0.825) 5.331 0.933 ( 0.302 0.083 -0.626) 0.700 1.073 ( -4.119 -4.068 -0.539) 5.814 1.169 ( 1.373 -2.668 -2.530) 3.925 1.259 ( 2.208 2.766 -0.869) 3.644 1.302 ( -1.429 2.871 -1.580) 3.575 1.396 ( 1.519 2.477 1.523) 3.280 1.568 ( 0.748 -1.432 1.559) 2.245 1.602 ( 1.300 -1.101 -0.342) 1.738 2.205 ( 0.240 0.588 1.901) 2.004 2.264 ( 1.913 -0.408 -2.484) 3.162 2.903 ( 0.578 2.545 0.314) 2.629 3.130 ( -2.602 0.131 1.767) 3.148 3.257 ( 2.004 1.327 -2.494) 3.463 3.267 ( -0.118 -0.513 -2.226) 2.288 3.539 ( -7.871 -4.583 -1.602) 9.248 3.878 ( 5.337 -2.120 5.109) 7.686 3.926 ( -1.540 1.489 2.381) 3.202 4.042 ( -1.763 1.341 2.947) 3.687 4.258 ( 2.685 2.077 -2.694) 4.334 4.552 ( 1.170 -1.896 -0.674) 2.328 5.390 ( -2.087 1.126 -1.055) 2.596 5.628 ( 1.686 -0.339 -1.484) 2.272 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -0.000 2.990 5.359) 6.137 0.696 ( -0.000 5.356 4.296) 6.865 0.822 ( 0.000 -0.724 1.372) 1.551 0.972 ( 0.000 -1.417 0.395) 1.471 1.003 ( 0.000 -0.552 -0.894) 1.050 1.492 ( 0.000 -2.471 0.009) 2.471 1.513 ( 0.000 -7.836 0.642) 7.863 1.623 ( 0.000 -4.674 3.518) 5.850 1.717 ( 0.000 -3.328 0.666) 3.394 1.824 ( 0.000 -6.660 3.046) 7.323 2.184 ( -0.000 2.921 -2.756) 4.016 2.241 ( -0.000 2.108 -4.365) 4.847 2.798 ( 0.000 -1.617 3.840) 4.167 3.050 ( -0.000 8.350 5.632) 10.072 3.115 ( 0.000 -0.527 0.427) 0.678 3.455 ( 0.000 -1.805 1.018) 2.072 3.462 ( 0.000 -4.205 1.356) 4.418 3.837 ( -0.000 2.375 0.086) 2.376 3.878 ( -0.000 4.593 -1.651) 4.881 4.081 ( -0.000 -1.212 -6.836) 6.943 4.568 ( 0.000 -6.030 1.729) 6.273 4.582 ( 0.000 -0.242 0.492) 0.548 5.033 ( -0.000 5.849 -0.485) 5.869 5.820 ( 0.000 -4.495 1.039) 4.614 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 6.432 2.976 2.728) 7.594 0.763 ( 0.322 5.008 3.227) 5.967 0.831 ( 0.940 0.648 -0.242) 1.167 0.962 ( -0.178 -0.386 0.491) 0.649 0.995 ( 0.247 -0.098 -1.013) 1.047 1.443 ( -0.332 -6.290 0.676) 6.335 1.455 ( -1.221 -3.553 0.033) 3.757 1.573 ( -2.334 -4.319 1.520) 5.139 1.681 ( -0.966 -3.953 0.946) 4.178 1.736 ( -3.749 -4.999 1.181) 6.360 2.176 ( -1.422 1.830 -0.572) 2.387 2.254 ( 0.993 0.420 -2.914) 3.107 2.878 ( 8.499 -0.719 1.941) 8.747 3.083 ( -3.306 0.421 -0.835) 3.436 3.181 ( 1.023 10.475 7.156) 12.727 3.383 ( -3.480 -5.172 1.519) 6.416 3.444 ( 0.109 -3.728 0.683) 3.792 3.873 ( 0.793 3.522 0.869) 3.713 3.918 ( 0.277 4.183 -1.152) 4.347 4.030 ( -0.183 -1.316 -8.866) 8.965 4.495 ( -2.390 -7.087 2.690) 7.948 4.574 ( -0.679 -0.871 0.312) 1.148 5.114 ( 2.878 6.550 -0.736) 7.192 5.772 ( -1.062 -4.439 0.649) 4.610 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 2.013 1.315 0.804) 2.535 0.830 ( 1.508 1.955 1.949) 3.146 0.868 ( 2.972 1.948 -1.347) 3.801 0.981 ( 1.477 2.545 0.612) 3.005 1.009 ( 1.491 1.467 -1.201) 2.411 1.380 ( -2.880 -5.182 0.459) 5.946 1.399 ( 0.041 -3.555 0.260) 3.564 1.493 ( -2.913 -3.085 -0.276) 4.252 1.622 ( -2.077 -3.470 1.302) 4.249 1.651 ( -2.506 -3.226 -0.155) 4.088 2.176 ( -0.376 0.666 1.409) 1.603 2.249 ( 0.117 -0.532 -1.816) 1.896 3.015 ( -2.465 -0.475 -1.598) 2.976 3.040 ( 7.059 2.290 0.523) 7.440 3.273 ( -2.831 -4.076 0.106) 4.963 3.348 ( 1.172 9.270 9.323) 13.199 3.403 ( 0.029 -4.183 -0.601) 4.226 3.912 ( -1.062 -0.639 -2.868) 3.124 3.943 ( 0.489 3.862 -0.046) 3.893 3.988 ( 0.773 1.290 -5.763) 5.957 4.396 ( -3.706 -5.766 3.028) 7.493 4.549 ( -0.679 -2.105 -0.033) 2.212 5.231 ( 4.150 6.397 -0.698) 7.657 5.710 ( -1.700 -4.224 0.064) 4.553 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -1.060 0.898 -0.116) 1.394 0.870 ( 1.831 0.518 -0.015) 1.903 0.911 ( 0.375 1.329 -0.536) 1.481 1.042 ( 1.967 -0.269 -1.277) 2.361 1.061 ( 3.910 2.067 0.146) 4.425 1.292 ( -2.747 -2.116 0.032) 3.468 1.383 ( 0.184 -0.349 -0.089) 0.404 1.426 ( -2.921 -0.955 -0.928) 3.211 1.570 ( -1.287 -3.234 1.636) 3.846 1.589 ( -1.068 -2.866 -0.569) 3.111 2.188 ( 0.413 0.059 2.007) 2.050 2.237 ( 0.074 -0.869 -1.431) 1.676 2.955 ( -3.644 1.778 -0.393) 4.074 3.160 ( 3.705 2.298 -2.384) 4.969 3.202 ( -0.718 -3.136 0.403) 3.242 3.343 ( -2.884 -0.199 -0.783) 2.995 3.531 ( 6.346 3.625 9.363) 11.877 3.813 ( -3.313 -4.837 -6.563) 8.801 3.979 ( -0.974 2.570 0.967) 2.913 4.028 ( 2.394 3.613 -1.093) 4.469 4.305 ( -3.660 -2.962 1.890) 