----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:25:19]------------------------- Compiled with OpenMP support (max 32 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 2.845416195967231 1.642801806698198 6.785337929999991 b -2.845416195967226 1.642801806698198 6.785337929999991 c 0.000000000000003 -3.285603613396402 6.785337929999991 Atomic positions (fractional): *1 K 0.08924046452239 0.08924046452239 0.08924046452239 39.098 2 K 0.91075953547761 0.91075953547761 0.91075953547761 39.098 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 *7 As 0.74780656459900 0.74780656459900 0.74780656459900 74.922 8 As 0.25219343540100 0.25219343540100 0.25219343540100 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.690832391934458 0.000000000000000 0.000000000000000 b -2.845416195967229 4.928405420094601 0.000000000000000 c 0.000000000000000 0.000000000000000 20.356013789999995 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.08924046452239 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.24409286881094 39.098 > 2 *3 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 4 K 0.66666666666667 0.33333333333333 0.42257379785573 39.098 > 1 5 K 0.33333333333333 0.66666666666667 0.57742620214427 39.098 > 2 6 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 7 K 0.33333333333333 0.66666666666667 0.75590713118906 39.098 > 1 8 K 0.00000000000000 0.00000000000000 0.91075953547761 39.098 > 2 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 4 11 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 5 12 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 6 13 Cu 0.16666666666667 0.33333333333333 0.33333333333333 63.546 > 4 14 Cu 0.66666666666667 0.83333333333333 0.33333333333333 63.546 > 5 15 Cu 0.16666666666667 0.83333333333333 0.33333333333333 63.546 > 6 16 Cu 0.83333333333333 0.66666666666667 0.66666666666667 63.546 > 4 17 Cu 0.33333333333333 0.16666666666667 0.66666666666667 63.546 > 5 18 Cu 0.83333333333333 0.16666666666667 0.66666666666667 63.546 > 6 *19 As 0.66666666666667 0.33333333333333 0.08113989793234 74.922 > 7 20 As 0.00000000000000 0.00000000000000 0.25219343540100 74.922 > 8 21 As 0.33333333333333 0.66666666666667 0.41447323126567 74.922 > 7 22 As 0.66666666666667 0.33333333333333 0.58552676873433 74.922 > 8 23 As 0.00000000000000 0.00000000000000 0.74780656459900 74.922 > 7 24 As 0.33333333333333 0.66666666666667 0.91886010206766 74.922 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.381664783868915 0.000000000000000 0.000000000000000 b -5.690832391934458 9.856810840189201 0.000000000000000 c 0.000000000000000 0.000000000000000 20.356013789999995 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.08924046452239 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.08924046452239 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.08924046452239 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.08924046452239 39.098 > 1 5 K 0.33333333333333 0.16666666666667 0.24409286881094 39.098 > 2 6 K 0.83333333333333 0.16666666666667 0.24409286881094 39.098 > 2 7 K 0.33333333333333 0.66666666666667 0.24409286881094 39.098 > 2 8 K 0.83333333333333 0.66666666666667 0.24409286881094 39.098 > 2 *9 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 3 10 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 3 11 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 3 12 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 3 13 K 0.33333333333333 0.16666666666667 0.42257379785573 39.098 > 1 14 K 0.83333333333333 0.16666666666667 0.42257379785573 39.098 > 1 15 K 0.33333333333333 0.66666666666667 0.42257379785573 39.098 > 1 16 K 0.83333333333333 0.66666666666667 0.42257379785573 39.098 > 1 17 K 0.16666666666667 0.33333333333333 0.57742620214427 39.098 > 2 18 K 0.66666666666667 0.33333333333333 0.57742620214427 39.098 > 2 19 K 0.16666666666667 0.83333333333333 0.57742620214427 39.098 > 2 20 K 0.66666666666667 0.83333333333333 0.57742620214427 39.098 > 2 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 3 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 3 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 3 25 K 0.16666666666667 0.33333333333333 0.75590713118906 39.098 > 1 26 K 0.66666666666667 0.33333333333333 0.75590713118906 39.098 > 1 27 K 0.16666666666667 0.83333333333333 0.75590713118906 39.098 > 1 28 K 0.66666666666667 0.83333333333333 0.75590713118906 39.098 > 1 29 K 0.00000000000000 0.00000000000000 0.91075953547761 39.098 > 2 30 K 0.50000000000000 0.00000000000000 0.91075953547761 39.098 > 2 31 K 0.00000000000000 0.50000000000000 0.91075953547761 39.098 > 2 32 K 0.50000000000000 0.50000000000000 0.91075953547761 39.098 > 2 33 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 3 34 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 3 35 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 3 36 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 3 *37 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 4 38 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 4 39 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 4 40 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 4 41 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 5 42 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 5 43 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 5 44 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 5 45 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 6 46 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 6 47 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 6 48 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 6 49 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 4 50 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 4 51 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 4 52 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 4 53 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 5 54 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 5 55 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 5 56 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 5 57 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 6 58 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 6 59 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 6 60 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 6 61 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 4 62 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 4 63 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 4 64 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 4 65 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 5 66 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 5 67 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 5 68 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 5 69 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 6 70 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 6 71 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 6 72 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 6 *73 As 0.33333333333333 0.16666666666667 0.08113989793234 74.922 > 7 74 As 0.83333333333333 0.16666666666667 0.08113989793234 74.922 > 7 75 As 0.33333333333333 0.66666666666667 0.08113989793234 74.922 > 7 76 As 0.83333333333333 0.66666666666667 0.08113989793234 74.922 > 7 77 As 0.00000000000000 0.00000000000000 0.25219343540100 74.922 > 8 78 As 0.50000000000000 0.00000000000000 0.25219343540100 74.922 > 8 79 As 0.00000000000000 0.50000000000000 0.25219343540100 74.922 > 8 80 As 0.50000000000000 0.50000000000000 0.25219343540100 74.922 > 8 81 As 0.16666666666667 0.33333333333333 0.41447323126567 74.922 > 7 82 As 0.66666666666667 0.33333333333333 0.41447323126567 74.922 > 7 83 As 0.16666666666667 0.83333333333333 0.41447323126567 74.922 > 7 84 As 0.66666666666667 0.83333333333333 0.41447323126567 74.922 > 7 85 As 0.33333333333333 0.16666666666667 0.58552676873433 74.922 > 8 86 As 0.83333333333333 0.16666666666667 0.58552676873433 74.922 > 8 87 As 0.33333333333333 0.66666666666667 0.58552676873433 74.922 > 8 88 As 0.83333333333333 0.66666666666667 0.58552676873433 74.922 > 8 89 As 0.00000000000000 0.00000000000000 0.74780656459900 74.922 > 7 90 As 0.50000000000000 0.00000000000000 0.74780656459900 74.922 > 7 91 As 0.00000000000000 0.50000000000000 0.74780656459900 74.922 > 7 92 As 0.50000000000000 0.50000000000000 0.74780656459900 74.922 > 7 93 As 0.16666666666667 0.33333333333333 0.91886010206766 74.922 > 8 94 As 0.66666666666667 0.33333333333333 0.91886010206766 74.922 > 8 95 As 0.16666666666667 0.83333333333333 0.91886010206766 74.922 > 8 96 As 0.66666666666667 0.83333333333333 0.91886010206766 74.922 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3358545 -0.0000000 0.0000000 0.0000000 10.3358545 0.0000000 0.0000000 0.0000000 6.3278667 -------------------------- Born effective charges -------------------------- 1 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 2 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 3 K 1.2434394 0.0000000 0.0000000 0.0000000 1.2434394 -0.0000000 -0.0000000 0.0000000 1.6599153 4 Cu -0.5550708 0.0000000 0.0000000 0.0000000 0.8599500 1.3948482 -0.0000000 0.4611773 0.0798490 5 Cu 0.5061948 0.6127220 -1.2079739 0.6127220 -0.2013156 -0.6974241 -0.3993913 -0.2305887 0.0798490 6 Cu 0.5061948 -0.6127220 1.2079739 -0.6127220 -0.2013156 -0.6974241 0.3993913 -0.2305887 0.0798490 7 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 8 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 ---------------------------------------------------------------------------- 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: 261 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): 0.006 Solver_block: 80 / 80 - Time: 0.154 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.162 --------------------------------- 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: 261 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:25:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:24]------------------------- Compiled with OpenMP support (max 32 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 2.845416195967231 1.642801806698198 6.785337929999991 b -2.845416195967226 1.642801806698198 6.785337929999991 c 0.000000000000003 -3.285603613396402 6.785337929999991 Atomic positions (fractional): 1 K 0.08924046452239 0.08924046452239 0.08924046452239 39.098 2 K 0.91075953547761 0.91075953547761 0.91075953547761 39.098 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 7 As 0.74780656459900 0.74780656459900 0.74780656459900 74.922 8 As 0.25219343540100 0.25219343540100 0.25219343540100 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.381664783868915 0.000000000000000 0.000000000000000 b -5.690832391934458 9.856810840189201 0.000000000000000 c 0.000000000000000 0.000000000000000 20.356013789999995 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.08924046452239 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.08924046452239 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.08924046452239 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.08924046452239 39.098 > 1 5 K 0.33333333333333 0.16666666666667 0.24409286881094 39.098 > 5 6 K 0.83333333333333 0.16666666666667 0.24409286881094 39.098 > 5 7 K 0.33333333333333 0.66666666666667 0.24409286881094 39.098 > 5 8 K 0.83333333333333 0.66666666666667 0.24409286881094 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 9 13 K 0.33333333333333 0.16666666666667 0.42257379785573 39.098 > 1 14 K 0.83333333333333 0.16666666666667 0.42257379785573 39.098 > 1 15 K 0.33333333333333 0.66666666666667 0.42257379785573 39.098 > 1 16 K 0.83333333333333 0.66666666666667 0.42257379785573 39.098 > 1 17 K 0.16666666666667 0.33333333333333 0.57742620214427 39.098 > 5 18 K 0.66666666666667 0.33333333333333 0.57742620214427 39.098 > 5 19 K 0.16666666666667 0.83333333333333 0.57742620214427 39.098 > 5 20 K 0.66666666666667 0.83333333333333 0.57742620214427 39.098 > 5 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 9 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 9 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 9 25 K 0.16666666666667 0.33333333333333 0.75590713118906 39.098 > 1 26 K 0.66666666666667 0.33333333333333 0.75590713118906 39.098 > 1 27 K 0.16666666666667 0.83333333333333 0.75590713118906 39.098 > 1 28 K 0.66666666666667 0.83333333333333 0.75590713118906 39.098 > 1 29 K 0.00000000000000 0.00000000000000 0.91075953547761 39.098 > 5 30 K 0.50000000000000 0.00000000000000 0.91075953547761 39.098 > 5 31 K 0.00000000000000 0.50000000000000 0.91075953547761 39.098 > 5 32 K 0.50000000000000 0.50000000000000 0.91075953547761 39.098 > 5 33 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 9 34 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 9 35 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 9 36 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 9 37 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 37 38 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 37 39 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 37 40 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 37 41 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 41 42 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 41 43 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 41 44 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 41 45 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 45 46 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 45 47 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 45 48 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 45 49 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 37 50 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 37 51 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 37 52 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 37 53 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 41 54 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 41 55 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 41 56 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 41 57 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 45 58 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 45 59 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 45 60 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 45 61 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 37 62 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 37 63 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 37 64 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 37 65 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 41 66 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 41 67 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 41 68 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 41 69 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 45 70 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 45 71 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 45 72 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 45 73 As 0.33333333333333 0.16666666666667 0.08113989793234 74.922 > 73 74 As 0.83333333333333 0.16666666666667 0.08113989793234 74.922 > 73 75 As 0.33333333333333 0.66666666666667 0.08113989793234 74.922 > 73 76 As 0.83333333333333 0.66666666666667 0.08113989793234 74.922 > 73 77 As 0.00000000000000 0.00000000000000 0.25219343540100 74.922 > 77 78 As 0.50000000000000 0.00000000000000 0.25219343540100 74.922 > 77 79 As 0.00000000000000 0.50000000000000 0.25219343540100 74.922 > 77 80 As 0.50000000000000 0.50000000000000 0.25219343540100 74.922 > 77 81 As 0.16666666666667 0.33333333333333 0.41447323126567 74.922 > 73 82 As 0.66666666666667 0.33333333333333 0.41447323126567 74.922 > 73 83 As 0.16666666666667 0.83333333333333 0.41447323126567 74.922 > 73 84 As 0.66666666666667 0.83333333333333 0.41447323126567 74.922 > 73 85 As 0.33333333333333 0.16666666666667 0.58552676873433 74.922 > 77 86 As 0.83333333333333 0.16666666666667 0.58552676873433 74.922 > 77 87 As 0.33333333333333 0.66666666666667 0.58552676873433 74.922 > 77 88 As 0.83333333333333 0.66666666666667 0.58552676873433 74.922 > 77 89 As 0.00000000000000 0.00000000000000 0.74780656459900 74.922 > 73 90 As 0.50000000000000 0.00000000000000 0.74780656459900 74.922 > 73 91 As 0.00000000000000 0.50000000000000 0.74780656459900 74.922 > 73 92 As 0.50000000000000 0.50000000000000 0.74780656459900 74.922 > 73 93 As 0.16666666666667 0.33333333333333 0.91886010206766 74.922 > 77 94 As 0.66666666666667 0.33333333333333 0.91886010206766 74.922 > 77 95 As 0.16666666666667 0.83333333333333 0.91886010206766 74.922 > 77 96 As 0.66666666666667 0.83333333333333 