----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:33:48]------------------------- Compiled with OpenMP support (max 48 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-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.484327400122222 1.434327093215725 4.382409503333329 b -2.484327400122218 1.434327093215725 4.382409503333329 c 0.000000000000002 -2.868654186431455 4.382409503333329 Atomic positions (fractional): *1 F 0.25000000000000 0.63012975268564 0.86987024731436 18.998 2 F 0.63012975268564 0.86987024731436 0.25000000000000 18.998 3 F 0.13012975268564 0.75000000000000 0.36987024731436 18.998 4 F 0.36987024731435 0.13012975268564 0.75000000000000 18.998 5 F 0.75000000000000 0.36987024731436 0.13012975268564 18.998 6 F 0.86987024731436 0.25000000000000 0.63012975268564 18.998 *7 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.968654800244440 0.000000000000000 0.000000000000000 b -2.484327400122220 4.302981279647181 0.000000000000000 c 0.000000000000000 0.000000000000000 13.147228510000000 Atomic positions (fractional): *1 F 0.00000000000000 0.38012975268564 0.25000000000000 18.998 > 1 2 F 0.38012975268564 0.00000000000000 0.25000000000000 18.998 > 2 3 F 0.04679641935231 0.71346308601898 0.08333333333333 18.998 > 3 4 F 0.28653691398102 0.33333333333333 0.08333333333333 18.998 > 4 5 F 0.66666666666667 0.95320358064769 0.08333333333333 18.998 > 5 6 F 0.61987024731436 0.61987024731436 0.25000000000000 18.998 > 6 7 F 0.66666666666667 0.71346308601898 0.58333333333333 18.998 > 1 8 F 0.04679641935231 0.33333333333333 0.58333333333333 18.998 > 2 9 F 0.71346308601898 0.04679641935231 0.41666666666667 18.998 > 3 10 F 0.95320358064769 0.66666666666667 0.41666666666667 18.998 > 4 11 F 0.33333333333333 0.28653691398102 0.41666666666667 18.998 > 5 12 F 0.28653691398102 0.95320358064769 0.58333333333333 18.998 > 6 13 F 0.33333333333333 0.04679641935231 0.91666666666667 18.998 > 1 14 F 0.71346308601898 0.66666666666667 0.91666666666667 18.998 > 2 15 F 0.38012975268564 0.38012975268564 0.75000000000000 18.998 > 3 16 F 0.61987024731436 0.00000000000000 0.75000000000000 18.998 > 4 17 F 0.00000000000000 0.61987024731436 0.75000000000000 18.998 > 5 18 F 0.95320358064769 0.28653691398102 0.91666666666667 18.998 > 6 *19 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 7 20 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 8 21 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 7 22 Ga 0.66666666666667 0.33333333333333 0.33333333333333 69.723 > 8 23 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 7 24 Ga 0.33333333333333 0.66666666666667 0.66666666666667 69.723 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.937309600488881 0.000000000000000 0.000000000000000 b -4.968654800244440 8.605962559294362 0.000000000000000 c 0.000000000000000 0.000000000000000 13.147228510000000 Atomic positions (fractional): *1 F 0.00000000000000 0.19006487634282 0.25000000000000 18.998 > 1 2 F 0.50000000000000 0.19006487634282 0.25000000000000 18.998 > 1 3 F 0.00000000000000 0.69006487634282 0.25000000000000 18.998 > 1 4 F 0.50000000000000 0.69006487634282 0.25000000000000 18.998 > 1 5 F 0.19006487634282 0.00000000000000 0.25000000000000 18.998 > 2 6 F 0.69006487634282 0.00000000000000 0.25000000000000 18.998 > 2 7 F 0.19006487634282 0.50000000000000 0.25000000000000 18.998 > 2 8 F 0.69006487634282 0.50000000000000 0.25000000000000 18.998 > 2 9 F 0.02339820967616 0.35673154300949 0.08333333333333 18.998 > 3 10 F 0.52339820967616 0.35673154300949 0.08333333333333 18.998 > 3 11 F 0.02339820967616 0.85673154300949 0.08333333333333 18.998 > 3 12 F 0.52339820967616 0.85673154300949 0.08333333333333 18.998 > 3 13 F 0.14326845699051 0.16666666666667 0.08333333333333 18.998 > 4 14 F 0.64326845699051 0.16666666666667 0.08333333333333 18.998 > 4 15 F 0.14326845699051 0.66666666666667 0.08333333333333 18.998 > 4 16 F 0.64326845699051 0.66666666666667 0.08333333333333 18.998 > 4 17 F 0.33333333333333 0.47660179032384 0.08333333333333 18.998 > 5 18 F 0.83333333333333 0.47660179032384 0.08333333333333 18.998 > 5 19 F 0.33333333333333 0.97660179032384 0.08333333333333 18.998 > 5 20 F 0.83333333333333 0.97660179032384 0.08333333333333 18.998 > 5 21 F 0.30993512365718 0.30993512365718 0.25000000000000 18.998 > 6 22 F 0.80993512365718 0.30993512365718 0.25000000000000 18.998 > 6 23 F 0.30993512365718 0.80993512365718 0.25000000000000 18.998 > 6 24 F 0.80993512365718 0.80993512365718 0.25000000000000 18.998 > 6 25 F 0.33333333333333 0.35673154300949 0.58333333333333 18.998 > 1 26 F 0.83333333333333 0.35673154300949 0.58333333333333 18.998 > 1 27 F 0.33333333333333 0.85673154300949 0.58333333333333 18.998 > 1 28 F 0.83333333333333 0.85673154300949 0.58333333333333 18.998 > 1 29 F 0.02339820967616 0.16666666666667 0.58333333333333 18.998 > 2 30 F 0.52339820967616 0.16666666666667 0.58333333333333 18.998 > 2 31 F 0.02339820967616 0.66666666666667 0.58333333333333 18.998 > 2 32 F 0.52339820967616 0.66666666666667 0.58333333333333 18.998 > 2 33 F 0.35673154300949 0.02339820967616 0.41666666666667 18.998 > 3 34 F 0.85673154300949 0.02339820967616 0.41666666666667 18.998 > 3 35 F 0.35673154300949 0.52339820967616 0.41666666666667 18.998 > 3 36 F 0.85673154300949 0.52339820967616 0.41666666666667 18.998 > 3 37 F 0.47660179032384 0.33333333333333 0.41666666666667 18.998 > 4 38 F 0.97660179032384 0.33333333333333 0.41666666666667 18.998 > 4 39 F 0.47660179032384 0.83333333333333 0.41666666666667 18.998 > 4 40 F 0.97660179032384 0.83333333333333 0.41666666666667 18.998 > 4 41 F 0.16666666666667 0.14326845699051 0.41666666666667 18.998 > 5 42 F 0.66666666666667 0.14326845699051 0.41666666666667 18.998 > 5 43 F 0.16666666666667 0.64326845699051 0.41666666666667 18.998 > 5 44 F 0.66666666666667 0.64326845699051 0.41666666666667 18.998 > 5 45 F 0.14326845699051 0.47660179032384 0.58333333333333 18.998 > 6 46 F 0.64326845699051 0.47660179032384 0.58333333333333 18.998 > 6 47 F 0.14326845699051 0.97660179032384 0.58333333333333 18.998 > 6 48 F 0.64326845699051 0.97660179032384 0.58333333333333 18.998 > 6 49 F 0.16666666666667 0.02339820967616 0.91666666666667 18.998 > 1 50 F 0.66666666666667 0.02339820967616 0.91666666666667 18.998 > 1 51 F 0.16666666666667 0.52339820967616 0.91666666666667 18.998 > 1 52 F 0.66666666666667 0.52339820967616 0.91666666666667 18.998 > 1 53 F 0.35673154300949 0.33333333333333 0.91666666666667 18.998 > 2 54 F 0.85673154300949 0.33333333333333 0.91666666666667 18.998 > 2 55 F 0.35673154300949 0.83333333333333 0.91666666666667 18.998 > 2 56 F 0.85673154300949 0.83333333333333 0.91666666666667 18.998 > 2 57 F 0.19006487634282 0.19006487634282 0.75000000000000 18.998 > 3 58 F 0.69006487634282 0.19006487634282 0.75000000000000 18.998 > 3 59 F 0.19006487634282 0.69006487634282 0.75000000000000 18.998 > 3 60 F 0.69006487634282 0.69006487634282 0.75000000000000 18.998 > 3 61 F 0.30993512365718 0.00000000000000 0.75000000000000 18.998 > 4 62 F 0.80993512365718 0.00000000000000 0.75000000000000 18.998 > 4 63 F 0.30993512365718 0.50000000000000 0.75000000000000 18.998 > 4 64 F 0.80993512365718 0.50000000000000 0.75000000000000 18.998 > 4 65 F 0.00000000000000 0.30993512365718 0.75000000000000 18.998 > 5 66 F 0.50000000000000 0.30993512365718 0.75000000000000 18.998 > 5 67 F 0.00000000000000 0.80993512365718 0.75000000000000 18.998 > 5 68 F 0.50000000000000 0.80993512365718 0.75000000000000 18.998 > 5 69 F 0.47660179032384 0.14326845699051 0.91666666666667 18.998 > 6 70 F 0.97660179032384 0.14326845699051 0.91666666666667 18.998 > 6 71 F 0.47660179032384 0.64326845699051 0.91666666666667 18.998 > 6 72 F 0.97660179032384 0.64326845699051 0.91666666666667 18.998 > 6 *73 Ga 0.16666666666667 0.33333333333333 0.16666666666667 69.723 > 7 74 Ga 0.66666666666667 0.33333333333333 0.16666666666667 69.723 > 7 75 Ga 0.16666666666667 0.83333333333333 0.16666666666667 69.723 > 7 76 Ga 0.66666666666667 0.83333333333333 0.16666666666667 69.723 > 7 77 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 8 78 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 8 79 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 8 80 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 8 81 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 7 82 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 7 83 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 7 84 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 7 85 Ga 0.33333333333333 0.16666666666667 0.33333333333333 69.723 > 8 86 Ga 0.83333333333333 0.16666666666667 0.33333333333333 69.723 > 8 87 Ga 0.33333333333333 0.66666666666667 0.33333333333333 69.723 > 8 88 Ga 0.83333333333333 0.66666666666667 0.33333333333333 69.723 > 8 89 Ga 0.33333333333333 0.16666666666667 0.83333333333333 69.723 > 7 90 Ga 0.83333333333333 0.16666666666667 0.83333333333333 69.723 > 7 91 