5.073 4.518 ( 0.225 -3.136 -0.347) 3.163 5.352 ( 3.637 5.853 -0.477) 6.907 5.641 ( -1.835 -3.919 -0.649) 4.375 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -1.294 0.892 -0.346) 1.609 0.866 ( -2.914 -0.847 0.431) 3.065 0.927 ( 0.698 1.166 -0.521) 1.455 1.053 ( 1.976 -2.056 -1.216) 3.100 1.109 ( 1.530 -1.647 -0.702) 2.355 1.269 ( -0.478 2.516 -0.404) 2.593 1.364 ( -3.746 0.437 -0.884) 3.873 1.404 ( 1.032 2.786 -0.219) 2.979 1.542 ( 0.741 -2.903 1.278) 3.257 1.563 ( 0.985 -2.195 -0.032) 2.406 2.206 ( 0.572 -0.317 1.413) 1.557 2.225 ( 0.857 -0.733 -1.652) 2.000 2.941 ( -1.037 3.174 1.097) 3.515 3.159 ( -0.884 0.093 -1.476) 1.723 3.202 ( 1.154 -3.159 -1.683) 3.761 3.316 ( -2.327 6.190 -2.178) 6.963 3.602 ( -5.447 -5.683 2.723) 8.330 3.761 ( 7.365 -2.279 2.150) 8.004 3.984 ( -1.716 1.950 1.982) 3.267 4.087 ( 0.404 2.828 1.095) 3.060 4.246 ( -1.381 -0.177 -1.545) 2.079 4.501 ( 1.590 -2.868 -0.432) 3.308 5.433 ( -0.404 4.018 -0.486) 4.068 5.588 ( 0.744 -2.397 -1.121) 2.749 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -0.000 3.252 2.535) 4.123 0.820 ( -0.000 2.757 4.500) 5.278 0.845 ( -0.000 4.191 -1.274) 4.380 0.970 ( -0.000 1.048 1.003) 1.451 0.986 ( -0.000 0.400 -0.966) 1.045 1.389 ( 0.000 -6.212 1.392) 6.366 1.426 ( 0.000 -4.709 -0.129) 4.711 1.552 ( 0.000 -5.159 0.308) 5.168 1.660 ( 0.000 -2.878 0.383) 2.903 1.721 ( 0.000 -5.525 0.892) 5.597 2.202 ( -0.000 0.633 0.334) 0.715 2.240 ( -0.000 1.155 -2.517) 2.770 2.809 ( 0.000 -0.050 1.723) 1.724 3.111 ( 0.000 -0.334 1.076) 1.127 3.282 ( -0.000 4.790 1.426) 4.998 3.393 ( 0.000 -4.929 2.676) 5.608 3.413 ( -0.000 2.664 3.434) 4.346 3.901 ( -0.000 2.991 0.718) 3.076 3.950 ( -0.000 4.705 -2.080) 5.145 3.972 ( -0.000 -2.116 -9.418) 9.653 4.451 ( 0.000 -8.092 2.252) 8.399 4.578 ( 0.000 -0.629 0.505) 0.807 5.152 ( -0.000 6.937 -0.223) 6.940 5.740 ( 0.000 -4.759 0.794) 4.825 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 4.022 1.057 1.262) 4.346 0.853 ( -0.567 2.023 2.039) 2.928 0.874 ( -0.213 2.595 0.243) 2.615 1.000 ( 0.613 4.129 0.937) 4.278 1.007 ( 0.640 2.961 -0.270) 3.041 1.348 ( 0.425 -5.323 1.773) 5.627 1.368 ( -0.698 -5.296 0.293) 5.350 1.489 ( -1.315 -4.739 -0.800) 4.982 1.627 ( -1.352 -2.373 0.518) 2.780 1.659 ( -2.170 -3.409 -0.285) 4.051 2.201 ( -0.897 0.700 1.253) 1.692 2.238 ( -0.007 0.028 -1.562) 1.562 2.880 ( 7.041 -0.182 0.248) 7.048 3.097 ( -1.959 0.643 1.837) 2.761 3.262 ( -0.798 -4.724 -0.811) 4.859 3.354 ( -0.314 -4.429 2.375) 5.035 3.508 ( -1.693 12.591 4.742) 13.560 3.889 ( -1.121 -3.362 -7.665) 8.445 3.947 ( 1.723 2.439 -1.314) 3.263 3.986 ( 0.436 3.646 -1.611) 4.010 4.378 ( -0.866 -7.481 1.842) 7.753 4.559 ( -1.710 -0.981 0.480) 2.029 5.237 ( 2.426 6.689 0.044) 7.116 5.692 ( -0.948 -4.539 0.771) 4.701 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 1.773 -0.630 0.365) 1.917 0.866 ( -0.052 1.583 0.640) 1.708 0.905 ( 1.479 1.297 0.196) 1.977 1.030 ( -0.567 1.018 0.370) 1.223 1.060 ( 0.297 4.110 0.344) 4.135 1.292 ( -0.401 -3.584 0.029) 3.607 1.364 ( 1.896 -0.763 1.936) 2.816 1.431 ( -0.660 -2.874 -1.192) 3.180 1.579 ( -2.340 -2.392 0.778) 3.435 1.590 ( -2.373 -2.210 -1.057) 3.411 2.200 ( -0.583 0.679 0.945) 1.301 2.227 ( -0.378 -0.686 -0.711) 1.058 2.964 ( 3.114 -1.741 -1.743) 3.971 3.119 ( 1.777 2.676 3.353) 4.643 3.204 ( -1.646 -2.266 0.118) 2.803 3.329 ( 1.611 -3.357 0.971) 3.848 3.604 ( -2.213 10.332 2.926) 10.964 3.783 ( -2.608 -5.968 -6.088) 8.915 3.999 ( 2.224 1.186 -1.689) 3.035 4.022 ( 0.917 3.955 0.255) 4.067 4.311 ( -0.768 -5.196 1.104) 5.367 4.513 ( -2.470 -1.547 0.272) 2.927 5.348 ( 3.586 6.019 0.084) 7.007 5.632 ( -1.818 -4.062 0.510) 4.479 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.036 -0.063 -0.000) 0.073 0.893 ( 0.999 1.730 -0.000) 1.998 0.922 ( -0.523 -0.905 -0.000) 1.045 1.020 ( 0.070 0.121 -0.000) 0.139 1.081 ( 0.118 0.204 0.000) 0.236 1.289 ( 0.534 0.925 -0.000) 1.068 1.403 ( -0.482 -0.835 0.000) 0.964 1.406 ( 1.091 1.890 -0.000) 2.182 1.518 ( -1.353 -2.344 0.000) 2.706 1.543 ( -1.040 -1.802 -0.000) 2.080 2.203 ( -0.993 -1.720 -0.000) 1.986 2.210 ( 0.593 1.026 0.000) 1.185 2.975 ( 0.577 0.999 -0.000) 1.154 3.162 ( -0.350 -0.606 0.000) 0.700 3.168 ( -0.356 -0.616 -0.000) 