0.91886010206766 74.922 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3358545 -0.0000000 0.0000000 0.0000000 10.3358545 0.0000000 0.0000000 0.0000000 6.3278667 -------------------------- Born effective charges -------------------------- 1 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 2 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 3 K 1.2434394 0.0000000 0.0000000 0.0000000 1.2434394 -0.0000000 -0.0000000 0.0000000 1.6599153 4 Cu -0.5550708 0.0000000 0.0000000 0.0000000 0.8599500 1.3948482 -0.0000000 0.4611773 0.0798490 5 Cu 0.5061948 0.6127220 -1.2079739 0.6127220 -0.2013156 -0.6974241 -0.3993913 -0.2305887 0.0798490 6 Cu 0.5061948 -0.6127220 1.2079739 -0.6127220 -0.2013156 -0.6974241 0.3993913 -0.2305887 0.0798490 7 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 8 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 ---------------------------------------------------------------------------- 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[ 9, 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:25:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:32]------------------------- Compiled with OpenMP support (max 32 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 2.845416195967231 1.642801806698198 6.785337929999991 b -2.845416195967226 1.642801806698198 6.785337929999991 c 0.000000000000003 -3.285603613396402 6.785337929999991 Atomic positions (fractional): 1 K 0.08924046452239 0.08924046452239 0.08924046452239 39.098 2 K 0.91075953547761 0.91075953547761 0.91075953547761 39.098 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 5 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 6 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 7 As 0.74780656459900 0.74780656459900 0.74780656459900 74.922 8 As 0.25219343540100 0.25219343540100 0.25219343540100 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.381664783868915 0.000000000000000 0.000000000000000 b -5.690832391934458 9.856810840189201 0.000000000000000 c 0.000000000000000 0.000000000000000 20.356013789999995 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.08924046452239 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.08924046452239 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.08924046452239 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.08924046452239 39.098 > 1 5 K 0.33333333333333 0.16666666666667 0.24409286881094 39.098 > 5 6 K 0.83333333333333 0.16666666666667 0.24409286881094 39.098 > 5 7 K 0.33333333333333 0.66666666666667 0.24409286881094 39.098 > 5 8 K 0.83333333333333 0.66666666666667 0.24409286881094 39.098 > 5 9 K 0.16666666666667 0.33333333333333 0.16666666666667 39.098 > 9 10 K 0.66666666666667 0.33333333333333 0.16666666666667 39.098 > 9 11 K 0.16666666666667 0.83333333333333 0.16666666666667 39.098 > 9 12 K 0.66666666666667 0.83333333333333 0.16666666666667 39.098 > 9 13 K 0.33333333333333 0.16666666666667 0.42257379785573 39.098 > 1 14 K 0.83333333333333 0.16666666666667 0.42257379785573 39.098 > 1 15 K 0.33333333333333 0.66666666666667 0.42257379785573 39.098 > 1 16 K 0.83333333333333 0.66666666666667 0.42257379785573 39.098 > 1 17 K 0.16666666666667 0.33333333333333 0.57742620214427 39.098 > 5 18 K 0.66666666666667 0.33333333333333 0.57742620214427 39.098 > 5 19 K 0.16666666666667 0.83333333333333 0.57742620214427 39.098 > 5 20 K 0.66666666666667 0.83333333333333 0.57742620214427 39.098 > 5 21 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 22 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 9 23 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 9 24 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 9 25 K 0.16666666666667 0.33333333333333 0.75590713118906 39.098 > 1 26 K 0.66666666666667 0.33333333333333 0.75590713118906 39.098 > 1 27 K 0.16666666666667 0.83333333333333 0.75590713118906 39.098 > 1 28 K 0.66666666666667 0.83333333333333 0.75590713118906 39.098 > 1 29 K 0.00000000000000 0.00000000000000 0.91075953547761 39.098 > 5 30 K 0.50000000000000 0.00000000000000 0.91075953547761 39.098 > 5 31 K 0.00000000000000 0.50000000000000 0.91075953547761 39.098 > 5 32 K 0.50000000000000 0.50000000000000 0.91075953547761 39.098 > 5 33 K 0.33333333333333 0.16666666666667 0.83333333333333 39.098 > 9 34 K 0.83333333333333 0.16666666666667 0.83333333333333 39.098 > 9 35 K 0.33333333333333 0.66666666666667 0.83333333333333 39.098 > 9 36 K 0.83333333333333 0.66666666666667 0.83333333333333 39.098 > 9 37 Cu 0.25000000000000 0.00000000000000 0.00000000000000 63.546 > 37 38 Cu 0.75000000000000 0.00000000000000 0.00000000000000 63.546 > 37 39 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 37 40 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 37 41 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 41 42 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 41 43 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 41 44 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 41 45 Cu 0.25000000000000 0.25000000000000 0.00000000000000 63.546 > 45 46 Cu 0.75000000000000 0.25000000000000 0.00000000000000 63.546 > 45 47 Cu 0.25000000000000 0.75000000000000 0.00000000000000 63.546 > 45 48 Cu 0.75000000000000 0.75000000000000 0.00000000000000 63.546 > 45 49 Cu 0.08333333333333 0.16666666666667 0.33333333333333 63.546 > 37 50 Cu 0.58333333333333 0.16666666666667 0.33333333333333 63.546 > 37 51 Cu 0.08333333333333 0.66666666666667 0.33333333333333 63.546 > 37 52 Cu 0.58333333333333 0.66666666666667 0.33333333333333 63.546 > 37 53 Cu 0.33333333333333 0.41666666666667 0.33333333333333 63.546 > 41 54 Cu 0.83333333333333 0.41666666666667 0.33333333333333 63.546 > 41 55 Cu 0.33333333333333 0.91666666666667 0.33333333333333 63.546 > 41 56 Cu 0.83333333333333 0.91666666666667 0.33333333333333 63.546 > 41 57 Cu 0.08333333333333 0.41666666666667 0.33333333333333 63.546 > 45 58 Cu 0.58333333333333 0.41666666666667 0.33333333333333 63.546 > 45 59 Cu 0.08333333333333 0.91666666666667 0.33333333333333 63.546 > 45 60 Cu 0.58333333333333 0.91666666666667 0.33333333333333 63.546 > 45 61 Cu 0.41666666666667 0.33333333333333 0.66666666666667 63.546 > 37 62 Cu 0.91666666666667 0.33333333333333 0.66666666666667 63.546 > 37 63 Cu 0.41666666666667 0.83333333333333 0.66666666666667 63.546 > 37 64 Cu 0.91666666666667 0.83333333333333 0.66666666666667 63.546 > 37 65 Cu 0.16666666666667 0.08333333333333 0.66666666666667 63.546 > 41 66 Cu 0.66666666666667 0.08333333333333 0.66666666666667 63.546 > 41 67 Cu 0.16666666666667 0.58333333333333 0.66666666666667 63.546 > 41 68 Cu 0.66666666666667 0.58333333333333 0.66666666666667 63.546 > 41 69 Cu 0.41666666666667 0.08333333333333 0.66666666666667 63.546 > 45 70 Cu 0.91666666666667 0.08333333333333 0.66666666666667 63.546 > 45 71 Cu 0.41666666666667 0.58333333333333 0.66666666666667 63.546 > 45 72 Cu 0.91666666666667 0.58333333333333 0.66666666666667 63.546 > 45 73 As 0.33333333333333 0.16666666666667 0.08113989793234 74.922 > 73 74 As 0.83333333333333 0.16666666666667 0.08113989793234 74.922 > 73 75 As 0.33333333333333 0.66666666666667 0.08113989793234 74.922 > 73 76 As 0.83333333333333 0.66666666666667 0.08113989793234 74.922 > 73 77 As 0.00000000000000 0.00000000000000 0.25219343540100 74.922 > 77 78 As 0.50000000000000 0.00000000000000 0.25219343540100 74.922 > 77 79 As 0.00000000000000 0.50000000000000 0.25219343540100 74.922 > 77 80 As 0.50000000000000 0.50000000000000 0.25219343540100 74.922 > 77 81 As 0.16666666666667 0.33333333333333 0.41447323126567 74.922 > 73 82 As 0.66666666666667 0.33333333333333 0.41447323126567 74.922 > 73 83 As 0.16666666666667 0.83333333333333 0.41447323126567 74.922 > 73 84 As 0.66666666666667 0.83333333333333 0.41447323126567 74.922 > 73 85 As 0.33333333333333 0.16666666666667 0.58552676873433 74.922 > 77 86 As 0.83333333333333 0.16666666666667 0.58552676873433 74.922 > 77 87 As 0.33333333333333 0.66666666666667 0.58552676873433 74.922 > 77 88 As 0.83333333333333 0.66666666666667 0.58552676873433 74.922 > 77 89 As 0.00000000000000 0.00000000000000 0.74780656459900 74.922 > 73 90 As 0.50000000000000 0.00000000000000 0.74780656459900 74.922 > 73 91 As 0.00000000000000 0.50000000000000 0.74780656459900 74.922 > 73 92 As 0.50000000000000 0.50000000000000 0.74780656459900 74.922 > 73 93 As 0.16666666666667 0.33333333333333 0.91886010206766 74.922 > 77 94 As 0.66666666666667 0.33333333333333 0.91886010206766 74.922 > 77 95 As 0.16666666666667 0.83333333333333 0.91886010206766 74.922 > 77 96 As 0.66666666666667 0.83333333333333 0.91886010206766 74.922 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3358545 -0.0000000 0.0000000 0.0000000 10.3358545 0.0000000 0.0000000 0.0000000 6.3278667 -------------------------- Born effective charges -------------------------- 1 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 2 K 1.0475217 0.0000000 0.0000000 0.0000000 1.0475217 -0.0000000 -0.0000000 0.0000000 1.1175382 3 K 1.2434394 0.0000000 0.0000000 0.0000000 1.2434394 -0.0000000 -0.0000000 0.0000000 1.6599153 4 Cu -0.5550708 0.0000000 0.0000000 0.0000000 0.8599500 1.3948482 -0.0000000 0.4611773 0.0798490 5 Cu 0.5061948 0.6127220 -1.2079739 0.6127220 -0.2013156 -0.6974241 -0.3993913 -0.2305887 0.0798490 6 Cu 0.5061948 -0.6127220 1.2079739 -0.6127220 -0.2013156 -0.6974241 0.3993913 -0.2305887 0.0798490 7 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 8 As -1.8979008 0.0000000 0.0000000 0.0000000 -1.8979008 -0.0000000 -0.0000000 0.0000000 -2.0672694 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.72, Number of G-points: 291, Lambda: 0.23 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 2.11e-04 2.11e-04 2.11e-04 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 2.004 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 8.882 ( 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 2.11e-04 2.11e-04 2.11e-04 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| 0.452 ( 15.974 9.223 14.759) 23.623 0.463 ( 15.951 9.209 15.164) 23.858 0.642 ( 27.664 15.972 -5.539) 32.420 1.970 ( -4.030 -2.327 2.543) 5.303 2.311 ( -2.448 -1.413 -0.612) 2.892 2.324 ( -1.205 -0.695 -0.272) 1.417 2.407 ( -2.477 -1.430 1.295) 3.140 2.557 ( -4.648 -2.683 -5.270) 7.521 2.818 ( -4.855 -2.803 0.871) 5.673 3.057 ( -4.428 -2.557 -0.060) 5.114 3.091 ( -1.791 -1.034 0.741) 2.197 3.314 ( -3.298 -1.904 5.355) 6.571 3.368 ( -1.553 -0.897 0.044) 1.794 3.634 ( 8.192 4.730 4.273) 10.380 3.701 ( 13.134 7.583 -2.730) 15.410 4.098 ( 2.048 1.183 1.595) 2.853 4.420 ( -3.334 -1.925 -1.726) 4.219 4.489 ( -5.032 -2.905 1.015) 5.899 5.107 ( 0.177 0.102 -0.860) 0.885 5.118 ( 1.029 0.594 -0.241) 1.213 6.226 ( -2.841 -1.640 0.157) 3.284 7.537 ( 0.005 0.003 0.008) 0.010 7.799 ( 3.142 1.814 -3.532) 5.063 8.871 ( -2.031 -1.173 2.723) 3.593 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.876 ( 13.029 7.522 11.576) 18.983 0.889 ( 15.494 8.945 12.839) 22.021 1.217 ( 22.627 13.064 -3.623) 26.377 1.870 ( -4.090 -2.361 0.083) 4.723 2.201 ( -5.714 -3.299 -2.010) 6.897 2.300 ( -0.495 -0.286 -0.493) 0.755 2.345 ( -2.967 -1.713 0.056) 3.427 2.452 ( -1.717 -0.991 -3.952) 4.421 2.698 ( -5.542 -3.199 0.360) 6.409 2.942 ( -5.139 -2.967 1.054) 6.026 3.051 ( -2.183 -1.260 0.619) 2.596 3.266 ( -2.230 -1.287 0.849) 2.711 3.322 ( -2.307 -1.332 0.059) 2.664 3.852 ( 7.600 4.388 3.102) 9.308 3.990 ( 11.216 6.475 -5.537) 14.085 4.170 ( 3.004 1.734 5.055) 6.130 4.319 ( -3.883 -2.242 -0.655) 4.531 4.358 ( -5.512 -3.183 0.822) 6.418 5.102 ( -0.100 -0.058 -0.754) 0.763 5.143 ( 1.256 0.725 -1.030) 1.779 6.130 ( -5.429 -3.135 0.143) 6.271 7.537 ( -0.024 -0.014 0.022) 0.036 7.878 ( 4.631 2.674 -1.919) 5.681 8.821 ( -3.081 -1.779 1.646) 3.920 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.145 ( 5.704 3.293 4.093) 7.755 1.302 ( 14.879 8.590 10.139) 19.949 1.624 ( 11.455 6.613 0.601) 13.240 1.832 ( 2.494 1.440 -2.837) 4.042 2.109 ( -0.485 -0.280 2.682) 2.739 2.255 ( -4.133 -2.386 1.240) 4.931 2.310 ( 0.948 0.547 -2.183) 2.442 2.419 ( 0.025 0.014 -3.106) 3.106 2.560 ( -5.879 -3.394 -2.045) 7.090 2.839 ( -3.980 -2.298 1.451) 4.819 2.976 ( -4.551 -2.627 -0.742) 5.307 3.222 ( -1.510 -0.872 -0.013) 1.743 3.272 ( -1.720 -0.993 0.283) 2.006 3.956 ( 0.513 0.296 -2.943) 3.002 4.063 ( -1.826 -1.054 -2.203) 3.050 4.292 ( 1.423 0.821 4.856) 5.126 4.295 ( 1.048 0.605 -2.384) 2.673 4.316 ( 4.754 2.745 5.225) 7.578 5.118 ( 2.514 1.452 -0.386) 2.929 5.163 ( 0.984 0.568 -1.719) 2.061 5.977 ( -7.563 -4.367 -0.060) 8.734 7.536 ( -0.066 -0.038 0.032) 0.083 7.989 ( 5.272 3.044 -1.361) 6.238 8.746 ( -3.774 -2.179 1.243) 4.532 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.191 ( -0.806 -0.465 -1.474) 1.743 1.677 ( 13.072 7.547 6.615) 16.481 1.781 ( 4.530 2.616 0.580) 5.263 1.924 ( 3.124 1.803 -0.571) 3.652 2.157 ( -4.102 -2.368 0.439) 4.756 2.215 ( 5.516 3.185 8.149) 10.343 2.321 ( 0.324 0.187 -2.394) 2.423 2.400 ( -6.853 -3.956 -1.958) 8.151 2.418 ( 1.575 0.909 -3.804) 4.216 2.782 ( -1.044 -0.603 0.042) 1.206 2.828 ( -7.101 -4.100 -2.255) 8.504 3.198 ( -0.638 -0.369 0.261) 0.782 3.248 ( -0.600 -0.346 0.355) 0.778 3.907 ( -1.909 -1.102 -3.052) 3.764 4.010 ( -0.961 -0.555 -1.231) 1.658 4.320 ( 2.217 1.280 -4.586) 5.253 4.379 ( 2.655 1.533 4.235) 5.228 4.381 ( -1.651 -0.953 6.230) 6.515 5.173 ( 0.528 0.305 -1.426) 1.551 5.237 ( 7.287 4.207 -0.172) 8.416 5.783 ( -8.513 -4.915 -0.241) 9.833 7.534 ( -0.062 -0.036 0.025) 0.076 8.098 ( 4.089 2.361 -0.850) 4.798 8.666 ( -3.169 -1.830 0.799) 3.746 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.167 ( 0.000 0.000 0.000) 0.000 1.859 ( -0.000 -0.000 0.000) 0.000 1.913 ( 0.000 0.000 -0.000) 0.000 1.921 ( -0.000 -0.000 0.000) 0.000 2.106 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.460 ( -0.000 -0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 -0.000) 0.000 4.350 ( -0.000 -0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 8.149 ( -0.000 -0.000 0.000) 0.000 8.626 ( 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 2.11e-04 2.11e-04 2.11e-04 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| 0.287 ( 0.000 17.136 -6.300) 18.257 0.383 ( -0.000 13.026 11.461) 17.350 0.852 ( -0.000 29.717 18.284) 34.891 2.011 ( -0.000 -5.417 6.092) 8.152 2.319 ( -0.000 -2.094 0.437) 2.139 2.323 ( 0.000 -1.139 -0.309) 1.180 2.430 ( -0.000 -3.902 3.893) 5.512 2.616 ( -0.000 -3.331 2.458) 4.140 2.701 ( 0.000 -5.887 -11.907) 13.283 3.059 ( 0.000 -5.426 0.169) 5.429 3.080 ( 0.000 -2.778 -0.572) 2.836 3.322 ( -0.000 -5.608 4.691) 7.312 3.368 ( 0.000 -1.794 -0.049) 1.795 3.580 ( 0.000 7.688 -2.796) 8.181 3.779 ( -0.000 13.332 5.820) 14.547 4.105 ( -0.000 1.809 2.801) 3.335 4.444 ( -0.000 -2.887 1.471) 3.241 4.458 ( 0.000 -5.713 -2.850) 6.384 5.119 ( -0.000 1.395 -0.135) 1.401 5.126 ( -0.000 0.794 1.290) 1.515 6.228 ( 0.000 -3.293 0.389) 3.316 7.537 ( -0.000 0.011 0.081) 0.081 7.772 ( 0.000 5.340 -6.103) 8.109 8.885 ( -0.000 -3.809 3.968) 5.500 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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 ( 16.501 1.538 14.412) 21.963 0.782 ( 19.070 15.266 -4.024) 24.756 1.233 ( 3.389 22.981 11.548) 25.942 1.917 ( -5.197 -5.225 3.305) 8.077 2.288 ( -1.282 -1.638 -0.533) 2.147 2.302 ( -1.702 0.930 0.339) 1.969 2.376 ( -2.573 -2.851 1.369) 4.077 2.488 ( -6.232 0.315 -6.725) 9.174 2.669 ( 2.367 -7.947 0.506) 8.307 2.953 ( -3.278 -7.239 0.266) 7.951 3.061 ( 0.027 -2.014 -0.162) 2.021 3.288 ( -1.141 -2.075 1.784) 2.965 3.335 ( -1.291 -2.357 0.073) 2.689 3.741 ( 8.957 6.070 -2.035) 11.010 3.948 ( 3.005 10.728 -1.800) 11.285 4.161 ( 2.383 2.391 4.037) 5.262 4.354 ( -2.985 -2.775 -0.393) 4.094 4.400 ( -2.883 -5.300 1.616) 6.246 5.113 ( -0.988 1.204 0.797) 1.749 5.145 ( -0.148 1.391 -0.590) 1.518 6.164 ( -2.796 -4.751 0.440) 5.530 7.536 ( -0.116 -0.157 0.062) 0.205 7.833 ( 3.178 4.880 -3.579) 6.836 8.846 ( -1.660 -3.625 2.201) 4.554 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.961 ( 16.600 -1.566 13.013) 21.150 1.214 ( 14.555 11.998 -1.605) 18.931 1.513 ( 6.157 9.304 0.455) 11.166 1.817 ( -2.707 -1.372 1.408) 3.346 2.252 ( -3.143 3.989 -0.459) 5.099 2.293 ( -1.245 1.190 0.144) 1.729 2.307 ( -3.737 0.940 1.085) 4.003 2.390 ( -0.570 -2.188 -4.042) 4.631 2.602 ( -3.139 -3.822 -0.443) 4.966 2.828 ( -1.753 -8.665 1.459) 8.960 3.025 ( -2.480 -1.330 -0.144) 2.818 3.251 ( -2.361 -1.085 1.058) 2.806 3.290 ( -1.305 -1.271 0.968) 2.063 3.920 ( 4.679 2.675 -1.386) 5.565 4.020 ( 2.515 -0.147 -5.316) 5.882 4.276 ( -1.695 -3.168 1.303) 3.822 4.304 ( 3.439 5.050 4.401) 7.529 4.325 ( -0.824 0.666 1.419) 1.771 5.123 ( -0.631 2.311 0.234) 2.407 5.149 ( 0.532 0.978 -0.723) 1.328 6.041 ( -5.289 -5.742 0.260) 7.811 7.531 ( 0.005 -0.561 0.041) 0.563 7.938 ( 4.355 5.199 -2.317) 7.167 8.778 ( -2.617 -3.964 1.334) 4.934 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.208 ( 4.406 3.010 3.283) 6.265 1.515 ( 11.285 4.775 3.644) 12.784 1.684 ( 9.404 -1.030 -1.425) 9.567 1.821 ( 3.096 2.207 -1.647) 4.144 2.179 ( -3.510 -4.935 -1.137) 6.162 2.297 ( 0.884 -0.665 -0.236) 1.131 2.310 ( -2.145 3.124 -2.092) 4.328 2.393 ( -0.058 5.942 2.394) 6.406 2.495 ( -4.697 -0.320 -0.603) 4.746 2.744 ( 0.495 -6.079 0.560) 6.125 2.931 ( -6.804 -0.992 -0.958) 6.942 3.204 ( -1.013 -2.494 1.327) 3.001 3.277 ( -1.627 1.600 2.095) 3.097 3.927 ( -1.530 1.281 -2.767) 3.411 4.018 ( -1.365 -1.076 -1.464) 2.273 4.257 ( 3.762 -1.334 -1.701) 4.338 4.348 ( 1.594 -0.680 2.159) 2.768 4.430 ( 0.965 3.084 4.026) 5.162 5.122 ( 1.078 -1.593 -1.226) 2.281 5.218 ( 2.949 6.336 0.585) 7.013 5.870 ( -7.209 -5.839 -0.013) 9.277 7.526 ( 0.240 -0.954 0.015) 0.984 8.060 ( 4.152 5.267 -1.525) 6.878 8.692 ( -2.810 -4.206 0.730) 5.111 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.251 ( -3.977 7.892 -0.978) 8.891 1.733 ( 10.280 -8.523 1.132) 13.401 1.816 ( 6.960 1.936 -2.495) 7.643 1.904 ( 2.656 0.531 -0.944) 2.868 2.081 ( -0.276 -2.823 0.546) 2.889 2.208 ( -3.115 -7.321 -0.785) 7.995 2.318 ( 0.945 0.993 -1.051) 1.727 2.376 ( -3.639 -0.046 1.048) 3.788 2.574 ( 1.835 12.383 2.635) 12.793 2.715 ( -1.277 -1.780 -2.551) 3.362 2.778 ( -5.592 -1.966 0.024) 5.928 3.182 ( 0.436 -2.736 1.840) 3.326 3.273 ( -2.069 2.074 1.604) 3.340 3.908 ( -2.098 3.230 -0.730) 3.920 3.994 ( 0.504 0.009 -0.323) 0.599 4.304 ( 2.468 2.264 -5.403) 6.357 4.368 ( 2.478 -4.465 0.507) 5.132 4.438 ( -3.939 0.454 5.690) 6.936 5.126 ( 2.673 -3.450 -0.371) 4.380 5.362 ( 3.919 6.457 0.330) 7.561 5.690 ( -6.323 -3.690 -0.001) 7.321 7.521 ( 0.520 -1.132 -0.020) 1.246 8.157 ( 1.412 4.165 -0.655) 4.446 8.616 ( -0.912 -3.505 0.014) 3.622 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.251 ( -3.878 4.984 -1.142) 6.417 1.652 ( -1.797 -12.884 -7.643) 15.088 1.854 ( -5.891 -3.419 1.531) 6.982 1.906 ( 0.882 -0.637 -0.782) 1.340 2.077 ( 3.182 -0.766 -0.594) 3.326 2.245 ( 8.293 -1.906 3.927) 9.372 2.334 ( -0.521 1.540 -0.180) 1.636 2.345 ( -0.886 3.749 -2.003) 4.342 2.543 ( -9.461 2.682 -1.277) 9.916 2.743 ( 0.688 -2.607 1.226) 2.962 2.790 ( 5.876 6.490 1.521) 8.886 3.180 ( 1.287 -2.127 1.713) 3.019 3.263 ( -1.613 1.662 0.176) 2.323 3.925 ( -0.126 3.502 1.484) 3.805 4.005 ( 0.414 -0.267 1.024) 1.136 4.329 ( 1.220 -4.568 -4.319) 6.404 4.350 ( 0.219 2.627 -4.673) 5.365 4.393 ( -3.205 -0.138 4.960) 5.907 5.138 ( 2.408 -3.731 1.096) 4.574 5.359 ( -7.571 -0.513 0.027) 7.589 5.693 ( 6.366 3.755 0.406) 7.402 7.521 ( 0.717 -1.016 -0.045) 1.244 8.164 ( -3.697 1.241 0.278) 3.910 8.610 ( 3.170 -1.065 -0.755) 3.428 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.118 ( -6.304 -11.532 -8.049) 15.411 1.451 ( -9.648 -0.263 -4.261) 10.550 1.717 ( -5.505 -3.920 1.858) 7.009 1.848 ( -3.128 -3.749 1.986) 5.271 2.176 ( 5.276 2.773 -1.457) 6.135 2.273 ( -7.180 9.464 -4.293) 12.632 2.315 ( 0.278 -1.622 0.652) 1.770 2.423 ( 1.062 -0.822 4.968) 5.146 2.505 ( 3.869 2.169 0.679) 4.487 2.736 ( 3.705 -4.619 -0.286) 5.928 2.944 ( 3.969 4.468 0.870) 6.040 3.205 ( 2.155 -0.384 1.391) 2.594 3.257 ( -0.149 0.834 -0.686) 1.090 3.969 ( 0.746 0.968 2.705) 2.968 4.037 ( 1.965 0.969 0.887) 2.364 4.244 ( -0.216 -5.298 -3.443) 6.322 4.338 ( -2.172 1.130 -1.403) 2.822 4.371 ( -3.339 0.942 -1.093) 3.637 5.143 ( 0.651 -2.013 1.427) 2.553 5.217 ( -6.456 -0.160 0.475) 6.475 5.873 ( 8.427 3.283 0.260) 9.048 7.525 ( 0.705 -0.679 -0.044) 0.980 8.076 ( -6.163 -0.671 0.628) 6.231 8.679 ( 4.775 0.476 -0.932) 4.888 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.780 ( -9.796 -14.642 -9.885) 20.200 1.203 ( -17.379 1.161 -3.717) 17.810 1.526 ( -15.881 -3.150 2.365) 16.362 1.811 ( 1.990 -1.163 0.859) 2.460 2.247 ( -2.286 7.905 -0.634) 8.254 2.285 ( 3.357 1.878 -1.047) 3.986 2.314 ( 0.189 -0.756 1.833) 1.992 2.459 ( 1.975 1.826 4.962) 5.645 2.589 ( 4.649 -2.402 -2.454) 5.780 2.810 ( 8.655 -2.053 -0.857) 8.937 3.026 ( 2.082 1.408 -0.051) 2.514 3.248 ( 1.046 1.043 0.566) 1.582 3.280 ( 2.931 -0.051 -0.428) 2.963 3.926 ( -6.299 -2.529 -0.743) 6.828 4.089 ( 2.889 -0.266 2.532) 3.851 4.232 ( -10.392 -0.856 -3.521) 11.005 4.261 ( 4.929 0.761 -0.468) 5.009 4.319 ( -0.037 0.395 0.461) 0.608 5.124 ( -2.228 0.798 0.577) 2.436 5.161 ( -0.409 -0.766 0.761) 1.155 6.040 ( 7.390 1.622 0.053) 7.566 7.531 ( 0.479 -0.282 -0.019) 0.556 7.961 ( -6.041 -0.833 0.585) 6.126 8.762 ( 4.267 0.536 -0.710) 4.359 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.456 ( -12.575 0.000 0.000) 12.575 0.847 ( -22.069 0.000 0.000) 22.069 1.121 ( -27.473 0.000 0.000) 27.473 1.888 ( 5.868 -0.000 -0.000) 5.868 2.293 ( 1.900 -0.000 -0.000) 1.900 2.299 ( 0.543 -0.000 -0.000) 0.543 2.365 ( 3.066 -0.000 -0.000) 3.066 2.555 ( 1.739 -0.000 -0.000) 1.739 2.652 ( 9.083 -0.000 -0.000) 9.083 2.953 ( 7.949 -0.000 -0.000) 7.949 3.062 ( 1.643 -0.000 -0.000) 1.643 3.272 ( 1.309 -0.000 -0.000) 1.309 3.334 ( 2.761 -0.000 -0.000) 2.761 3.760 ( -9.413 0.000 0.000) 9.413 3.963 ( -16.329 0.000 0.000) 16.329 4.122 ( -1.078 0.000 0.000) 1.078 4.362 ( 5.182 -0.000 -0.000) 5.182 4.383 ( 6.346 -0.000 -0.000) 6.346 5.106 ( -0.423 0.000 0.000) 0.423 5.150 ( -1.244 0.000 0.000) 1.244 6.161 ( 5.403 -0.000 -0.000) 5.403 7.535 ( 0.180 -0.000 -0.000) 0.180 7.863 ( -4.575 0.000 0.000) 4.575 8.827 ( 3.025 -0.000 -0.000) 3.025 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.569 ( 0.000 16.544 -6.028) 17.609 0.749 ( -0.000 12.545 9.926) 15.998 1.464 ( -0.000 15.362 7.120) 16.932 1.943 ( -0.000 -3.975 3.393) 5.226 2.256 ( -0.000 -5.121 1.494) 5.335 2.305 ( -0.000 -2.590 0.560) 2.650 2.375 ( -0.000 -3.182 1.224) 3.410 2.530 ( 0.000 0.144 -8.107) 8.109 2.576 ( -0.000 -3.034 3.603) 4.710 2.932 ( 0.000 -6.317 0.622) 6.347 3.017 ( 0.000 -2.295 -1.658) 2.831 3.293 ( -0.000 -0.311 2.936) 2.952 3.321 ( 0.000 -2.661 0.018) 2.661 3.722 ( 0.000 9.189 -4.286) 10.139 3.991 ( 0.000 3.601 -4.515) 5.775 4.191 ( -0.000 4.395 4.057) 5.981 4.354 ( -0.000 -1.633 0.543) 1.720 4.382 ( -0.000 -5.206 2.743) 5.884 5.149 ( -0.000 0.364 1.633) 1.673 5.157 ( -0.000 2.390 -0.222) 2.400 6.135 ( 0.000 -6.329 0.594) 6.356 7.538 ( -0.000 -0.086 0.072) 0.112 7.842 ( 0.000 6.148 -3.665) 7.157 8.827 ( -0.000 -4.713 1.759) 5.030 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.785 ( 9.612 6.990 6.497) 13.545 1.060 ( 13.661 13.460 0.093) 19.179 1.574 ( -1.350 6.316 -1.122) 6.556 1.891 ( -4.196 0.106 2.865) 5.082 2.217 ( 0.708 -4.987 -1.141) 5.164 2.283 ( 2.034 -5.510 0.564) 5.900 2.343 ( -0.628 -1.552 -0.864) 1.884 2.475 ( -3.963 4.670 -3.524) 7.066 2.584 ( 1.113 -2.703 2.804) 4.050 2.812 ( -5.230 -5.694 1.178) 7.820 3.016 ( 1.519 -1.988 -0.509) 2.553 3.276 ( -1.942 -2.792 0.261) 3.411 3.320 ( -0.545 2.264 4.964) 5.483 3.849 ( 5.793 6.984 -3.476) 9.717 3.973 ( -0.187 -0.683 -4.876) 4.927 4.269 ( 1.154 -0.127 1.470) 1.873 4.321 ( -1.022 -3.501 3.052) 4.756 4.358 ( -0.274 3.430 1.050) 3.598 5.159 ( -0.949 0.819 0.035) 1.254 5.172 ( -0.454 3.401 1.117) 3.608 6.044 ( -2.513 -7.478 0.484) 7.903 7.531 ( -0.488 -0.349 0.033) 0.601 7.918 ( 2.989 6.449 -2.831) 7.651 8.771 ( -1.316 -5.223 1.101) 5.497 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.075 ( 13.010 1.259 10.387) 16.695 1.412 ( 12.645 8.966 -2.882) 15.767 1.580 ( -1.029 3.228 -5.447) 6.415 1.844 ( -2.270 2.066 0.571) 3.122 2.138 ( -0.942 -7.623 -2.538) 8.089 2.282 ( 0.595 -0.279 -0.638) 0.916 2.317 ( 0.043 -0.846 -2.580) 2.715 2.468 ( -0.027 2.141 -0.729) 2.262 2.562 ( -3.245 -0.753 1.073) 3.499 2.698 ( -1.797 -3.698 2.360) 4.741 3.002 ( -1.762 -0.851 -0.211) 1.968 3.202 ( -2.407 -3.789 0.657) 4.537 3.358 ( -2.089 3.452 5.869) 7.122 3.951 ( -0.182 2.326 -1.259) 2.651 3.992 ( 4.320 2.726 -2.442) 5.662 4.187 ( -1.685 -6.133 0.948) 6.430 4.334 ( 0.922 -0.851 0.551) 1.370 4.445 ( 2.729 5.374 0.587) 6.056 5.119 ( -2.669 -1.072 -0.761) 2.975 5.245 ( 2.031 6.239 1.524) 6.736 5.906 ( -4.421 -7.589 0.171) 8.785 7.516 ( -0.420 -0.863 0.006) 0.960 8.039 ( 4.180 6.662 -1.977) 8.109 8.688 ( -2.208 -5.650 0.568) 6.093 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.340 ( 8.477 3.458 6.968) 11.505 1.523 ( -1.167 -4.291 -5.214) 6.853 1.652 ( 10.366 2.570 -5.698) 12.105 1.886 ( 2.012 3.952 0.390) 4.451 2.045 ( -0.438 -4.249 0.258) 4.279 2.236 ( -5.304 -3.334 -0.258) 6.270 2.309 ( 1.009 2.070 -1.910) 2.992 2.445 ( -4.476 -1.379 -0.306) 4.694 2.560 ( 5.754 0.296 0.448) 5.779 2.702 ( 1.312 1.776 0.635) 2.298 2.918 ( -7.554 1.098 -1.254) 7.735 3.142 ( 0.222 -4.875 1.706) 5.170 3.363 ( -3.399 2.195 4.171) 5.812 3.988 ( -0.008 4.212 1.151) 4.367 3.995 ( -2.796 0.283 -0.985) 2.978 4.180 ( 6.013 -5.727 -1.152) 8.383 4.346 ( -0.149 2.993 -1.167) 3.216 4.520 ( -0.374 2.673 2.092) 3.415 5.055 ( -0.567 -4.174 -0.565) 4.250 5.372 ( 3.359 7.216 0.872) 8.007 5.748 ( -5.298 -6.022 -0.059) 8.021 7.502 ( 0.064 -1.225 -0.019) 1.227 8.169 ( 3.295 6.651 -1.128) 7.508 8.592 ( -1.919 -5.913 0.080) 6.218 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.345 ( -6.394 -5.746 -6.676) 10.884 1.532 ( 4.824 1.427 2.095) 5.449 1.808 ( 7.838 0.349 -4.982) 9.294 1.920 ( -1.668 0.851 0.600) 1.967 2.075 ( -5.839 -5.138 1.161) 7.864 2.099 ( 6.777 0.258 3.832) 7.790 2.356 ( -0.354 2.234 -0.260) 2.277 2.370 ( -0.165 1.048 0.018) 1.062 2.653 ( 3.493 -1.679 -2.653) 4.697 2.728 ( -4.916 -2.557 1.166) 5.662 2.817 ( -1.348 9.000 -1.022) 9.157 3.125 ( 2.067 -4.552 1.989) 5.380 3.333 ( -3.460 1.386 1.872) 4.171 3.972 ( -0.212 2.511 -0.452) 2.560 4.017 ( -1.260 1.354 1.374) 2.304 4.197 ( 4.104 -7.560 -1.987) 8.828 4.385 ( -0.683 7.284 -3.149) 7.965 4.497 ( -5.115 0.375 3.816) 6.393 5.033 ( 3.914 -5.249 0.109) 6.549 5.463 ( -2.588 2.828 0.108) 3.835 5.648 ( 1.066 -0.552 0.250) 1.226 7.496 ( 0.659 -1.140 -0.039) 1.317 8.247 ( -1.863 4.799 -0.130) 5.149 8.530 ( 2.194 -4.406 -0.533) 4.951 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.101 ( -8.143 -8.813 -5.841) 13.345 1.604 ( -3.992 7.706 -0.139) 8.680 1.758 ( -4.819 -6.704 0.566) 8.276 1.895 ( -3.060 -0.389 0.341) 3.104 2.069 ( 6.921 0.235 -0.444) 6.939 2.239 ( 5.996 -1.196 1.588) 6.317 2.377 ( 4.221 0.980 1.281) 4.518 2.438 ( 0.289 6.237 -0.720) 6.285 2.549 ( -8.513 0.629 -2.002) 8.768 2.657 ( 0.088 -5.577 0.522) 5.602 2.931 ( 3.121 4.598 0.141) 5.559 3.144 ( 3.447 -2.358 1.219) 4.351 3.294 ( -2.679 0.806 0.240) 2.807 3.994 ( -1.775 0.501 0.791) 2.007 4.031 ( 2.054 3.489 1.086) 4.192 4.155 ( 1.285 -6.843 -2.572) 7.422 4.401 ( -3.628 3.708 -2.956) 5.970 4.432 ( -2.722 -0.028 2.667) 3.811 5.076 ( 4.595 -2.416 0.637) 5.230 5.354 ( -8.270 -0.089 0.046) 8.271 5.759 ( 7.511 1.772 0.212) 7.720 7.502 ( 1.016 -0.625 -0.032) 1.193 8.192 ( -6.500 0.859 0.228) 6.561 8.581 ( 5.720 -0.766 -0.523) 5.795 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.866 ( -10.489 0.000 0.000) 10.489 1.469 ( -13.041 0.000 0.000) 13.041 1.683 ( -3.671 0.000 0.000) 3.671 1.823 ( -3.509 0.000 0.000) 3.509 2.200 ( 6.628 -0.000 -0.000) 6.628 2.295 ( 1.100 -0.000 -0.000) 1.100 2.395 ( -6.293 0.000 0.000) 6.293 2.465 ( 1.389 -0.000 -0.000) 1.389 2.515 ( 1.241 -0.000 -0.000) 1.241 2.642 ( 6.102 -0.000 -0.000) 6.102 2.998 ( 2.237 -0.000 -0.000) 2.237 3.207 ( 4.202 -0.000 -0.000) 4.202 3.263 ( -1.210 0.000 0.000) 1.210 3.988 ( -0.513 0.000 0.000) 0.513 4.051 ( -1.361 0.000 0.000) 1.361 4.166 ( 5.279 -0.000 -0.000) 5.279 4.349 ( -2.642 0.000 0.000) 2.642 4.374 ( -5.695 0.000 0.000) 5.695 5.133 ( 2.626 -0.000 -0.000) 2.626 5.216 ( -6.776 0.000 0.000) 6.776 5.909 ( 8.223 -0.000 -0.000) 8.223 7.516 ( 0.925 -0.000 -0.000) 0.925 8.074 ( -6.941 0.000 0.000) 6.941 8.677 ( 5.368 -0.000 -0.000) 5.368 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.831 ( 0.000 14.454 -5.304) 15.397 1.081 ( -0.000 11.665 7.229) 13.723 1.625 ( 0.000 3.181 -3.757) 4.923 1.957 ( -0.000 1.696 0.618) 1.805 2.150 ( -0.000 -6.826 2.620) 7.311 2.172 ( 0.000 -8.583 -0.096) 8.584 2.327 ( 0.000 -2.008 -1.544) 2.533 2.507 ( 0.000 0.629 -4.280) 4.326 2.572 ( -0.000 -0.862 3.408) 3.515 2.850 ( -0.000 -3.456 1.731) 3.865 2.952 ( 0.000 -2.257 -2.246) 3.184 3.268 ( 0.000 -2.466 0.148) 2.471 3.396 ( -0.000 4.314 7.946) 9.042 3.858 ( 0.000 8.584 -5.021) 9.944 3.955 ( 0.000 0.844 -2.794) 2.919 4.248 ( 0.000 -2.947 -0.012) 2.947 4.292 ( -0.000 -6.587 3.697) 7.554 4.414 ( -0.000 6.335 0.364) 6.346 5.194 ( -0.000 2.894 1.542) 3.279 5.206 ( -0.000 2.523 -0.238) 2.534 5.983 ( 0.000 -9.087 0.484) 9.100 7.535 ( 0.000 -0.212 0.000) 0.212 7.945 ( 0.000 6.901 -2.570) 7.364 8.731 ( 0.000 -5.781 0.702) 5.824 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.988 ( 5.482 8.398 2.007) 10.227 1.301 ( 7.747 9.074 0.822) 11.959 1.611 ( -1.243 1.392 -5.889) 6.178 1.923 ( -3.980 0.985 0.712) 4.161 2.071 ( -0.421 -4.908 -1.150) 5.059 2.194 ( 6.723 -4.184 1.195) 8.008 2.299 ( -0.125 -1.174 -0.817) 1.435 2.467 ( -1.756 -1.475 -2.858) 3.665 2.592 ( 0.455 0.358 2.630) 2.693 2.749 ( -5.595 -2.694 -0.098) 6.211 2.963 ( 3.001 -2.687 -0.978) 4.145 3.222 ( -2.587 -2.335 0.247) 3.494 3.458 ( -1.620 2.770 6.638) 7.373 3.942 ( 2.666 5.563 -3.960) 7.331 3.976 ( 0.752 3.464 0.261) 3.554 4.178 ( -2.863 -6.303 1.069) 7.005 4.275 ( 3.487 -3.695 1.794) 5.388 4.483 ( 0.022 6.792 -0.536) 6.813 5.176 ( -3.864 1.046 -0.414) 4.025 5.276 ( 2.244 5.396 1.144) 5.954 5.873 ( -1.696 -9.647 0.261) 9.799 7.523 ( -0.902 -0.392 -0.020) 0.984 8.032 ( 3.032 6.761 -1.897) 7.649 8.662 ( -1.310 -5.932 0.349) 6.085 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.200 ( 9.225 2.502 6.073) 11.325 1.473 ( 6.243 0.274 -4.128) 7.489 1.547 ( -1.716 -1.075 -5.904) 6.242 1.910 ( 0.185 2.954 0.540) 3.009 2.040 ( -0.808 1.126 0.296) 1.417 2.275 ( 1.944 0.429 0.111) 1.994 2.299 ( 0.650 0.762 -1.769) 2.032 2.414 ( 1.859 -3.138 -1.198) 3.839 2.562 ( -5.548 -1.368 2.235) 6.135 2.688 ( 1.574 0.546 -0.649) 1.787 2.974 ( 1.203 -1.538 -0.903) 2.151 3.134 ( -4.269 -3.102 0.730) 5.327 3.458 ( -3.130 0.913 3.734) 4.958 4.007 ( 0.411 2.583 0.127) 2.619 4.020 ( 3.508 -3.249 -1.125) 4.912 4.074 ( -3.170 -1.692 0.810) 3.684 4.361 ( 4.810 3.330 2.418) 6.330 4.538 ( 0.269 4.377 -1.677) 4.695 5.081 ( -5.954 -2.091 -0.383) 6.322 5.392 ( 3.047 6.683 0.761) 7.384 5.743 ( -2.448 -8.191 -0.030) 8.549 7.500 ( -0.952 -0.641 -0.018) 1.147 8.160 ( 4.544 6.437 -1.153) 7.964 8.570 ( -2.455 -5.914 0.112) 6.404 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.308 ( -1.242 -5.374 -2.700) 6.141 1.492 ( 5.469 1.667 4.141) 7.060 1.623 ( 9.413 0.586 -5.681) 11.010 1.946 ( 0.118 1.223 0.373) 1.284 2.062 ( 0.725 2.300 1.333) 2.756 2.179 ( -8.318 -1.922 0.071) 8.537 2.364 ( 2.639 3.750 0.418) 4.605 2.413 ( -3.387 -0.693 -0.995) 3.597 2.523 ( 5.370 -3.130 0.013) 6.216 2.743 ( 2.024 1.334 0.071) 2.425 2.956 ( -4.624 4.353 -2.358) 6.774 3.047 ( 0.521 -6.116 2.180) 6.514 3.415 ( -3.705 0.360 1.553) 4.033 3.990 ( -0.299 0.275 -0.109) 0.421 4.038 ( 1.943 -3.342 -1.065) 4.010 4.068 ( 0.930 -0.081 0.734) 1.187 4.477 ( -0.868 6.914 1.687) 7.170 4.567 ( 0.587 0.946 -0.873) 1.414 4.952 ( -2.751 -4.415 -0.208) 5.206 5.511 ( 2.151 5.911 0.333) 6.299 5.629 ( -2.050 -5.592 -0.112) 5.957 7.482 ( -0.243 -0.551 -0.015) 0.603 8.300 ( 3.709 6.643 -0.416) 7.619 8.462 ( -2.283 -6.399 -0.068) 6.795 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.177 ( -6.916 0.000 0.000) 6.916 1.635 ( 5.550 -0.000 -0.000) 5.550 1.760 ( 4.526 -0.000 -0.000) 4.526 1.935 ( -1.979 0.000 0.000) 1.979 2.021 ( -4.943 0.000 0.000) 4.943 2.128 ( 5.163 -0.000 -0.000) 5.163 2.355 ( -1.247 0.000 0.000) 1.247 2.438 ( 2.564 -0.000 -0.000) 2.564 2.593 ( 3.901 -0.000 -0.000) 3.901 2.707 ( -7.347 0.000 0.000) 7.347 2.925 ( 0.125 -0.000 -0.000) 0.125 3.066 ( 3.682 -0.000 -0.000) 3.682 3.356 ( -3.595 0.000 0.000) 3.595 4.025 ( 2.119 -0.000 -0.000) 2.119 4.026 ( -0.510 0.000 0.000) 0.510 4.076 ( 1.012 -0.000 -0.000) 1.012 4.477 ( -2.410 0.000 0.000) 2.410 4.517 ( -6.280 0.000 0.000) 6.280 4.962 ( 5.679 -0.000 -0.000) 5.679 5.488 ( -6.589 0.000 0.000) 6.589 5.650 ( 5.789 -0.000 -0.000) 5.789 7.483 ( 0.624 -0.000 -0.000) 0.624 8.315 ( -6.300 0.000 0.000) 6.300 8.463 ( 6.598 -0.000 -0.000) 6.598 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.034 ( 0.000 9.266 -3.509) 9.908 1.351 ( -0.000 9.488 3.022) 9.957 1.584 ( 0.000 -2.370 -5.626) 6.105 1.983 ( -0.000 -3.276 1.191) 3.486 2.049 ( -0.000 -5.127 2.378) 5.652 2.056 ( 0.000 1.740 -0.705) 1.878 2.285 ( 0.000 -0.645 -0.210) 0.679 2.464 ( 0.000 -0.825 -2.219) 2.367 2.598 ( -0.000 0.354 2.340) 2.367 2.784 ( 0.000 -3.701 -0.330) 3.716 2.885 ( 0.000 -2.097 -1.883) 2.819 3.230 ( 0.000 -1.315 0.154) 1.324 3.520 ( -0.000 0.907 4.298) 4.392 3.972 ( 0.000 7.523 -5.010) 9.038 3.997 ( -0.000 0.788 0.057) 0.790 4.160 ( -0.000 -2.322 0.946) 2.507 4.193 ( -0.000 -6.882 4.231) 8.078 4.555 ( -0.000 6.588 0.051) 6.588 5.247 ( -0.000 1.610 -0.160) 1.618 5.296 ( -0.000 6.111 0.075) 6.111 5.782 ( 0.000 -10.615 0.268) 10.618 7.530 ( 0.000 -0.194 -0.035) 0.197 8.060 ( 0.000 5.804 -1.374) 5.964 8.618 ( 0.000 -5.199 0.160) 5.201 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.139 ( 4.861 4.665 -0.133) 6.739 1.424 ( -0.979 3.117 -0.647) 3.331 1.523 ( -1.021 -3.564 -2.434) 4.435 1.928 ( -0.204 0.017 0.383) 0.434 2.075 ( 0.284 1.608 -0.239) 1.651 2.136 ( 8.731 -1.090 0.363) 8.806 2.293 ( 0.825 0.456 0.717) 1.184 2.420 ( -2.925 -0.814 -0.968) 3.187 2.631 ( 1.283 0.752 2.230) 2.681 2.686 ( -4.928 -1.951 -1.675) 5.558 2.898 ( 3.183 -2.091 -0.828) 3.898 3.192 ( -3.225 -0.808 0.125) 3.327 3.522 ( -1.871 0.197 1.861) 2.646 3.960 ( -0.996 -2.282 -1.345) 2.830 4.029 ( 0.620 3.914 -1.521) 4.245 4.112 ( -2.555 -2.800 1.587) 4.109 4.260 ( 8.110 0.247 2.231) 8.415 4.600 ( -1.395 4.064 -0.150) 4.299 5.188 ( -6.461 0.438 -0.342) 6.485 5.402 ( 3.314 5.778 0.065) 6.662 5.679 ( -0.383 -8.189 0.130) 8.199 7.517 ( -1.167 -0.175 -0.019) 1.180 8.135 ( 3.415 3.774 -0.687) 5.136 8.560 ( -1.705 -3.486 0.058) 3.881 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.264 ( 4.581 -0.000 -0.000) 4.581 1.422 ( 2.286 -0.000 -0.000) 2.286 1.499 ( 2.271 -0.000 -0.000) 2.271 1.945 ( 0.802 -0.000 -0.000) 0.802 2.081 ( -0.495 0.000 0.000) 0.495 2.293 ( -3.840 0.000 0.000) 3.840 2.309 ( 9.912 -0.000 -0.000) 9.912 2.364 ( -0.419 0.000 0.000) 0.419 2.552 ( -6.783 0.000 0.000) 6.783 2.699 ( 3.441 -0.000 -0.000) 3.441 2.941 ( 3.393 -0.000 -0.000) 3.393 3.106 ( -5.911 0.000 0.000) 5.911 3.482 ( -3.172 0.000 0.000) 3.172 3.945 ( 1.736 -0.000 -0.000) 1.736 4.047 ( -2.790 0.000 0.000) 2.790 4.063 ( 0.756 -0.000 -0.000) 0.756 4.436 ( 9.609 -0.000 -0.000) 9.609 4.581 ( -2.855 0.000 0.000) 2.855 5.048 ( -8.565 0.000 0.000) 8.565 5.499 ( 3.444 -0.000 -0.000) 3.444 5.620 ( -1.269 0.000 0.000) 1.269 7.493 ( -1.185 0.000 0.000) 1.185 8.237 ( 5.711 -0.000 -0.000) 5.711 8.493 ( -3.598 0.000 0.000) 3.598 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.115 ( -0.000 0.000 0.000) 0.000 1.488 ( -0.000 -0.000 0.000) 0.000 1.501 ( 0.000 0.000 -0.000) 0.000 1.923 ( -0.000 0.000 0.000) 0.000 2.006 ( -0.000 0.000 0.000) 0.000 2.107 ( -0.000 0.000 0.000) 0.000 2.290 ( -0.000 0.000 0.000) 0.000 2.444 ( -0.000 0.000 0.000) 0.000 2.617 ( -0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 -0.000) 0.000 2.849 ( -0.000 0.000 0.000) 0.000 3.218 ( -0.000 0.000 0.000) 0.000 3.544 ( -0.000 0.000 0.000) 0.000 3.965 ( -0.000 0.000 0.000) 0.000 4.047 ( -0.000 0.000 0.000) 0.000 4.119 ( -0.000 0.000 0.000) 0.000 4.177 ( -0.000 -0.000 0.000) 0.000 4.635 ( -0.000 0.000 0.000) 0.000 5.264 ( -0.000 0.000 0.000) 0.000 5.397 ( -0.000 0.000 0.000) 0.000 5.631 ( -0.000 0.000 0.000) 0.000 7.528 ( -0.000 0.000 0.000) 0.000 8.121 ( -0.000 0.000 0.000) 0.000 8.557 ( -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 2.11e-04 2.11e-04 2.11e-04 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| 0.290 ( -0.000 -0.000 19.328) 19.328 0.290 ( -0.000 -0.000 19.328) 19.328 0.544 ( -0.000 -0.000 36.189) 36.189 2.143 ( -0.000 -0.000 0.125) 0.125 2.337 ( 0.000 -0.000 0.045) 0.045 2.337 ( -0.000 -0.000 0.045) 0.045 2.608 ( 0.000 0.000 -4.383) 4.383 2.608 ( 0.000 0.000 -4.383) 4.383 2.701 ( -0.000 -0.000 1.035) 1.035 3.122 ( -0.000 -0.000 0.320) 0.320 3.122 ( -0.000 -0.000 0.320) 0.320 3.389 ( -0.000 -0.000 0.008) 0.008 3.524 ( -0.000 -0.000 2.675) 2.675 3.524 ( -0.000 -0.000 2.675) 2.675 3.821 ( 0.000 0.000 -13.997) 13.997 4.172 ( -0.000 -0.000 6.359) 6.359 4.462 ( 0.000 0.000 -0.658) 0.658 4.462 ( 0.000 0.000 -0.658) 0.658 5.104 ( 0.000 0.000 -0.190) 0.190 5.104 ( 0.000 0.000 -0.190) 0.190 6.267 ( -0.000 -0.000 1.036) 1.036 7.537 ( -0.000 -0.000 0.100) 0.100 7.537 ( -0.000 -0.000 0.100) 0.100 9.043 ( 0.000 0.000 -0.021) 0.021 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.494 ( 19.820 11.443 1.366) 22.927 0.693 ( 13.456 7.769 15.278) 21.791 0.895 ( 12.081 6.975 27.423) 30.767 2.040 ( -7.127 -4.115 4.470) 9.365 2.300 ( -3.572 -2.063 -1.100) 4.269 2.321 ( -1.429 -0.825 -0.100) 1.654 2.455 ( -6.510 -3.758 4.393) 8.706 2.471 ( -4.100 -2.367 -5.967) 7.617 2.759 ( -0.094 -0.054 -6.352) 6.353 3.061 ( -4.195 -2.422 0.621) 4.883 3.101 ( -1.575 -0.909 0.692) 1.945 3.369 ( -1.555 -0.898 0.033) 1.796 3.373 ( -6.197 -3.578 0.345) 7.164 3.697 ( 8.187 4.727 3.985) 10.259 3.704 ( 6.633 3.830 1.257) 7.762 4.146 ( 1.196 0.690 4.046) 4.276 4.396 ( -3.407 -1.967 -1.363) 4.163 4.489 ( -2.922 -1.687 -0.836) 3.477 5.104 ( -0.239 -0.138 0.293) 0.403 5.112 ( 0.708 0.409 -0.539) 0.979 6.235 ( -3.034 -1.751 1.051) 3.657 7.537 ( -0.014 -0.008 0.095) 0.096 7.714 ( 7.102 4.101 -5.984) 10.152 8.930 ( -4.626 -2.671 3.936) 6.635 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.970 ( 19.322 11.155 -0.612) 22.319 1.026 ( 9.132 5.272 8.219) 13.370 1.321 ( 14.614 8.437 15.610) 22.988 1.888 ( -6.425 -3.710 1.902) 7.659 2.178 ( -4.235 -2.445 -0.773) 4.951 2.289 ( -0.743 -0.429 -0.859) 1.214 2.355 ( -3.919 -2.263 1.136) 4.666 2.401 ( -0.794 -0.458 -2.887) 3.029 2.667 ( -4.682 -2.703 -3.944) 6.692 2.961 ( -4.623 -2.669 1.357) 5.508 3.057 ( -2.691 -1.554 0.200) 3.114 3.283 ( -2.780 -1.605 1.499) 3.543 3.323 ( -2.233 -1.289 0.074) 2.580 3.874 ( 4.842 2.796 -0.256) 5.597 3.920 ( 9.525 5.500 -3.824) 11.645 4.228 ( 4.561 2.633 2.170) 5.695 4.328 ( -1.437 -0.830 1.877) 2.505 4.373 ( -5.967 -3.445 1.070) 6.972 5.101 ( -0.092 -0.053 0.574) 0.584 5.126 ( 0.815 0.471 -1.242) 1.558 6.137 ( -5.697 -3.289 0.861) 6.634 7.537 ( -0.041 -0.024 0.067) 0.082 7.835 ( 5.877 3.393 -3.503) 7.637 8.851 ( -3.879 -2.240 2.124) 4.957 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.168 ( 1.657 0.957 -0.980) 2.150 1.376 ( 15.285 8.825 0.236) 17.651 1.695 ( 11.636 6.718 6.923) 15.114 1.796 ( -0.976 -0.563 -0.908) 1.447 2.176 ( 3.380 1.951 6.254) 7.372 2.258 ( -4.173 -2.409 -1.049) 4.931 2.284 ( 0.147 0.085 -1.117) 1.130 2.377 ( -0.380 -0.220 -2.686) 2.722 2.529 ( -5.462 -3.154 -2.057) 6.634 2.860 ( -4.401 -2.541 1.262) 5.236 2.961 ( -5.511 -3.182 -1.296) 6.494 3.245 ( -1.479 -0.854 3.462) 3.861 3.276 ( -1.591 -0.919 0.250) 1.854 3.903 ( -0.529 -0.306 -4.045) 4.091 4.025 ( 0.533 0.308 -2.640) 2.711 4.264 ( -1.683 -0.972 -1.807) 2.653 4.365 ( 2.218 1.281 4.649) 5.308 4.381 ( 5.590 3.227 2.929) 7.088 5.122 ( 2.270 1.311 0.884) 2.767 5.140 ( 0.954 0.551 -1.355) 1.747 5.980 ( -7.863 -4.540 0.561) 9.097 7.536 ( -0.080 -0.046 0.020) 0.095 7.961 ( 5.956 3.439 -2.266) 7.241 8.764 ( -4.175 -2.410 1.015) 4.926 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.155 ( -0.327 -0.189 -3.245) 3.267 1.671 ( 10.320 5.958 -4.759) 12.832 1.838 ( 3.735 2.156 2.908) 5.201 1.913 ( 4.936 2.850 -0.249) 5.705 2.143 ( -4.141 -2.391 -1.729) 5.085 2.277 ( -0.689 -0.398 -2.230) 2.368 2.327 ( 0.801 0.463 2.988) 3.128 2.378 ( 5.579 3.221 2.129) 6.785 2.403 ( -4.776 -2.757 1.152) 5.634 2.786 ( -1.758 -1.015 0.399) 2.068 2.793 ( -7.310 -4.220 -2.368) 8.766 3.240 ( -1.158 -0.669 5.381) 5.544 3.251 ( -0.720 -0.416 0.132) 0.842 3.867 ( -0.358 -0.207 -2.215) 2.253 3.994 ( -0.651 -0.376 -0.660) 1.000 4.249 ( 0.897 0.518 -4.909) 5.017 4.423 ( 0.731 0.422 1.598) 1.808 4.465 ( -0.338 -0.195 4.804) 4.819 5.160 ( 1.111 0.641 -0.229) 1.303 5.238 ( 7.054 4.073 0.290) 8.151 5.784 ( -8.644 -4.991 0.367) 9.988 7.534 ( -0.073 -0.042 -0.036) 0.091 8.081 ( 4.716 2.723 -1.308) 5.601 8.673 ( -3.526 -2.036 0.064) 4.072 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.163 ( 1.833 1.058 -0.577) 2.193 1.804 ( -1.202 -0.694 -9.704) 9.803 1.864 ( 0.928 0.536 -0.222) 1.094 1.919 ( -2.636 -1.522 -3.253) 4.455 2.102 ( -0.116 -0.067 0.223) 0.260 2.258 ( -4.155 -2.399 -6.279) 7.903 2.286 ( 3.943 2.277 3.287) 5.616 2.341 ( -1.007 -0.582 1.081) 1.588 2.514 ( -1.291 -0.746 5.171) 5.381 2.700 ( 3.651 2.108 1.025) 4.338 2.778 ( 0.349 0.201 0.183) 0.442 3.235 ( -1.538 -0.888 5.664) 5.936 3.240 ( -0.210 -0.121 -0.277) 0.368 3.881 ( 1.855 1.071 1.058) 2.389 4.007 ( 1.018 0.588 0.692) 1.365 4.248 ( 1.943 1.122 -7.158) 7.502 4.402 ( -2.215 -1.279 -2.840) 3.822 4.442 ( -3.043 -1.757 6.111) 7.049 5.185 ( 0.683 0.394 1.282) 1.505 5.369 ( 0.092 0.053 0.036) 0.112 5.645 ( 0.096 0.056 0.485) 0.498 7.533 ( -0.001 -0.000 -0.075) 0.075 8.146 ( 0.658 0.380 -0.344) 0.834 8.620 ( -0.372 -0.215 -0.880) 0.979 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.194 ( -0.496 -0.286 -1.102) 1.242 1.530 ( -13.231 -7.639 -10.913) 18.775 1.792 ( -5.941 -3.430 0.378) 6.870 1.930 ( 0.191 0.110 0.217) 0.309 2.109 ( -3.974 -2.294 -5.895) 7.470 2.131 ( 3.581 2.067 -2.515) 4.840 2.334 ( 0.410 0.236 -0.047) 0.475 2.450 ( 6.212 3.586 3.396) 7.936 2.473 ( -1.907 -1.101 3.495) 4.130 2.787 ( 0.331 0.191 0.614) 0.723 2.859 ( 6.389 3.688 2.000) 7.643 3.230 ( -0.889 -0.513 4.429) 4.546 3.242 ( 0.583 0.337 -0.464) 0.817 3.956 ( 2.954 1.706 3.566) 4.935 4.026 ( 0.687 0.397 0.816) 1.138 4.273 ( 2.422 1.398 -7.050) 7.584 4.303 ( -3.847 -2.221 -5.905) 7.390 4.401 ( -3.051 -1.762 5.298) 6.363 5.198 ( -0.328 -0.190 1.880) 1.918 5.246 ( -7.014 -4.049 1.016) 8.162 5.788 ( 8.434 4.869 0.243) 9.742 7.533 ( 0.075 0.043 -0.073) 0.113 8.105 ( -3.719 -2.147 0.034) 4.294 8.651 ( 3.095 1.787 -1.205) 3.771 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.055 ( -9.806 -5.662 -7.689) 13.687 1.134 ( -15.524 -8.963 -10.485) 20.767 1.644 ( -8.699 -5.022 1.894) 10.222 1.878 ( -3.342 -1.930 3.413) 5.152 2.094 ( 3.906 2.255 0.436) 4.531 2.228 ( 4.850 2.800 -2.287) 6.049 2.339 ( -0.342 -0.198 1.375) 1.431 2.468 ( -0.004 -0.002 3.415) 3.415 2.579 ( 3.841 2.218 0.136) 4.437 2.823 ( 3.263 1.884 -0.547) 3.807 2.982 ( 3.573 2.063 0.048) 4.126 3.240 ( 0.330 0.190 2.396) 2.426 3.269 ( 1.900 1.097 -0.203) 2.203 3.976 ( -4.169 -2.407 -0.761) 4.874 4.070 ( 3.217 1.858 -1.949) 4.195 4.238 ( 2.148 1.240 -1.755) 3.039 4.251 ( -3.560 -2.055 -2.578) 4.852 4.338 ( -3.219 -1.859 3.392) 5.032 5.134 ( -2.604 -1.504 1.741) 3.475 5.187 ( -1.300 -0.751 1.411) 2.060 5.979 ( 7.436 4.293 0.134) 8.587 7.535 ( 0.086 0.050 -0.029) 0.103 7.997 ( -4.967 -2.868 -0.319) 5.744 8.731 ( 3.770 2.176 -0.791) 4.424 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.703 ( -15.130 -8.735 -11.224) 20.765 0.719 ( -15.863 -9.158 -6.468) 19.425 1.334 ( -19.959 -11.523 9.727) 25.015 1.892 ( 3.133 1.809 2.894) 4.633 2.230 ( 5.393 3.114 1.917) 6.516 2.302 ( 1.355 0.782 -0.070) 1.566 2.355 ( 2.026 1.170 1.256) 2.655 2.515 ( 2.687 1.551 4.414) 5.395 2.645 ( 3.621 2.091 -6.563) 7.782 2.931 ( 5.686 3.283 -0.414) 6.579 3.038 ( 1.881 1.086 -1.157) 2.461 3.265 ( 1.032 0.596 0.914) 1.502 3.321 ( 2.339 1.350 -0.019) 2.701 3.791 ( -8.608 -4.970 -4.790) 11.033 4.047 ( -10.539 -6.085 -1.114) 12.220 4.125 ( -0.587 -0.339 2.245) 2.345 4.343 ( 4.834 2.791 2.329) 6.049 4.350 ( 3.514 2.029 -0.133) 4.060 5.122 ( 0.023 0.013 1.836) 1.836 5.155 ( -1.721 -0.994 0.470) 2.042 6.130 ( 5.349 3.088 0.144) 6.178 7.537 ( 0.037 0.021 0.032) 0.054 7.882 ( -4.307 -2.486 -1.452) 5.180 8.810 ( 3.058 1.766 0.290) 3.543 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.334 ( -0.000 2.490 11.306) 11.577 0.656 ( -0.000 5.312 20.828) 21.495 1.141 ( -0.000 20.201 20.362) 28.683 2.078 ( -0.000 -5.665 2.269) 6.102 2.320 ( 0.000 -0.555 -0.130) 0.570 2.325 ( -0.000 -1.650 0.327) 1.682 2.461 ( 0.000 -2.774 -3.301) 4.312 2.574 ( 0.000 -9.976 -1.650) 10.112 2.621 ( 0.000 0.659 -1.898) 2.009 3.064 ( 0.000 -5.757 0.610) 5.789 3.077 ( 0.000 -3.876 0.186) 3.880 3.367 ( 0.000 -1.839 -0.019) 1.839 3.371 ( -0.000 -8.118 1.380) 8.234 3.557 ( -0.000 4.725 -0.228) 4.730 3.828 ( -0.000 9.736 0.880) 9.776 4.162 ( -0.000 0.179 3.229) 3.234 4.417 ( 0.000 -3.781 -2.382) 4.469 4.461 ( -0.000 -1.462 0.797) 1.665 5.114 ( 0.000 1.363 -0.449) 1.435 5.136 ( -0.000 1.848 0.006) 1.848 6.241 ( -0.000 -3.612 1.440) 3.889 7.539 ( -0.000 -0.006 0.137) 0.137 7.681 ( 0.000 8.041 -5.122) 9.533 8.944 ( -0.000 -5.898 3.237) 6.728 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.690 ( 22.634 6.854 1.623) 23.705 0.900 ( 9.389 4.003 16.126) 19.084 1.401 ( 0.922 12.338 10.373) 16.145 1.965 ( -5.818 -5.583 2.605) 8.474 2.281 ( -2.665 -1.074 -0.494) 2.915 2.308 ( -2.577 2.922 0.445) 3.921 2.386 ( -2.240 -1.747 -3.250) 4.316 2.412 ( -4.396 -3.731 0.316) 5.775 2.651 ( 0.831 -3.062 -2.827) 4.250 2.964 ( -2.543 -7.557 1.143) 8.055 3.060 ( 0.538 -2.572 0.173) 2.633 3.317 ( -1.616 -1.178 2.114) 2.910 3.337 ( -1.105 -2.026 0.463) 2.354 3.716 ( 10.252 4.019 -1.105) 11.067 3.914 ( 0.767 5.634 -2.843) 6.357 4.203 ( 2.394 3.018 0.769) 3.928 4.358 ( -1.642 -1.039 0.890) 2.137 4.422 ( -3.070 -3.832 1.204) 5.055 5.123 ( -0.691 1.688 0.056) 1.825 5.136 ( -1.114 1.602 -0.243) 1.967 6.177 ( -2.980 -5.069 1.329) 6.029 7.537 ( -0.144 -0.182 0.101) 0.253 7.774 ( 4.084 6.070 -3.965) 8.322 8.881 ( -2.147 -4.726 2.248) 5.657 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.103 ( 12.408 1.615 4.245) 13.213 1.201 ( 13.873 10.111 1.341) 17.219 1.529 ( 5.623 -0.251 1.722) 5.887 1.845 ( -4.445 -1.479 2.344) 5.239 2.233 ( -1.084 -0.792 -1.773) 2.224 2.304 ( -2.613 -1.486 0.620) 3.069 2.321 ( -3.165 4.174 0.781) 5.296 2.353 ( 0.503 0.571 -0.604) 0.972 2.582 ( -3.920 -1.444 -2.300) 4.768 2.850 ( -1.884 -8.363 1.353) 8.678 3.023 ( -2.977 -1.344 -0.120) 3.269 3.273 ( -1.925 -2.571 1.264) 3.452 3.323 ( -1.986 2.012 4.457) 5.278 3.890 ( 2.300 2.323 -2.547) 4.145 3.951 ( 5.280 0.802 -3.618) 6.451 4.283 ( -1.781 -1.435 -0.724) 2.399 4.341 ( 2.049 2.483 0.998) 3.371 4.361 ( 1.172 -0.010 2.705) 2.948 5.119 ( -0.845 0.486 -0.811) 1.268 5.151 ( 0.264 3.448 1.067) 3.619 6.050 ( -5.561 -6.087 1.008) 8.306 7.532 ( -0.020 -0.583 0.046) 0.586 7.899 ( 5.031 5.781 -2.779) 8.152 8.797 ( -2.984 -4.532 1.169) 5.551 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.213 ( -2.085 6.924 -2.109) 7.532 1.517 ( 10.849 5.483 -3.013) 12.524 1.680 ( 13.877 -5.805 -1.941) 15.167 1.827 ( 1.430 0.933 4.318) 4.643 2.151 ( -2.635 -5.249 -2.267) 6.295 2.262 ( -0.693 -0.090 -2.344) 2.446 2.309 ( 0.087 -2.530 0.564) 2.593 2.437 ( 0.896 6.968 2.566) 7.479 2.488 ( -4.233 1.979 -0.392) 4.689 2.750 ( -1.044 -6.221 0.230) 6.312 2.917 ( -7.433 -0.722 -0.851) 7.516 3.230 ( -0.292 -3.097 1.460) 3.437 3.334 ( -3.066 2.978 6.054) 7.411 3.893 ( -1.313 3.551 -1.805) 4.194 4.000 ( -0.345 -0.489 -0.762) 0.969 4.220 ( 0.254 -0.910 -2.927) 3.076 4.379 ( 2.112 -3.437 1.484) 4.299 4.471 ( 3.610 3.190 1.363) 5.007 5.109 ( 1.147 -1.643 -0.508) 2.067 5.231 ( 2.451 6.629 1.166) 7.163 5.875 ( -7.410 -6.161 0.642) 9.658 7.526 ( 0.213 -0.964 -0.022) 0.988 8.034 ( 4.734 5.701 -1.783) 7.621 8.699 ( -3.164 -4.508 0.214) 5.512 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.226 ( -3.478 8.785 -2.251) 9.712 1.658 ( 6.380 -4.215 -8.778) 11.641 1.787 ( 6.713 -5.682 -3.415) 9.435 1.898 ( 0.957 1.677 0.887) 2.125 2.102 ( 0.528 -0.277 1.378) 1.502 2.217 ( 1.370 -4.845 2.010) 5.421 2.298 ( -0.656 1.259 -1.820) 2.308 2.382 ( -3.884 -1.054 -0.161) 4.028 2.617 ( 2.371 9.964 3.376) 10.784 2.677 ( -2.144 -3.002 -2.310) 4.353 2.783 ( -3.829 -1.302 0.332) 4.058 3.211 ( 0.772 -2.997 1.299) 3.356 3.325 ( -3.673 1.293 5.682) 6.889 3.903 ( -1.245 3.927 -0.005) 4.119 4.000 ( 0.853 1.108 1.324) 1.926 4.218 ( 0.646 2.311 -6.063) 6.520 4.362 ( 0.897 -5.346 -1.414) 5.602 4.513 ( -2.182 0.218 4.450) 4.961 5.127 ( 3.638 -3.453 0.479) 5.039 5.367 ( 3.379 6.464 0.438) 7.307 5.693 ( -6.198 -3.847 0.445) 7.308 7.521 ( 0.502 -1.127 -0.077) 1.236 8.146 ( 2.038 4.615 -0.798) 5.108 8.611 ( -1.363 -3.660 -0.711) 3.969 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.218 ( -3.755 0.030 -3.159) 4.907 1.543 ( -3.505 -7.077 -6.499) 10.227 1.838 ( -0.849 -1.985 -4.653) 5.130 1.894 ( 0.798 0.997 0.328) 1.318 2.071 ( 0.109 -1.565 0.068) 1.571 2.263 ( -6.195 6.970 -4.696) 10.441 2.303 ( 3.706 -2.025 1.546) 4.497 2.364 ( 5.131 1.023 2.035) 5.614 2.540 ( -5.402 -0.480 0.790) 5.481 2.755 ( 0.850 -2.666 0.305) 2.815 2.818 ( 5.812 5.944 2.261) 8.615 3.207 ( 1.416 -2.487 0.788) 2.969 3.296 ( -3.091 0.087 4.924) 5.815 3.949 ( 1.863 3.111 1.653) 3.985 4.024 ( -0.021 -0.462 1.538) 1.606 4.235 ( 1.279 2.595 -6.727) 7.323 4.292 ( -1.829 -2.414 -4.099) 5.097 4.473 ( -3.748 -1.214 5.454) 6.728 5.156 ( 3.095 -4.004 1.336) 5.234 5.364 ( -7.213 -0.595 0.729) 7.274 5.698 ( 6.316 3.697 0.070) 7.319 7.520 ( 0.719 -0.997 -0.091) 1.233 8.165 ( -3.416 1.533 -0.218) 3.750 8.595 ( 3.013 -0.908 -1.191) 3.365 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.008 ( -8.085 -12.842 -5.746) 16.227 1.388 ( -12.054 3.961 -4.467) 13.451 1.724 ( -4.996 -3.014 -0.968) 5.914 1.879 ( -1.358 -3.896 2.026) 4.596 2.145 ( 6.111 3.572 -2.488) 7.503 2.211 ( -6.031 10.024 -3.339) 12.166 2.324 ( 1.725 -0.921 0.092) 1.958 2.493 ( -0.233 -0.002 4.206) 4.213 2.511 ( 5.161 0.425 -0.000) 5.178 2.739 ( 2.494 -5.253 0.589) 5.845 2.957 ( 3.290 3.725 0.841) 5.040 3.225 ( 2.692 -1.191 0.290) 2.958 3.272 ( -1.787 -0.284 3.725) 4.141 3.998 ( 0.157 -0.730 0.737) 1.049 4.036 ( 0.242 0.713 -1.108) 1.339 4.188 ( 1.515 -2.384 -3.282) 4.330 4.284 ( -1.024 4.140 -3.210) 5.338 4.413 ( -4.562 -1.737 4.041) 6.337 5.162 ( 0.699 -2.579 1.205) 2.931 5.231 ( -6.032 -0.827 1.391) 6.245 5.875 ( 8.436 3.236 -0.039) 9.035 7.524 ( 0.725 -0.653 -0.054) 0.977 8.076 ( -6.159 -0.526 -0.623) 6.213 8.667 ( 4.842 0.904 -0.667) 4.971 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.711 ( -10.903 -6.464 1.125) 12.725 1.120 ( -20.196 6.103 -6.337) 22.029 1.565 ( -11.073 -4.807 2.138) 12.259 1.843 ( 1.442 -3.232 3.149) 4.738 2.235 ( 0.793 5.047 -1.143) 5.235 2.277 ( 3.800 3.885 0.077) 5.435 2.340 ( 0.128 -0.628 1.259) 1.412 2.528 ( 2.566 0.958 2.770) 3.896 2.537 ( 1.087 -3.186 -2.695) 4.312 2.804 ( 8.439 -1.533 -0.005) 8.578 3.023 ( 1.562 1.642 -0.342) 2.291 3.266 ( 0.044 -0.410 1.675) 1.725 3.278 ( 3.197 0.233 0.424) 3.234 3.898 ( -7.984 -0.720 -2.880) 8.519 4.054 ( 2.241 0.683 -5.537) 6.012 4.238 ( -6.064 0.339 2.580) 6.599 4.275 ( 4.595 0.626 2.512) 5.274 4.335 ( -1.384 -1.130 1.612) 2.407 5.141 ( -2.092 -0.256 1.547) 2.614 5.168 ( -0.562 -1.674 0.158) 1.773 6.041 ( 7.428 1.550 0.089) 7.589 7.531 ( 0.503 -0.269 0.010) 0.570 7.953 ( -6.236 -0.650 -1.604) 6.472 8.759 ( 4.457 1.019 0.396) 4.589 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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 10.308 3.193) 10.792 0.959 ( -0.000 6.190 16.515) 17.637 1.529 ( -0.000 5.973 1.712) 6.213 1.978 ( -0.000 -3.813 1.165) 3.987 2.275 ( -0.000 -3.998 1.112) 4.150 2.313 ( 0.000 -3.263 0.172) 3.268 2.390 ( 0.000 -5.233 0.617) 5.269 2.432 ( 0.000 2.347 -4.371) 4.961 2.611 ( -0.000 -0.725 0.715) 1.019 2.952 ( -0.000 -5.509 2.097) 5.895 2.994 ( 0.000 -3.531 -1.193) 3.727 3.321 ( 0.000 -2.556 0.036) 2.556 3.355 ( -0.000 2.372 5.662) 6.139 3.673 ( 0.000 7.237 -2.256) 7.581 3.928 ( 0.000 1.451 -3.887) 4.149 4.216 ( 0.000 4.156 -1.162) 4.315 4.364 ( -0.000 -0.768 0.777) 1.092 4.420 ( -0.000 -4.054 2.340) 4.681 5.149 ( 0.000 2.540 -0.839) 2.675 5.165 ( -0.000 1.166 0.489) 1.265 6.150 ( -0.000 -6.761 1.410) 6.906 7.539 ( -0.000 -0.142 0.082) 0.163 7.787 ( 0.000 7.137 -3.463) 7.933 8.855 ( -0.000 -5.743 1.810) 6.021 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.847 ( 17.336 6.933 2.545) 18.843 1.150 ( 5.870 6.802 10.278) 13.651 1.534 ( -2.294 2.173 -3.999) 5.097 1.918 ( -3.871 -1.219 0.972) 4.173 2.207 ( -1.533 -5.933 -0.122) 6.129 2.291 ( 1.103 -4.655 0.612) 4.823 2.326 ( -1.206 -2.396 -1.009) 2.866 2.431 ( -1.041 3.904 -2.573) 4.791 2.606 ( -0.888 -0.588 -0.014) 1.065 2.833 ( -4.594 -5.644 1.470) 7.424 3.010 ( 2.374 -2.618 -0.265) 3.544 3.280 ( -1.664 -2.887 0.294) 3.345 3.419 ( -1.311 4.454 8.111) 9.346 3.804 ( 7.178 5.788 -2.292) 9.502 3.918 ( -0.158 1.390 -2.454) 2.825 4.269 ( 2.075 1.462 -2.168) 3.338 4.360 ( -2.100 -2.611 1.808) 3.807 4.361 ( -0.648 0.186 0.255) 0.721 5.149 ( -1.849 1.368 -1.102) 2.550 5.191 ( 0.473 3.503 1.086) 3.697 6.057 ( -2.663 -7.953 1.166) 8.468 7.532 ( -0.491 -0.399 0.044) 0.634 7.876 ( 3.295 7.160 -2.665) 8.320 8.789 ( -1.498 -5.926 1.139) 6.218 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.204 ( 13.584 2.187 6.349) 15.153 1.376 ( 9.163 6.352 -1.805) 11.295 1.495 ( -1.218 1.402 -5.901) 6.187 1.861 ( -2.004 1.156 2.423) 3.350 2.111 ( -1.141 -6.466 -1.401) 6.714 2.266 ( -0.221 -0.367 -1.363) 1.429 2.300 ( -0.690 -0.990 0.164) 1.217 2.446 ( 1.392 -0.196 -2.137) 2.558 2.569 ( -3.057 1.767 -0.116) 3.533 2.725 ( -2.121 -4.636 1.319) 5.266 2.995 ( -1.897 -1.361 -0.618) 2.415 3.215 ( -1.793 -3.727 0.852) 4.223 3.454 ( -3.107 2.444 6.597) 7.691 3.950 ( 0.657 4.554 1.457) 4.826 3.964 ( 4.907 3.560 -1.389) 6.219 4.197 ( -3.051 -6.314 0.324) 7.020 4.343 ( -0.032 -1.222 0.431) 1.296 4.425 ( 4.514 5.150 -3.155) 7.540 5.108 ( -2.499 -0.755 -0.701) 2.703 5.266 ( 1.908 5.949 1.262) 6.373 5.914 ( -4.624 -8.062 0.772) 9.326 7.516 ( -0.434 -0.888 0.006) 0.989 8.010 ( 4.539 7.222 -1.827) 8.723 8.696 ( -2.471 -6.019 0.438) 6.521 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.387 ( -3.047 9.164 -1.397) 9.758 1.450 ( 5.130 -8.010 -4.332) 10.452 1.575 ( 11.077 0.604 -3.583) 11.658 1.906 ( 1.456 2.665 2.189) 3.743 2.066 ( 2.076 -1.764 2.313) 3.573 2.215 ( -4.409 -1.901 -2.161) 5.265 2.299 ( 1.288 1.409 0.442) 1.959 2.427 ( -2.218 -1.157 -2.095) 3.263 2.580 ( 3.268 -0.615 2.150) 3.960 2.695 ( 0.815 1.784 -1.390) 2.404 2.903 ( -7.259 0.219 -0.622) 7.289 3.165 ( 0.458 -4.536 1.139) 4.699 3.429 ( -3.930 0.111 4.476) 5.957 3.983 ( -3.475 1.232 -0.486) 3.719 4.021 ( 0.389 3.564 3.258) 4.845 4.151 ( 4.177 -4.407 -2.720) 6.653 4.335 ( -1.612 3.210 -0.427) 3.617 4.533 ( 3.220 2.217 -0.181) 3.914 5.050 ( -0.450 -4.117 -0.054) 4.141 5.384 ( 3.047 6.833 0.730) 7.517 5.751 ( -5.375 -6.376 0.360) 8.347 7.501 ( 0.038 -1.220 -0.038) 1.221 8.153 ( 3.745 7.136 -0.980) 8.118 8.590 ( -2.323 -5.981 -0.248) 6.421 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.261 ( -6.268 -6.367 -4.083) 9.823 1.525 ( 2.710 6.055 -3.123) 7.332 1.729 ( 6.988 1.230 -5.261) 8.833 1.929 ( -1.455 0.764 0.628) 1.759 2.088 ( -4.386 -3.306 0.419) 5.508 2.170 ( 7.400 -2.938 5.310) 9.570 2.349 ( -0.615 2.118 -0.691) 2.311 2.367 ( -0.722 3.000 -0.549) 3.134 2.607 ( -0.425 -1.972 -3.221) 3.801 2.742 ( -2.299 -1.563 0.223) 2.789 2.818 ( 0.724 6.889 1.649) 7.121 3.145 ( 1.886 -4.486 0.472) 4.889 3.375 ( -3.640 -0.929 3.705) 5.276 3.964 ( 0.262 2.822 -0.683) 2.915 4.042 ( -1.236 -0.401 1.903) 2.304 4.155 ( 2.749 -4.901 -3.581) 6.663 4.350 ( -2.891 7.472 -1.317) 8.119 4.551 ( -2.957 -0.468 3.322) 4.472 5.036 ( 4.589 -5.523 0.220) 7.184 5.468 ( -2.679 2.599 0.582) 3.777 5.649 ( 1.126 -0.671 -0.198) 1.326 7.495 ( 0.641 -1.107 -0.062) 1.281 8.245 ( -1.519 5.202 -0.221) 5.424 8.519 ( 1.840 -4.193 -0.845) 4.656 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.059 ( -8.596 -3.772 0.334) 9.393 1.584 ( -4.942 8.497 -2.480) 10.138 1.733 ( -1.469 -4.385 -4.052) 6.149 1.900 ( -2.684 -0.684 0.372) 2.795 2.054 ( 4.454 0.308 -1.176) 4.617 2.265 ( 3.778 -2.611 1.401) 4.801 2.378 ( 2.485 1.522 -1.653) 3.350 2.419 ( -0.676 7.782 -0.957) 7.870 2.525 ( -2.204 -1.350 -0.470) 2.627 2.681 ( -1.295 -4.306 1.753) 4.826 2.943 ( 3.191 3.661 1.558) 5.100 3.149 ( 3.337 -3.020 -0.628) 4.545 3.325 ( -2.693 -1.486 3.829) 4.912 4.003 ( -1.584 -0.607 0.355) 1.734 4.042 ( 2.420 4.236 0.352) 4.891 4.112 ( 0.611 -4.818 -2.986) 5.701 4.351 ( -3.130 5.001 -2.427) 6.380 4.491 ( -3.838 -1.779 4.045) 5.853 5.083 ( 4.903 -3.143 0.291) 5.832 5.361 ( -8.043 -0.539 0.882) 8.109 5.757 ( 7.586 1.772 -0.424) 7.802 7.501 ( 1.017 -0.573 -0.043) 1.168 8.190 ( -6.644 0.904 -0.540) 6.727 8.574 ( 5.808 -0.073 -0.397) 5.822 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.930 ( -9.332 7.179 8.100) 14.291 1.452 ( -13.796 3.915 -2.182) 14.506 1.650 ( -3.515 -1.280 -3.913) 5.413 1.833 ( -2.300 -2.055 0.983) 3.238 2.179 ( 6.936 2.366 -2.516) 7.749 2.289 ( 0.432 -0.150 -0.532) 0.701 2.365 ( -1.562 3.737 -3.389) 5.281 2.467 ( -2.148 -5.394 0.586) 5.836 2.539 ( 2.490 -0.367 1.997) 3.213 2.661 ( 4.812 0.185 2.264) 5.322 3.000 ( 1.887 -0.612 0.277) 2.003 3.200 ( 4.294 -0.619 -0.429) 4.359 3.290 ( -1.497 -1.523 3.319) 3.947 3.975 ( -0.778 -0.765 -1.547) 1.893 4.031 ( -2.519 1.159 -2.408) 3.673 4.173 ( 5.381 1.743 0.850) 5.720 4.333 ( -1.559 1.437 -0.563) 2.194 4.414 ( -5.599 -1.288 3.192) 6.572 5.129 ( 2.528 -1.095 -0.504) 2.801 5.225 ( -6.677 -0.863 1.104) 6.823 5.907 ( 8.375 -0.053 -0.205) 8.378 7.516 ( 0.934 0.042 0.004) 0.935 8.064 ( -7.216 0.160 -1.310) 7.336 8.681 ( 5.558 0.590 0.429) 5.605 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.789 ( -0.000 11.683 -0.171) 11.684 1.221 ( -0.000 6.060 10.650) 12.254 1.553 ( 0.000 1.857 -5.734) 6.027 1.950 ( 0.000 0.726 -0.774) 1.061 2.189 ( -0.000 -5.984 2.626) 6.535 2.191 ( -0.000 -8.760 2.221) 9.037 2.307 ( 0.000 -1.797 -0.945) 2.030 2.442 ( 0.000 1.233 -4.228) 4.405 2.614 ( -0.000 -0.269 2.064) 2.081 2.873 ( -0.000 -4.692 1.235) 4.852 2.912 ( 0.000 -2.531 -3.011) 3.934 3.271 ( 0.000 -2.396 0.262) 2.410 3.515 ( -0.000 3.019 7.457) 8.045 3.794 ( 0.000 7.355 -3.413) 8.108 3.939 ( -0.000 3.810 0.852) 3.904 4.232 ( 0.000 -2.560 -2.560) 3.620 4.348 ( -0.000 -5.834 3.704) 6.911 4.399 ( 0.000 6.141 -2.073) 6.482 5.196 ( 0.000 2.899 -1.081) 3.093 5.208 ( -0.000 2.798 0.277) 2.812 5.995 ( 0.000 -9.586 1.044) 9.642 7.535 ( 0.000 -0.259 0.015) 0.260 7.910 ( 0.000 7.591 -2.072) 7.869 8.744 ( 0.000 -6.402 0.937) 6.471 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.012 ( 11.397 6.950 1.425) 13.425 1.340 ( 2.320 4.229 3.301) 5.845 1.533 ( -1.427 2.421 -3.811) 4.735 1.934 ( -3.222 1.665 1.384) 3.882 2.067 ( -1.471 -5.475 0.132) 5.671 2.214 ( 4.165 -4.184 1.375) 6.062 2.298 ( 0.499 -0.277 0.911) 1.075 2.419 ( -1.111 -0.393 -3.459) 3.654 2.622 ( -0.453 1.234 1.233) 1.803 2.746 ( -5.203 -4.086 -0.274) 6.621 2.940 ( 3.808 -3.102 -1.938) 5.280 3.229 ( -2.320 -2.378 0.554) 3.368 3.538 ( -1.978 0.005 3.795) 4.280 3.894 ( 4.557 5.213 -2.301) 7.296 3.999 ( 0.793 3.272 2.739) 4.340 4.185 ( -1.221 -4.813 -0.570) 4.998 4.307 ( 1.446 -3.522 2.379) 4.489 4.455 ( -0.997 8.337 -2.629) 8.799 5.164 ( -3.929 1.252 -1.174) 4.288 5.286 ( 2.754 5.020 0.215) 5.730 5.881 ( -1.827 -10.087 0.784) 10.281 7.523 ( -0.896 -0.419 0.012) 0.989 8.007 ( 3.131 7.392 -1.390) 8.147 8.670 ( -1.431 -6.328 0.637) 6.519 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.263 ( 9.551 -0.285 2.497) 9.876 1.406 ( 3.903 0.539 -4.790) 6.202 1.509 ( -2.047 2.045 0.710) 2.980 1.925 ( 0.260 1.671 1.428) 2.213 2.049 ( 0.444 1.273 0.922) 1.633 2.264 ( 1.442 1.932 -1.756) 2.983 2.298 ( -1.738 -0.211 1.446) 2.271 2.386 ( 2.146 -1.556 -2.336) 3.534 2.596 ( -4.758 -2.100 2.322) 5.695 2.677 ( 1.804 0.866 -0.946) 2.213 2.949 ( 1.116 -1.730 -2.186) 3.003 3.151 ( -3.474 -3.241 1.262) 4.916 3.499 ( -2.977 -1.117 1.760) 3.635 3.997 ( 4.485 -0.843 -0.983) 4.668 4.025 ( -0.177 -1.754 1.450) 2.283 4.093 ( -3.601 -1.456 1.448) 4.146 4.396 ( 6.110 3.807 1.526) 7.359 4.496 ( -1.258 6.197 -3.089) 7.038 5.073 ( -5.486 -1.928 -0.652) 5.852 5.399 ( 3.185 6.235 0.234) 7.005 5.747 ( -2.633 -8.516 0.475) 8.926 7.500 ( -0.961 -0.644 0.008) 1.157 8.146 ( 4.687 6.990 -0.779) 8.452 8.573 ( -2.676 -6.020 0.311) 6.595 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.289 ( -3.295 -2.532 0.686) 4.212 1.455 ( 6.307 1.397 -7.086) 9.589 1.627 ( 7.452 3.551 3.808) 9.091 1.951 ( 0.043 0.629 0.301) 0.699 2.088 ( 2.019 -0.353 2.257) 3.049 2.166 ( -7.311 -0.702 -1.857) 7.576 2.369 ( 2.262 3.355 0.431) 4.069 2.398 ( -0.701 0.633 -0.982) 1.362 2.531 ( 1.671 -3.965 0.800) 4.376 2.742 ( 2.263 2.069 -0.183) 3.072 2.926 ( -2.943 3.474 -1.472) 4.785 3.072 ( -0.567 -5.433 1.166) 5.585 3.435 ( -3.302 -1.665 1.023) 3.837 3.990 ( -0.326 0.320 0.116) 0.471 4.025 ( 1.325 -2.745 -0.719) 3.131 4.078 ( 0.446 -0.503 0.682) 0.957 4.491 ( -3.833 5.866 -0.026) 7.007 4.557 ( 4.689 1.663 -0.091) 4.976 4.950 ( -2.772 -4.366 -0.067) 5.172 5.515 ( 2.343 5.681 0.191) 6.148 5.629 ( -2.346 -5.750 0.036) 6.210 7.482 ( -0.260 -0.530 -0.010) 0.591 8.295 ( 4.006 7.031 -0.241) 8.095 8.461 ( -2.715 -6.165 -0.060) 6.737 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.217 ( -6.447 4.715 5.140) 9.499 1.568 ( 7.697 0.235 -7.229) 10.562 1.763 ( 0.016 5.354 -1.028) 5.452 1.937 ( -1.627 -0.533 0.191) 1.722 2.030 ( -4.341 -1.952 0.994) 4.862 2.141 ( 5.841 -3.721 1.539) 7.095 2.354 ( -1.335 0.499 -0.099) 1.429 2.436 ( 2.336 -1.965 -0.292) 3.066 2.568 ( 0.928 4.677 -2.577) 5.420 2.723 ( -4.385 -0.921 1.436) 4.705 2.943 ( 0.037 1.117 2.314) 2.570 3.051 ( 3.600 -1.970 -1.852) 4.502 3.367 ( -2.702 -2.167 1.347) 3.717 4.007 ( 0.658 -1.259 -1.095) 1.794 4.043 ( 0.654 2.083 1.067) 2.430 4.070 ( 0.921 0.878 -0.773) 1.489 4.457 ( -4.300 1.985 -1.226) 4.892 4.546 ( -3.828 -3.648 2.389) 5.802 4.961 ( 5.583 0.055 -0.233) 5.588 5.493 ( -6.580 -0.374 0.657) 6.623 5.644 ( 5.806 0.151 -0.663) 5.845 7.483 ( 0.620 0.041 -0.009) 0.622 8.313 ( -6.495 -0.128 -0.299) 6.503 8.463 ( 6.616 0.822 0.004) 6.667 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.215 ( -7.177 10.282 8.967) 15.415 1.585 ( -0.413 -4.888 -2.848) 5.672 1.724 ( -7.165 7.756 -3.805) 11.223 1.889 ( -3.786 0.071 -0.440) 3.812 2.058 ( 6.571 1.422 -1.571) 6.904 2.231 ( 6.158 -1.699 0.379) 6.399 2.346 ( 0.618 -1.255 -2.699) 3.040 2.443 ( 2.750 -4.251 0.229) 5.068 2.561 ( -6.336 3.823 -0.124) 7.401 2.677 ( -1.284 1.441 2.394) 3.075 2.931 ( 2.491 -6.183 -0.224) 6.670 3.128 ( 3.987 2.144 -0.249) 4.534 3.313 ( -1.740 -2.706 2.483) 4.063 3.984 ( -2.564 -1.360 -0.384) 2.927 4.012 ( 1.425 -2.933 -1.313) 3.516 4.182 ( 1.963 8.301 0.917) 8.579 4.373 ( -3.664 -0.094 -2.583) 4.484 4.473 ( -1.727 -3.836 4.014) 5.814 5.065 ( 4.205 1.860 -0.775) 4.663 5.359 ( -8.251 -0.381 0.701) 8.290 5.753 ( 7.624 -1.724 -0.480) 7.831 7.502 ( 1.021 0.661 0.008) 1.216 8.184 ( -6.806 -0.688 -0.863) 6.895 8.588 ( 5.837 1.228 0.398) 5.978 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.000 ( -0.000 9.167 -0.993) 9.220 1.383 ( -0.000 4.086 0.765) 4.157 1.556 ( -0.000 1.143 2.297) 2.565 1.997 ( -0.000 -1.766 1.224) 2.149 2.048 ( 0.000 -0.769 -0.641) 1.001 2.094 ( -0.000 -6.152 3.671) 7.164 2.297 ( -0.000 -0.000 1.713) 1.713 2.423 ( 0.000 0.942 -3.233) 3.368 2.631 ( -0.000 -0.538 2.141) 2.207 2.783 ( 0.000 -4.308 0.181) 4.312 2.840 ( 0.000 -0.579 -4.191) 4.231 3.235 ( -0.000 -1.456 0.412) 1.513 3.562 ( -0.000 -1.196 1.423) 1.859 3.903 ( 0.000 7.039 -4.008) 8.100 4.007 ( -0.000 -2.252 1.287) 2.594 4.158 ( 0.000 0.477 -1.762) 1.825 4.262 ( -0.000 -6.677 4.867) 8.263 4.548 ( -0.000 8.066 -0.477) 8.080 5.238 ( 0.000 2.139 -1.088) 2.400 5.289 ( 0.000 5.768 -0.926) 5.842 5.791 ( 0.000 -10.883 0.758) 10.909 7.530 ( 0.000 -0.203 0.019) 0.204 8.043 ( -0.000 6.443 -0.770) 6.489 8.625 ( 0.000 -5.555 0.738) 5.604 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.141 ( 6.903 4.276 0.585) 8.141 1.399 ( -2.205 2.830 -1.014) 3.728 1.554 ( -2.093 -2.096 4.932) 5.752 1.934 ( -0.299 -1.057 0.367) 1.158 2.072 ( 0.086 2.336 0.061) 2.338 2.157 ( 8.015 -2.599 2.312) 8.737 2.314 ( 0.859 -0.599 1.900) 2.169 2.392 ( -2.986 1.153 -2.800) 4.253 2.644 ( 0.705 -1.463 -0.434) 1.681 2.687 ( -4.508 -0.363 1.581) 4.791 2.867 ( 3.369 -0.485 -3.189) 4.664 3.198 ( -2.905 -1.170 0.695) 3.208 3.532 ( -1.869 -1.346 -0.521) 2.361 3.937 ( -0.109 0.370 -1.624) 1.670 4.020 ( 2.134 1.641 0.816) 2.813 4.138 ( -2.676 -2.222 0.785) 3.566 4.271 ( 6.395 -1.761 -0.185) 6.636 4.597 ( -1.662 4.577 -0.019) 4.870 5.177 ( -6.446 1.202 -1.114) 6.651 5.398 ( 3.719 5.712 -0.595) 6.842 5.686 ( -0.524 -8.418 0.725) 8.465 7.517 ( -1.168 -0.175 0.041) 1.181 8.128 ( 3.397 4.457 -0.246) 5.609 8.565 ( -1.788 -3.786 0.715) 4.248 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.255 ( 4.303 -3.900 -1.613) 6.027 1.402 ( 0.493 5.385 0.841) 5.472 1.568 ( 3.118 0.393 6.248) 6.994 1.944 ( 0.844 -0.481 -0.233) 0.999 2.083 ( -0.475 -0.618 0.302) 0.836 2.283 ( -4.258 0.419 -1.390) 4.499 2.322 ( 8.155 0.583 1.404) 8.296 2.353 ( 0.416 0.762 -1.019) 1.339 2.554 ( -5.310 -1.712 0.452) 5.598 2.710 ( 2.517 -0.084 1.335) 2.851 2.916 ( 3.077 2.513 -3.111) 5.046 3.119 ( -5.302 -1.176 1.450) 5.621 3.470 ( -2.769 -1.695 -1.728) 3.678 3.947 ( 1.837 0.993 0.306) 2.110 4.059 ( -3.119 -0.177 1.644) 3.530 4.067 ( 0.515 -1.215 0.493) 1.409 4.401 ( 8.935 -1.207 -3.728) 9.757 4.592 ( -1.593 0.841 0.732) 1.945 5.045 ( -8.333 0.645 -0.348) 8.365 5.493 ( 3.454 -0.220 -0.725) 3.536 5.627 ( -1.288 -0.168 0.842) 1.547 7.493 ( -1.198 0.001 0.037) 1.199 8.238 ( 5.647 0.810 0.154) 5.707 8.497 ( -3.737 -0.326 0.496) 3.784 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.305 ( 7.572 0.575 -5.022) 9.104 1.469 ( -2.390 5.335 4.254) 7.230 1.715 ( 8.253 0.256 5.321) 9.823 1.941 ( 0.144 -1.509 -0.322) 1.550 2.046 ( 0.065 -3.984 -1.047) 4.120 2.166 ( -8.191 2.639 -1.560) 8.746 2.356 ( 1.601 -1.710 -0.463) 2.388 2.427 ( -3.800 0.279 0.885) 3.912 2.535 ( 6.355 2.542 1.647) 7.040 2.738 ( 1.312 -1.927 -0.651) 2.421 2.976 ( -0.906 -2.314 -0.925) 2.652 3.025 ( -2.576 4.454 0.579) 5.178 3.391 ( -2.681 -2.303 -1.726) 3.933 3.995 ( -0.755 -0.135 0.587) 0.966 4.054 ( 3.323 5.187 0.644) 6.194 4.058 ( -0.569 -2.065 -0.260) 2.158 4.455 ( 2.283 -4.759 -0.918) 5.358 4.570 ( -1.655 -3.085 -0.677) 3.565 4.956 ( -2.688 4.644 0.311) 5.375 5.504 ( 2.533 -6.009 -0.673) 6.555 5.634 ( -2.412 5.339 0.597) 5.889 7.482 ( -0.248 0.562 0.015) 0.615 8.307 ( 3.361 -6.140 0.451) 7.014 8.463 ( -2.220 6.401 0.029) 6.775 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.420 ( -3.591 -6.220 -0.000) 7.182 1.492 ( 6.583 11.402 -0.000) 13.166 1.852 ( 1.874 3.246 -0.000) 3.748 1.913 ( -0.957 -1.657 -0.000) 1.913 2.061 ( 1.713 2.966 -0.000) 3.425 2.071 ( -0.205 -0.355 -0.000) 0.410 2.358 ( -1.143 -1.980 -0.000) 2.286 2.370 ( -0.129 -0.223 -0.000) 0.257 2.674 ( 2.776 4.808 -0.000) 5.552 2.718 ( -0.765 -1.324 -0.000) 1.529 2.829 ( -5.112 -8.854 -0.000) 10.223 3.105 ( 2.503 4.336 -0.000) 5.007 3.320 ( -1.701 -2.946 -0.000) 3.402 3.976 ( -1.049 -1.817 -0.000) 2.098 4.006 ( -1.232 -2.133 -0.000) 2.463 4.212 ( 4.796 8.306 0.000) 9.592 4.427 ( -1.691 -2.929 -0.000) 3.382 4.450 ( -3.104 -5.376 -0.000) 6.208 5.032 ( 3.136 5.432 -0.000) 6.273 5.463 ( -1.914 -3.314 -0.000) 3.827 5.645 ( 0.481 0.833 -0.000) 0.962 7.496 ( 0.666 1.153 -0.000) 1.331 8.248 ( -2.509 -4.346 -0.000) 5.019 8.534 ( 2.525 4.374 -0.000) 5.051 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.121 ( -0.000 2.344 0.736) 2.457 1.469 ( -0.000 2.465 0.945) 2.640 1.580 ( -0.000 -3.350 7.102) 7.853 1.920 ( 0.000 -0.513 -0.372) 0.633 2.025 ( -0.000 -3.282 2.609) 4.193 2.108 ( -0.000 0.904 0.108) 0.910 2.300 ( -0.000 -1.861 1.319) 2.281 2.428 ( 0.000 2.479 -2.049) 3.216 2.615 ( 0.000 -2.027 -0.235) 2.040 2.742 ( -0.000 0.321 1.258) 1.299 2.831 ( 0.000 3.070 -2.453) 3.929 3.221 ( -0.000 -0.296 0.355) 0.462 3.527 ( 0.000 -1.637 -2.584) 3.059 3.984 ( -0.000 0.663 2.645) 2.727 4.000 ( 0.000 6.263 -4.117) 7.495 4.142 ( 0.000 -0.412 -4.199) 4.219 4.178 ( -0.000 -6.452 5.641) 8.570 4.627 ( 0.000 -0.440 -1.199) 1.277 5.256 ( 0.000 0.586 -0.956) 1.121 5.391 ( 0.000 1.138 -0.691) 1.331 5.637 ( -0.000 -0.836 0.741) 1.117 7.528 ( -0.000 0.001 0.070) 0.070 8.124 ( -0.000 0.792 0.360) 0.870 8.564 ( -0.000 -0.473 0.846) 0.969 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.145 ( 1.538 -5.453 0.831) 5.726 1.428 ( 0.587 -2.338 1.174) 2.681 1.612 ( -0.931 3.227 8.151) 8.816 1.921 ( 0.043 -0.453 -0.672) 0.812 2.077 ( 0.339 -1.852 0.040) 1.883 2.147 ( 9.472 -0.507 1.887) 9.671 2.294 ( 0.334 -1.000 0.774) 1.308 2.421 ( -3.095 3.405 -0.870) 4.683 2.594 ( -0.383 -1.451 -2.507) 2.922 2.719 ( -3.073 0.962 2.356) 3.990 2.891 ( 2.670 4.397 -1.649) 5.402 3.195 ( -3.013 0.286 0.546) 3.075 3.476 ( -1.594 -2.021 -4.550) 5.227 3.975 ( -1.531 3.887 0.517) 4.210 4.042 ( 0.191 -2.602 0.400) 2.640 4.118 ( -2.183 0.214 2.060) 3.009 4.220 ( 7.945 -0.742 -1.984) 8.222 4.590 ( -0.561 -3.628 -1.713) 4.051 5.187 ( -6.231 0.287 -0.505) 6.258 5.395 ( 3.043 -5.831 -0.868) 6.634 5.684 ( -0.222 7.640 0.629) 7.669 7.517 ( -1.180 0.162 0.073) 1.193 8.147 ( 3.337 -2.951 0.850) 4.535 8.564 ( -1.792 2.959 0.642) 3.518 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.106 ( 5.839 -5.883 -5.603) 10.004 1.535 ( 8.748 0.327 4.055) 9.648 1.648 ( -2.116 -0.051 6.911) 7.228 1.905 ( 0.348 -2.894 -0.300) 2.931 2.042 ( -1.530 0.491 0.467) 1.673 2.275 ( -1.702 0.387 -0.095) 1.748 2.336 ( 4.462 -0.457 3.096) 5.450 2.420 ( 2.216 4.770 -0.286) 5.268 2.534 ( -4.063 0.080 -1.423) 4.305 2.694 ( -0.244 -1.750 -0.060) 1.768 2.969 ( 1.502 3.219 -1.519) 3.863 3.135 ( -4.724 1.861 0.785) 5.138 3.393 ( -2.088 -2.738 -4.877) 5.970 4.005 ( -0.097 -2.228 -0.051) 2.231 4.039 ( 3.236 3.599 0.842) 4.913 4.077 ( -3.297 -0.157 1.425) 3.596 4.337 ( 5.464 -1.329 -0.496) 5.645 4.536 ( 0.273 -4.234 -1.832) 4.622 5.084 ( -5.798 2.413 0.070) 6.280 5.377 ( 3.179 -7.049 -1.137) 7.816 5.748 ( -2.341 7.750 0.585) 8.117 7.500 ( -0.968 0.622 0.037) 1.151 8.177 ( 4.314 -5.793 1.080) 7.303 8.570 ( -2.556 5.524 0.140) 6.088 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.096 ( -0.000 -7.282 4.589) 8.607 1.329 ( 0.000 -13.093 0.986) 13.130 1.686 ( -0.000 0.637 7.158) 7.186 1.958 ( 0.000 3.769 -1.921) 4.230 2.028 ( -0.000 2.588 -0.259) 2.601 2.072 ( -0.000 -1.568 1.402) 2.104 2.301 ( -0.000 1.075 1.620) 1.945 2.485 ( -0.000 3.602 0.660) 3.662 2.562 ( 0.000 -1.402 -2.600) 2.954 2.791 ( -0.000 2.294 0.515) 2.351 2.897 ( -0.000 4.075 -0.119) 4.076 3.230 ( -0.000 1.046 0.179) 1.061 3.434 ( 0.000 -3.125 -7.128) 7.783 4.008 ( -0.000 -2.872 1.420) 3.204 4.031 ( -0.000 -3.527 1.577) 3.863 4.151 ( -0.000 5.630 0.308) 5.638 4.156 ( -0.000 2.685 0.465) 2.725 4.535 ( 0.000 -5.420 -2.723) 6.065 5.243 ( 0.000 -1.044 -0.808) 1.320 5.286 ( 0.000 -6.680 -1.162) 6.780 5.783 ( -0.000 10.155 0.312) 10.160 7.531 ( -0.000 0.163 0.077) 0.180 8.081 ( -0.000 -5.010 1.424) 5.209 8.621 ( -0.000 4.557 0.524) 4.587 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.966 ( -2.135 -11.437 0.035) 11.635 1.325 ( 10.913 -9.887 3.556) 15.149 1.687 ( -0.812 -3.832 4.055) 5.638 1.906 ( -3.424 -1.260 -1.597) 3.982 2.103 ( -0.321 5.964 2.940) 6.657 2.185 ( 9.628 2.703 0.255) 10.003 2.315 ( -0.849 1.479 1.129) 2.045 2.500 ( -2.348 3.236 1.517) 4.276 2.548 ( 0.490 -0.058 -3.298) 3.334 2.748 ( -5.594 0.520 -0.382) 5.631 2.967 ( 2.109 3.496 -0.386) 4.101 3.222 ( -2.544 2.004 0.239) 3.247 3.355 ( -0.662 -3.536 -6.845) 7.732 3.988 ( -0.331 -1.873 1.510) 2.429 4.002 ( 1.476 -4.156 3.554) 5.664 4.165 ( -2.658 4.813 -0.198) 5.502 4.261 ( 4.249 3.298 0.077) 5.379 4.466 ( 0.424 -5.818 -2.684) 6.421 5.176 ( -3.359 -0.788 -0.505) 3.487 5.254 ( 2.069 -5.654 -1.666) 6.247 5.873 ( -1.546 9.181 0.195) 9.312 7.524 ( -0.914 0.348 0.045) 0.979 8.059 ( 2.829 -6.053 1.632) 6.878 8.661 ( -1.381 5.272 0.131) 5.452 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.934 ( -0.000 -14.215 8.158) 16.390 1.037 ( 0.000 -16.490 1.918) 16.602 1.657 ( 0.000 -6.188 0.473) 6.206 1.928 ( 0.000 -2.991 -3.059) 4.278 2.115 ( 0.000 6.545 -2.076) 6.867 2.192 ( -0.000 7.331 2.281) 7.678 2.345 ( -0.000 1.132 0.606) 1.284 2.520 ( 0.000 0.421 -3.593) 3.618 2.560 ( -0.000 1.289 2.654) 2.950 2.827 ( 0.000 2.928 -1.149) 3.145 2.976 ( -0.000 3.049 0.959) 3.196 3.267 ( -0.000 2.384 0.035) 2.384 3.296 ( 0.000 -2.256 -5.324) 5.783 3.932 ( -0.000 -8.368 4.632) 9.565 4.014 ( -0.000 1.434 4.694) 4.908 4.242 ( 0.000 0.582 -0.544) 0.797 4.245 ( 0.000 6.102 -2.308) 6.523 4.388 ( 0.000 -5.574 -2.927) 6.296 5.165 ( 0.000 -2.973 -2.232) 3.718 5.203 ( 0.000 -2.015 -0.669) 2.123 5.980 ( -0.000 8.705 -0.083) 8.706 7.535 ( -0.000 0.151 0.016) 0.152 7.980 ( -0.000 -6.114 1.939) 6.414 8.725 ( -0.000 4.941 -0.056) 4.942 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.564 ( -0.000 -0.000 17.709) 17.709 0.564 ( -0.000 -0.000 17.709) 17.709 1.055 ( -0.000 -0.000 32.635) 32.635 2.141 ( 0.000 0.000 -0.535) 0.535 2.338 ( -0.000 -0.000 0.060) 0.060 2.338 ( -0.000 -0.000 0.060) 0.060 2.520 ( 0.000 0.000 -7.161) 7.161 2.520 ( 0.000 0.000 -7.161) 7.161 2.725 ( -0.000 -0.000 2.172) 2.172 3.128 ( -0.000 -0.000 0.539) 0.539 3.128 ( -0.000 -0.000 0.539) 0.539 3.389 ( -0.000 -0.000 0.012) 0.012 3.575 ( 0.000 -0.000 3.951) 3.951 3.575 ( 0.000 -0.000 3.951) 3.951 3.619 ( 0.000 0.000 -12.644) 12.644 4.215 ( 0.000 0.000 -0.682) 0.682 4.448 ( 0.000 0.000 -1.134) 1.134 4.448 ( 0.000 0.000 -1.134) 1.134 5.100 ( 0.000 0.000 -0.308) 0.308 5.100 ( 0.000 0.000 -0.308) 0.308 6.291 ( -0.000 -0.000 2.123) 2.123 7.539 ( -0.000 -0.000 0.163) 0.163 7.539 ( -0.000 -0.000 0.163) 0.163 9.042 ( 0.000 0.000 -0.056) 0.056 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.593 ( 9.161 5.289 11.069) 15.311 0.898 ( 10.000 5.774 12.024) 16.671 1.295 ( 6.171 3.563 25.595) 26.568 2.077 ( -5.530 -3.193 0.605) 6.414 2.275 ( -4.954 -2.860 -2.257) 6.149 2.321 ( -1.704 -0.984 0.034) 1.968 2.394 ( -1.505 -0.869 -3.950) 4.315 2.512 ( -6.491 -3.748 2.438) 7.882 2.665 ( -0.894 -0.516 -5.645) 5.739 3.073 ( -3.951 -2.281 1.007) 4.672 3.111 ( -1.606 -0.927 0.577) 1.942 3.357 ( -3.905 -2.255 -0.929) 4.604 3.369 ( -1.558 -0.899 0.020) 1.799 3.709 ( 5.563 3.212 -0.243) 6.428 3.744 ( 6.585 3.802 2.072) 7.882 4.176 ( 0.056 0.032 -1.009) 1.011 4.383 ( -2.411 -1.392 -0.305) 2.801 4.471 ( -1.310 -0.757 -1.317) 2.006 5.103 ( 0.356 0.205 -0.629) 0.751 5.109 ( 0.174 0.101 0.214) 0.294 6.259 ( -3.414 -1.971 2.135) 4.483 7.539 ( -0.043 -0.025 0.144) 0.153 7.646 ( 6.691 3.863 -3.221) 8.370 8.973 ( -4.403 -2.542 1.892) 5.425 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.972 ( 17.605 10.164 2.185) 20.446 1.103 ( 3.975 2.295 1.937) 4.982 1.549 ( 6.666 3.849 12.860) 14.988 1.918 ( -6.760 -3.903 2.203) 8.111 2.188 ( -0.668 -0.386 2.463) 2.581 2.279 ( -1.394 -0.805 -0.487) 1.682 2.367 ( -0.439 -0.253 -1.761) 1.832 2.375 ( -5.420 -3.129 1.609) 6.462 2.595 ( -2.877 -1.661 -5.640) 6.546 2.980 ( -4.483 -2.588 1.174) 5.308 3.057 ( -3.372 -1.947 -0.244) 3.902 3.323 ( -1.192 -0.688 4.661) 4.860 3.324 ( -2.152 -1.243 0.051) 2.486 3.848 ( 2.132 1.231 -3.062) 3.929 3.879 ( 8.002 4.620 -1.811) 9.416 4.221 ( 4.524 2.612 -3.302) 6.180 4.369 ( 0.792 0.457 3.284) 3.409 4.385 ( -4.946 -2.855 0.516) 5.734 5.109 ( 0.566 0.327 -0.966) 1.166 5.115 ( 0.200 0.115 1.100) 1.124 6.156 ( -6.104 -3.524 1.691) 7.248 7.538 ( -0.082 -0.048 0.084) 0.127 7.785 ( 6.593 3.806 -3.144) 8.236 8.878 ( -4.486 -2.590 1.450) 5.379 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.121 ( -0.406 -0.234 -5.136) 5.157 1.362 ( 14.084 8.131 -0.975) 16.292 1.686 ( 4.035 2.329 -5.648) 7.321 1.883 ( 1.720 0.993 8.905) 9.124 2.231 ( -4.144 -2.392 -2.227) 5.277 2.276 ( -1.616 -0.933 0.009) 1.867 2.282 ( 5.481 3.164 6.760) 9.260 2.345 ( -0.719 -0.415 -0.567) 1.006 2.496 ( -3.492 -2.016 -2.665) 4.834 2.875 ( -4.635 -2.676 0.870) 5.423 2.938 ( -6.375 -3.681 -1.810) 7.581 3.279 ( -1.549 -0.895 0.127) 1.794 3.331 ( -0.893 -0.516 8.103) 8.169 3.843 ( -0.035 -0.020 -3.872) 3.872 3.994 ( 1.974 1.140 -1.331) 2.640 4.235 ( -3.128 -1.806 -2.482) 4.383 4.398 ( 6.798 3.925 -0.418) 7.861 4.421 ( 1.306 0.754 2.765) 3.149 5.127 ( 1.309 0.756 -0.322) 1.545 5.141 ( 1.974 1.140 1.497) 2.727 5.993 ( -8.237 -4.755 1.189) 9.585 7.536 ( -0.123 -0.071 -0.003) 0.142 7.927 ( 6.581 3.800 -2.248) 7.925 8.774 ( -4.706 -2.717 0.397) 5.449 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.100 ( 1.433 0.827 -3.945) 4.278 1.579 ( 7.196 4.154 -7.197) 10.992 1.799 ( 7.107 4.103 -5.907) 10.112 1.947 ( -1.875 -1.082 3.434) 4.059 2.118 ( -2.096 -1.210 -1.876) 3.062 2.269 ( 0.380 0.219 1.075) 1.161 2.285 ( -2.559 -1.477 -4.313) 5.228 2.410 ( -3.288 -1.898 -0.489) 3.828 2.493 ( 7.115 4.108 9.055) 12.226 2.759 ( -7.155 -4.131 -2.289) 8.573 2.791 ( -2.266 -1.308 0.245) 2.627 3.251 ( -0.901 -0.520 -0.134) 1.049 3.350 ( -1.437 -0.829 8.999) 9.151 3.843 ( 1.428 0.824 -1.063) 1.962 3.995 ( -0.271 -0.156 0.888) 0.942 4.175 ( -0.581 -0.336 -5.058) 5.102 4.426 ( -1.440 -0.831 -1.209) 2.056 4.521 ( 2.043 1.179 2.743) 3.617 5.167 ( 1.788 1.032 1.108) 2.343 5.244 ( 6.389 3.689 0.528) 7.397 5.793 ( -8.835 -5.101 0.752) 10.229 7.533 ( -0.101 -0.058 -0.083) 0.142 8.062 ( 5.334 3.079 -1.302) 6.295 8.668 ( -4.014 -2.317 -0.645) 4.679 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.151 ( 3.061 1.767 -1.003) 3.674 1.651 ( -1.469 -0.848 -10.197) 10.337 1.811 ( -0.338 -0.195 -7.046) 7.056 1.896 ( -0.791 -0.457 0.708) 1.156 2.108 ( -0.480 -0.277 0.367) 0.665 2.163 ( -5.271 -3.043 -6.245) 8.720 2.330 ( 0.924 0.534 1.872) 2.155 2.352 ( 1.974 1.140 0.986) 2.483 2.579 ( -4.166 -2.405 3.185) 5.770 2.729 ( 6.456 3.727 2.985) 8.030 2.776 ( 0.633 0.366 -0.490) 0.880 3.235 ( -0.354 -0.205 -0.472) 0.625 3.345 ( -2.546 -1.470 8.487) 8.982 3.905 ( 3.542 2.045 2.155) 4.623 4.026 ( 1.645 0.950 2.015) 2.769 4.142 ( 0.700 0.404 -7.019) 7.065 4.344 ( -4.007 -2.313 -4.869) 6.716 4.528 ( -2.451 -1.415 5.318) 6.024 5.210 ( 0.995 0.574 1.872) 2.196 5.371 ( 0.587 0.339 0.363) 0.769 5.651 ( -0.220 -0.127 0.166) 0.304 7.531 ( -0.000 -0.000 -0.118) 0.118 8.139 ( 1.079 0.623 -0.564) 1.367 8.602 ( -0.621 -0.359 -1.408) 1.581 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.159 ( -3.328 -1.922 -3.584) 5.255 1.391 ( -13.118 -7.574 -7.257) 16.796 1.771 ( -3.546 -2.047 -3.701) 5.519 1.935 ( 2.766 1.597 0.892) 3.316 2.046 ( -0.941 -0.543 -2.708) 2.918 2.096 ( 1.208 0.698 -2.022) 2.456 2.324 ( 0.851 0.491 -1.280) 1.613 2.483 ( 5.184 2.993 1.054) 6.078 2.521 ( -1.819 -1.050 3.015) 3.675 2.794 ( 0.737 0.425 0.209) 0.876 2.885 ( 5.153 2.975 1.389) 6.110 3.235 ( 0.691 0.399 -0.410) 0.897 3.321 ( -2.726 -1.574 7.568) 8.196 4.008 ( 2.658 1.534 3.292) 4.501 4.028 ( -1.184 -0.684 -0.760) 1.565 4.183 ( 4.403 2.542 -4.420) 6.737 4.213 ( -3.511 -2.027 -5.903) 7.161 4.478 ( -3.948 -2.280 4.870) 6.671 5.225 ( -0.502 -0.290 1.581) 1.684 5.265 ( -6.417 -3.705 1.539) 7.567 5.788 ( 8.502 4.909 -0.214) 9.820 7.532 ( 0.105 0.061 -0.092) 0.152 8.098 ( -3.813 -2.201 -0.860) 4.486 8.633 ( 3.387 1.956 -1.077) 4.057 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.545 ( -0.000 -5.276 15.651) 16.516 0.931 ( -0.000 6.869 15.350) 16.816 1.433 ( -0.000 6.353 18.535) 19.593 2.084 ( 0.000 -4.739 -0.965) 4.836 2.315 ( 0.000 0.566 -0.988) 1.139 2.329 ( 0.000 -1.372 0.210) 1.388 2.376 ( 0.000 -1.622 -4.945) 5.204 2.562 ( 0.000 4.395 -5.922) 7.375 2.607 ( -0.000 -11.191 3.037) 11.596 3.078 ( -0.000 -5.268 1.283) 5.422 3.086 ( -0.000 -4.388 0.967) 4.493 3.367 ( 0.000 -1.913 0.035) 1.913 3.380 ( -0.000 -3.814 0.766) 3.890 3.573 ( -0.000 1.783 2.206) 2.836 3.823 ( -0.000 7.774 -1.113) 7.853 4.163 ( 0.000 -0.232 -3.563) 3.570 4.394 ( 0.000 -1.792 -0.720) 1.931 4.467 ( 0.000 0.055 -0.108) 0.121 5.107 ( 0.000 1.099 -0.597) 1.251 5.129 ( 0.000 2.368 -0.736) 2.480 6.270 ( -0.000 -4.066 2.331) 4.687 7.541 ( -0.000 -0.039 0.141) 0.147 7.627 ( 0.000 6.690 -2.404) 7.109 8.978 ( -0.000 -5.171 1.484) 5.380 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.756 ( 16.534 3.160 7.354) 18.369 1.098 ( 3.175 4.990 8.980) 10.754 1.535 ( 0.960 -1.504 8.185) 8.377 1.986 ( -4.374 -4.545 0.465) 6.325 2.271 ( -3.882 0.030 -0.801) 3.964 2.315 ( -1.911 3.645 0.654) 4.167 2.345 ( 0.535 -1.740 -1.255) 2.211 2.442 ( -5.538 -6.369 2.426) 8.782 2.587 ( -0.255 0.720 -5.809) 5.859 2.984 ( -2.625 -7.279 1.445) 7.871 3.068 ( 0.218 -2.753 0.803) 2.876 3.334 ( -1.291 -2.224 0.243) 2.583 3.380 ( -0.729 2.507 5.821) 6.380 3.711 ( 9.608 2.239 0.450) 9.875 3.867 ( -0.108 3.237 -3.331) 4.646 4.169 ( 2.330 3.020 -5.476) 6.673 4.378 ( -0.068 -0.320 1.735) 1.765 4.434 ( -3.199 -2.142 0.471) 3.878 5.113 ( -0.489 1.299 -0.943) 1.678 5.139 ( -0.623 2.215 0.280) 2.318 6.202 ( -3.214 -5.525 1.964) 6.687 7.538 ( -0.164 -0.222 0.101) 0.294 7.724 ( 4.180 6.279 -2.705) 8.013 8.908 ( -2.414 -5.028 1.390) 5.748 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.119 ( 9.566 5.322 -0.387) 10.954 1.216 ( 6.131 8.382 -0.406) 10.393 1.551 ( 4.362 -6.715 0.228) 8.011 1.898 ( -1.826 -2.206 5.133) 5.877 2.203 ( -1.632 -3.255 -2.242) 4.276 2.307 ( -3.789 -3.809 0.172) 5.375 2.330 ( 0.424 -1.665 0.235) 1.734 2.372 ( 0.125 6.868 2.859) 7.441 2.533 ( -3.293 0.551 -4.226) 5.385 2.866 ( -2.576 -7.848 0.863) 8.305 3.021 ( -3.809 -1.227 -0.184) 4.006 3.284 ( -1.439 -2.675 0.380) 3.061 3.425 ( -2.353 3.465 8.788) 9.735 3.849 ( 0.070 3.402 -2.790) 4.401 3.921 ( 6.958 1.608 -0.406) 7.153 4.239 ( 2.111 2.646 -5.583) 6.529 4.347 ( -1.033 -0.776 0.240) 1.314 4.395 ( 1.602 -1.868 1.846) 3.076 5.108 ( -0.281 0.221 -0.521) 0.632 5.170 ( 0.334 3.919 1.322) 4.150 6.068 ( -5.842 -6.483 1.401) 8.838 7.532 ( -0.062 -0.612 0.032) 0.616 7.861 ( 5.374 6.211 -2.208) 8.505 8.810 ( -3.455 -4.865 0.615) 5.999 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.162 ( -3.770 9.504 -4.426) 11.142 1.460 ( 6.754 2.685 -4.200) 8.394 1.615 ( 11.755 -2.201 -5.331) 13.094 1.925 ( 2.065 -2.975 7.157) 8.021 2.111 ( -1.527 -3.349 -3.440) 5.039 2.244 ( -0.640 -1.696 -0.174) 1.821 2.313 ( -1.002 -1.115 0.037) 1.500 2.439 ( -1.501 -1.103 -2.454) 3.081 2.510 ( 2.223 6.657 3.753) 7.959 2.750 ( -2.405 -6.263 -0.166) 6.711 2.907 ( -7.640 -0.224 -0.531) 7.661 3.242 ( -0.308 -2.761 0.337) 2.799 3.443 ( -3.202 1.456 7.734) 8.496 3.876 ( -1.304 6.324 -0.484) 6.475 4.003 ( 0.829 0.491 1.609) 1.875 4.172 ( -2.488 -1.278 -3.588) 4.550 4.387 ( 1.276 -4.784 -0.403) 4.967 4.471 ( 6.916 3.625 -1.048) 7.878 5.109 ( 1.615 -1.829 0.497) 2.490 5.250 ( 2.057 6.432 1.328) 6.882 5.887 ( -7.639 -6.503 0.825) 10.066 7.525 ( 0.166 -0.975 -0.049) 0.990 8.010 ( 5.155 6.131 -1.425) 8.136 8.698 ( -3.702 -4.696 -0.310) 5.988 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.190 ( -2.182 8.865 -2.479) 9.460 1.523 ( 5.126 -3.063 -8.653) 10.513 1.718 ( 4.500 -4.140 -5.392) 8.152 1.919 ( -1.160 -0.306 1.460) 1.890 2.102 ( 0.412 0.737 -1.177) 1.449 2.244 ( -0.176 1.490 -1.416) 2.063 2.283 ( 0.856 -1.222 2.464) 2.880 2.371 ( -3.058 -1.252 -1.301) 3.551 2.649 ( -3.701 -3.350 -1.044) 5.100 2.675 ( 5.963 5.266 3.512) 8.696 2.787 ( -3.930 -0.192 0.553) 3.974 3.217 ( 0.438 -2.548 -0.218) 2.594 3.423 ( -3.056 -1.023 6.690) 7.426 3.906 ( -0.358 3.394 0.409) 3.438 4.039 ( 0.491 2.731 3.940) 4.819 4.130 ( -0.645 1.792 -5.743) 6.050 4.329 ( -1.233 -4.749 -2.845) 5.672 4.567 ( 0.511 0.484 2.785) 2.873 5.139 ( 4.408 -3.897 1.098) 5.985 5.375 ( 2.978 6.447 0.668) 7.133 5.699 ( -6.362 -4.185 0.170) 7.617 7.519 ( 0.474 -1.117 -0.103) 1.218 8.135 ( 2.437 5.016 -0.659) 5.615 8.596 ( -1.868 -3.698 -1.132) 4.295 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.171 ( -4.542 -3.069 -2.744) 6.130 1.467 ( -3.218 -1.677 -3.924) 5.345 1.737 ( 3.010 0.229 -8.235) 8.771 1.907 ( -0.531 0.169 1.065) 1.202 2.075 ( -1.673 -1.597 0.285) 2.331 2.192 ( -6.716 8.241 -4.190) 11.426 2.309 ( -0.349 -1.102 -0.764) 1.385 2.397 ( 6.814 0.051 2.178) 7.154 2.561 ( -2.598 -1.654 1.939) 3.640 2.748 ( 