Ga 0.33333333333333 0.66666666666667 0.83333333333333 69.723 > 7 92 Ga 0.83333333333333 0.66666666666667 0.83333333333333 69.723 > 7 93 Ga 0.16666666666667 0.33333333333333 0.66666666666667 69.723 > 8 94 Ga 0.66666666666667 0.33333333333333 0.66666666666667 69.723 > 8 95 Ga 0.16666666666667 0.83333333333333 0.66666666666667 69.723 > 8 96 Ga 0.66666666666667 0.83333333333333 0.66666666666667 69.723 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3311431 0.0000000 0.0000000 0.0000000 2.3311431 0.0000000 0.0000000 0.0000000 2.3624058 -------------------------- Born effective charges -------------------------- 1 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 2 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 3 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 4 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 5 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 6 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 7 Ga 3.1597618 0.3110823 0.0000000 -0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 8 Ga 3.1597618 -0.3110823 0.0000000 0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 ---------------------------------------------------------------------------- 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: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 173 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 173 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:33:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:51]------------------------- Compiled with OpenMP support (max 48 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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.484327400122222 1.434327093215725 4.382409503333329 b -2.484327400122218 1.434327093215725 4.382409503333329 c 0.000000000000002 -2.868654186431455 4.382409503333329 Atomic positions (fractional): 1 F 0.25000000000000 0.63012975268564 0.86987024731436 18.998 2 F 0.63012975268564 0.86987024731436 0.25000000000000 18.998 3 F 0.13012975268564 0.75000000000000 0.36987024731436 18.998 4 F 0.36987024731435 0.13012975268564 0.75000000000000 18.998 5 F 0.75000000000000 0.36987024731436 0.13012975268564 18.998 6 F 0.86987024731436 0.25000000000000 0.63012975268564 18.998 7 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.937309600488881 0.000000000000000 0.000000000000000 b -4.968654800244440 8.605962559294362 0.000000000000000 c 0.000000000000000 0.000000000000000 13.147228510000000 Atomic positions (fractional): 1 F 0.00000000000000 0.19006487634282 0.25000000000000 18.998 > 1 2 F 0.50000000000000 0.19006487634282 0.25000000000000 18.998 > 1 3 F 0.00000000000000 0.69006487634282 0.25000000000000 18.998 > 1 4 F 0.50000000000000 0.69006487634282 0.25000000000000 18.998 > 1 5 F 0.19006487634282 0.00000000000000 0.25000000000000 18.998 > 5 6 F 0.69006487634282 0.00000000000000 0.25000000000000 18.998 > 5 7 F 0.19006487634282 0.50000000000000 0.25000000000000 18.998 > 5 8 F 0.69006487634282 0.50000000000000 0.25000000000000 18.998 > 5 9 F 0.02339820967616 0.35673154300949 0.08333333333333 18.998 > 9 10 F 0.52339820967616 0.35673154300949 0.08333333333333 18.998 > 9 11 F 0.02339820967616 0.85673154300949 0.08333333333333 18.998 > 9 12 F 0.52339820967616 0.85673154300949 0.08333333333333 18.998 > 9 13 F 0.14326845699051 0.16666666666667 0.08333333333333 18.998 > 13 14 F 0.64326845699051 0.16666666666667 0.08333333333333 18.998 > 13 15 F 0.14326845699051 0.66666666666667 0.08333333333333 18.998 > 13 16 F 0.64326845699051 0.66666666666667 0.08333333333333 18.998 > 13 17 F 0.33333333333333 0.47660179032384 0.08333333333333 18.998 > 17 18 F 0.83333333333333 0.47660179032384 0.08333333333333 18.998 > 17 19 F 0.33333333333333 0.97660179032384 0.08333333333333 18.998 > 17 20 F 0.83333333333333 0.97660179032384 0.08333333333333 18.998 > 17 21 F 0.30993512365718 0.30993512365718 0.25000000000000 18.998 > 21 22 F 0.80993512365718 0.30993512365718 0.25000000000000 18.998 > 21 23 F 0.30993512365718 0.80993512365718 0.25000000000000 18.998 > 21 24 F 0.80993512365718 0.80993512365718 0.25000000000000 18.998 > 21 25 F 0.33333333333333 0.35673154300949 0.58333333333333 18.998 > 1 26 F 0.83333333333333 0.35673154300949 0.58333333333333 18.998 > 1 27 F 0.33333333333333 0.85673154300949 0.58333333333333 18.998 > 1 28 F 0.83333333333333 0.85673154300949 0.58333333333333 18.998 > 1 29 F 0.02339820967616 0.16666666666667 0.58333333333333 18.998 > 5 30 F 0.52339820967616 0.16666666666667 0.58333333333333 18.998 > 5 31 F 0.02339820967616 0.66666666666667 0.58333333333333 18.998 > 5 32 F 0.52339820967616 0.66666666666667 0.58333333333333 18.998 > 5 33 F 0.35673154300949 0.02339820967616 0.41666666666667 18.998 > 9 34 F 0.85673154300949 0.02339820967616 0.41666666666667 18.998 > 9 35 F 0.35673154300949 0.52339820967616 0.41666666666667 18.998 > 9 36 F 0.85673154300949 0.52339820967616 0.41666666666667 18.998 > 9 37 F 0.47660179032384 0.33333333333333 0.41666666666667 18.998 > 13 38 F 0.97660179032384 0.33333333333333 0.41666666666667 18.998 > 13 39 F 0.47660179032384 0.83333333333333 0.41666666666667 18.998 > 13 40 F 0.97660179032384 0.83333333333333 0.41666666666667 18.998 > 13 41 F 0.16666666666667 0.14326845699051 0.41666666666667 18.998 > 17 42 F 0.66666666666667 0.14326845699051 0.41666666666667 18.998 > 17 43 F 0.16666666666667 0.64326845699051 0.41666666666667 18.998 > 17 44 F 0.66666666666667 0.64326845699051 0.41666666666667 18.998 > 17 45 F 0.14326845699051 0.47660179032384 0.58333333333333 18.998 > 21 46 F 0.64326845699051 0.47660179032384 0.58333333333333 18.998 > 21 47 F 0.14326845699051 0.97660179032384 0.58333333333333 18.998 > 21 48 F 0.64326845699051 0.97660179032384 0.58333333333333 18.998 > 21 49 F 0.16666666666667 0.02339820967616 0.91666666666667 18.998 > 1 50 F 0.66666666666667 0.02339820967616 0.91666666666667 18.998 > 1 51 F 0.16666666666667 0.52339820967616 0.91666666666667 18.998 > 1 52 F 0.66666666666667 0.52339820967616 0.91666666666667 18.998 > 1 53 F 0.35673154300949 0.33333333333333 0.91666666666667 18.998 > 5 54 F 0.85673154300949 0.33333333333333 0.91666666666667 18.998 > 5 55 F 0.35673154300949 0.83333333333333 0.91666666666667 18.998 > 5 56 F 0.85673154300949 0.83333333333333 0.91666666666667 18.998 > 5 57 F 0.19006487634282 0.19006487634282 0.75000000000000 18.998 > 9 58 F 0.69006487634282 0.19006487634282 0.75000000000000 18.998 > 9 59 F 0.19006487634282 0.69006487634282 0.75000000000000 18.998 > 9 60 F 0.69006487634282 0.69006487634282 0.75000000000000 18.998 > 9 61 F 0.30993512365718 0.00000000000000 0.75000000000000 18.998 > 13 62 F 0.80993512365718 0.00000000000000 0.75000000000000 18.998 > 13 63 F 0.30993512365718 0.50000000000000 0.75000000000000 18.998 > 13 64 F 0.80993512365718 0.50000000000000 0.75000000000000 18.998 > 13 65 F 0.00000000000000 0.30993512365718 0.75000000000000 18.998 > 17 66 F 0.50000000000000 0.30993512365718 0.75000000000000 18.998 > 17 67 F 0.00000000000000 0.80993512365718 0.75000000000000 18.998 > 17 68 F 0.50000000000000 0.80993512365718 0.75000000000000 18.998 > 17 69 F 0.47660179032384 0.14326845699051 0.91666666666667 18.998 > 21 70 F 0.97660179032384 0.14326845699051 0.91666666666667 18.998 > 21 71 F 0.47660179032384 0.64326845699051 0.91666666666667 18.998 > 21 72 F 0.97660179032384 0.64326845699051 0.91666666666667 18.998 > 21 73 Ga 0.16666666666667 0.33333333333333 0.16666666666667 69.723 > 73 74 Ga 0.66666666666667 0.33333333333333 0.16666666666667 69.723 > 73 75 Ga 0.16666666666667 0.83333333333333 0.16666666666667 69.723 > 73 76 Ga 0.66666666666667 0.83333333333333 0.16666666666667 69.723 > 73 77 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 77 78 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 77 79 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 77 80 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 77 81 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 73 82 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 73 83 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 73 84 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 73 85 Ga 0.33333333333333 0.16666666666667 0.33333333333333 69.723 > 77 86 Ga 0.83333333333333 0.16666666666667 0.33333333333333 69.723 > 77 87 Ga 0.33333333333333 0.66666666666667 0.33333333333333 69.723 > 77 88 Ga 0.83333333333333 0.66666666666667 0.33333333333333 69.723 > 77 89 Ga 0.33333333333333 0.16666666666667 0.83333333333333 69.723 > 73 90 Ga 0.83333333333333 0.16666666666667 0.83333333333333 69.723 > 73 91 Ga 0.33333333333333 0.66666666666667 0.83333333333333 69.723 > 73 92 Ga 0.83333333333333 0.66666666666667 0.83333333333333 69.723 > 73 93 Ga 0.16666666666667 0.33333333333333 0.66666666666667 69.723 > 77 94 Ga 0.66666666666667 0.33333333333333 0.66666666666667 69.723 > 77 95 Ga 0.16666666666667 0.83333333333333 0.66666666666667 69.723 > 77 96 Ga 0.66666666666667 0.83333333333333 0.66666666666667 69.723 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3311431 0.0000000 0.0000000 0.0000000 2.3311431 0.0000000 0.0000000 0.0000000 2.3624058 -------------------------- Born effective charges -------------------------- 1 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 2 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 3 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 4 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 5 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 6 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 7 Ga 3.1597618 0.3110823 0.0000000 -0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 8 Ga 3.1597618 -0.3110823 0.0000000 0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 ---------------------------------------------------------------------------- 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[ 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: 0.00000003 (yxz) 0.00000003 (yxz) 0.00000003 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000010 (xy) -0.00000010 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:33:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:56]------------------------- Compiled with OpenMP support (max 48 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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.484327400122222 1.434327093215725 4.382409503333329 b -2.484327400122218 1.434327093215725 4.382409503333329 c 0.000000000000002 -2.868654186431455 4.382409503333329 Atomic positions (fractional): 1 F 0.25000000000000 0.63012975268564 0.86987024731436 18.998 2 F 0.63012975268564 0.86987024731436 0.25000000000000 18.998 3 F 0.13012975268564 0.75000000000000 0.36987024731436 18.998 4 F 0.36987024731435 0.13012975268564 0.75000000000000 18.998 5 F 0.75000000000000 0.36987024731436 0.13012975268564 18.998 6 F 0.86987024731436 0.25000000000000 0.63012975268564 18.998 7 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.937309600488881 0.000000000000000 0.000000000000000 b -4.968654800244440 8.605962559294362 0.000000000000000 c 0.000000000000000 0.000000000000000 13.147228510000000 Atomic positions (fractional): 1 F 0.00000000000000 0.19006487634282 0.25000000000000 18.998 > 1 2 F 0.50000000000000 0.19006487634282 0.25000000000000 18.998 > 1 3 F 0.00000000000000 0.69006487634282 0.25000000000000 18.998 > 1 4 F 0.50000000000000 0.69006487634282 0.25000000000000 18.998 > 1 5 F 0.19006487634282 0.00000000000000 0.25000000000000 18.998 > 5 6 F 0.69006487634282 0.00000000000000 0.25000000000000 18.998 > 5 7 F 0.19006487634282 0.50000000000000 0.25000000000000 18.998 > 5 8 F 0.69006487634282 0.50000000000000 0.25000000000000 18.998 > 5 9 F 0.02339820967616 0.35673154300949 0.08333333333333 18.998 > 9 10 F 0.52339820967616 0.35673154300949 0.08333333333333 18.998 > 9 11 F 0.02339820967616 0.85673154300949 0.08333333333333 18.998 > 9 12 F 0.52339820967616 0.85673154300949 0.08333333333333 18.998 > 9 13 F 0.14326845699051 0.16666666666667 0.08333333333333 18.998 > 13 14 F 0.64326845699051 0.16666666666667 0.08333333333333 18.998 > 13 15 F 0.14326845699051 0.66666666666667 0.08333333333333 18.998 > 13 16 F 0.64326845699051 0.66666666666667 0.08333333333333 18.998 > 13 17 F 0.33333333333333 0.47660179032384 0.08333333333333 18.998 > 17 18 F 0.83333333333333 0.47660179032384 0.08333333333333 18.998 > 17 19 F 0.33333333333333 0.97660179032384 0.08333333333333 18.998 > 17 20 F 0.83333333333333 0.97660179032384 0.08333333333333 18.998 > 17 21 F 0.30993512365718 0.30993512365718 0.25000000000000 18.998 > 21 22 F 0.80993512365718 0.30993512365718 0.25000000000000 18.998 > 21 23 F 0.30993512365718 0.80993512365718 0.25000000000000 18.998 > 21 24 F 0.80993512365718 0.80993512365718 0.25000000000000 18.998 > 21 25 F 0.33333333333333 0.35673154300949 0.58333333333333 18.998 > 1 26 F 0.83333333333333 0.35673154300949 0.58333333333333 18.998 > 1 27 F 0.33333333333333 0.85673154300949 0.58333333333333 18.998 > 1 28 F 0.83333333333333 0.85673154300949 0.58333333333333 18.998 > 1 29 F 0.02339820967616 0.16666666666667 0.58333333333333 18.998 > 5 30 F 0.52339820967616 0.16666666666667 0.58333333333333 18.998 > 5 31 F 0.02339820967616 0.66666666666667 0.58333333333333 18.998 > 5 32 F 0.52339820967616 0.66666666666667 0.58333333333333 18.998 > 5 33 F 0.35673154300949 0.02339820967616 0.41666666666667 18.998 > 9 34 F 0.85673154300949 0.02339820967616 0.41666666666667 18.998 > 9 35 F 0.35673154300949 0.52339820967616 0.41666666666667 18.998 > 9 36 F 0.85673154300949 0.52339820967616 0.41666666666667 18.998 > 9 37 F 0.47660179032384 0.33333333333333 0.41666666666667 18.998 > 13 38 F 0.97660179032384 0.33333333333333 0.41666666666667 18.998 > 13 39 F 0.47660179032384 0.83333333333333 0.41666666666667 18.998 > 13 40 F 0.97660179032384 0.83333333333333 0.41666666666667 18.998 > 13 41 F 0.16666666666667 0.14326845699051 0.41666666666667 18.998 > 17 42 F 0.66666666666667 0.14326845699051 0.41666666666667 18.998 > 17 43 F 0.16666666666667 0.64326845699051 0.41666666666667 18.998 > 17 44 F 0.66666666666667 0.64326845699051 0.41666666666667 18.998 > 17 45 F 0.14326845699051 0.47660179032384 0.58333333333333 18.998 > 21 46 F 0.64326845699051 0.47660179032384 0.58333333333333 18.998 > 21 47 F 0.14326845699051 0.97660179032384 0.58333333333333 18.998 > 21 48 F 0.64326845699051 0.97660179032384 0.58333333333333 18.998 > 21 49 F 0.16666666666667 0.02339820967616 0.91666666666667 18.998 > 1 50 F 0.66666666666667 0.02339820967616 0.91666666666667 18.998 > 1 51 F 0.16666666666667 0.52339820967616 0.91666666666667 18.998 > 1 52 F 0.66666666666667 0.52339820967616 0.91666666666667 18.998 > 1 53 F 0.35673154300949 0.33333333333333 0.91666666666667 18.998 > 5 54 F 0.85673154300949 0.33333333333333 0.91666666666667 18.998 > 5 55 F 0.35673154300949 0.83333333333333 0.91666666666667 18.998 > 5 56 F 0.85673154300949 0.83333333333333 0.91666666666667 18.998 > 5 57 F 0.19006487634282 0.19006487634282 0.75000000000000 18.998 > 9 58 F 0.69006487634282 0.19006487634282 0.75000000000000 18.998 > 9 59 F 0.19006487634282 0.69006487634282 0.75000000000000 18.998 > 9 60 F 0.69006487634282 0.69006487634282 0.75000000000000 18.998 > 9 61 F 0.30993512365718 0.00000000000000 0.75000000000000 18.998 > 13 62 F 0.80993512365718 0.00000000000000 0.75000000000000 18.998 > 13 63 F 0.30993512365718 0.50000000000000 0.75000000000000 18.998 > 13 64 F 0.80993512365718 0.50000000000000 0.75000000000000 18.998 > 13 65 F 0.00000000000000 0.30993512365718 0.75000000000000 18.998 > 17 66 F 0.50000000000000 0.30993512365718 0.75000000000000 18.998 > 17 67 F 0.00000000000000 0.80993512365718 0.75000000000000 18.998 > 17 68 F 0.50000000000000 0.80993512365718 0.75000000000000 18.998 > 17 69 F 0.47660179032384 0.14326845699051 0.91666666666667 18.998 > 21 70 F 0.97660179032384 0.14326845699051 0.91666666666667 18.998 > 21 71 F 0.47660179032384 0.64326845699051 0.91666666666667 18.998 > 21 72 F 0.97660179032384 0.64326845699051 0.91666666666667 18.998 > 21 73 Ga 0.16666666666667 0.33333333333333 0.16666666666667 69.723 > 73 74 Ga 0.66666666666667 0.33333333333333 0.16666666666667 69.723 > 73 75 Ga 0.16666666666667 0.83333333333333 0.16666666666667 69.723 > 73 76 Ga 0.66666666666667 0.83333333333333 0.16666666666667 69.723 > 73 77 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 77 78 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 77 79 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 77 80 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 77 81 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 73 82 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 73 83 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 73 84 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 73 85 Ga 0.33333333333333 0.16666666666667 0.33333333333333 69.723 > 77 86 Ga 0.83333333333333 0.16666666666667 0.33333333333333 69.723 > 77 87 Ga 0.33333333333333 0.66666666666667 0.33333333333333 69.723 > 77 88 Ga 0.83333333333333 0.66666666666667 0.33333333333333 69.723 > 77 89 Ga 0.33333333333333 0.16666666666667 0.83333333333333 69.723 > 73 90 Ga 0.83333333333333 0.16666666666667 0.83333333333333 69.723 > 73 91 Ga 0.33333333333333 0.66666666666667 0.83333333333333 69.723 > 73 92 Ga 0.83333333333333 0.66666666666667 0.83333333333333 69.723 > 73 93 Ga 0.16666666666667 0.33333333333333 0.66666666666667 69.723 > 77 94 Ga 0.66666666666667 0.33333333333333 0.66666666666667 69.723 > 77 95 Ga 0.16666666666667 0.83333333333333 0.66666666666667 69.723 > 77 96 Ga 0.66666666666667 0.83333333333333 0.66666666666667 69.723 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3311431 0.0000000 0.0000000 0.0000000 2.3311431 0.0000000 0.0000000 0.0000000 2.3624058 -------------------------- Born effective charges -------------------------- 1 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 2 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 3 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 4 F -0.7361135 -0.0000000 -0.0000000 0.0000000 -1.3703944 -0.5337751 -0.0000000 -0.5313755 -1.0912958 5 F -1.2118242 -0.2746517 0.4622628 -0.2746517 -0.8946837 0.2668875 0.4601847 0.2656877 -1.0912958 6 F -1.2118242 0.2746517 -0.4622628 0.2746517 -0.8946837 0.2668875 -0.4601847 0.2656877 -1.0912958 7 Ga 3.1597618 0.3110823 0.0000000 -0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 8 Ga 3.1597618 -0.3110823 0.0000000 0.3110823 3.1597618 0.0000000 -0.0000000 0.0000000 3.2738873 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yxz) 0.00000003 (yxz) 0.00000003 (yzx) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 12 12 12 ] 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: 0.91, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 189 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 4.110 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 16.001 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 0.000) 0.000 19.160 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 26.714 15.424 26.581) 40.720 0.773 ( 39.684 22.912 -19.225) 49.693 0.868 ( 27.970 16.148 35.360) 47.890 4.096 ( -0.739 -0.427 -0.703) 1.106 4.121 ( 0.725 0.418 1.777) 1.964 5.231 ( 1.378 0.796 -1.811) 2.410 5.430 ( 4.533 2.617 -0.486) 5.257 6.096 ( 1.312 0.758 6.465) 6.640 6.239 ( -3.708 -2.141 2.212) 4.819 6.563 ( 1.874 1.082 -0.310) 2.186 6.740 ( -3.233 -1.866 1.863) 4.172 7.723 ( -0.760 -0.439 22.964) 22.981 8.616 ( -2.539 -1.466 -1.550) 3.316 9.581 ( -1.209 -0.698 -1.860) 2.325 9.600 ( 0.165 0.095 -0.828) 0.849 10.443 ( -3.793 -2.190 7.177) 8.408 10.561 ( -8.645 -4.991 -2.894) 10.394 11.603 ( 5.032 2.905 -34.172) 34.663 12.050 ( 7.690 4.440 10.872) 14.037 12.061 ( 13.321 7.691 -3.334) 15.739 15.999 ( -8.342 -4.816 13.779) 16.812 16.373 ( -3.688 -2.129 -4.821) 6.432 19.124 ( -1.453 -0.839 2.654) 3.140 19.155 ( -0.384 -0.222 -0.075) 0.450 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 37.204 21.480 -16.229) 45.922 1.524 ( 25.657 14.813 25.157) 38.866 1.681 ( 25.607 14.784 30.855) 42.735 4.083 ( 0.263 0.152 -0.772) 0.830 4.179 ( 2.886 1.666 4.703) 5.764 5.230 ( -0.412 -0.238 -3.763) 3.793 5.536 ( 1.551 0.896 9.569) 9.736 6.121 ( -7.684 -4.437 0.921) 8.921 6.226 ( 10.054 5.804 -3.892) 12.244 6.647 ( 5.050 2.916 2.513) 6.350 6.663 ( -4.322 -2.496 1.400) 5.184 7.895 ( 5.763 3.327 12.012) 13.732 8.512 ( -5.323 -3.073 -3.830) 7.242 9.525 ( -1.936 -1.118 -4.323) 4.867 9.594 ( -0.541 -0.312 -0.219) 0.662 10.273 ( -15.651 -9.036 6.965) 19.368 10.419 ( -2.112 -1.220 0.220) 2.449 11.488 ( 0.571 0.329 -22.098) 22.108 12.362 ( 11.532 6.658 19.351) 23.490 12.418 ( 20.328 11.736 -5.484) 24.105 15.852 ( -10.804 -6.238 7.420) 14.515 16.204 ( -7.289 -4.208 -9.641) 12.798 19.102 ( -1.566 -0.904 1.384) 2.277 19.141 ( -0.755 -0.436 -0.258) 0.909 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 31.857 18.393 -9.237) 37.928 2.223 ( 23.076 13.323 22.063) 34.595 2.390 ( 22.867 13.202 21.229) 33.880 4.103 ( 1.743 1.006 -0.268) 2.030 4.313 ( 5.452 3.148 7.516) 9.804 5.156 ( -3.660 -2.113 -4.829) 6.417 5.603 ( -1.740 -1.005 12.076) 12.242 5.922 ( -9.642 -5.567 -0.859) 11.167 6.492 ( 16.276 9.397 -10.189) 21.378 6.585 ( -2.482 -1.433 3.005) 4.152 6.802 ( 6.090 3.516 4.576) 8.390 8.116 ( 7.093 4.095 11.617) 14.214 8.330 ( -7.894 -4.558 -6.830) 11.390 9.446 ( -1.480 -0.854 -8.021) 8.201 9.565 ( -2.837 -1.638 2.415) 4.070 9.941 ( -16.351 -9.440 2.921) 19.105 10.392 ( -1.894 -1.094 6.088) 6.469 11.343 ( -1.929 -1.113 -19.111) 19.241 12.803 ( 15.036 8.681 25.169) 30.577 12.878 ( 23.961 13.834 -6.860) 28.506 15.612 ( -14.331 -8.274 5.873) 17.559 15.926 ( -10.711 -6.184 -14.418) 18.996 19.074 ( -1.560 -0.901 1.099) 2.110 19.118 ( -1.032 -0.596 -0.568) 1.320 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 20.619 11.904 5.405) 24.415 2.811 ( 18.005 10.395 16.262) 26.395 2.981 ( 23.537 13.589 3.178) 27.364 4.142 ( 0.875 0.505 0.728) 1.245 4.497 ( 5.964 3.443 8.119) 10.647 5.018 ( -5.565 -3.213 -4.657) 7.936 5.615 ( -3.206 -1.851 9.315) 10.024 5.702 ( -8.814 -5.089 -1.461) 10.282 6.544 ( 1.215 0.702 -0.686) 1.562 6.866 ( 18.456 10.655 -5.430) 21.992 6.943 ( 3.252 1.878 4.127) 5.580 8.082 ( -9.323 -5.383 -9.298) 14.224 8.353 ( 6.520 3.764 14.842) 16.642 9.368 ( 0.877 0.506 -13.441) 13.479 9.482 ( -6.049 -3.493 -1.671) 7.182 9.601 ( -16.089 -9.289 9.279) 20.766 10.423 ( 0.709 0.409 8.608) 8.647 11.158 ( -4.130 -2.384 -17.732) 18.362 13.340 ( 17.520 10.115 28.220) 34.723 13.389 ( 25.558 14.756 -7.600) 30.475 15.288 ( -17.863 -10.313 5.750) 21.413 15.545 ( -13.818 -7.978 -19.010) 24.819 19.050 ( -1.198 -0.691 1.114) 1.776 19.089 ( -1.082 -0.625 -0.918) 1.550 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 8.755 5.055 11.406) 15.242 3.205 ( 9.995 5.771 6.938) 13.466 3.491 ( 22.839 13.186 -7.006) 27.287 4.109 ( -5.837 -3.370 2.735) 7.273 4.658 ( 4.025 2.324 6.631) 8.098 4.873 ( -4.372 -2.524 -4.342) 6.659 5.541 ( -4.344 -2.508 -0.542) 5.046 5.575 ( -3.864 -2.231 3.451) 5.641 6.635 ( 6.106 3.526 3.437) 7.844 6.966 ( -3.081 -1.779 0.984) 3.691 7.234 ( 16.530 9.544 -3.709) 19.444 7.812 ( -9.551 -5.514 -8.237) 13.765 8.600 ( 6.319 3.648 18.545) 19.928 9.202 ( -10.787 -6.228 -15.108) 19.581 9.326 ( 5.080 2.933 -19.871) 20.719 9.430 ( -11.331 -6.542 23.514) 26.909 10.535 ( 3.699 2.136 10.933) 11.738 10.940 ( -5.543 -3.200 -16.095) 17.321 13.912 ( 25.348 14.635 -7.796) 30.290 13.927 ( 18.353 10.596 28.625) 35.616 14.891 ( -20.933 -12.086 6.227) 24.961 15.073 ( -16.330 -9.428 -23.066) 29.793 19.037 ( -0.539 -0.311 1.223) 1.372 19.061 ( -0.801 -0.462 -1.181) 1.500 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 0.497 0.287 -4.126) 4.166 3.331 ( -0.497 -0.287 4.126) 4.166 3.890 ( -15.982 -9.227 5.865) 19.364 3.890 ( 15.982 9.227 -5.865) 19.364 4.768 ( -2.809 -1.622 -5.176) 6.108 4.768 ( 2.809 1.622 5.176) 6.108 5.513 ( -1.631 -0.942 -0.108) 1.886 5.513 ( 1.631 0.942 0.108) 1.886 6.827 ( -7.783 -4.494 -3.353) 9.592 6.827 ( 7.783 4.494 3.353) 9.592 7.546 ( -11.891 -6.866 -2.088) 13.889 7.546 ( 11.891 6.866 2.088) 13.889 8.879 ( -8.243 -4.759 -18.612) 20.905 8.879 ( 8.243 4.759 18.612) 20.905 9.348 ( 9.308 5.374 -24.094) 26.383 9.348 ( -9.308 -5.374 24.094) 26.383 10.719 ( -5.486 -3.167 -13.674) 15.070 10.719 ( 5.486 3.167 13.674) 15.070 14.388 ( 15.456 8.924 -12.704) 21.907 14.388 ( -15.456 -8.924 12.704) 21.907 14.556 ( -9.754 -5.632 -21.016) 23.844 14.556 ( 9.754 5.632 21.016) 23.844 19.041 ( -0.207 -0.120 -1.278) 1.300 19.041 ( 0.207 0.120 1.278) 1.300 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -0.000 21.461 11.832) 24.506 0.579 ( -0.000 17.369 18.316) 25.241 1.389 ( -0.000 44.077 38.033) 58.217 4.140 ( -0.000 0.947 3.857) 3.971 4.146 ( -0.000 2.532 1.848) 3.134 5.280 ( -0.000 4.024 3.093) 5.075 5.317 ( 0.000 3.682 -6.656) 7.607 6.123 ( -0.000 -6.541 8.241) 10.521 6.213 ( -0.000 -6.030 -0.394) 6.042 6.546 ( 0.000 1.415 -2.056) 2.496 6.763 ( -0.000 -1.654 1.967) 2.570 7.975 ( -0.000 -11.792 35.340) 37.255 8.603 ( 0.000 -2.880 -2.945) 4.119 9.597 ( 0.000 0.427 -1.188) 1.262 9.603 ( -0.000 0.970 0.496) 1.089 10.209 ( 0.000 -17.347 -14.420) 22.558 10.648 ( -0.000 -1.012 3.526) 3.669 11.489 ( 0.000 26.590 -34.275) 43.380 11.914 ( -0.000 -0.395 1.014) 1.088 12.230 ( -0.000 19.989 14.177) 24.506 16.136 ( -0.000 -10.200 14.245) 17.520 16.410 ( 0.000 -1.349 -0.936) 1.641 19.046 ( 0.000 -9.156 -2.495) 9.490 19.152 ( 0.000 -0.742 -0.361) 0.825 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 27.233 25.716 -6.952) 38.095 1.161 ( 28.964 3.835 27.402) 40.056 2.068 ( 4.041 39.191 34.279) 52.224 4.140 ( -4.129 3.828 1.719) 5.887 4.199 ( 1.388 2.175 6.945) 7.409 5.243 ( -2.736 1.742 -1.640) 3.634 5.500 ( 9.913 1.890 5.174) 11.340 6.114 ( 1.243 -2.095 0.306) 2.455 6.135 ( 0.132 -7.669 -3.855) 8.584 6.581 ( 3.485 0.806 0.349) 3.594 6.743 ( -2.462 0.054 2.323) 3.385 8.029 ( -4.085 1.180 20.082) 20.527 8.518 ( -3.023 -4.440 -5.040) 7.366 9.489 ( -4.685 -4.063 -0.815) 6.254 9.664 ( -0.745 5.445 -2.397) 5.996 10.079 ( 13.562 -21.788 -12.844) 28.698 10.563 ( -11.337 -1.942 9.653) 15.016 11.494 ( -4.831 17.842 -21.502) 28.355 12.059 ( 15.845 -1.093 2.371) 16.058 12.589 ( 3.992 24.879 17.434) 30.641 16.037 ( -10.176 -7.829 12.097) 17.640 16.279 ( -9.808 0.163 -7.116) 12.119 18.990 ( 6.353 -10.352 -5.196) 13.211 19.136 ( -0.180 -1.506 -0.933) 1.781 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 32.097 23.393 -10.853) 41.173 1.866 ( 31.528 -0.016 25.892) 40.797 2.683 ( 3.828 31.969 28.104) 42.738 4.135 ( -2.163 4.299 2.125) 5.260 4.323 ( 3.664 3.841 9.392) 10.788 5.183 ( -4.075 -0.426 -2.486) 4.793 5.667 ( 2.227 -2.445 12.180) 12.621 5.957 ( -5.192 -10.869 -2.004) 12.211 6.234 ( 13.792 6.219 -13.511) 20.284 6.620 ( -0.803 -2.008 