0.711 3.377 ( 2.474 4.285 -0.000) 4.948 3.637 ( -4.854 -8.408 0.000) 9.708 3.666 ( 1.753 3.036 -0.000) 3.506 4.017 ( 0.259 0.449 -0.000) 0.518 4.094 ( 2.276 3.941 -0.000) 4.551 4.262 ( -1.425 -2.468 -0.000) 2.850 4.467 ( -0.921 -1.596 -0.000) 1.843 5.459 ( 3.174 5.498 -0.000) 6.348 5.563 ( -2.190 -3.793 -0.000) 4.380 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -0.000 1.045 1.138) 1.545 0.887 ( 0.000 -0.265 0.808) 0.851 0.894 ( -0.000 2.593 0.771) 2.705 1.043 ( -0.000 5.349 1.317) 5.509 1.053 ( -0.000 6.387 1.234) 6.505 1.307 ( 0.000 -5.122 3.705) 6.321 1.314 ( 0.000 -6.941 -0.007) 6.941 1.445 ( 0.000 -5.018 -1.228) 5.166 1.623 ( 0.000 -1.405 0.352) 1.449 1.646 ( 0.000 -2.591 -1.061) 2.800 2.221 ( 0.000 0.300 1.957) 1.980 2.233 ( -0.000 0.126 -1.792) 1.797 2.830 ( -0.000 1.332 0.337) 1.374 3.119 ( 0.000 -0.294 1.728) 1.753 3.220 ( 0.000 -3.739 -0.251) 3.747 3.334 ( 0.000 -4.388 3.716) 5.750 3.666 ( -0.000 14.096 0.890) 14.124 3.821 ( 0.000 -5.622 -6.208) 8.375 3.942 ( -0.000 1.020 -1.380) 1.716 4.007 ( -0.000 3.369 -2.400) 4.137 4.319 ( 0.000 -7.160 1.036) 7.234 4.571 ( 0.000 -0.662 0.699) 0.963 5.279 ( -0.000 6.007 0.604) 6.037 5.664 ( 0.000 -4.074 1.315) 4.281 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 2.217 0.005 0.809) 2.360 0.881 ( 0.109 -1.098 -0.194) 1.121 0.910 ( -0.722 1.650 1.120) 2.121 1.079 ( -2.235 3.415 1.291) 4.280 1.118 ( -1.136 5.243 1.248) 5.508 1.245 ( 0.749 -5.213 0.482) 5.289 1.319 ( 3.513 -2.767 3.592) 5.736 1.400 ( -0.043 -2.685 -1.463) 3.058 1.601 ( -1.777 -1.134 0.248) 2.122 1.603 ( -1.764 -1.399 -1.588) 2.755 2.218 ( -0.639 0.258 -1.404) 1.564 2.231 ( -0.438 0.045 1.628) 1.687 2.881 ( 3.882 0.723 -0.519) 3.983 3.136 ( 1.056 0.573 2.881) 3.122 3.201 ( 0.440 -0.566 0.512) 0.881 3.298 ( -1.350 -3.959 3.009) 5.152 3.715 ( -1.192 -2.415 -10.580) 10.917 3.773 ( -3.227 6.212 4.676) 8.418 3.956 ( 2.106 0.190 -2.344) 3.156 4.035 ( 1.353 2.844 -1.374) 3.436 4.265 ( 0.189 -5.033 0.762) 5.094 4.550 ( -2.254 -0.558 0.698) 2.425 5.351 ( 2.248 4.435 0.698) 5.021 5.629 ( -1.148 -2.894 1.480) 3.447 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.000 0.531 1.058) 1.183 0.859 ( 0.000 -2.839 -0.465) 2.877 0.931 ( -0.000 0.365 0.544) 0.655 1.140 ( 0.000 -2.258 0.660) 2.353 1.190 ( -0.000 5.830 1.761) 6.090 1.210 ( -0.000 1.490 0.657) 1.628 1.246 ( 0.000 -6.126 4.443) 7.568 1.380 ( -0.000 -0.015 -1.294) 1.294 1.597 ( 0.000 -1.057 -2.053) 2.309 1.612 ( 0.000 -0.165 0.331) 0.370 2.212 ( -0.000 -0.332 -1.895) 1.924 2.251 ( -0.000 0.956 2.378) 2.563 2.865 ( -0.000 2.236 0.055) 2.237 3.129 ( 0.000 -0.402 0.156) 0.431 3.204 ( -0.000 1.796 1.230) 2.176 3.300 ( 0.000 -3.149 4.134) 5.197 3.630 ( 0.000 -8.374 -3.898) 9.237 3.889 ( -0.000 7.066 -1.331) 7.190 3.925 ( -0.000 0.257 -3.397) 3.406 4.026 ( -0.000 1.083 -2.524) 2.747 4.235 ( 0.000 -1.616 1.580) 2.260 4.569 ( 0.000 -0.289 0.820) 0.870 5.366 ( -0.000 1.744 1.044) 2.033 5.628 ( 0.000 -0.917 1.858) 2.072 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 -0.000 7.284) 7.284 0.457 ( 0.000 -0.000 7.284) 7.284 0.841 ( 0.000 -0.000 9.601) 9.601 1.010 ( 0.000 -0.000 0.199) 0.199 1.010 ( 0.000 -0.000 0.199) 0.199 1.536 ( 0.000 -0.000 0.068) 0.068 1.646 ( 0.000 -0.000 4.908) 4.908 1.803 ( 0.000 -0.000 1.693) 1.693 1.803 ( 0.000 -0.000 1.693) 1.693 2.036 ( 0.000 -0.000 0.499) 0.499 2.133 ( -0.000 0.000 -6.351) 6.351 2.133 ( -0.000 0.000 -6.351) 6.351 2.923 ( 0.000 -0.000 6.325) 6.325 2.923 ( 0.000 -0.000 6.325) 6.325 3.031 ( -0.000 0.000 -0.555) 0.555 3.492 ( -0.000 0.000 -2.035) 2.035 3.492 ( -0.000 0.000 -2.035) 2.035 3.794 ( -0.000 0.000 -0.340) 0.340 3.794 ( -0.000 0.000 -0.340) 0.340 4.141 ( -0.000 0.000 -3.800) 3.800 4.581 ( 0.000 -0.000 0.645) 0.645 4.581 ( 0.000 -0.000 0.645) 0.645 4.973 ( 0.000 -0.000 2.667) 2.667 5.943 ( -0.000 0.000 -0.721) 0.721 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 3.553 2.051 6.741) 7.892 0.554 ( 2.741 1.582 3.034) 4.384 0.869 ( -0.622 -0.359 5.754) 5.798 1.003 ( -0.688 -0.397 0.146) 0.808 1.005 ( -0.520 -0.300 -0.041) 0.602 1.525 ( -1.059 -0.611 0.067) 1.224 1.632 ( -2.991 -1.727 2.317) 4.159 1.751 ( -4.608 -2.660 1.562) 5.545 1.800 ( -2.017 -1.164 1.083) 2.568 