1.453 -2.067 -1.363) 2.870 2.856 ( 4.620 5.013 2.803) 7.371 3.205 ( 1.344 -2.233 -0.629) 2.681 3.390 ( -2.594 -2.024 6.783) 7.539 3.970 ( 3.906 1.912 1.058) 4.476 4.044 ( -2.037 -1.665 0.764) 2.739 4.154 ( 1.897 2.938 -3.684) 5.080 4.233 ( -3.972 0.591 -3.414) 5.271 4.546 ( -3.361 -1.736 4.218) 5.666 5.175 ( 3.461 -4.599 1.094) 5.859 5.379 ( -6.764 -0.472 1.161) 6.879 5.694 ( 6.366 3.592 -0.584) 7.333 7.519 ( 0.724 -0.968 -0.101) 1.213 8.158 ( -3.614 1.600 -0.659) 4.007 8.577 ( 3.118 -0.529 -1.135) 3.360 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.649 ( -0.000 2.711 9.829) 10.196 1.179 ( -0.000 5.248 11.281) 12.442 1.533 ( 0.000 -3.188 0.160) 3.192 1.980 ( 0.000 -3.453 -0.396) 3.476 2.289 ( -0.000 -3.009 0.830) 3.121 2.312 ( 0.000 -2.070 0.136) 2.075 2.368 ( 0.000 2.286 -2.268) 3.221 2.423 ( 0.000 -8.104 1.186) 8.190 2.588 ( 0.000 3.139 -3.904) 5.010 2.985 ( -0.000 -5.460 1.963) 5.802 2.989 ( 0.000 -5.591 0.617) 5.625 3.322 ( 0.000 -2.447 0.050) 2.447 3.463 ( -0.000 5.406 8.687) 10.232 3.658 ( -0.000 4.817 0.319) 4.828 3.880 ( 0.000 2.038 -2.360) 3.118 4.153 ( 0.000 4.543 -7.107) 8.435 4.376 ( -0.000 -1.347 0.752) 1.542 4.448 ( -0.000 -2.468 1.409) 2.842 5.133 ( 0.000 2.366 -1.195) 2.651 5.165 ( 0.000 1.895 -0.445) 1.947 6.174 ( -0.000 -7.291 1.747) 7.497 7.540 ( -0.000 -0.190 0.061) 0.199 7.745 ( 0.000 7.362 -2.115) 7.660 8.877 ( -0.000 -6.086 1.245) 6.212 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.897 ( 16.318 5.008 4.751) 17.719 1.286 ( 0.044 6.307 5.863) 8.611 1.475 ( -1.346 -3.226 -2.831) 4.498 1.936 ( -1.948 -1.394 2.130) 3.205 2.204 ( -4.074 -5.348 -0.792) 6.769 2.307 ( -0.007 -3.726 1.466) 4.004 2.316 ( -0.887 -2.895 -0.273) 3.040 2.400 ( 0.973 1.337 -1.361) 2.142 2.580 ( -2.304 2.546 -3.486) 4.894 2.853 ( -3.922 -6.393 1.236) 7.601 3.009 ( 2.515 -3.811 0.114) 4.568 3.284 ( -1.457 -2.708 0.241) 3.084 3.539 ( -1.659 2.901 7.128) 7.873 3.787 ( 7.708 4.453 0.077) 8.902 3.909 ( 0.061 5.174 1.664) 5.435 4.193 ( 2.812 5.052 -7.892) 9.783 4.359 ( -0.355 -2.213 -0.037) 2.241 4.391 ( -3.437 -3.131 1.743) 4.966 5.131 ( -1.665 1.434 -1.224) 2.516 5.201 ( 1.290 3.533 0.231) 3.768 6.076 ( -2.790 -8.416 1.266) 8.957 7.532 ( -0.494 -0.433 0.038) 0.658 7.844 ( 3.329 7.581 -1.618) 8.436 8.803 ( -1.775 -6.222 0.826) 6.523 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.263 ( 14.066 5.443 2.382) 15.270 1.354 ( 0.508 5.800 -1.444) 5.998 1.414 ( -0.328 -1.691 -4.501) 4.819 1.926 ( -0.439 -0.597 5.986) 6.032 2.083 ( -1.379 -3.838 -2.938) 5.026 2.250 ( -1.618 -1.583 -0.667) 2.360 2.317 ( -0.328 -0.643 1.965) 2.094 2.408 ( 0.924 -2.089 -2.920) 3.707 2.562 ( -0.856 4.301 -0.666) 4.435 2.738 ( -2.826 -5.542 0.518) 6.242 2.987 ( -1.753 -2.148 -0.397) 2.801 3.225 ( -1.614 -3.380 0.463) 3.774 3.533 ( -2.773 -0.567 3.734) 4.686 3.950 ( 4.236 4.378 -0.538) 6.116 4.002 ( 1.224 5.607 5.440) 7.908 4.189 ( -3.278 -4.548 -1.864) 5.907 4.339 ( -0.471 1.572 -1.746) 2.396 4.371 ( 5.210 1.906 -2.544) 6.103 5.100 ( -1.755 -0.822 -0.404) 1.979 5.281 ( 2.244 5.495 0.692) 5.975 5.926 ( -4.814 -8.428 0.745) 9.735 7.516 ( -0.469 -0.896 0.004) 1.011 7.988 ( 4.670 7.668 -1.065) 9.041 8.701 ( -2.928 -6.110 0.216) 6.779 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.342 ( -5.450 6.996 -3.264) 9.450 1.380 ( 3.162 -2.897 -4.464) 6.190 1.552 ( 9.921 1.142 -0.719) 10.012 1.937 ( -0.162 0.166 1.531) 1.549 2.092 ( 2.466 2.071 0.061) 3.221 2.196 ( -0.782 -3.355 0.639) 3.503 2.312 ( -0.277 1.184 1.126) 1.658 2.389 ( -0.447 -0.257 -2.802) 2.849 2.617 ( 0.859 -1.645 2.500) 3.113 2.668 ( 1.192 1.659 -2.005) 2.862 2.902 ( -5.951 -0.150 0.540) 5.978 3.173 ( 0.061 -4.201 0.014) 4.201 3.484 ( -2.833 -1.981 2.832) 4.469 3.980 ( -4.024 1.768 0.071) 4.396 4.075 ( 0.319 0.785 3.460) 3.562 4.105 ( 1.579 -2.793 -3.366) 4.650 4.338 ( -2.437 5.008 1.157) 5.689 4.518 ( 7.128 2.181 -1.769) 7.661 5.053 ( -0.073 -4.421 0.481) 4.448 5.393 ( 3.026 6.386 0.541) 7.087 5.755 ( -5.638 -6.668 0.163) 8.734 7.501 ( -0.006 -1.201 -0.043) 1.202 8.141 ( 3.988 7.527 -0.503) 8.533 8.585 ( -2.914 -5.864 -0.432) 6.562 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.233 ( -6.434 -2.914 0.316) 7.070 1.456 ( 4.913 5.567 -5.328) 9.139 1.654 ( 1.914 2.601 -5.245) 6.160 1.938 ( -1.219 0.515 0.529) 1.425 2.088 ( -1.964 -1.696 -0.270) 2.609 2.242 ( 6.148 -4.205 4.147) 8.525 2.339 ( -1.877 3.836 -0.709) 4.329 2.353 ( -1.343 3.555 -1.067) 3.948 2.569 ( -0.819 -3.706 -1.722) 4.168 2.732 ( -0.904 0.660 -1.336) 1.743 2.862 ( 1.180 4.695 3.796) 6.152 3.139 ( 1.475 -4.645 -1.094) 4.994 3.431 ( -2.045 -2.746 3.431) 4.848 3.954 ( 0.334 2.617 -0.587) 2.703 4.064 ( -1.293 -2.310 0.792) 2.763 4.101 ( 1.576 -1.996 -3.457) 4.292 4.354 ( -4.542 7.286 2.013) 8.818 4.588 ( -0.469 -0.551 1.471) 1.639 5.040 ( 4.870 -6.152 0.362) 7.854 5.480 ( -2.335 2.683 0.937) 3.678 5.641 ( 0.783 -1.010 -0.845) 1.531 7.494 ( 0.619 -1.067 -0.061) 1.235 8.241 ( -1.613 5.395 -0.235) 5.636 8.507 ( 1.603 -3.811 -0.823) 4.215 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.824 ( -0.000 6.997 4.703) 8.430 1.368 ( -0.000 1.109 8.768) 8.838 1.468 ( 0.000 4.095 -5.376) 6.758 1.957 ( -0.000 0.786 1.987) 2.136 2.213 ( 0.000 -9.488 0.156) 9.489 2.227 ( -0.000 -4.587 2.453) 5.202 2.306 ( -0.000 -0.469 0.836) 0.958 2.389 ( 0.000 0.648 -2.504) 2.587 2.618 ( 0.000 2.843 -2.084) 3.525 2.876 ( 0.000 -5.156 -1.253) 5.306 2.886 ( 0.000 -5.445 0.556) 5.473 3.275 ( 0.000 -2.214 0.269) 2.230 3.594 ( -0.000 -0.456 2.604) 2.644 3.761 ( 0.000 5.478 -1.078) 5.583 3.983 ( -0.000 5.693 4.827) 7.464 4.166 ( 0.000 0.670 -6.153) 6.189 4.370 ( 0.000 4.862 -1.267) 5.025 4.398 ( -0.000 -4.466 3.012) 5.387 5.175 ( 0.000 3.025 -1.631) 3.436 5.203 ( 0.000 2.605 -0.783) 2.721 6.011 ( 0.000 -9.961 0.924) 10.004 7.535 ( 0.000 -0.275 0.026) 0.276 7.887 ( -0.000 7.990 -0.914) 8.042 8.757 ( 0.000 -6.607 0.886) 6.667 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.041 ( 12.653 5.221 2.789) 13.969 1.373 ( -1.046 -1.142 1.367) 2.066 1.515 ( -2.297 8.168 1.080) 8.553 1.976 ( -1.791 0.946 4.222) 4.682 2.059 ( -2.615 -5.482 -1.602) 6.281 2.233 ( 1.916 -3.052 1.209) 3.801 2.323 ( 1.107 0.335 1.795) 2.135 2.373 ( -1.109 -0.987 -2.114) 2.583 2.621 ( -1.565 3.744 -1.685) 4.394 2.743 ( -3.996 -5.148 -0.030) 6.517 2.914 ( 4.312 -4.764 -1.366) 6.570 3.237 ( -2.062 -2.145 0.513) 3.019 3.566 ( -1.691 -1.888 0.007) 2.534 3.875 ( 6.232 3.954 -0.499) 7.397 4.049 ( 0.635 0.895 3.761) 3.918 4.147 ( 1.674 -1.885 -4.688) 5.323 4.340 ( -1.862 -3.536 2.101) 4.515 4.431 ( -1.964 9.963 -0.063) 10.155 5.144 ( -3.603 1.190 -1.509) 4.083 5.283 ( 3.473 4.756 -0.636) 5.923 5.892 ( -1.911 -10.279 0.591) 10.472 7.523 ( -0.898 -0.418 0.041) 0.992 7.993 ( 3.084 7.763 -0.429) 8.365 8.680 ( -1.682 -6.352 0.738) 6.612 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.296 ( 8.208 -0.208 2.683) 8.638 1.356 ( 0.291 -0.598 -1.357) 1.511 1.534 ( -1.870 6.558 1.802) 7.054 1.944 ( -0.087 -0.480 0.687) 0.842 2.070 ( 2.014 1.835 1.942) 3.346 2.230 ( -3.187 1.282 -2.807) 4.437 2.322 ( 0.204 -0.882 0.781) 1.195 2.361 ( 1.774 0.179 -0.126) 1.788 2.628 ( -3.408 -3.907 1.726) 5.464 2.659 ( 1.451 3.934 -1.364) 4.409 2.919 ( 1.933 -3.469 -1.690) 4.316 3.167 ( -3.344 -2.638 0.818) 4.337 3.509 ( -2.021 -2.556 -0.482) 3.294 3.985 ( 4.318 -2.358 -0.588) 4.955 4.057 ( -1.175 -1.115 2.837) 3.267 4.105 ( -2.751 -1.072 -0.338) 2.972 4.375 ( 7.942 1.337 -3.474) 8.772 4.488 ( -3.106 9.136 1.775) 9.812 5.062 ( -4.617 -2.039 -0.737) 5.101 5.399 ( 3.557 5.895 -0.216) 6.888 5.754 ( -2.857 -8.519 0.337) 8.992 7.500 ( -0.994 -0.631 0.031) 1.178 8.139 ( 4.675 7.279 -0.150) 8.653 8.579 ( -3.118 -5.837 0.436) 6.632 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.314 ( -1.391 -2.410 -0.000) 2.783 1.378 ( 2.103 3.643 0.000) 4.206 1.660 ( 3.765 6.520 -0.000) 7.529 1.953 ( 0.123 0.213 -0.000) 0.246 2.123 ( -0.100 -0.174 -0.000) 0.200 2.133 ( -1.642 -2.844 0.000) 3.284 2.375 ( -0.150 -0.259 -0.000) 0.300 2.388 ( 2.516 4.357 0.000) 5.031 2.538 ( -1.936 -3.353 -0.000) 3.871 2.740 ( 1.740 3.015 -0.000) 3.481 2.915 ( 0.827 1.432 0.000) 1.654 3.080 ( -2.524 -4.372 -0.000) 5.048 3.443 ( -1.814 -3.142 -0.000) 3.628 3.992 ( -0.017 -0.030 -0.000) 0.035 4.019 ( -0.722 -1.250 -0.000) 1.443 4.084 ( -0.308 -0.533 -0.000) 0.615 4.487 ( 0.677 1.172 -0.000) 1.353 4.559 ( 2.936 5.086 -0.000) 5.873 4.950 ( -2.591 -4.487 -0.000) 5.181 5.516 ( 3.076 5.328 -0.000) 6.153 5.629 ( -3.197 -5.538 -0.000) 6.395 7.482 ( -0.293 -0.507 -0.000) 0.586 8.293 ( 4.137 7.166 -0.000) 8.275 8.461 ( -3.350 -5.802 -0.000) 6.699 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.005 ( -0.000 7.279 1.673) 7.468 1.401 ( -0.000 2.393 2.783) 3.670 1.622 ( -0.000 4.939 5.558) 7.435 2.019 ( 0.000 -8.104 0.193) 8.106 2.039 ( -0.000 3.918 1.010) 4.046 2.154 ( -0.000 -5.828 4.325) 7.257 2.325 ( -0.000 0.931 1.006) 1.371 2.378 ( 0.000 0.329 -1.907) 1.935 2.657 ( -0.000 0.802 0.910) 1.213 2.766 ( 0.000 -1.545 -5.221) 5.445 2.788 ( 0.000 -4.025 0.370) 4.042 3.241 ( -0.000 -1.419 0.476) 1.497 3.556 ( 0.000 -2.194 -2.563) 3.373 3.857 ( 0.000 5.627 -2.217) 6.048 4.035 ( -0.000 -4.096 2.239) 4.668 4.107 ( 0.000 1.748 -4.289) 4.632 4.332 ( -0.000 -5.586 4.519) 7.185 4.548 ( -0.000 8.087 0.255) 8.091 5.217 ( 0.000 2.493 -1.741) 3.041 5.272 ( 0.000 5.835 -1.261) 5.969 5.801 ( 0.000 -10.815 0.459) 10.825 7.531 ( -0.000 -0.188 0.069) 0.200 8.038 ( -0.000 6.737 0.082) 6.737 8.639 ( -0.000 -5.528 1.071) 5.631 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.158 ( 7.968 3.607 1.716) 8.913 1.423 ( -3.743 2.904 4.402) 6.467 1.636 ( -3.568 -0.177 5.742) 6.762 1.934 ( -0.143 -1.975 -0.468) 2.035 2.081 ( 0.279 2.188 1.211) 2.517 2.200 ( 6.418 -2.573 3.348) 7.682 2.338 ( -1.370 2.041 -2.378) 3.420 2.347 ( -1.297 -1.819 0.430) 2.276 2.640 ( -1.495 -3.416 0.125) 3.731 2.704 ( -1.920 3.354 0.033) 3.865 2.815 ( 3.484 -1.239 -3.323) 4.972 3.210 ( -2.480 -1.137 0.726) 2.823 3.502 ( -1.269 -2.524 -3.747) 4.693 3.917 ( 1.578 1.459 -1.045) 2.389 4.055 ( 2.828 0.523 3.766) 4.739 4.109 ( 0.847 0.371 -4.343) 4.441 4.286 ( 0.107 -4.023 2.487) 4.731 4.593 ( -0.931 3.300 -0.816) 3.525 5.158 ( -6.175 1.749 -1.370) 6.563 5.387 ( 4.042 5.672 -0.818) 7.012 5.696 ( -0.559 -8.122 0.497) 8.156 7.518 ( -1.182 -0.166 0.088) 1.196 8.128 ( 3.286 4.766 0.270) 5.795 8.579 ( -2.003 -3.766 1.121) 4.411 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.135 ( -0.000 3.676 1.101) 3.837 1.524 ( -0.000 -0.021 6.481) 6.481 1.695 ( -0.000 -1.551 8.181) 8.327 1.910 ( 0.000 -0.921 -0.966) 1.335 2.080 ( -0.000 -5.510 4.812) 7.315 2.110 ( -0.000 0.505 0.110) 0.517 2.323 ( -0.000 -2.656 1.559) 3.080 2.389 ( 0.000 4.563 -3.020) 5.472 2.607 ( 0.000 -4.185 -0.993) 4.301 2.763 ( -0.000 0.675 1.316) 1.479 2.782 ( 0.000 6.147 -3.842) 7.249 3.227 ( -0.000 -0.441 0.518) 0.680 3.461 ( 0.000 -2.851 -6.512) 7.109 3.945 ( 0.000 5.620 -3.274) 6.504 4.041 ( -0.000 2.617 4.219) 4.965 4.079 ( 0.000 -1.215 -2.981) 3.219 4.264 ( -0.000 -6.020 5.834) 8.383 4.594 ( 0.000 -1.575 -3.455) 3.797 5.237 ( 0.000 1.027 -1.675) 1.965 5.380 ( 0.000 1.285 -0.731) 1.479 5.648 ( -0.000 -0.806 0.561) 0.982 7.530 ( -0.000 0.001 0.115) 0.115 8.131 ( -0.000 1.266 0.574) 1.389 8.581 ( -0.000 -0.744 1.387) 1.574 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.804 ( -0.000 -0.000 14.472) 14.472 0.804 ( -0.000 -0.000 14.472) 14.472 1.491 ( -0.000 -0.000 25.910) 25.910 2.126 ( 0.000 0.000 -1.295) 1.295 2.339 ( 0.000 0.000 -0.099) 0.099 2.339 ( 0.000 0.000 -0.099) 0.099 2.408 ( 0.000 0.000 -7.533) 7.533 2.408 ( 0.000 0.000 -7.533) 7.533 2.756 ( -0.000 -0.000 1.428) 1.428 3.136 ( -0.000 -0.000 0.552) 0.552 3.136 ( -0.000 -0.000 0.552) 0.552 3.390 ( -0.000 -0.000 0.012) 0.012 3.473 ( 0.000 0.000 -6.290) 6.290 3.633 ( 0.000 -0.000 3.671) 3.671 3.633 ( 0.000 -0.000 3.671) 3.671 4.154 ( 0.000 0.000 -7.249) 7.249 4.430 ( 0.000 0.000 -1.237) 1.237 4.430 ( 0.000 0.000 -1.237) 1.237 5.095 ( 0.000 0.000 -0.307) 0.307 5.095 ( 0.000 0.000 -0.307) 0.307 6.327 ( -0.000 -0.000 2.579) 2.579 7.542 ( -0.000 -0.000 0.163) 0.163 7.542 ( -0.000 -0.000 0.163) 0.163 9.041 ( 0.000 0.000 -0.083) 0.083 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.783 ( 2.826 1.631 13.575) 13.962 1.032 ( 5.143 2.969 5.647) 8.195 1.624 ( 1.045 0.603 18.272) 18.311 2.067 ( -4.541 -2.621 -1.472) 5.446 2.244 ( -3.260 -1.882 -1.283) 3.977 2.321 ( -1.774 -1.024 -0.044) 2.049 2.357 ( -0.033 -0.019 -1.352) 1.353 2.486 ( 2.597 1.500 -5.915) 6.632 2.625 ( -8.905 -5.141 -0.027) 10.283 3.089 ( -3.734 -2.156 1.064) 4.440 3.118 ( -1.816 -1.049 0.327) 2.123 3.370 ( -1.570 -0.907 -0.000) 1.813 3.377 ( -0.807 -0.466 4.093) 4.198 3.711 ( 5.393 3.114 0.744) 6.272 3.755 ( 3.881 2.240 -0.628) 4.525 4.109 ( 0.513 0.296 -7.590) 7.613 4.389 ( -0.613 -0.354 1.016) 1.238 4.452 ( -0.543 -0.313 -1.298) 1.441 5.095 ( 0.107 0.062 -0.463) 0.479 5.110 ( 0.822 0.475 -0.053) 0.951 6.293 ( -3.718 -2.147 2.315) 4.878 7.541 ( -0.072 -0.041 0.137) 0.160 7.613 ( 5.268 3.041 -1.452) 6.254 8.991 ( -3.718 -2.147 0.730) 4.355 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.039 ( 12.959 7.482 6.520) 16.322 1.080 ( -0.497 -0.287 -4.883) 4.917 1.664 ( -3.093 -1.786 2.621) 4.430 1.960 ( -2.423 -1.399 3.300) 4.326 2.249 ( 2.494 1.440 5.288) 6.021 2.277 ( -1.783 -1.029 0.305) 2.081 2.351 ( -0.020 -0.012 -0.118) 0.120 2.401 ( -7.475 -4.316 1.655) 8.789 2.503 ( -0.740 -0.427 -6.691) 6.745 2.995 ( -4.616 -2.665 0.904) 5.406 3.049 ( -4.202 -2.426 -0.825) 4.922 3.324 ( -2.091 -1.207 0.002) 2.414 3.428 ( 0.522 0.301 9.178) 9.198 3.792 ( 0.899 0.519 -4.237) 4.363 3.867 ( 7.193 4.153 0.410) 8.316 4.132 ( 5.088 2.937 -8.472) 10.310 4.389 ( -4.005 -2.312 0.107) 4.626 4.416 ( 1.451 0.838 2.892) 3.342 5.100 ( 0.653 0.377 -0.255) 0.796 5.130 ( 0.813 0.470 0.995) 1.368 6.182 ( -6.484 -3.744 1.652) 7.667 7.540 ( -0.132 -0.076 0.067) 0.167 7.746 ( 6.625 3.825 -2.022) 7.913 8.893 ( -4.805 -2.774 0.603) 5.581 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.027 ( -0.070 -0.040 -7.316) 7.316 1.362 ( 10.392 6.000 1.222) 12.062 1.588 ( 1.312 0.757 -7.131) 7.290 1.986 ( 1.391 0.803 4.297) 4.587 2.200 ( -5.959 -3.440 -1.487) 7.039 2.284 ( -1.319 -0.761 1.066) 1.858 2.294 ( -0.978 -0.565 -1.998) 2.295 2.431 ( 5.512 3.182 8.647) 10.737 2.446 ( -1.755 -1.013 -3.931) 4.423 2.886 ( -4.782 -2.761 0.505) 5.545 2.908 ( -6.935 -4.004 -2.117) 8.283 3.280 ( -1.603 -0.926 -0.036) 1.852 3.469 ( -0.898 -0.518 9.605) 9.661 3.792 ( 1.244 0.718 -2.879) 3.218 3.992 ( 2.759 1.593 1.414) 3.486 4.183 ( -1.785 -1.030 -4.710) 5.141 4.380 ( 6.812 3.933 -1.497) 8.007 4.444 ( -0.410 -0.237 0.368) 0.600 5.131 ( 1.912 1.104 0.898) 2.383 5.164 ( 1.858 1.073 1.617) 2.687 6.011 ( -8.558 -4.941 0.981) 9.931 7.536 ( -0.176 -0.102 -0.023) 0.205 7.898 ( 6.940 4.007 -1.537) 8.160 8.775 ( -5.204 -3.005 -0.218) 6.013 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.044 ( 3.865 2.232 -3.441) 5.636 1.473 ( 3.983 2.300 -6.612) 8.055 1.708 ( 6.352 3.667 -6.054) 9.511 1.993 ( -4.945 -2.855 2.651) 6.296 2.080 ( 0.297 0.172 -3.152) 3.171 2.220 ( -3.951 -2.281 -4.516) 6.419 2.301 ( 1.691 0.976 2.841) 3.447 2.389 ( -2.000 -1.155 -1.998) 3.054 2.616 ( 6.360 3.672 6.892) 10.071 2.731 ( -6.757 -3.901 -0.926) 7.857 2.792 ( -2.870 -1.657 -0.157) 3.318 3.248 ( -1.090 -0.629 -0.362) 1.309 3.480 ( -1.870 -1.080 7.643) 7.942 3.838 ( 3.241 1.871 0.433) 3.768 4.025 ( -0.560 -0.323 3.069) 3.136 4.105 ( -1.150 -0.664 -3.990) 4.205 4.391 ( -3.371 -1.946 -3.338) 5.128 4.546 ( 4.953 2.860 0.757) 5.769 5.190 ( 2.173 1.255 1.828) 3.105 5.255 ( 5.588 3.226 0.959) 6.524 5.802 ( -9.111 -5.260 0.325) 10.525 7.532 ( -0.135 -0.078 -0.095) 0.182 8.045 ( 5.742 3.315 -0.852) 6.685 8.655 ( -4.482 -2.588 -1.055) 5.282 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.770 ( -0.000 -6.826 14.368) 15.907 1.088 ( -0.000 7.114 5.575) 9.039 1.671 ( -0.000 -4.984 13.472) 14.364 2.061 ( 0.000 -4.420 -1.781) 4.766 2.292 ( 0.000 2.414 -0.977) 2.604 2.330 ( 0.000 -1.176 -0.011) 1.176 2.341 ( 0.000 -0.986 -0.705) 1.212 2.458 ( 0.000 6.122 -7.694) 9.833 2.635 ( 0.000 -10.172 0.610) 10.190 3.098 ( -0.000 -4.237 1.244) 4.416 3.102 ( -0.000 -3.938 1.038) 4.072 3.368 ( 0.000 -1.931 0.057) 1.932 3.420 ( -0.000 1.337 4.975) 5.152 3.618 ( -0.000 -0.031 3.693) 3.693 3.799 ( 0.000 5.380 -2.039) 5.754 4.066 ( 0.000 0.339 -8.800) 8.806 4.395 ( -0.000 -0.350 0.721) 0.802 4.458 ( 0.000 1.279 -1.034) 1.645 5.098 ( 0.000 0.692 -0.534) 0.874 5.118 ( 0.000 2.184 -0.673) 2.285 6.304 ( -0.000 -4.375 2.072) 4.841 7.543 ( -0.000 -0.075 0.093) 0.119 7.604 ( 0.000 5.333 -0.930) 5.413 8.992 ( 0.000 -4.352 0.592) 4.392 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.888 ( 10.874 -0.680 9.666) 14.565 1.145 ( -2.728 6.398 -1.963) 7.227 1.644 ( -0.556 -9.565 6.049) 11.331 1.990 ( -2.045 -2.762 0.400) 3.460 2.262 ( -3.271 -1.256 -0.439) 3.532 2.336 ( 0.336 3.378 2.386) 4.149 