3.490) 4.105 6.779 ( 3.746 4.578 1.956) 6.231 8.144 ( 3.028 2.347 12.438) 13.015 8.350 ( -6.065 -5.823 -7.980) 11.592 9.369 ( -2.124 -7.364 -1.468) 7.804 9.619 ( -2.341 -3.793 -7.724) 8.917 10.032 ( 1.488 -2.992 -6.230) 7.069 10.422 ( -7.524 -8.089 16.386) 19.762 11.412 ( -9.291 14.891 -16.376) 24.005 12.411 ( 24.461 -1.064 2.927) 24.658 13.052 ( 6.353 28.083 19.778) 34.931 15.804 ( -15.540 -11.201 11.241) 22.211 16.031 ( -12.671 1.740 -13.426) 18.543 18.971 ( 6.691 -9.652 -5.206) 12.846 19.105 ( -0.119 -2.419 -1.791) 3.012 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 29.884 17.863 -5.753) 35.288 2.522 ( 28.680 2.091 17.787) 33.813 3.150 ( 1.448 23.007 19.864) 30.430 4.174 ( -0.758 4.292 3.149) 5.377 4.500 ( 4.828 4.235 9.862) 11.768 5.065 ( -6.255 -1.921 -2.824) 7.127 5.656 ( -2.234 -9.963 1.405) 10.306 5.769 ( -6.422 -5.151 3.348) 8.887 6.461 ( 10.881 1.482 -4.705) 11.947 6.670 ( 8.642 7.755 -3.590) 12.154 6.915 ( 5.130 2.118 2.093) 5.931 8.101 ( -7.739 -6.848 -11.032) 15.116 8.331 ( 8.464 -0.083 9.921) 13.041 9.260 ( -0.868 -6.877 -2.788) 7.471 9.425 ( -2.874 -13.342 -11.459) 17.821 9.942 ( -15.522 7.496 6.487) 18.418 10.419 ( 3.350 -5.113 14.738) 15.955 11.268 ( -12.510 13.184 -13.830) 22.838 12.875 ( 29.217 -0.613 2.779) 29.355 13.584 ( 7.873 29.427 21.429) 37.245 15.445 ( -17.447 -15.881 5.029) 24.123 15.721 ( -17.068 2.900 -12.803) 21.532 18.960 ( 6.011 -8.208 -4.366) 11.071 19.064 ( 0.291 -3.343 -2.811) 4.377 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 19.242 3.792 11.932) 22.957 3.107 ( 25.821 14.161 -2.709) 29.573 3.415 ( -1.341 12.215 9.581) 15.582 4.199 ( -3.708 1.195 4.375) 5.858 4.670 ( 3.744 3.470 7.804) 9.325 4.918 ( -6.372 -1.885 -2.400) 7.065 5.498 ( -0.270 -10.755 -4.507) 11.664 5.650 ( -6.602 -3.462 2.140) 7.756 6.585 ( 5.574 0.972 5.589) 7.953 6.967 ( 2.987 -1.167 -1.924) 3.740 6.997 ( 16.621 9.201 -6.165) 19.973 7.834 ( -7.363 -5.820 -11.375) 14.747 8.556 ( 12.527 -2.930 9.206) 15.820 9.143 ( -6.886 -10.128 -10.969) 16.441 9.181 ( 1.605 -5.543 -7.521) 9.480 9.763 ( -16.796 -1.085 15.457) 22.851 10.587 ( 4.195 6.516 13.388) 15.469 11.076 ( -14.757 11.357 -11.774) 22.031 13.399 ( 31.409 0.094 1.860) 31.464 14.143 ( 8.376 28.513 22.075) 37.020 14.985 ( -17.897 -18.835 -2.633) 26.115 15.351 ( -22.104 2.737 -9.194) 24.096 18.960 ( 5.419 -6.487 -3.304) 9.075 19.018 ( 1.145 -4.138 -3.794) 5.729 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 5.333 3.334 5.013) 8.043 3.408 ( -5.440 1.285 3.243) 6.462 3.649 ( 20.428 11.599 -5.841) 24.207 4.086 ( -11.396 -5.969 6.638) 14.476 4.766 ( -0.115 0.615 -1.724) 1.834 4.822 ( -3.102 2.255 4.566) 5.963 5.428 ( 4.534 -5.461 -4.211) 8.253 5.516 ( -3.663 -4.985 -0.793) 6.237 6.754 ( 7.317 3.052 4.235) 8.989 6.858 ( -4.969 -7.436 -4.046) 9.816 7.370 ( 17.546 8.501 -2.233) 19.625 7.611 ( -6.509 -5.239 -6.640) 10.672 8.752 ( 6.993 -8.143 -9.940) 14.629 8.908 ( -0.243 -4.176 7.722) 8.783 9.144 ( 2.799 3.664 -13.985) 14.725 9.582 ( -11.309 -9.101 19.607) 24.396 10.830 ( 0.760 13.821 11.664) 18.101 10.854 ( -13.512 8.160 -6.742) 17.164 13.937 ( 30.699 0.857 0.012) 30.711 14.424 ( -16.092 -18.824 -6.221) 25.535 14.718 ( 6.272 24.576 19.289) 31.865 14.919 ( -26.128 1.816 -5.445) 26.751 18.975 ( 4.764 -4.687 -2.457) 7.120 18.978 ( 2.596 -4.708 -4.349) 6.915 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -11.087 -10.525 -10.131) 18.339 3.369 ( -8.075 4.043 -2.242) 9.305 3.765 ( -15.898 -11.415 6.132) 20.510 4.033 ( 8.468 8.674 1.851) 12.263 4.682 ( -4.834 -0.696 -5.107) 7.066 4.878 ( 1.087 2.814 4.876) 5.734 5.443 ( 5.347 -3.793 -2.323) 6.955 5.484 ( 4.520 -0.821 -3.984) 6.081 6.652 ( -4.766 -7.709 -4.502) 10.120 6.917 ( 4.696 2.793 0.812) 5.524 7.391 ( -10.395 -7.461 -1.033) 12.837 7.710 ( 13.953 5.797 3.845) 15.591 8.537 ( -4.997 -4.811 -17.094) 18.448 9.128 ( 13.693 -3.682 8.052) 16.306 9.169 ( 4.637 7.168 -10.620) 13.625 9.487 ( -2.926 -8.127 16.769) 18.863 10.622 ( -13.577 4.992 -6.705) 15.945 11.096 ( 0.984 15.226 15.041) 21.425 13.843 ( -17.413 -20.471 -14.331) 30.458 14.392 ( -13.301 -0.169 0.860) 13.329 14.508 ( 12.158 1.907 -3.005) 12.669 15.214 ( 7.289 23.122 19.944) 31.393 18.952 ( 3.861 -4.992 -4.980) 8.039 19.006 ( 4.431 -3.012 -1.349) 5.525 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -14.225 -20.238 -16.731) 29.864 3.125 ( -20.135 2.583 -8.326) 21.941 3.356 ( -25.087 -9.865 8.141) 28.160 4.175 ( -0.473 3.721 2.171) 4.334 4.531 ( -6.905 -2.539 -5.983) 9.483 4.990 ( 5.178 3.592 4.239) 7.595 5.511 ( 3.730 -0.370 -7.188) 8.107 5.557 ( 10.584 0.114 -1.943) 10.762 6.530 ( -0.255 -4.942 -0.585) 4.983 6.955 ( -1.672 0.761 -2.508) 3.109 7.092 ( -15.946 -8.582 2.139) 18.235 8.004 ( 11.585 4.121 6.217) 13.779 8.325 ( -4.924 -2.247 -13.354) 14.409 9.211 ( 8.551 -2.236 -9.535) 13.002 9.422 ( 11.931 -1.724 14.770) 19.065 9.552 ( 4.430 6.334 1.137) 7.813 10.417 ( -8.927 -1.000 -3.673) 9.705 11.339 ( -0.538 14.453 14.564) 20.525 13.265 ( -16.644 -19.212 -15.434) 29.738 13.897 ( -31.411 -0.342 -0.536) 31.418 14.948 ( 25.237 2.003 -0.883) 25.332 15.648 ( 6.155 18.654 16.982) 25.967 18.948 ( 5.143 -4.962 -4.996) 8.719 19.046 ( 3.710 -1.626 -0.689) 4.108 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -17.366 -24.429 -19.466) 35.740 2.669 ( -28.877 -2.891 -3.202) 29.198 2.835 ( -32.431 -3.701 0.122) 32.642 4.163 ( -4.004 1.367 2.284) 4.808 4.346 ( -6.814 -2.865 -5.677) 9.320 5.146 ( 4.908 3.063 5.222) 7.794 5.502 ( 2.214 0.251 -9.996) 10.241 5.758 ( 12.810 0.415 -0.603) 12.831 6.523 ( 3.045 -2.325 -0.238) 3.838 6.739 ( -17.845 -7.239 3.107) 19.506 6.866 ( -6.410 -0.214 -2.647) 6.939 8.144 ( -6.229 -1.666 -7.801) 10.121 8.257 ( 9.620 3.101 4.513) 11.069 9.287 ( 9.326 -5.866 -1.349) 11.100 9.653 ( 4.103 1.567 12.192) 12.959 9.762 ( 11.830 15.507 -11.759) 22.775 10.271 ( -0.684 -9.679 0.782) 9.734 11.537 ( -1.663 12.125 12.983) 17.842 12.737 ( -14.377 -16.015 -13.665) 25.494 13.363 ( -31.271 -0.747 0.303) 31.281 15.347 ( 20.562 2.267 -1.324) 20.728 15.991 ( 4.967 13.296 12.672) 19.027 18.965 ( 5.822 -4.460 -4.482) 8.595 19.087 ( 2.797 -0.654 -0.278) 2.885 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -21.199 -20.995 -16.594) 34.140 2.083 ( -35.476 -5.665 3.019) 36.052 2.202 ( -38.584 0.679 -6.400) 39.117 4.126 ( -2.988 1.202 1.382) 3.505 4.202 ( -4.172 -1.562 -2.635) 5.175 5.255 ( 1.557 1.330 4.464) 4.911 5.467 ( 0.754 -0.750 -7.774) 7.847 5.960 ( 11.334 -0.279 -1.261) 11.407 6.414 ( -15.066 -1.818 -0.349) 15.179 6.564 ( 3.381 -3.521 1.158) 5.017 6.745 ( -5.953 1.014 -0.931) 6.110 7.968 ( -8.852 -0.761 -3.924) 9.713 8.447 ( 7.516 1.596 2.200) 7.992 9.389 ( 8.580 -4.073 0.613) 9.517 9.736 ( -4.827 5.669 4.783) 8.850 10.056 ( 14.376 16.297 -16.239) 27.129 10.240 ( 8.972 -17.282 9.786) 21.792 11.683 ( -1.749 8.846 10.045) 13.498 12.315 ( -11.366 -11.116 -8.779) 18.161 12.851 ( -28.882 -0.563 0.390) 28.890 15.658 ( 15.008 1.931 -1.466) 15.203 16.229 ( 4.126 6.996 6.962) 10.698 18.999 ( 5.493 -3.050 -3.087) 7.001 19.122 ( 1.834 -0.125 -0.068) 1.840 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -25.065 -0.000 0.000) 25.065 1.426 ( -40.129 -0.000 0.000) 40.129 1.494 ( -42.803 -0.000 0.000) 42.803 4.105 ( -0.735 -0.000 0.000) 0.735 4.141 ( -1.961 -0.000 0.000) 1.961 5.275 ( -1.616 -0.000 0.000) 1.616 5.430 ( -0.700 -0.000 0.000) 0.700 6.094 ( 3.827 0.000 -0.000) 3.827 6.214 ( -5.757 -0.000 0.000) 5.757 6.576 ( -0.345 -0.000 0.000) 0.345 6.704 ( 0.678 0.000 -0.000) 0.678 7.789 ( -10.028 -0.000 0.000) 10.028 8.566 ( 4.970 0.000 -0.000) 4.970 9.496 ( 6.195 0.000 -0.000) 6.195 9.686 ( -5.174 -0.000 0.000) 5.174 10.293 ( 9.374 0.000 -0.000) 9.374 10.381 ( 13.948 0.000 -0.000) 13.948 11.757 ( -0.378 -0.000 0.000) 0.378 12.055 ( -8.282 -0.000 0.000) 8.282 12.402 ( -24.009 -0.000 0.000) 24.009 15.864 ( 8.956 0.000 -0.000) 8.956 16.351 ( 3.767 0.000 -0.000) 3.767 19.053 ( 4.023 0.000 -0.000) 4.023 19.145 ( 0.996 0.000 -0.000) 0.996 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.000 19.847 10.811) 22.601 1.127 ( -0.000 15.854 16.925) 23.190 2.620 ( -0.000 36.160 31.599) 48.021 4.254 ( -0.000 5.001 3.474) 6.090 4.261 ( -0.000 4.105 7.876) 8.881 5.306 ( 0.000 0.600 -1.023) 1.186 5.424 ( -0.000 4.831 4.976) 6.935 5.999 ( 0.000 -13.369 -5.027) 14.283 6.092 ( -0.000 -3.276 1.918) 3.796 6.562 ( 0.000 2.675 -1.682) 3.160 6.780 ( -0.000 1.104 1.855) 2.159 8.171 ( -0.000 -4.314 15.319) 15.915 8.458 ( 0.000 -6.017 -6.782) 9.067 9.489 ( 0.000 -20.693 -11.535) 23.691 9.657 ( 0.000 -3.692 -8.938) 9.671 9.729 ( -0.000 9.232 7.444) 11.859 10.714 ( -0.000 1.273 5.085) 5.242 11.600 ( 0.000 15.588 -12.921) 20.247 11.922 ( -0.000 -0.592 1.820) 1.914 12.942 ( -0.000 28.704 21.414) 35.812 16.114 ( -0.000 -5.381 6.105) 8.137 16.359 ( 0.000 -2.140 -1.424) 2.571 18.740 ( 0.000 -14.369 -9.440) 17.192 19.107 ( 0.000 -2.928 -1.960) 3.523 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 19.056 23.184 -1.087) 30.030 1.595 ( 