1.913 ( -8.621 -4.978 4.553) 10.947 2.069 ( 0.012 0.007 -3.093) 3.093 2.205 ( 4.924 2.843 -6.387) 8.551 2.894 ( 1.077 0.622 5.580) 5.717 3.013 ( 1.042 0.601 1.999) 2.333 3.058 ( 0.666 0.385 3.311) 3.400 3.442 ( -0.956 -0.552 0.300) 1.144 3.510 ( -0.817 -0.472 -0.645) 1.143 3.802 ( 0.642 0.371 -0.687) 1.011 3.806 ( 1.487 0.859 -0.543) 1.801 4.104 ( -1.019 -0.588 -5.980) 6.095 4.587 ( 0.218 0.126 0.461) 0.525 4.615 ( 0.863 0.498 -0.270) 1.033 4.976 ( 0.321 0.185 2.581) 2.607 5.900 ( -3.000 -1.732 0.306) 3.478 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 1.414 0.816 -0.761) 1.801 0.644 ( 7.775 4.489 3.679) 9.703 0.878 ( 0.331 0.191 1.357) 1.410 0.987 ( -0.904 -0.522 -0.327) 1.093 0.988 ( -0.429 -0.248 -0.064) 0.500 1.490 ( -2.316 -1.337 0.104) 2.676 1.547 ( -4.542 -2.622 -0.652) 5.285 1.635 ( -6.181 -3.568 3.081) 7.773 1.737 ( -3.476 -2.007 0.051) 4.014 1.786 ( -5.619 -3.244 4.071) 7.660 2.098 ( 2.542 1.468 0.692) 3.015 2.256 ( 2.069 1.195 -4.776) 5.341 2.979 ( -3.170 -1.830 -2.821) 4.622 3.023 ( 8.212 4.741 3.921) 10.261 3.085 ( 0.096 0.055 5.542) 5.543 3.449 ( -4.419 -2.551 1.335) 5.274 3.455 ( 0.601 0.347 2.189) 2.296 3.823 ( 1.769 1.021 -0.147) 2.048 3.850 ( 2.281 1.317 0.023) 2.634 4.048 ( -1.152 -0.665 -8.136) 8.244 4.566 ( -5.252 -3.032 1.812) 6.329 4.592 ( 0.119 0.068 0.136) 0.193 5.043 ( 5.040 2.910 0.020) 5.819 5.833 ( -3.316 -1.914 0.360) 3.846 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.642 0.371 -2.020) 2.152 0.811 ( 5.616 3.243 1.847) 6.743 0.901 ( 1.113 0.643 -1.016) 1.638 0.984 ( 2.154 1.244 -1.333) 2.822 0.997 ( 1.658 0.957 -0.659) 2.025 1.422 ( -4.071 -2.351 0.139) 4.703 1.454 ( -3.462 -1.999 -1.880) 4.418 1.521 ( -5.545 -3.201 2.208) 6.773 1.669 ( -2.538 -1.465 -0.151) 2.934 1.690 ( -4.550 -2.627 2.481) 5.810 2.161 ( 2.226 1.285 2.338) 3.475 2.260 ( 0.275 0.159 -3.025) 3.041 2.890 ( -2.944 -1.700 -3.352) 4.774 3.108 ( 0.247 0.143 3.574) 3.585 3.233 ( 5.883 3.397 2.699) 7.310 3.379 ( 0.099 0.057 4.620) 4.621 3.450 ( -1.615 -0.932 -0.760) 2.014 3.885 ( 3.406 1.967 1.853) 4.348 3.889 ( 0.799 0.461 1.180) 1.498 3.978 ( -1.474 -0.851 -9.401) 9.554 4.438 ( -6.996 -4.039 3.004) 8.618 4.591 ( -0.222 -0.128 -0.290) 0.387 5.168 ( 6.247 3.607 -0.993) 7.281 5.760 ( -3.404 -1.965 -0.446) 3.956 ======================= Grid point 346 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.360 0.208 -1.379) 1.440 0.890 ( -0.121 -0.070 -0.304) 0.334 0.905 ( 1.772 1.023 0.002) 2.046 1.060 ( 4.504 2.600 -1.084) 5.313 1.078 ( 5.916 3.416 -2.178) 7.170 1.315 ( -5.752 -3.321 -0.094) 6.642 1.367 ( -3.698 -2.135 -4.361) 6.104 1.420 ( -4.280 -2.471 2.313) 5.457 1.623 ( -2.518 -1.454 2.107) 3.590 1.628 ( -1.202 -0.694 -0.284) 1.417 2.203 ( 0.566 0.327 2.299) 2.390 2.251 ( 0.181 0.105 -2.217) 2.227 2.843 ( -0.114 -0.066 -1.524) 1.530 3.125 ( 0.134 0.078 1.702) 1.709 3.221 ( -2.338 -1.350 -0.300) 2.716 3.386 ( -3.105 -1.793 -3.521) 5.025 3.568 ( 8.602 4.967 9.056) 13.442 3.862 ( -2.494 -1.440 -5.365) 6.089 3.928 ( -0.161 -0.093 -1.516) 1.527 3.969 ( 2.973 1.717 2.814) 4.439 4.311 ( -5.455 -3.150 2.119) 6.646 4.581 ( -0.450 -0.260 -0.689) 0.863 5.291 ( 5.217 3.012 -0.968) 6.101 5.684 ( -3.078 -1.777 -1.411) 3.825 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -1.685 6.781) 6.988 0.600 ( -0.000 5.630 2.395) 6.118 0.881 ( 0.000 -2.826 4.346) 5.184 1.000 ( 0.000 -1.117 0.227) 1.139 1.009 ( 0.000 -0.323 -0.190) 0.375 1.526 ( 0.000 -1.155 0.044) 1.156 1.638 ( 0.000 -4.616 1.216) 4.773 1.758 ( 0.000 -6.915 1.900) 7.172 1.780 ( 0.000 -2.819 1.280) 3.096 1.960 ( 0.000 -6.205 2.469) 6.679 2.095 ( -0.000 4.206 -2.413) 4.849 2.153 ( -0.000 4.140 -5.915) 7.220 2.887 ( 0.000 -4.688 6.100) 7.693 2.987 ( 0.000 0.813 3.797) 3.883 3.111 ( -0.000 2.456 2.182) 3.286 3.461 ( -0.000 0.889 0.758) 1.168 3.505 ( -0.000 0.089 -1.146) 1.150 3.803 ( -0.000 1.072 -0.615) 1.236 3.806 ( -0.000 2.001 -0.791) 2.152 4.074 ( -0.000 -1.348 -7.003) 7.131 4.586 ( 0.000 0.018 0.462) 0.462 4.616 ( -0.000 1.291 -0.187) 1.304 4.987 ( 0.000 -0.458 2.969) 3.004 5.900 ( 0.000 -3.404 0.080) 3.405 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 5.414 0.525 3.779) 6.623 0.659 ( 0.281 5.965 0.676) 6.009 0.867 ( 0.147 -2.769 1.864) 3.341 0.984 ( -0.533 -1.357 0.224) 1.475 0.999 ( -0.507 -0.456 -0.409) 0.795 1.503 ( -1.117 -1.797 0.043) 2.116 1.563 ( -2.468 -5.886 -0.365) 6.392 1.675 ( -3.106 -5.551 1.983) 6.663 1.760 ( -0.505 -3.354 1.028) 3.544 1.846 ( -6.157 -6.026 2.007) 8.846 2.116 ( -0.558 4.278 0.219) 4.320 2.207 ( 3.160 2.638 -4.516) 6.111 2.927 ( 6.024 -2.314 3.941) 7.562 3.020 ( -1.239 3.010 -0.548) 3.301 3.122 ( -0.754 1.370 5.222) 5.451 3.457 ( -1.380 -1.352 1.105) 2.225 3.491 ( -1.095 -1.095 0.831) 1.758 3.818 ( 0.620 2.175 0.005) 2.261 3.840 ( 1.518 3.244 -0.905) 3.694 4.019 ( -0.824 -1.460 -7.504) 7.689 4.587 ( -0.090 -0.454 0.295) 0.549 4.603 ( -1.804 -2.761 0.768) 3.386 5.019 ( 2.048 2.980 1.118) 3.785 5.851 ( -1.794 -3.562 0.297) 3.999 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.988 2.892 -1.011) 3.219 0.763 ( 5.143 4.908 1.402) 7.247 0.864 ( 1.738 -1.137 -0.792) 2.223 0.968 ( 0.023 -0.606 0.152) 0.625 0.989 ( 0.104 0.343 -0.643) 0.736 1.454 ( -2.622 -2.712 0.110) 3.774 1.470 ( -2.649 -3.929 -1.183) 4.884 1.574 ( -4.308 -4.796 1.400) 6.597 1.701 ( -3.749 -2.235 -0.320) 4.376 1.719 ( -2.678 -5.895 2.084) 6.802 2.159 ( 1.081 2.182 1.972) 3.134 2.238 ( 1.033 0.687 -2.851) 3.109 2.953 ( -4.958 2.881 -2.733) 6.352 3.061 ( 6.542 -1.686 0.325) 6.764 3.212 ( 3.607 6.027 6.850) 9.811 3.392 ( -2.602 -4.469 2.149) 5.600 3.462 ( -1.369 -2.005 -0.269) 2.443 3.871 ( 2.190 3.262 1.269) 4.129 3.892 ( 1.099 2.590 -0.025) 2.813 3.954 ( -1.180 -1.053 -6.974) 7.151 4.509 ( -5.146 -4.853 1.827) 7.305 4.581 ( 0.098 -1.283 -0.152) 1.295 5.117 ( 4.597 5.162 -0.411) 6.924 5.782 ( -2.589 -3.407 -0.122) 4.281 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -1.231 2.944 -1.162) 3.396 0.861 ( 2.762 0.875 0.116) 2.900 0.892 ( 1.427 0.205 -1.370) 1.989 1.008 ( 4.626 2.783 -0.595) 5.431 1.016 ( 2.605 1.779 -1.133) 3.352 1.362 ( -4.632 -4.140 -0.088) 6.213 1.391 ( -2.924 -1.576 -2.764) 4.321 1.472 ( -3.938 -3.521 1.490) 5.489 1.632 ( -1.519 -2.433 0.005) 2.868 1.646 ( -2.147 -3.481 1.221) 4.268 2.199 ( 1.209 0.049 2.065) 2.394 2.238 ( 0.178 -0.051 -1.827) 1.836 2.893 ( -4.387 4.002 -1.483) 6.120 3.121 ( 2.249 0.069 -1.051) 2.483 3.252 ( -3.239 -1.994 0.465) 3.832 3.382 ( -1.766 -3.233 -1.121) 3.851 3.496 ( 9.478 4.300 6.373) 12.204 3.858 ( -2.725 -2.883 -4.304) 5.854 3.935 ( 0.664 2.282 0.899) 2.541 3.964 ( 2.214 3.295 1.161) 4.136 4.381 ( -5.865 -4.167 1.351) 7.320 4.566 ( 0.238 -2.048 -0.518) 2.126 5.243 ( 4.832 5.256 -0.717) 7.175 5.704 ( -2.895 -3.176 -0.854) 4.382 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 1.139 4.946) 5.076 0.716 ( -0.000 6.444 -0.807) 6.495 0.851 ( 0.000 -2.347 2.466) 3.404 0.979 ( 0.000 -1.138 0.481) 1.235 0.993 ( 0.000 -0.934 -0.602) 1.111 1.492 ( 0.000 -2.539 -0.050) 2.539 1.519 ( 0.000 -7.039 0.494) 7.056 1.657 ( 0.000 -5.863 1.343) 6.015 1.726 ( 0.000 -3.684 0.650) 3.741 1.848 ( 0.000 -7.195 0.311) 7.202 2.171 ( -0.000 3.250 0.787) 3.344 2.177 ( -0.000 3.571 -4.440) 5.698 2.861 ( 0.000 -3.575 4.874) 6.045 3.074 ( -0.000 5.238 -0.944) 5.322 3.169 ( -0.000 3.201 4.498) 5.521 3.466 ( 0.000 -2.739 0.477) 2.780 3.476 ( 0.000 -2.627 0.626) 2.700 3.841 ( -0.000 3.316 0.455) 3.347 3.853 ( -0.000 4.137 -1.831) 4.524 3.976 ( -0.000 -2.121 -6.308) 6.655 4.586 ( 0.000 -4.764 0.583) 4.800 4.588 ( 0.000 -0.214 0.372) 0.429 5.039 ( -0.000 4.374 0.846) 4.455 5.829 ( 0.000 -4.291 0.432) 4.312 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 4.417 2.073 2.280) 5.386 0.777 ( 0.562 6.648 -0.558) 6.695 0.845 ( -0.350 -0.427 1.713) 1.800 0.968 ( -0.379 -0.185 0.285) 0.509 0.986 ( 0.242 -0.184 -0.276) 0.411 1.453 ( -0.949 -5.381 0.941) 5.544 1.455 ( -1.100 -3.541 -0.056) 3.709 1.584 ( -2.455 -5.583 0.014) 6.099 1.693 ( -0.344 -4.289 0.779) 4.373 1.739 ( -4.260 -5.304 -0.674) 6.836 2.180 ( -0.362 2.161 0.005) 2.191 2.219 ( 1.232 1.431 -1.141) 2.207 2.913 ( 6.926 -2.342 2.859) 7.850 3.070 ( -4.248 3.077 -0.885) 5.319 3.252 ( 2.061 6.840 1.534) 7.307 3.404 ( -2.768 -3.483 0.928) 4.545 3.454 ( -0.720 -3.335 0.759) 3.496 3.882 ( 0.989 3.656 0.162) 3.791 3.898 ( 0.883 2.868 -1.579) 3.391 3.928 ( 0.025 -1.314 -3.590) 3.823 4.519 ( -1.846 -6.565 0.492) 6.837 4.578 ( -0.965 -0.757 