2.337 ( 0.325 -0.845 -0.095) 0.910 2.473 ( -5.644 -7.645 1.537) 9.626 2.488 ( -0.059 3.024 -7.171) 7.782 3.003 ( -3.224 -6.912 1.042) 7.698 3.078 ( -0.632 -2.605 0.494) 2.726 3.336 ( -1.226 -2.231 0.058) 2.546 3.494 ( 0.305 4.713 8.663) 9.867 3.727 ( 7.604 1.682 1.451) 7.921 3.824 ( -0.057 3.577 -1.965) 4.082 4.052 ( 2.288 2.948 -9.459) 10.169 4.404 ( 0.942 -0.750 1.612) 2.012 4.436 ( -2.927 -0.760 -0.208) 3.031 5.101 ( -0.266 0.877 -0.597) 1.094 5.142 ( 0.454 2.416 0.031) 2.459 6.229 ( -3.396 -5.877 1.463) 6.944 7.540 ( -0.171 -0.259 0.062) 0.317 7.695 ( 3.851 6.101 -1.282) 7.328 8.922 ( -2.579 -4.935 0.604) 5.601 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.080 ( -1.891 8.041 -5.325) 9.828 1.228 ( 11.502 5.615 3.060) 13.160 1.528 ( -1.822 -7.715 -2.833) 8.418 1.977 ( 1.077 -0.669 4.095) 4.287 2.171 ( -2.310 -6.666 -1.480) 7.209 2.310 ( -3.844 -4.047 0.146) 5.584 2.331 ( -0.502 0.083 0.007) 0.509 2.425 ( 2.186 1.359 3.210) 4.115 2.469 ( -1.476 3.184 -3.110) 4.689 2.874 ( -3.290 -7.424 0.087) 8.121 3.017 ( -4.587 -0.893 -0.317) 4.684 3.287 ( -1.414 -2.482 0.081) 2.858 3.550 ( -2.077 1.366 6.808) 7.247 3.815 ( -0.299 6.074 -1.642) 6.299 3.948 ( 5.988 2.903 4.492) 8.029 4.124 ( 6.002 4.847 -9.398) 12.159 4.352 ( -2.951 -1.779 0.396) 3.468 4.413 ( 1.283 -3.464 0.482) 3.725 5.106 ( 0.549 0.000 0.238) 0.598 5.188 ( 0.976 3.887 1.000) 4.131 6.086 ( -6.039 -6.754 0.797) 9.095 7.533 ( -0.105 -0.636 0.008) 0.645 7.836 ( 5.369 6.472 -1.089) 8.480 8.815 ( -3.918 -4.960 0.052) 6.321 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.095 ( -3.224 11.723 -4.364) 12.918 1.403 ( 1.493 -1.071 -3.119) 3.620 1.549 ( 11.302 1.066 -3.374) 11.843 2.014 ( -0.667 -3.611 4.533) 5.834 2.048 ( -0.550 -2.539 -4.922) 5.565 2.245 ( -1.067 -1.335 -0.197) 1.720 2.319 ( -1.517 0.574 1.089) 1.954 2.391 ( -1.040 -1.485 -3.392) 3.846 2.574 ( 5.023 3.007 4.270) 7.246 2.746 ( -3.141 -6.051 -0.341) 6.826 2.903 ( -7.409 0.498 0.155) 7.427 3.243 ( -0.591 -2.662 -0.219) 2.735 3.535 ( -2.161 -1.286 4.291) 4.973 3.873 ( -1.051 7.623 -0.077) 7.696 4.054 ( 1.450 2.258 4.910) 5.596 4.117 ( -3.884 -1.177 -3.503) 5.361 4.370 ( -0.078 -4.963 -1.776) 5.272 4.448 ( 9.221 3.732 -1.817) 10.112 5.123 ( 2.271 -2.169 1.276) 3.389 5.269 ( 2.021 5.959 1.175) 6.402 5.895 ( -7.854 -6.745 0.208) 10.355 7.524 ( 0.117 -0.983 -0.056) 0.991 7.995 ( 5.304 6.442 -0.611) 8.366 8.691 ( -4.256 -4.737 -0.641) 6.400 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.811 ( -0.000 -1.712 11.474) 11.601 1.238 ( 0.000 8.290 -2.899) 8.782 1.577 ( -0.000 -10.431 5.520) 11.802 1.982 ( -0.000 -1.909 0.792) 2.067 2.299 ( -0.000 -2.058 0.563) 2.134 2.313 ( 0.000 -0.961 -0.929) 1.336 2.352 ( -0.000 0.536 1.165) 1.282 2.434 ( 0.000 -9.039 0.216) 9.041 2.503 ( 0.000 5.601 -7.168) 9.097 3.004 ( 0.000 -5.711 0.627) 5.745 3.008 ( -0.000 -6.387 1.677) 6.604 3.323 ( 0.000 -2.387 0.059) 2.388 3.579 ( -0.000 4.265 4.964) 6.544 3.680 ( -0.000 2.641 2.575) 3.689 3.875 ( -0.000 6.133 2.525) 6.633 4.025 ( 0.000 4.755 -9.033) 10.208 4.385 ( -0.000 -2.424 0.449) 2.465 4.460 ( 0.000 -0.691 0.077) 0.695 5.115 ( 0.000 1.880 -1.128) 2.193 5.156 ( 0.000 2.079 -0.759) 2.214 6.195 ( 0.000 -7.650 0.961) 7.710 7.540 ( 0.000 -0.211 0.020) 0.212 7.725 ( -0.000 7.332 -0.630) 7.359 8.891 ( 0.000 -6.015 0.645) 6.049 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.985 ( 12.805 2.235 6.752) 14.647 1.288 ( -3.194 11.443 -3.912) 12.508 1.482 ( -2.232 -8.294 2.910) 9.068 1.981 ( 0.326 0.093 2.968) 2.987 2.179 ( -6.316 -5.514 -2.082) 8.639 2.311 ( -1.585 -5.267 -0.126) 5.502 2.328 ( 0.900 -0.367 0.698) 1.197 2.403 ( 1.439 -1.204 2.054) 2.782 2.513 ( -1.172 4.641 -5.146) 7.028 2.868 ( -4.131 -6.748 0.741) 7.947 3.012 ( 2.133 -4.463 0.289) 4.955 3.286 ( -1.383 -2.534 0.111) 2.889 3.598 ( -0.823 -0.783 0.458) 1.225 3.798 ( 7.102 3.566 0.939) 8.002 3.982 ( 0.700 7.241 7.786) 10.656 4.060 ( 2.063 7.927 -8.898) 12.094 4.357 ( -0.016 -3.532 -0.236) 3.540 4.410 ( -3.972 -1.939 0.808) 4.493 5.115 ( -1.045 1.078 -0.897) 1.749 5.199 ( 2.180 3.297 -0.480) 3.981 6.089 ( -2.857 -8.659 0.407) 9.127 7.533 ( -0.496 -0.437 0.019) 0.661 7.830 ( 3.161 7.798 -0.259) 8.418 8.812 ( -2.074 -6.164 0.417) 6.517 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.284 ( 6.092 10.551 -0.000) 12.184 1.337 ( 3.040 5.266 -0.000) 6.081 1.379 ( -2.105 -3.646 -0.000) 4.210 2.011 ( -3.493 -6.051 0.000) 6.987 2.024 ( 1.424 2.467 -0.000) 2.848 2.245 ( -1.488 -2.577 -0.000) 2.976 2.345 ( 0.526 0.911 0.000) 1.052 2.373 ( -2.010 -3.481 -0.000) 4.019 2.556 ( 2.456 4.254 0.000) 4.912 2.742 ( -3.338 -5.781 -0.000) 6.676 2.984 ( -1.482 -2.568 -0.000) 2.965 3.228 ( -1.800 -3.117 -0.000) 3.599 3.560 ( -1.403 -2.430 -0.000) 2.806 3.947 ( 3.017 5.226 -0.000) 6.034 4.071 ( 1.636 2.834 -0.000) 3.272 4.151 ( -0.076 -0.132 -0.000) 0.152 4.313 ( 1.357 2.351 -0.000) 2.715 4.360 ( 0.123 0.214 -0.000) 0.247 5.097 ( -0.733 -1.270 -0.000) 1.466 5.286 ( 2.903 5.028 -0.000) 5.806 5.932 ( -4.932 -8.542 -0.000) 9.863 7.516 ( -0.510 -0.883 -0.000) 1.019 7.980 ( 4.565 7.907 -0.000) 9.130 8.702 ( -3.431 -5.942 -0.000) 6.861 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.916 ( -0.000 2.612 7.280) 7.734 1.398 ( 0.000 5.615 -3.549) 6.643 1.484 ( -0.000 2.007 6.983) 7.265 1.997 ( -0.000 1.248 2.286) 2.605 2.200 ( 0.000 -8.893 -1.221) 8.977 2.262 ( -0.000 -3.003 2.285) 3.773 2.305 ( 0.000 -0.241 -1.353) 1.375 2.392 ( -0.000 -0.884 2.837) 2.971 2.549 ( 0.000 5.956 -6.906) 9.119 2.880 ( -0.000 -7.670 1.455) 7.807 2.890 ( 0.000 -5.624 -0.035) 5.624 3.278 ( 0.000 -2.008 0.183) 2.016 3.580 ( 0.000 -1.651 -4.569) 4.858 3.762 ( -0.000 3.388 1.169) 3.584 4.033 ( 0.000 3.465 -2.044) 4.023 4.109 ( -0.000 2.403 2.892) 3.761 4.365 ( -0.000 5.630 0.419) 5.645 4.433 ( -0.000 -2.620 1.670) 3.107 5.151 ( 0.000 2.796 -1.629) 3.236 5.187 ( 0.000 2.319 -1.397) 2.707 6.018 ( 0.000 -10.062 0.002) 10.062 7.536 ( 0.000 -0.254 0.031) 0.256 7.883 ( -0.000 8.126 0.401) 8.136 8.769 ( 0.000 -6.437 0.649) 6.470 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.978 ( -0.000 -0.000 8.666) 8.666 0.978 ( -0.000 -0.000 8.666) 8.666 1.796 ( -0.000 -0.000 14.674) 14.674 2.111 ( 0.000 0.000 -0.428) 0.428 2.303 ( 0.000 0.000 -4.960) 4.960 2.303 ( 0.000 0.000 -4.960) 4.960 2.344 ( 0.000 0.000 -0.332) 0.332 2.344 ( 0.000 0.000 -0.332) 0.332 2.753 ( 0.000 0.000 -1.628) 1.628 3.143 ( -0.000 -0.000 0.344) 0.344 3.143 ( -0.000 -0.000 0.344) 0.344 3.390 ( -0.000 -0.000 0.008) 0.008 3.447 ( -0.000 -0.000 2.179) 2.179 3.678 ( -0.000 -0.000 2.191) 2.191 3.678 ( -0.000 -0.000 2.191) 2.191 4.023 ( 0.000 0.000 -9.214) 9.214 4.414 ( 0.000 0.000 -0.828) 0.828 4.414 ( 0.000 0.000 -0.828) 0.828 5.091 ( 0.000 0.000 -0.190) 0.190 5.091 ( 0.000 0.000 -0.190) 0.190 6.360 ( -0.000 -0.000 1.774) 1.774 7.544 ( -0.000 -0.000 0.101) 0.101 7.544 ( -0.000 -0.000 0.101) 0.101 9.040 ( 0.000 0.000 -0.065) 0.065 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.970 ( 1.341 0.774 11.199) 11.305 1.053 ( -0.454 -0.262 -2.868) 2.916 1.813 ( -3.845 -2.220 6.775) 8.101 2.045 ( -4.203 -2.426 -1.111) 4.979 2.255 ( 0.787 0.454 3.098) 3.228 2.319 ( -1.297 -0.749 -0.252) 1.519 2.347 ( 0.147 0.085 -0.259) 0.309 2.387 ( 3.976 2.295 -6.120) 7.650 2.628 ( -8.643 -4.990 0.147) 9.981 3.103 ( -3.480 -2.009 0.743) 4.086 3.120 ( -2.195 -1.267 -0.096) 2.536 3.369 ( -1.600 -0.924 -0.025) 1.847 3.466 ( 2.174 1.255 6.437) 6.909 3.728 ( 1.294 0.747 -2.881) 3.246 3.732 ( 4.538 2.620 2.137) 5.659 3.982 ( 0.592 0.342 -7.898) 7.928 4.411 ( 0.957 0.552 1.792) 2.105 4.432 ( -0.006 -0.003 -1.422) 1.422 5.091 ( 0.067 0.039 -0.112) 0.136 5.109 ( 1.262 0.729 -0.008) 1.457 6.320 ( -3.877 -2.238 1.194) 4.633 7.543 ( -0.088 -0.051 0.078) 0.128 7.599 ( 4.373 2.525 -0.524) 5.076 8.997 ( -3.384 -1.954 0.182) 3.912 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.970 ( -2.395 -1.383 -9.605) 9.995 1.149 ( 9.082 5.244 7.708) 13.015 1.650 ( -8.892 -5.134 -3.517) 10.853 1.991 ( -0.349 -0.201 0.368) 0.545 2.290 ( -1.402 -0.810 1.505) 2.211 2.301 ( -0.247 -0.143 0.809) 0.858 2.395 ( 4.152 2.397 6.515) 8.089 2.400 ( -3.660 -2.113 -4.072) 5.869 2.431 ( -4.365 -2.520 -0.218) 5.044 3.005 ( -4.846 -2.798 0.407) 5.611 3.032 ( -5.056 -2.919 -1.464) 6.019 3.324 ( -2.061 -1.190 -0.043) 2.380 3.560 ( 1.230 0.710 6.938) 7.082 3.730 ( 1.072 0.619 -3.986) 4.173 3.898 ( 8.248 4.762 3.560) 10.167 3.994 ( 4.313 2.490 -8.560) 9.903 4.389 ( -3.103 -1.792 -0.127) 3.585 4.449 ( 0.776 0.448 1.501) 1.749 5.102 ( 1.076 0.621 0.578) 1.371 5.144 ( 1.455 0.840 0.839) 1.878 6.199 ( -6.681 -3.857 0.511) 7.731 7.540 ( -0.171 -0.099 0.027) 0.199 7.726 ( 6.437 3.716 -0.737) 7.469 8.897 ( -5.024 -2.901 -0.074) 5.802 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.954 ( -0.000 -5.172 10.115) 11.360 1.092 ( 0.000 3.730 -4.648) 5.960 1.818 ( -0.000 -7.920 5.662) 9.736 2.042 ( 0.000 -4.416 -0.642) 4.462 2.302 ( -0.000 2.891 1.974) 3.501 2.318 ( 0.000 0.779 -3.139) 3.234 2.338 ( -0.000 -0.025 0.533) 0.534 2.359 ( 0.000 3.610 -3.718) 5.182 2.633 ( 0.000 -8.967 -0.496) 8.981 3.108 ( 0.000 -3.833 0.085) 3.834 3.114 ( -0.000 -3.176 0.621) 3.236 3.369 ( 0.000 -1.895 0.048) 1.895 3.498 ( -0.000 3.900 3.275) 5.092 3.676 ( -0.000 -0.152 3.947) 3.949 3.767 ( 0.000 4.615 -2.276) 5.145 3.948 ( 0.000 0.204 -4.634) 4.639 4.411 ( -0.000 0.218 1.373) 1.390 4.437 ( 0.000 1.765 -1.712) 2.459 5.092 ( 0.000 0.297 -0.270) 0.402 5.111 ( 0.000 1.824 -0.301) 1.849 6.325 ( 0.000 -4.505 0.621) 4.548 7.544 ( 0.000 -0.099 0.010) 0.100 7.596 ( -0.000 4.793 -0.126) 4.794 8.997 ( 0.000 -3.934 0.154) 3.937 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 0.992 ( 0.715 1.239 -0.000) 1.431 1.096 ( 2.118 3.668 0.000) 4.236 1.691 ( -5.672 -9.824 -0.000) 11.344 1.996 ( -0.710 -1.230 -0.000) 1.420 2.258 ( -1.819 -3.150 -0.000) 3.638 2.336 ( -0.054 -0.093 -0.000) 0.107 2.387 ( 1.035 1.793 -0.000) 2.071 2.397 ( 2.161 3.743 0.000) 4.322 2.485 ( -4.632 -8.023 -0.000) 9.264 3.011 ( -3.831 -6.636 -0.000) 7.662 3.082 ( -1.322 -2.289 -0.000) 2.643 3.336 ( -1.257 -2.177 -0.000) 2.513 3.576 ( 2.055 3.559 -0.000) 4.109 3.738 ( 1.867 3.234 -0.000) 3.734 3.823 ( 3.541 6.133 0.000) 7.081 3.951 ( 0.967 1.674 -0.000) 1.933 4.420 ( -0.446 -0.773 0.000) 0.892 4.431 ( -0.500 -0.866 -0.000) 1.000 5.096 ( 0.270 0.467 -0.000) 0.540 5.142 ( 1.287 2.229 -0.000) 2.574 6.240 ( -3.465 -6.001 -0.000) 6.929 7.540 ( -0.162 -0.280 -0.000) 0.324 7.686 ( 3.517 6.091 -0.000) 7.033 8.927 ( -2.766 -4.791 -0.000) 5.532 ======================= 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 2.11e-04 2.11e-04 2.11e-04 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| 1.045 ( -0.000 -0.000 0.000) 0.000 1.045 ( -0.000 -0.000 0.000) 0.000 1.904 ( 0.000 0.000 -0.000) 0.000 2.113 ( -0.000 -0.000 0.000) 0.000 2.263 ( -0.000 -0.000 0.000) 0.000 2.263 ( -0.000 -0.000 0.000) 0.000 2.343 ( -0.000 -0.000 0.000) 0.000 2.343 ( -0.000 -0.000 0.000) 0.000 2.734 ( -0.000 -0.000 0.000) 0.000 3.146 ( -0.000 -0.000 0.000) 0.000 3.146 ( -0.000 -0.000 0.000) 0.000 3.390 ( -0.000 -0.000 0.000) 0.000 3.481 ( -0.000 -0.000 0.000) 0.000 3.694 ( -0.000 -0.000 0.000) 0.000 3.694 ( -0.000 -0.000 0.000) 0.000 3.939 ( -0.000 -0.000 0.000) 0.000 4.408 ( -0.000 -0.000 0.000) 0.000 4.408 ( -0.000 -0.000 0.000) 0.000 5.090 ( -0.000 -0.000 0.000) 0.000 5.090 ( -0.000 -0.000 0.000) 0.000 6.374 ( -0.000 -0.000 0.000) 0.000 7.545 ( -0.000 -0.000 0.000) 0.000 7.545 ( -0.000 -0.000 0.000) 0.000 9.040 ( -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 10.0 116.098 116.098 202.613 -0.000 -0.000 -0.000 3/24000 20.0 18.720 18.720 23.461 -0.000 -0.000 -0.000 3/24000 30.0 8.894 8.894 10.091 0.000 -0.000 -0.000 3/24000 40.0 5.868 5.868 6.293 0.000 -0.000 -0.000 3/24000 50.0 4.432 4.432 4.588 0.000 -0.000 -0.000 3/24000 60.0 3.592 3.592 3.630 0.000 -0.000 -0.000 3/24000 70.0 3.037 3.037 3.015 0.000 -0.000 -0.000 3/24000 80.0 2.642 2.642 2.586 0.000 -0.000 -0.000 3/24000 90.0 2.344 2.344 2.268 0.000 -0.000 -0.000 3/24000 100.0 2.110 2.110 2.022 0.000 -0.000 -0.000 3/24000 110.0 1.921 1.921 1.826 0.000 -0.000 -0.000 3/24000 120.0 1.764 1.764 1.665 0.000 -0.000 -0.000 3/24000 130.0 1.632 1.632 1.531 0.000 -0.000 -0.000 3/24000 140.0 1.519 1.519 1.418 0.000 -0.000 -0.000 3/24000 150.0 1.421 1.421 1.320 0.000 -0.000 -0.000 3/24000 160.0 1.335 1.335 1.236 0.000 -0.000 -0.000 3/24000 170.0 1.259 1.259 1.161 0.000 -0.000 -0.000 3/24000 180.0 1.192 1.192 1.096 0.000 -0.000 -0.000 3/24000 190.0 1.131 1.131 1.037 0.000 -0.000 -0.000 3/24000 200.0 1.076 1.076 0.984 0.000 -0.000 -0.000 3/24000 210.0 1.027 1.027 0.937 0.000 -0.000 -0.000 3/24000 220.0 0.981 0.981 0.894 0.000 -0.000 -0.000 3/24000 230.0 0.940 0.940 0.855 0.000 -0.000 -0.000 3/24000 240.0 0.902 0.902 0.819 0.000 -0.000 -0.000 3/24000 250.0 0.866 0.866 0.786 0.000 -0.000 -0.000 3/24000 260.0 0.834 0.834 0.755 0.000 -0.000 -0.000 3/24000 270.0 0.804 0.804 0.727 0.000 -0.000 -0.000 3/24000 280.0 0.776 0.776 0.701 0.000 -0.000 -0.000 3/24000 290.0 0.750 0.750 0.677 0.000 -0.000 -0.000 3/24000 300.0 0.725 0.725 0.654 0.000 -0.000 -0.000 3/24000 310.0 0.702 0.702 0.633 0.000 -0.000 -0.000 3/24000 320.0 0.681 0.681 0.613 0.000 -0.000 -0.000 3/24000 330.0 0.660 0.660 0.595 0.000 -0.000 -0.000 3/24000 340.0 0.641 0.641 0.577 0.000 -0.000 -0.000 3/24000 350.0 0.623 0.623 0.560 0.000 -0.000 -0.000 3/24000 360.0 0.606 0.606 0.545 0.000 -0.000 -0.000 3/24000 370.0 0.590 0.590 0.530 0.000 -0.000 -0.000 3/24000 380.0 0.575 0.575 0.516 0.000 -0.000 -0.000 3/24000 390.0 0.560 0.560 0.503 0.000 -0.000 -0.000 3/24000 400.0 0.547 0.547 0.490 0.000 -0.000 -0.000 3/24000 410.0 0.533 0.533 0.478 0.000 -0.000 -0.000 3/24000 420.0 0.521 0.521 0.467 0.000 -0.000 -0.000 3/24000 430.0 0.509 0.509 0.456 0.000 -0.000 -0.000 3/24000 440.0 0.498 0.498 0.446 0.000 -0.000 -0.000 3/24000 450.0 0.487 0.487 0.436 0.000 -0.000 -0.000 3/24000 460.0 0.476 0.476 0.426 0.000 -0.000 -0.000 3/24000 470.0 0.466 0.466 0.417 0.000 -0.000 -0.000 3/24000 480.0 0.457 0.457 0.409 0.000 -0.000 -0.000 3/24000 490.0 0.447 0.447 0.400 0.000 -0.000 -0.000 3/24000 500.0 0.438 0.438 0.392 0.000 -0.000 -0.000 3/24000 510.0 0.430 0.430 0.385 0.000 -0.000 -0.000 3/24000 520.0 0.422 0.422 0.377 0.000 -0.000 -0.000 3/24000 530.0 0.414 0.414 0.370 0.000 -0.000 -0.000 3/24000 540.0 0.406 0.406 0.363 0.000 -0.000 -0.000 3/24000 550.0 0.399 0.399 0.357 0.000 -0.000 -0.000 3/24000 560.0 0.392 0.392 0.350 0.000 -0.000 -0.000 3/24000 570.0 0.385 0.385 0.344 0.000 -0.000 -0.000 3/24000 580.0 0.379 0.379 0.338 0.000 -0.000 -0.000 3/24000 590.0 0.372 0.372 0.332 0.000 -0.000 -0.000 3/24000 600.0 0.366 0.366 0.327 0.000 -0.000 -0.000 3/24000 610.0 0.360 0.360 0.322 0.000 -0.000 -0.000 3/24000 620.0 0.354 0.354 0.316 0.000 -0.000 -0.000 3/24000 630.0 0.349 0.349 0.311 0.000 -0.000 -0.000 3/24000 640.0 0.343 0.343 0.306 0.000 -0.000 -0.000 3/24000 650.0 0.338 0.338 0.302 0.000 -0.000 -0.000 3/24000 660.0 0.333 0.333 0.297 0.000 -0.000 -0.000 3/24000 670.0 0.328 0.328 0.293 0.000 -0.000 -0.000 3/24000 680.0 0.323 0.323 0.288 0.000 -0.000 -0.000 3/24000 690.0 0.319 0.319 0.284 0.000 -0.000 -0.000 3/24000 700.0 0.314 0.314 0.280 0.000 -0.000 -0.000 3/24000 710.0 0.310 0.310 0.276 0.000 -0.000 -0.000 3/24000 720.0 0.305 0.305 0.272 0.000 -0.000 -0.000 3/24000 730.0 0.301 0.301 0.269 0.000 -0.000 -0.000 3/24000 740.0 0.297 0.297 0.265 0.000 -0.000 -0.000 3/24000 750.0 0.293 0.293 0.262 0.000 -0.000 -0.000 3/24000 760.0 0.289 0.289 0.258 0.000 -0.000 -0.000 3/24000 770.0 0.286 0.286 0.255 0.000 -0.000 -0.000 3/24000 780.0 0.282 0.282 0.252 0.000 -0.000 -0.000 3/24000 790.0 0.279 0.279 0.248 0.000 -0.000 -0.000 3/24000 800.0 0.275 0.275 0.245 0.000 -0.000 -0.000 3/24000 810.0 0.272 0.272 0.242 0.000 -0.000 -0.000 3/24000 820.0 0.268 0.268 0.239 0.000 -0.000 -0.000 3/24000 830.0 0.265 0.265 0.236 0.000 -0.000 -0.000 3/24000 840.0 0.262 0.262 0.234 0.000 -0.000 -0.000 3/24000 850.0 0.259 0.259 0.231 0.000 -0.000 -0.000 3/24000 860.0 0.256 0.256 0.228 0.000 -0.000 -0.000 3/24000 870.0 0.253 0.253 0.226 0.000 -0.000 -0.000 3/24000 880.0 0.250 0.250 0.223 0.000 -0.000 -0.000 3/24000 890.0 0.247 0.247 0.220 0.000 -0.000 -0.000 3/24000 900.0 0.245 0.245 0.218 0.000 -0.000 -0.000 3/24000 910.0 0.242 0.242 0.216 0.000 -0.000 -0.000 3/24000 920.0 0.239 0.239 0.213 0.000 -0.000 -0.000 3/24000 930.0 0.237 0.237 0.211 0.000 -0.000 -0.000 3/24000 940.0 0.234 0.234 0.209 0.000 -0.000 -0.000 3/24000 950.0 0.232 0.232 0.207 0.000 -0.000 -0.000 3/24000 960.0 0.229 0.229 0.204 0.000 -0.000 -0.000 3/24000 970.0 0.227 0.227 0.202 0.000 -0.000 -0.000 3/24000 980.0 0.225 0.225 0.200 0.000 -0.000 -0.000 3/24000 990.0 0.222 0.222 0.198 0.000 -0.000 -0.000 3/24000 1000.0 0.220 0.220 0.196 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 2026-01-08 00:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|