21.718 6.847 23.437) 32.678 3.130 ( 0.124 29.694 25.863) 39.378 4.276 ( -4.981 6.505 3.726) 9.001 4.385 ( 1.868 5.676 10.044) 11.687 5.255 ( -4.796 0.423 1.242) 4.972 5.617 ( 8.678 -1.346 9.079) 12.632 5.821 ( 2.623 -14.334 -9.365) 17.322 6.071 ( 1.391 0.196 -4.847) 5.046 6.608 ( 2.725 1.396 0.537) 3.108 6.801 ( -0.494 3.369 0.835) 3.506 8.178 ( -0.483 -5.761 7.797) 9.706 8.311 ( -3.311 -7.630 -9.513) 12.637 9.194 ( 4.216 -23.550 -12.562) 27.022 9.573 ( -5.618 0.400 -3.511) 6.637 9.988 ( 7.205 13.759 9.028) 17.964 10.654 ( -11.259 -0.414 7.981) 13.807 11.620 ( -6.378 14.557 -9.636) 18.586 12.072 ( 15.935 -0.804 2.559) 16.160 13.400 ( 2.897 30.938 23.383) 38.889 16.024 ( -10.005 -7.779 10.086) 16.197 16.190 ( -13.378 0.946 -8.694) 15.983 18.629 ( 10.990 -15.794 -10.721) 22.027 19.055 ( 0.160 -4.535 -3.294) 5.608 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 27.084 22.367 -7.109) 35.838 2.206 ( 26.767 1.763 24.212) 36.136 3.501 ( -2.368 21.089 18.064) 27.869 4.292 ( -3.780 6.888 4.241) 8.929 4.548 ( 2.703 6.154 9.892) 11.960 5.163 ( -7.358 -1.177 2.213) 7.773 5.515 ( -0.552 -19.147 -7.454) 20.555 5.848 ( -1.314 -2.953 9.080) 9.638 6.182 ( 16.947 5.370 -9.952) 20.373 6.657 ( 0.926 2.591 0.430) 2.785 6.854 ( 3.310 1.922 -1.050) 3.969 8.070 ( -5.811 -8.324 -11.267) 15.166 8.200 ( 6.028 -7.762 1.969) 10.023 9.011 ( 7.719 -21.629 -9.567) 24.878 9.436 ( -9.309 0.960 -1.227) 9.438 10.277 ( -3.001 19.186 5.742) 20.251 10.501 ( -7.758 -3.691 15.684) 17.883 11.553 ( -11.625 14.114 -7.340) 19.704 12.430 ( 24.676 -0.467 2.407) 24.797 13.921 ( 4.730 31.539 24.132) 39.993 15.698 ( -23.126 -12.240 8.089) 27.387 15.930 ( -12.595 3.764 -11.242) 17.297 18.633 ( 13.957 -14.534 -9.530) 22.291 18.984 ( 0.719 -6.129 -4.783) 7.808 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 27.319 18.594 -6.188) 33.620 2.799 ( 24.868 1.666 19.329) 31.540 3.672 ( -6.840 11.125 9.430) 16.109 4.307 ( -3.702 2.186 2.941) 5.208 4.703 ( 2.212 5.843 6.099) 8.731 5.023 ( -7.952 -2.731 3.298) 9.031 5.306 ( 2.542 -14.952 -7.523) 16.930 5.760 ( -8.412 -2.710 1.589) 8.979 6.500 ( 13.715 0.970 6.917) 15.391 6.765 ( 10.641 9.963 -8.184) 16.718 6.887 ( 2.801 -4.905 -3.667) 6.734 7.812 ( -6.352 -6.653 -12.346) 15.396 8.289 ( 12.903 -8.778 -0.006) 15.606 8.890 ( 6.829 -18.271 -7.600) 20.934 9.284 ( -10.038 2.600 0.841) 10.403 10.145 ( -19.463 0.692 7.899) 21.016 10.711 ( 4.693 14.683 16.071) 22.269 11.415 ( -15.885 13.461 -5.298) 21.485 12.899 ( 29.369 -0.021 1.924) 29.432 14.459 ( 5.255 29.864 23.340) 38.265 15.185 ( -25.156 -12.906 -0.227) 28.275 15.657 ( -17.154 2.278 -6.674) 18.547 18.681 ( 13.175 -11.791 -7.457) 19.189 18.903 ( 1.774 -7.476 -6.160) 9.848 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 15.099 5.162 10.650) 19.185 3.340 ( 24.965 12.643 -2.852) 28.129 3.581 ( -12.388 -2.073 -1.236) 12.621 4.228 ( -6.650 -5.076 4.885) 9.688 4.765 ( -0.693 1.751 -3.316) 3.813 4.957 ( -4.433 3.966 7.817) 9.823 5.236 ( 6.257 -6.907 -4.195) 10.220 5.564 ( -9.407 -5.464 -0.813) 10.910 6.711 ( 5.505 2.746 7.220) 9.486 6.787 ( -0.952 -10.379 -6.234) 12.145 7.107 ( 20.658 9.313 -5.678) 23.361 7.594 ( -4.263 -5.464 -9.574) 11.819 8.437 ( 13.731 -6.597 -5.351) 16.146 8.790 ( 5.045 -13.767 -2.990) 14.964 9.187 ( -5.898 4.648 1.084) 7.587 9.855 ( -18.473 -4.949 9.759) 21.470 11.024 ( 2.218 15.070 12.620) 19.780 11.227 ( -18.263 14.295 -1.166) 23.222 13.423 ( 31.315 0.352 1.151) 31.338 14.565 ( -23.802 -13.744 -4.832) 27.907 15.014 ( 4.018 26.636 20.989) 34.149 15.311 ( -22.073 1.375 -4.113) 22.495 18.749 ( 11.524 -8.600 -5.267) 15.314 18.826 ( 3.310 -8.315 -7.095) 11.421 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -15.388 -12.554 -11.491) 22.944 3.493 ( 0.636 4.948 4.791) 6.917 3.753 ( 11.061 3.997 -3.950) 12.407 4.104 ( -4.594 -2.174 11.915) 12.953 4.729 ( -3.218 3.035 -5.798) 7.293 4.960 ( -3.892 1.834 4.494) 6.222 5.298 ( 5.474 0.114 -4.178) 6.887 5.392 ( -0.849 -6.865 0.622) 6.945 6.591 ( -2.776 -10.247 -6.270) 12.330 6.879 ( 5.063 3.834 3.087) 7.061 7.415 ( -2.292 -5.441 -6.135) 8.514 7.511 ( 16.934 4.920 0.909) 17.657 8.449 ( 0.082 -3.330 -11.931) 12.387 8.846 ( 14.399 -7.506 0.558) 16.247 9.194 ( -0.267 5.835 1.188) 5.961 9.588 ( -11.768 -8.420 10.114) 17.654 10.946 ( -18.371 7.004 -2.497) 19.819 11.349 ( -0.614 18.428 13.889) 23.084 13.884 ( 1.117 -7.277 -7.681) 10.640 14.040 ( 5.794 -7.428 -0.474) 9.432 14.892 ( -26.377 0.766 -2.529) 26.509 15.471 ( 4.631 23.638 18.964) 30.657 18.769 ( 5.078 -8.322 -7.240) 12.144 18.833 ( 9.653 -5.488 -3.258) 11.573 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -17.647 -17.024 -14.050) 28.260 3.421 ( -15.112 5.181 -4.362) 16.560 3.655 ( -13.628 -7.804 6.753) 17.095 4.246 ( 2.511 6.260 7.048) 9.755 4.606 ( -8.482 0.303 -6.362) 10.607 4.970 ( 2.624 1.414 1.861) 3.514 5.359 ( 7.545 -5.537 4.663) 10.456 5.408 ( 4.487 2.626 -9.626) 10.940 6.458 ( 0.575 -6.796 -2.100) 7.136 6.974 ( 0.721 2.957 -0.255) 3.054 7.233 ( -8.536 -6.638 -1.296) 10.891 7.846 ( 15.084 3.294 3.012) 15.730 8.314 ( -4.204 -1.153 -9.018) 10.016 9.012 ( 9.757 0.434 -8.241) 12.779 9.312 ( 7.355 -0.780 10.938) 13.204 9.481 ( 2.596 -4.408 3.207) 6.038 10.672 ( -18.758 3.810 -1.174) 19.177 11.578 ( -0.794 14.248 11.082) 18.068 13.352 ( -22.243 -13.223 -10.041) 27.756 14.401 ( -24.820 -0.259 1.044) 24.844 14.508 ( 23.987 0.880 -1.383) 24.043 15.850 ( 3.780 17.587 14.313) 22.988 18.749 ( 6.597 -7.080 -6.209) 11.498 18.922 ( 7.606 -2.845 -1.640) 8.284 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -20.534 -13.117 -10.505) 26.534 3.085 ( -24.079 0.753 -2.891) 24.264 3.309 ( -25.332 -2.886 3.115) 25.685 4.290 ( -5.605 2.997 4.881) 8.014 4.411 ( -8.118 -2.245 -5.594) 10.111 5.100 ( 7.170 2.180 2.848) 8.017 5.412 ( 2.573 -0.609 -4.996) 5.652 5.530 ( 12.378 -0.565 -0.782) 12.416 6.442 ( 3.167 -2.741 -0.165) 4.192 6.953 ( -5.573 2.094 -2.447) 6.437 6.983 ( -13.858 -4.887 2.193) 14.857 8.115 ( 12.013 1.407 2.585) 12.368 8.190 ( -4.470 -0.234 -4.774) 6.544 9.097 ( 7.021 -0.719 -3.619) 7.931 9.534 ( 11.642 -3.001 9.739) 15.472 9.618 ( 13.318 3.919 -4.839) 14.701 10.387 ( -16.449 -0.375 0.005) 16.453 11.731 ( -1.062 8.578 6.829) 11.016 12.833 ( -19.662 -8.794 -7.014) 22.652 13.889 ( -31.552 -0.135 -0.105) 31.552 14.966 ( 25.619 0.511 -0.061) 25.624 16.111 ( 3.120 9.465 7.833) 12.676 18.778 ( 7.292 -4.198 -3.704) 9.193 19.008 ( 5.460 -0.972 -0.546) 5.573 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -23.187 -0.000 0.000) 23.187 2.620 ( -30.283 -0.000 0.000) 30.283 2.802 ( -33.914 -0.000 0.000) 33.914 4.224 ( -6.495 -0.000 0.000) 6.495 4.254 ( -5.114 -0.000 0.000) 5.114 5.228 ( 4.782 0.000 -0.000) 4.782 5.422 ( 1.283 0.000 -0.000) 1.283 5.745 ( 13.315 0.000 -0.000) 13.315 6.489 ( 3.680 0.000 -0.000) 3.680 6.684 ( -17.518 -0.000 0.000) 17.518 6.857 ( -6.854 -0.000 0.000) 6.854 8.082 ( -6.419 -0.000 0.000) 6.419 8.316 ( 9.873 0.000 -0.000) 9.873 9.217 ( 9.095 0.000 -0.000) 9.095 9.743 ( 9.994 0.000 -0.000) 9.994 9.877 ( 14.882 0.000 -0.000) 14.882 10.143 ( -9.665 -0.000 0.000) 9.665 11.783 ( -0.902 -0.000 0.000) 0.902 12.461 ( -16.067 -0.000 0.000) 16.067 13.357 ( -31.337 -0.000 0.000) 31.337 15.360 ( 20.893 0.000 -0.000) 20.893 16.233 ( 3.086 0.000 -0.000) 3.086 18.866 ( 6.863 0.000 -0.000) 6.863 19.076 ( 3.449 0.000 -0.000) 3.449 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.000 16.634 9.971) 19.393 1.610 ( -0.000 13.472 14.055) 19.469 3.546 ( -0.000 24.334 20.659) 31.920 4.422 ( -0.000 7.042 4.423) 8.316 4.499 ( -0.000 8.354 10.313) 13.272 5.335 ( -0.000 0.064 5.372) 5.372 5.522 ( -0.000 -21.982 -5.374) 22.629 5.588 ( 0.000 2.376 -2.461) 3.421 6.043 ( 0.000 -1.547 -2.236) 2.719 6.595 ( 0.000 1.724 -0.893) 1.941 6.853 ( 0.000 4.685 0.660) 4.731 8.136 ( -0.000 -10.996 3.488) 11.536 8.184 ( 0.000 -9.824 -12.387) 15.810 8.820 ( 0.000 -22.828 -12.640) 26.093 9.641 ( 0.000 2.837 -2.546) 3.812 10.177 ( -0.000 19.944 16.297) 25.755 10.807 ( -0.000 1.421 4.951) 5.151 11.760 ( 0.000 12.578 -4.755) 13.447 11.937 ( -0.000 -0.655 2.386) 2.474 13.839 ( -0.000 32.414 24.967) 40.915 16.086 ( -0.000 -3.576 3.339) 4.893 16.299 ( 0.000 -2.146 -1.313) 2.516 18.266 ( 0.000 -18.617 -14.087) 23.345 18.972 ( 0.000 -6.706 -4.989) 8.358 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 15.269 19.126 0.199) 24.475 1.996 ( 18.006 5.827 19.585) 27.235 3.836 ( -2.792 16.982 13.674) 21.981 4.467 ( -5.508 6.935 3.411) 9.491 4.660 ( 0.504 9.228 10.279) 13.823 5.200 ( 1.236 -25.966 -13.477) 29.281 5.318 ( -5.531 -0.731 6.523) 8.583 5.787 ( 13.459 1.613 7.895) 15.687 6.008 ( 0.475 1.816 -7.392) 7.626 6.627 ( 3.353 -0.546 -0.700) 3.468 6.880 ( -2.751 4.838 -0.951) 5.646 7.985 ( -2.545 -9.337 -12.471) 15.786 8.034 ( 1.852 -12.326 -0.963) 12.502 8.618 ( 6.793 -18.830 -7.996) 21.556 9.597 ( -6.486 2.968 -1.155) 7.225 10.523 ( 3.214 21.939 15.125) 26.841 10.741 ( -11.447 -0.283 6.748) 13.290 11.805 ( -6.349 12.729 -2.500) 14.443 12.091 ( 