0.293) 1.261 5.113 ( 2.454 6.209 0.248) 6.681 5.779 ( -1.366 -4.285 0.361) 4.512 ======================= Grid point 366 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 1.006 1.743 -0.000) 2.013 0.848 ( 0.273 0.472 -0.000) 0.545 0.854 ( 2.341 4.055 -0.000) 4.682 0.987 ( 1.597 2.766 -0.000) 3.194 1.000 ( 0.895 1.551 -0.000) 1.790 1.383 ( -2.910 -5.039 -0.000) 5.819 1.401 ( -1.397 -2.420 -0.000) 2.795 1.490 ( -2.442 -4.229 -0.000) 4.883 1.634 ( -2.039 -3.532 -0.000) 4.079 1.647 ( -2.096 -3.631 -0.000) 4.193 2.192 ( 0.275 0.476 -0.000) 0.550 2.231 ( 0.041 0.071 -0.000) 0.082 3.003 ( -0.757 -1.311 -0.000) 1.514 3.044 ( 2.560 4.434 -0.000) 5.120 3.274 ( -2.333 -4.040 -0.000) 4.666 3.398 ( -1.955 -3.387 0.000) 3.911 3.429 ( 4.396 7.614 -0.000) 8.791 3.858 ( -1.980 -3.429 0.000) 3.960 3.945 ( 2.119 3.670 -0.000) 4.238 3.965 ( 1.525 2.641 -0.000) 3.050 4.417 ( -3.330 -5.768 -0.000) 6.660 4.548 ( -1.105 -1.914 -0.000) 2.211 5.227 ( 3.800 6.582 -0.000) 7.600 5.711 ( -2.301 -3.986 -0.000) 4.603 ======================= Grid point 376 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.000 1.537 2.728) 3.131 0.829 ( -0.000 5.438 -1.024) 5.534 0.873 ( -0.000 1.984 3.019) 3.612 0.977 ( -0.000 0.912 -0.222) 0.938 0.984 ( -0.000 1.493 1.047) 1.823 1.418 ( 0.000 -5.178 2.664) 5.823 1.424 ( 0.000 -4.728 -0.161) 4.731 1.546 ( 0.000 -6.086 -1.163) 6.197 1.666 ( 0.000 -2.937 0.338) 2.956 1.718 ( 0.000 -5.605 -1.284) 5.750 2.199 ( -0.000 2.343 -3.045) 3.842 2.222 ( 0.000 0.845 2.310) 2.459 2.844 ( 0.000 -2.137 3.141) 3.798 3.123 ( -0.000 0.913 0.466) 1.025 3.274 ( -0.000 1.080 -2.152) 2.408 3.428 ( 0.000 -3.704 2.247) 4.332 3.439 ( -0.000 5.524 -1.769) 5.801 3.889 ( 0.000 -2.596 -0.255) 2.608 3.908 ( -0.000 1.798 0.113) 1.801 3.917 ( -0.000 4.598 -2.524) 5.246 4.463 ( 0.000 -7.719 -0.528) 7.737 4.585 ( 0.000 -0.493 0.494) 0.698 5.157 ( -0.000 6.901 0.662) 6.933 5.751 ( 0.000 -4.448 0.751) 4.511 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 -0.000 3.781) 3.781 0.534 ( 0.000 -0.000 3.781) 3.781 0.932 ( 0.000 -0.000 3.856) 3.856 1.012 ( 0.000 -0.000 0.129) 0.129 1.012 ( 0.000 -0.000 0.129) 0.129 1.537 ( 0.000 -0.000 0.042) 0.042 1.693 ( 0.000 -0.000 1.845) 1.845 1.826 ( 0.000 -0.000 1.500) 1.500 1.826 ( 0.000 -0.000 1.500) 1.500 2.036 ( -0.000 0.000 -0.244) 0.244 2.058 ( -0.000 0.000 -4.142) 4.142 2.058 ( -0.000 0.000 -4.142) 4.142 2.996 ( 0.000 -0.000 3.891) 3.891 2.996 ( 0.000 -0.000 3.891) 3.891 3.070 ( 0.000 -0.000 4.702) 4.702 3.466 ( -0.000 0.000 -1.542) 1.542 3.466 ( -0.000 0.000 -1.542) 1.542 3.791 ( -0.000 0.000 -0.123) 0.123 3.791 ( -0.000 0.000 -0.123) 0.123 4.057 ( -0.000 0.000 -6.670) 6.670 4.588 ( 0.000 -0.000 0.336) 0.336 4.588 ( 0.000 -0.000 0.336) 0.336 5.020 ( 0.000 -0.000 3.215) 3.215 5.932 ( -0.000 0.000 -0.733) 0.733 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 3.008 1.737 4.496) 5.681 0.571 ( 0.780 0.450 -0.510) 1.036 0.918 ( -2.063 -1.191 1.596) 2.867 1.004 ( -0.759 -0.438 -0.013) 0.876 1.005 ( -0.654 -0.378 0.068) 0.758 1.526 ( -1.042 -0.602 0.040) 1.204 1.645 ( -4.453 -2.571 0.084) 5.143 1.770 ( -4.397 -2.539 0.996) 5.174 1.807 ( -2.726 -1.574 -0.157) 3.151 1.959 ( -6.043 -3.489 2.146) 7.300 2.050 ( 2.130 1.230 0.537) 2.518 2.130 ( 4.983 2.877 -4.294) 7.180 2.966 ( 0.316 0.182 4.353) 4.368 3.013 ( -1.902 -1.098 -1.938) 2.929 3.122 ( 1.394 0.805 4.577) 4.851 3.457 ( 0.844 0.488 1.680) 1.942 3.497 ( 0.716 0.413 -1.205) 1.461 3.796 ( 0.562 0.324 -0.175) 0.672 3.800 ( 1.276 0.736 -0.308) 1.505 4.011 ( -1.402 -0.809 -5.553) 5.784 4.591 ( 0.122 0.071 0.138) 0.198 4.613 ( 1.077 0.622 -0.014) 1.244 5.013 ( -0.844 -0.487 2.043) 2.263 5.900 ( -2.456 -1.418 -0.186) 2.843 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.679 0.392 -3.168) 3.264 0.689 ( 6.300 3.637 2.771) 7.785 0.879 ( -1.154 -0.666 -1.201) 1.794 0.985 ( -0.677 -0.391 -0.378) 0.869 0.987 ( -1.009 -0.583 0.242) 1.190 1.491 ( -2.266 -1.308 0.095) 2.618 1.531 ( -5.235 -3.023 -1.254) 6.174 1.661 ( -5.631 -3.251 0.779) 6.548 1.734 ( -3.447 -1.990 -0.431) 4.004 1.833 ( -6.313 -3.645 2.400) 7.675 2.124 ( 3.294 1.902 2.996) 4.842 2.200 ( 2.785 1.608 -3.213) 4.546 2.927 ( -3.680 -2.125 -4.442) 6.147 3.055 ( 5.358 