16.047 -0.640 2.599) 16.269 14.331 ( 2.056 32.169 25.031) 40.812 15.998 ( -12.009 -8.912 11.278) 18.731 16.098 ( -15.125 2.999 -11.665) 19.335 18.136 ( 15.534 -18.235 -13.515) 27.504 18.865 ( 0.556 -8.675 -6.693) 10.971 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 24.026 19.023 -6.348) 31.296 2.522 ( 24.364 0.323 21.279) 32.350 3.946 ( -7.559 8.497 6.882) 13.292 4.369 ( -5.858 -5.967 -5.404) 9.956 4.810 ( -1.294 9.779 6.271) 11.689 4.980 ( 5.230 -13.564 -5.472) 15.533 5.240 ( -7.297 -1.792 8.139) 11.077 5.881 ( -6.329 -0.536 1.079) 6.443 6.221 ( 22.093 3.729 1.216) 22.438 6.674 ( 5.341 -3.290 -2.797) 6.868 6.838 ( -4.319 3.463 -4.027) 6.845 7.763 ( -5.003 -7.814 -11.080) 14.452 8.007 ( 9.167 -8.667 -2.353) 12.834 8.544 ( 8.628 -16.170 -4.775) 18.940 9.487 ( -9.316 3.056 0.395) 9.812 10.510 ( -18.042 0.732 4.457) 18.599 10.897 ( 4.346 17.705 15.503) 23.932 11.767 ( -12.133 13.144 0.320) 17.891 12.452 ( 24.791 -0.209 1.941) 24.868 14.830 ( 2.684 29.473 23.213) 37.613 15.549 ( -29.087 -9.400 2.484) 30.669 15.881 ( -11.712 2.299 -6.146) 13.425 18.211 ( 20.037 -14.838 -10.334) 26.989 18.743 ( 1.591 -10.089 -8.056) 13.008 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 25.736 16.053 -8.528) 31.508 3.049 ( 23.029 -1.529 18.775) 29.752 3.742 ( -14.736 -9.931 -7.585) 19.320 4.248 ( 0.262 -3.747 0.437) 3.782 4.797 ( -4.164 0.839 -3.536) 5.527 5.069 ( 6.160 4.685 2.937) 8.278 5.165 ( -6.860 0.072 9.450) 11.678 5.707 ( -12.019 -2.495 -1.019) 12.317 6.604 ( 9.341 -6.836 0.110) 11.576 6.678 ( 9.224 -3.961 4.157) 10.865 6.860 ( 7.792 11.324 -9.209) 16.546 7.539 ( -4.324 -7.663 -9.773) 13.151 8.132 ( 13.550 -3.357 -2.364) 14.159 8.518 ( 7.976 -13.580 -2.644) 15.969 9.366 ( -8.855 3.199 1.378) 9.515 10.206 ( -20.770 -1.643 4.882) 21.399 11.193 ( 2.283 12.871 9.270) 16.025 11.673 ( -15.846 14.674 4.680) 22.098 12.921 ( 29.437 0.116 1.272) 29.464 14.885 ( -29.368 -8.712 -2.146) 30.708 15.346 ( 1.728 24.516 19.587) 31.427 15.628 ( -16.956 1.130 -3.243) 17.300 18.362 ( 18.697 -10.452 -6.958) 22.522 18.629 ( 3.142 -10.436 -8.548) 13.851 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -11.645 -13.967 -13.115) 22.420 3.457 ( 13.961 1.570 9.942) 17.211 3.532 ( 17.829 7.850 -3.943) 19.875 4.208 ( -4.595 -3.361 6.350) 8.528 4.750 ( 0.663 3.398 -4.609) 5.765 5.083 ( -6.474 -2.375 4.651) 8.318 5.240 ( 2.638 9.606 -2.043) 10.169 5.455 ( -11.747 -6.378 3.957) 13.940 6.475 ( -0.664 -10.486 -6.773) 12.501 6.874 ( 3.680 4.736 6.477) 8.827 7.197 ( 21.013 6.094 -5.298) 22.511 7.364 ( -0.521 -7.716 -5.320) 9.386 8.314 ( 8.807 1.701 -5.675) 10.615 8.533 ( 11.330 -11.404 1.037) 16.109 9.288 ( -4.710 3.183 1.435) 5.863 9.860 ( -20.485 -3.130 4.364) 21.177 11.251 ( -10.436 4.908 0.329) 11.537 11.662 ( -7.714 15.742 10.444) 20.405 13.439 ( 30.835 0.219 0.437) 30.839 14.259 ( -29.524 -9.562 -4.857) 31.411 15.293 ( -22.034 0.627 -1.808) 22.117 15.732 ( 3.170 19.765 15.770) 25.484 18.538 ( 15.660 -6.114 -3.977) 17.275 18.549 ( 5.149 -8.985 -7.444) 12.754 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -16.994 -10.727 -8.648) 21.878 3.639 ( -2.955 5.154 1.786) 6.203 3.731 ( 0.120 -2.465 -0.714) 2.569 4.228 ( 7.552 0.246 6.146) 9.740 4.776 ( -7.728 8.200 -3.453) 11.785 4.928 ( -2.601 -6.227 -0.852) 6.801 5.299 ( 2.138 -3.996 2.301) 5.082 5.339 ( -2.308 4.130 -0.782) 4.796 6.366 ( 1.157 -5.421 -2.546) 6.100 6.990 ( 1.469 4.087 1.639) 4.642 7.230 ( -0.581 -5.342 -3.607) 6.472 7.599 ( 18.976 2.066 0.873) 19.108 8.324 ( -2.287 0.061 -4.204) 4.786 8.734 ( 17.622 -3.198 -0.290) 17.912 9.296 ( 1.482 2.306 1.258) 3.016 9.550 ( -13.929 -3.351 2.917) 14.620 11.025 ( -18.643 2.443 -0.319) 18.805 11.769 ( -2.051 8.674 6.407) 10.976 13.620 ( -24.427 -5.882 -4.655) 25.553 14.011 ( 27.583 -0.372 0.719) 27.595 14.881 ( -26.463 0.216 -0.751) 26.474 16.011 ( 2.838 10.787 8.625) 14.099 18.538 ( 6.667 -5.280 -4.441) 9.595 18.718 ( 12.381 -2.420 -1.510) 12.705 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -19.605 -0.000 0.000) 19.605 3.445 ( -18.943 -0.000 0.000) 18.943 3.626 ( -12.036 -0.000 0.000) 12.036 4.381 ( 3.000 0.000 -0.000) 3.000 4.551 ( -14.300 -0.000 0.000) 14.300 4.985 ( 7.586 0.000 -0.000) 7.586 5.345 ( 3.339 0.000 -0.000) 3.339 5.367 ( 5.494 0.000 -0.000) 5.494 6.373 ( 3.007 0.000 -0.000) 3.007 7.012 ( -1.519 -0.000 0.000) 1.519 7.144 ( -6.565 -0.000 0.000) 6.565 7.900 ( 15.321 0.000 -0.000) 15.321 8.248 ( -4.362 -0.000 0.000) 4.362 8.963 ( 9.767 0.000 -0.000) 9.767 9.392 ( 7.395 0.000 -0.000) 7.395 9.438 ( 3.651 0.000 -0.000) 3.651 10.705 ( -20.002 -0.000 0.000) 20.002 11.811 ( -0.861 -0.000 0.000) 0.861 13.142 ( -24.457 -0.000 0.000) 24.457 14.405 ( -29.820 -0.000 0.000) 29.820 14.507 ( 29.032 0.000 -0.000) 29.032 16.137 ( 2.713 0.000 -0.000) 2.713 18.618 ( 7.508 0.000 -0.000) 7.508 18.881 ( 8.795 0.000 -0.000) 8.795 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.000 9.328 10.627) 14.140 2.008 ( -0.000 12.418 7.743) 14.635 4.072 ( -0.000 11.760 7.951) 14.195 4.634 ( -0.000 8.841 4.985) 10.150 4.754 ( 0.000 -29.536 -12.462) 32.058 4.841 ( 0.000 9.740 1.358) 9.834 5.430 ( -0.000 -2.777 10.632) 10.988 5.705 ( -0.000 2.426 5.189) 5.728 5.999 ( 0.000 2.798 -4.496) 5.296 6.563 ( 0.000 -4.381 -1.782) 4.729 6.970 ( 0.000 7.332 -0.836) 7.380 7.830 ( 0.000 -6.825 -12.561) 14.296 7.889 ( -0.000 -14.966 -0.652) 14.980 8.356 ( 0.000 -14.373 -5.650) 15.444 9.669 ( 0.000 2.645 -1.691) 3.139 10.803 ( -0.000 20.122 16.005) 25.711 10.887 ( -0.000 0.926 3.831) 3.941 11.952 ( 0.000 3.763 -2.695) 4.628 11.982 ( -0.000 8.311 6.465) 10.530 14.779 ( -0.000 30.947 24.300) 39.348 16.062 ( -0.000 -2.388 2.097) 3.178 16.249 ( 0.000 -1.533 -0.791) 1.725 17.695 ( 0.000 -19.626 -15.805) 25.198 18.717 ( 0.000 -10.645 -8.304) 13.501 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 14.156 13.830 -1.167) 19.825 2.298 ( 15.846 2.376 15.000) 21.949 4.147 ( -6.574 0.413 0.164) 6.589 4.264 ( -4.020 -20.348 -14.439) 25.273 4.808 ( 4.674 4.754 1.886) 6.929 4.996 ( -1.550 12.533 7.485) 14.680 5.388 ( -5.591 -5.311 9.180) 11.989 5.911 ( 15.394 0.528 7.543) 17.151 5.990 ( -2.468 5.727 -5.565) 8.358 6.516 ( 3.204 -8.448 -3.351) 9.637 6.981 ( -6.065 7.854 -1.791) 10.084 7.690 ( -3.288 -9.716 -6.865) 12.342 7.788 ( 5.995 -5.886 -4.050) 9.327 8.253 ( 5.990 -12.635 -3.301) 14.367 9.637 ( -5.316 2.334 -0.813) 5.862 10.802 ( -12.418 0.498 3.145) 12.820 11.090 ( 2.452 15.320 11.867) 19.533 12.065 ( -4.566 14.111 1.096) 14.872 12.114 ( 14.255 -1.223 5.159) 15.209 15.220 ( 0.871 27.151 21.476) 34.629 15.957 ( -21.920 -10.183 11.075) 26.587 16.023 ( -9.804 5.498 -12.320) 16.677 17.630 ( 21.279 -15.638 -12.010) 29.010 18.561 ( 0.963 -11.491 -9.126) 14.705 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 22.247 13.785 -7.560) 27.241 2.735 ( 23.731 -3.384 16.354) 29.018 3.724 ( -9.993 -20.893 -14.895) 27.537 4.236 ( 0.549 2.772 1.818) 3.360 4.869 ( -4.053 3.955 -0.972) 5.746 5.097 ( -1.320 4.445 4.226) 6.274 5.345 ( -2.930 2.485 10.004) 10.716 5.880 ( -10.527 0.060 -1.048) 10.580 6.306 ( 22.477 1.256 2.605) 22.662 6.457 ( 4.491 -9.489 -4.510) 11.426 6.950 ( -5.211 9.969 -1.316) 11.326 7.472 ( -4.668 -10.793 -6.852) 13.610 7.894 ( 11.062 0.003 -2.258) 11.290 8.251 ( 8.240 -10.286 -1.360) 13.249 9.540 ( -8.010 1.914 0.142) 8.236 10.556 ( -18.568 -0.263 2.595) 18.750 11.309 ( 2.274 9.009 6.103) 11.117 12.075 ( -11.584 12.492 6.163) 18.117 12.469 ( 24.856 -0.159 1.210) 24.886 15.329 ( -30.460 -3.832 0.482) 30.704 15.663 ( -1.354 18.333 15.168) 23.833 15.858 ( -11.431 0.938 -2.504) 11.739 17.851 ( 24.660 -9.642 -6.850) 27.349 18.424 ( 2.408 -10.332 -8.338) 13.494 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 16.065 3.241 -6.293) 17.556 3.193 ( 23.164 -2.153 9.059) 24.965 3.343 ( -2.910 -7.772 -7.581) 11.241 4.277 ( -0.870 1.066 2.157) 2.558 4.775 ( -5.520 0.949 -1.903) 5.916 5.117 ( 0.203 -1.057 1.872) 2.159 5.419 ( -5.192 10.952 5.079) 13.141 5.630 ( -13.724 -5.961 -0.031) 14.963 6.347 ( 0.711 -6.610 -4.616) 8.094 6.781 ( 24.288 -0.241 5.821) 24.977 6.995 ( -0.313 10.999 -3.234) 11.469 7.267 ( -2.264 -9.634 -5.088) 11.128 8.109 ( 14.378 2.306 -1.490) 14.638 8.294 ( 7.025 -7.293 -0.060) 10.127 9.422 ( -7.648 1.240 0.472) 7.762 10.223 ( -21.684 -0.669 1.604) 21.754 11.397 ( -2.311 3.250 1.435) 4.238 12.007 ( -12.310 8.261 5.198) 15.710 12.934 ( 29.447 0.060 0.449) 29.451 14.707 ( -33.966 -4.445 -2.061) 34.317 15.616 ( -16.888 0.379 -1.018) 16.923 15.925 ( 2.084 11.732 9.421) 15.190 18.147 ( 21.804 -4.233 -2.866) 22.395 18.352 ( 4.192 -6.269 -5.120) 9.115 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -13.581 -0.000 0.000) 13.581 3.544 ( 15.334 0.000 -0.000) 15.334 3.585 ( 17.705 0.000 -0.000) 17.705 4.223 ( -5.081 -0.000 0.000) 5.081 4.764 ( 4.162 0.000 -0.000) 4.162 5.084 ( -7.658 -0.000 0.000) 7.658 5.310 ( -9.512 -0.000 0.000) 9.512 5.453 ( -5.902 -0.000 0.000) 5.902 6.307 ( 0.831 0.000 -0.000) 0.831 7.026 ( -0.971 -0.000 0.000) 