3.093 1.585) 6.387 3.173 ( 2.274 1.313 4.342) 5.074 3.465 ( -3.198 -1.846 0.708) 3.760 3.476 ( -0.604 -0.348 0.740) 1.016 3.831 ( 2.702 1.560 1.209) 3.346 3.847 ( 2.901 1.675 -0.331) 3.366 3.953 ( -1.972 -1.139 -3.610) 4.269 4.584 ( -4.138 -2.389 0.718) 4.832 4.592 ( -0.056 -0.032 -0.157) 0.170 5.046 ( 3.770 2.177 0.010) 4.353 5.833 ( -3.479 -2.008 -0.191) 4.021 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 -0.817 3.899) 3.984 0.606 ( -0.000 4.255 -1.380) 4.473 0.919 ( 0.000 -3.249 1.282) 3.492 1.003 ( 0.000 -1.008 0.159) 1.020 1.007 ( 0.000 -0.652 -0.148) 0.668 1.526 ( 0.000 -1.178 0.003) 1.178 1.644 ( 0.000 -5.665 0.096) 5.666 1.775 ( 0.000 -5.609 0.375) 5.621 1.797 ( 0.000 -3.248 1.114) 3.433 1.975 ( 0.000 -5.706 -0.151) 5.708 2.082 ( -0.000 3.872 -3.926) 5.514 2.089 ( -0.000 5.372 1.398) 5.551 2.964 ( 0.000 -4.233 4.749) 6.362 3.007 ( -0.000 0.216 -1.176) 1.196 3.146 ( -0.000 2.074 1.543) 2.585 3.478 ( -0.000 1.718 1.452) 2.249 3.483 ( -0.000 1.294 -1.847) 2.255 3.798 ( -0.000 1.131 -0.352) 1.185 3.798 ( -0.000 1.139 -0.083) 1.142 3.991 ( 0.000 -1.701 -3.133) 3.565 4.591 ( 0.000 0.054 0.173) 0.181 4.614 ( -0.000 1.325 -0.077) 1.327 5.020 ( 0.000 -1.254 1.163) 1.710 5.899 ( 0.000 -2.817 -0.058) 2.818 ======================= Grid point 470 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.878 1.521 -0.000) 1.756 0.660 ( 2.774 4.805 -0.000) 5.549 0.880 ( -1.418 -2.456 -0.000) 2.836 0.986 ( -0.695 -1.204 -0.000) 1.391 0.996 ( -0.409 -0.709 -0.000) 0.818 1.504 ( -1.055 -1.828 -0.000) 2.111 1.560 ( -3.202 -5.545 -0.000) 6.403 1.688 ( -3.116 -5.396 -0.000) 6.231 1.768 ( -1.567 -2.715 0.000) 3.135 1.860 ( -4.329 -7.498 -0.000) 8.658 2.126 ( 1.784 3.091 -0.000) 3.569 2.167 ( 2.289 3.964 -0.000) 4.577 2.967 ( -0.401 -0.695 -0.000) 0.802 2.999 ( 0.779 1.348 0.000) 1.557 3.172 ( 1.223 2.119 -0.000) 2.446 3.466 ( -1.110 -1.923 0.000) 2.221 3.497 ( -0.374 -0.649 -0.000) 0.749 3.820 ( 1.362 2.359 -0.000) 2.724 3.831 ( 1.727 2.992 -0.000) 3.455 3.956 ( -1.090 -1.888 -0.000) 2.180 4.589 ( -0.184 -0.319 -0.000) 0.368 4.608 ( -1.341 -2.322 -0.000) 2.681 5.029 ( 1.317 2.280 -0.000) 2.633 5.852 ( -1.934 -3.350 -0.000) 3.869 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.000 -0.000 0.000) 0.000 0.561 ( 0.000 -0.000 0.000) 0.000 0.957 ( 0.000 -0.000 0.000) 0.000 1.013 ( 0.000 -0.000 0.000) 0.000 1.013 ( 0.000 -0.000 0.000) 0.000 1.537 ( 0.000 -0.000 0.000) 0.000 1.704 ( -0.000 0.000 -0.000) 0.000 1.838 ( 0.000 -0.000 0.000) 0.000 1.838 ( 0.000 -0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.034 ( 0.000 -0.000 0.000) 0.000 3.024 ( 0.000 0.000 -0.000) 0.000 3.024 ( -0.000 0.000 -0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.455 ( 0.000 -0.000 0.000) 0.000 3.455 ( 0.000 -0.000 0.000) 0.000 3.791 ( 0.000 -0.000 0.000) 0.000 3.791 ( 0.000 -0.000 0.000) 0.000 4.002 ( 0.000 -0.000 0.000) 0.000 4.590 ( 0.000 -0.000 0.000) 0.000 4.590 ( 0.000 -0.000 0.000) 0.000 5.045 ( 0.000 -0.000 0.000) 0.000 5.926 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24000 10.0 9.089 9.089 20.390 -0.000 -0.000 -0.000 3/24000 20.0 2.385 2.385 4.160 -0.000 -0.000 -0.000 3/24000 30.0 1.448 1.448 2.202 -0.000 -0.000 -0.000 3/24000 40.0 1.089 1.089 1.536 -0.000 -0.000 -0.000 3/24000 50.0 0.895 0.895 1.205 -0.000 -0.000 -0.000 3/24000 60.0 0.769 0.769 1.003 -0.000 -0.000 -0.000 3/24000 70.0 0.677 0.677 0.864 0.000 -0.000 -0.000 3/24000 80.0 0.606 0.606 0.761 0.000 -0.000 -0.000 3/24000 90.0 0.549 0.549 0.681 0.000 -0.000 -0.000 3/24000 100.0 0.502 0.502 0.617 0.000 -0.000 -0.000 3/24000 110.0 0.462 0.462 0.563 0.000 -0.000 -0.000 3/24000 120.0 0.428 0.428 0.519 0.000 -0.000 -0.000 3/24000 130.0 0.399 0.399 0.481 0.000 -0.000 -0.000 3/24000 140.0 0.373 0.373 0.448 0.000 -0.000 -0.000 3/24000 150.0 0.350 0.350 0.419 0.000 -0.000 -0.000 3/24000 160.0 0.330 0.330 0.394 0.000 -0.000 -0.000 3/24000 170.0 0.312 0.312 0.371 0.000 -0.000 -0.000 3/24000 180.0 0.296 0.296 0.351 0.000 -0.000 -0.000 3/24000 190.0 0.281 0.281 0.333 0.000 -0.000 -0.000 3/24000 200.0 0.268 0.268 0.317 0.000 -0.000 -0.000 3/24000 210.0 0.256 0.256 0.302 0.000 -0.000 -0.000 3/24000 220.0 0.245 0.245 0.289 0.000 -0.000 -0.000 3/24000 230.0 0.234 0.234 0.277 0.000 -0.000 -0.000 3/24000 240.0 0.225 0.225 0.265 0.000 -0.000 -0.000 3/24000 250.0 0.216 0.216 0.255 0.000 -0.000 -0.000 3/24000 260.0 0.208 0.208 0.245 0.000 -0.000 -0.000 3/24000 270.0 0.201 0.201 0.236 0.000 -0.000 -0.000 3/24000 280.0 0.194 0.194 0.228 0.000 -0.000 -0.000 3/24000 290.0 0.187 0.187 0.220 0.000 -0.000 -0.000 3/24000 300.0 0.181 0.181 0.213 0.000 -0.000 -0.000 3/24000 310.0 0.176 0.176 0.206 0.000 -0.000 -0.000 3/24000 320.0 0.170 0.170 0.200 0.000 -0.000 -0.000 3/24000 330.0 0.165 0.165 0.194 0.000 -0.000 -0.000 3/24000 340.0 0.160 0.160 0.188 0.000 -0.000 -0.000 3/24000 350.0 0.156 0.156 0.183 0.000 -0.000 -0.000 3/24000 360.0 0.152 0.152 0.178 0.000 -0.000 -0.000 3/24000 370.0 0.148 0.148 0.173 0.000 -0.000 -0.000 3/24000 380.0 0.144 0.144 0.169 0.000 -0.000 -0.000 3/24000 390.0 0.140 0.140 0.164 0.000 -0.000 -0.000 3/24000 400.0 0.137 0.137 0.160 0.000 -0.000 -0.000 3/24000 410.0 0.133 0.133 0.156 0.000 -0.000 -0.000 3/24000 420.0 0.130 0.130 0.153 0.000 -0.000 -0.000 3/24000 430.0 0.127 0.127 0.149 0.000 -0.000 -0.000 3/24000 440.0 0.125 0.125 0.146 0.000 -0.000 -0.000 3/24000 450.0 0.122 0.122 0.143 0.000 -0.000 -0.000 3/24000 460.0 0.119 0.119 0.140 0.000 -0.000 -0.000 3/24000 470.0 0.117 0.117 0.137 0.000 -0.000 -0.000 3/24000 480.0 0.114 0.114 0.134 0.000 -0.000 -0.000 3/24000 490.0 0.112 0.112 0.131 0.000 -0.000 -0.000 3/24000 500.0 0.110 0.110 0.128 0.000 -0.000 -0.000 3/24000 510.0 0.108 0.108 0.126 0.000 -0.000 -0.000 3/24000 520.0 0.106 0.106 0.124 0.000 -0.000 -0.000 3/24000 530.0 0.104 0.104 0.121 0.000 -0.000 -0.000 3/24000 540.0 0.102 0.102 0.119 0.000 -0.000 -0.000 3/24000 550.0 0.100 0.100 0.117 0.000 -0.000 -0.000 3/24000 560.0 0.098 0.098 0.115 0.000 -0.000 -0.000 3/24000 570.0 0.096 0.096 0.113 0.000 -0.000 -0.000 3/24000 580.0 0.095 0.095 0.111 0.000 -0.000 -0.000 3/24000 590.0 0.093 0.093 0.109 0.000 -0.000 -0.000 3/24000 600.0 0.092 0.092 0.107 0.000 -0.000 -0.000 3/24000 610.0 0.090 0.090 0.105 0.000 -0.000 -0.000 3/24000 620.0 0.089 0.089 0.104 0.000 -0.000 -0.000 3/24000 630.0 0.087 0.087 0.102 0.000 -0.000 -0.000 3/24000 640.0 0.086 0.086 0.100 0.000 -0.000 -0.000 3/24000 650.0 0.085 0.085 0.099 0.000 -0.000 -0.000 3/24000 660.0 0.083 0.083 0.097 0.000 -0.000 -0.000 3/24000 670.0 0.082 0.082 0.096 0.000 -0.000 -0.000 3/24000 680.0 0.081 0.081 0.095 0.000 -0.000 -0.000 3/24000 690.0 0.080 0.080 0.093 0.000 -0.000 -0.000 3/24000 700.0 0.079 0.079 0.092 0.000 -0.000 -0.000 3/24000 710.0 0.077 0.077 0.091 0.000 -0.000 -0.000 3/24000 720.0 0.076 0.076 0.089 0.000 -0.000 -0.000 3/24000 730.0 0.075 0.075 0.088 0.000 -0.000 -0.000 3/24000 740.0 0.074 0.074 0.087 0.000 -0.000 -0.000 3/24000 750.0 0.073 0.073 0.086 0.000 -0.000 -0.000 3/24000 760.0 0.072 0.072 0.085 0.000 -0.000 -0.000 3/24000 770.0 0.071 0.071 0.084 0.000 -0.000 -0.000 3/24000 780.0 0.071 0.071 0.083 0.000 -0.000 -0.000 3/24000 790.0 0.070 0.070 0.081 0.000 -0.000 -0.000 3/24000 800.0 0.069 0.069 0.080 0.000 -0.000 -0.000 3/24000 810.0 0.068 0.068 0.079 0.000 -0.000 -0.000 3/24000 820.0 0.067 0.067 0.079 0.000 -0.000 -0.000 3/24000 830.0 0.066 0.066 0.078 0.000 -0.000 -0.000 3/24000 840.0 0.066 0.066 0.077 0.000 -0.000 -0.000 3/24000 850.0 0.065 0.065 0.076 0.000 -0.000 -0.000 3/24000 860.0 0.064 0.064 0.075 0.000 -0.000 -0.000 3/24000 870.0 0.063 0.063 0.074 0.000 -0.000 -0.000 3/24000 880.0 0.063 0.063 0.073 0.000 -0.000 -0.000 3/24000 890.0 0.062 0.062 0.072 0.000 -0.000 -0.000 3/24000 900.0 0.061 0.061 0.072 0.000 -0.000 -0.000 3/24000 910.0 0.061 0.061 0.071 0.000 -0.000 -0.000 3/24000 920.0 0.060 0.060 0.070 0.000 -0.000 -0.000 3/24000 930.0 0.059 0.059 0.069 0.000 -0.000 -0.000 3/24000 940.0 0.059 0.059 0.069 0.000 -0.000 -0.000 3/24000 950.0 0.058 0.058 0.068 0.000 -0.000 -0.000 3/24000 960.0 0.057 0.057 0.067 0.000 -0.000 -0.000 3/24000 970.0 0.057 0.057 0.066 0.000 -0.000 -0.000 3/24000 980.0 0.056 0.056 0.066 0.000 -0.000 -0.000 3/24000 990.0 0.056 0.056 0.065 0.000 -0.000 -0.000 3/24000 1000.0 0.055 0.055 0.064 0.000 -0.000 -0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:17:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|