0.971 7.133 ( 7.923 0.000 -0.000) 7.923 7.278 ( 17.477 0.000 -0.000) 17.477 8.322 ( 1.696 0.000 -0.000) 1.696 8.404 ( 18.393 0.000 -0.000) 18.393 9.330 ( -3.934 -0.000 0.000) 3.934 9.856 ( -21.410 -0.000 0.000) 21.410 11.299 ( -11.772 -0.000 0.000) 11.772 11.902 ( -6.833 -0.000 0.000) 6.833 13.444 ( 30.272 0.000 -0.000) 30.272 14.125 ( -30.881 -0.000 0.000) 30.881 15.287 ( -22.020 -0.000 0.000) 22.020 16.051 ( 2.355 0.000 -0.000) 2.355 18.389 ( 5.792 0.000 -0.000) 5.792 18.449 ( 17.359 0.000 -0.000) 17.359 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.000 4.730 5.634) 7.356 2.272 ( -0.000 6.547 4.495) 7.942 3.907 ( 0.000 -26.270 -17.836) 31.752 4.259 ( -0.000 3.653 1.020) 3.793 4.893 ( -0.000 10.759 5.280) 11.984 5.177 ( -0.000 12.245 5.845) 13.568 5.403 ( -0.000 -9.619 3.546) 10.252 5.803 ( -0.000 1.277 4.444) 4.624 6.073 ( 0.000 6.405 0.113) 6.406 6.376 ( 0.000 -10.095 -3.315) 10.625 7.114 ( 0.000 9.630 -2.075) 9.851 7.582 ( -0.000 -15.264 -0.389) 15.269 7.676 ( 0.000 2.483 -6.122) 6.606 8.070 ( -0.000 -10.148 -2.568) 10.468 9.695 ( 0.000 1.598 -0.870) 1.819 10.937 ( -0.000 0.392 2.074) 2.111 11.254 ( -0.000 9.937 7.409) 12.395 11.970 ( -0.000 0.299 0.465) 0.552 12.283 ( -0.000 11.367 6.809) 13.250 15.578 ( -0.000 21.706 17.207) 27.699 16.048 ( -0.000 -1.334 1.282) 1.850 16.222 ( -0.000 -0.537 -0.084) 0.544 17.171 ( 0.000 -14.072 -11.842) 18.392 18.385 ( 0.000 -10.803 -8.622) 13.821 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 15.303 6.258 -2.232) 16.683 2.457 ( 13.518 -0.705 7.243) 15.352 3.572 ( -4.387 -14.706 -10.270) 18.466 4.274 ( -1.007 1.660 0.431) 1.989 5.009 ( -2.961 9.790 3.148) 10.701 5.195 ( -6.846 -3.797 0.534) 7.846 5.399 ( 4.494 2.508 4.330) 6.726 5.989 ( 16.139 0.158 3.923) 16.610 6.047 ( -8.079 2.110 -1.734) 8.528 6.299 ( 2.697 -6.256 -2.530) 7.268 7.145 ( -5.610 10.785 -0.846) 12.186 7.402 ( -3.928 -12.954 -1.764) 13.651 7.740 ( 6.751 2.521 -2.413) 7.600 8.034 ( 6.538 -6.499 -0.746) 9.249 9.662 ( -4.708 0.878 -0.295) 4.798 10.835 ( -12.564 0.091 1.139) 12.616 11.371 ( 1.504 4.531 3.095) 5.689 12.120 ( 16.160 0.247 0.170) 16.163 12.360 ( -6.202 7.013 4.745) 10.496 15.775 ( -14.931 5.367 5.523) 16.800 15.952 ( -14.928 2.461 7.231) 16.769 15.997 ( -6.000 2.143 -3.972) 7.508 17.296 ( 26.259 -6.291 -4.881) 27.440 18.260 ( 1.330 -6.869 -5.523) 8.914 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 20.877 0.000 -0.000) 20.877 2.802 ( 24.115 0.000 -0.000) 24.115 3.370 ( -7.040 -0.000 0.000) 7.040 4.282 ( 0.757 0.000 -0.000) 0.757 4.931 ( -11.275 -0.000 0.000) 11.275 5.116 ( -0.125 -0.000 0.000) 0.125 5.513 ( 3.071 0.000 -0.000) 3.071 5.840 ( -14.525 -0.000 0.000) 14.525 6.289 ( 0.961 0.000 -0.000) 0.961 6.364 ( 24.825 0.000 -0.000) 24.825 7.134 ( -5.404 -0.000 0.000) 5.404 7.225 ( -4.063 -0.000 0.000) 4.063 7.896 ( 11.182 0.000 -0.000) 11.182 8.132 ( 8.218 0.000 -0.000) 8.218 9.560 ( -7.508 -0.000 0.000) 7.508 10.569 ( -18.805 -0.000 0.000) 18.805 11.426 ( 1.024 0.000 -0.000) 1.024 12.264 ( -10.905 -0.000 0.000) 10.905 12.475 ( 24.928 0.000 -0.000) 24.928 15.264 ( -34.901 -0.000 0.000) 34.901 15.852 ( -11.378 -0.000 0.000) 11.378 15.989 ( 1.036 0.000 -0.000) 1.036 17.708 ( 26.418 0.000 -0.000) 26.418 18.243 ( 2.867 0.000 -0.000) 2.867 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 0.000 -0.000) 0.000 2.365 ( -0.000 0.000 0.000) 0.000 3.501 ( -0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 5.122 ( -0.000 -0.000 -0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.361 ( -0.000 0.000 0.000) 0.000 5.853 ( -0.000 0.000 0.000) 0.000 6.153 ( -0.000 0.000 0.000) 0.000 6.215 ( -0.000 0.000 0.000) 0.000 7.281 ( -0.000 -0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.689 ( -0.000 0.000 0.000) 0.000 7.934 ( -0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 -0.000) 0.000 12.464 ( -0.000 0.000 0.000) 0.000 15.924 ( -0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 -0.000) 0.000 16.223 ( -0.000 0.000 0.000) 0.000 16.943 ( -0.000 0.000 0.000) 0.000 18.195 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.000 0.000 37.935) 37.935 0.727 ( -0.000 0.000 37.935) 37.935 1.029 ( -0.000 0.000 53.533) 53.533 4.135 ( -0.000 0.000 2.570) 2.570 4.135 ( -0.000 0.000 2.570) 2.570 5.233 ( -0.000 0.000 1.737) 1.737 5.233 ( -0.000 0.000 1.737) 1.737 6.305 ( -0.000 0.000 3.580) 3.580 6.305 ( -0.000 0.000 3.580) 3.580 6.509 ( 0.000 -0.000 -4.122) 4.122 6.775 ( -0.000 0.000 0.337) 0.337 8.609 ( 0.000 -0.000 -4.190) 4.190 8.833 ( -0.000 0.000 5.518) 5.518 9.576 ( 0.000 -0.000 -2.502) 2.502 9.576 ( 0.000 -0.000 -2.502) 2.502 10.394 ( 0.000 -0.000 -6.549) 6.549 10.394 ( 0.000 -0.000 -6.549) 6.549 10.657 ( 0.000 -0.000 -2.378) 2.378 12.042 ( -0.000 0.000 13.174) 13.174 12.042 ( -0.000 0.000 13.174) 13.174 16.374 ( 0.000 -0.000 -5.820) 5.820 16.374 ( 0.000 -0.000 -5.820) 5.820 19.158 ( 0.000 -0.000 -0.154) 0.154 19.220 ( 0.000 -0.000 -0.415) 0.415 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 10.463 6.041 21.512) 24.672 1.365 ( 21.064 12.161 33.397) 41.315 1.681 ( 19.523 11.272 45.176) 50.488 4.110 ( -1.652 -0.954 1.921) 2.707 4.211 ( 2.257 1.303 6.165) 6.693 5.218 ( -0.764 -0.441 0.566) 1.048 5.421 ( 12.137 7.008 0.977) 14.049 6.181 ( -7.492 -4.326 3.845) 9.467 6.276 ( -5.644 -3.258 0.474) 6.534 6.549 ( 5.200 3.002 -0.349) 6.015 6.774 ( -1.579 -0.912 1.189) 2.176 8.317 ( -22.140 -12.782 27.128) 37.276 8.544 ( -3.097 -1.788 -6.074) 7.049 9.533 ( -2.300 -1.328 -3.090) 4.075 9.569 ( 0.963 0.556 -2.302) 2.556 10.355 ( -4.899 -2.829 -9.329) 10.910 10.659 ( -0.800 -0.462 6.170) 6.239 10.851 ( 24.306 14.033 -33.078) 43.380 12.111 ( 6.272 3.621 8.592) 11.237 12.360 ( 11.411 6.588 21.087) 24.865 16.226 ( -6.102 -3.523 -10.580) 12.712 16.251 ( -9.597 -5.541 5.751) 12.485 19.122 ( -3.990 -2.304 -1.387) 4.812 19.149 ( -0.601 -0.347 -0.509) 0.861 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 29.242 16.883 0.674) 33.773 2.042 ( 21.344 12.323 28.388) 37.594 2.369 ( 17.728 10.235 37.409) 42.643 4.102 ( -0.049 -0.028 2.531) 2.532 4.327 ( 3.891 2.247 9.564) 10.567 5.184 ( -2.527 -1.459 -0.935) 3.064 5.722 ( 10.079 5.819 8.771) 14.573 6.083 ( 0.910 0.526 -6.980) 7.058 6.097 ( -8.720 -5.034 -3.797) 10.761 6.703 ( 7.091 4.094 3.370) 8.854 6.710 ( -4.587 -2.648 2.255) 5.756 8.227 ( -2.151 -1.242 19.229) 19.389 8.388 ( -6.530 -3.770 -9.197) 11.893 9.442 ( -3.696 -2.134 -4.372) 6.110 9.589 ( 1.139 0.658 -0.037) 1.316 10.121 ( -8.775 -5.066 -11.825) 15.572 10.674 ( -4.092 -2.363 15.283) 15.997 10.999 ( 8.347 4.819 -25.986) 27.716 12.401 ( 15.404 8.894 3.910) 18.212 12.800 ( 14.325 8.270 26.125) 30.921 15.968 ( -9.683 -5.590 -15.181) 18.854 16.052 ( -12.912 -7.454 10.042) 17.975 19.050 ( -0.827 -0.477 -5.282) 5.367 19.124 ( -1.066 -0.615 -1.526) 1.960 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 32.623 18.835 -5.855) 38.122 2.653 ( 18.131 10.468 22.618) 30.820 2.925 ( 12.869 7.430 29.075) 32.652 4.143 ( 1.658 0.957 4.135) 4.557 4.500 ( 5.326 3.075 11.195) 12.773 5.089 ( -4.974 -2.872 -2.137) 6.129 5.823 ( -5.456 -3.150 8.655) 10.705 5.859 ( -9.341 -5.393 -5.891) 12.290 6.267 ( 18.963 10.948 -9.255) 23.772 6.631 ( -2.658 -1.535 1.329) 3.345 6.882 ( 6.297 3.635 3.616) 8.120 8.142 ( -8.963 -5.175 -12.704) 16.386 8.381 ( 5.400 3.118 14.260) 15.564 9.315 ( -4.708 -2.718 -5.619) 7.818 9.560 ( -5.450 -3.146 -3.841) 7.373 9.889 ( -4.956 -2.861 -2.986) 6.455 10.677 ( -5.154 -2.976 19.169) 20.071 10.956 ( 1.515 0.875 -20.146) 20.221 12.824 ( 20.512 11.842 1.416) 23.727 13.321 ( 16.491 9.521 28.879) 34.592 15.603 ( -13.047 -7.533 -19.515) 24.654 15.795 ( -16.203 -9.355 11.435) 21.927 19.010 ( 0.583 0.337 -6.815) 6.848 19.084 ( -1.216 -0.702 -3.126) 3.427 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 30.955 17.872 -6.233) 36.283 3.107 ( 11.176 6.452 14.677) 19.544 3.303 ( 6.892 3.979 19.955) 21.484 4.212 ( 0.883 0.510 6.256) 6.338 4.682 ( 4.151 2.397 10.692) 11.718 4.947 ( -6.021 -3.476 -2.515) 7.393 5.627 ( -7.242 -4.181 -6.640) 10.678 5.705 ( -6.315 -3.646 -1.001) 7.361 6.590 ( 3.421 1.975 5.821) 7.034 6.723 ( 19.348 11.171 -7.823) 23.671 6.999 ( 1.822 1.052 1.625) 2.658 7.852 ( -8.414 -4.858 -14.424) 17.391 8.622 ( 8.458 4.883 11.344) 14.969 9.169 ( -4.676 -2.700 -6.607) 8.533 9.277 ( -12.463 -7.195 -13.937) 20.033 9.871 ( -2.626 -1.516 14.371) 14.687 10.706 ( -2.723 -1.572 19.397) 19.651 10.831 ( -2.190 -1.264 -15.722) 15.924 13.320 ( 22.930 13.239 0.553) 26.483 13.890 ( 17.552 10.134 29.171) 35.521 15.142 ( -15.940 -9.203 -23.315) 29.704 15.471 ( -19.487 -11.251 12.317) 25.653 18.989 ( 1.419 0.819 -6.795) 6.990 19.033 ( -0.880 -0.508 -5.071) 5.172 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 24.218 13.982 -1.059) 27.984 3.313 ( 1.533 0.885 4.516) 4.851 3.480 ( 1.754 1.012 7.128) 7.410 4.217 ( -5.576 -3.220 8.203) 10.429 4.806 ( -4.934 -2.849 -2.218) 6.114 4.808 ( 1.653 0.955 8.683) 8.891 5.477 ( -2.052 -1.185 -6.672) 7.081 5.555 ( -4.798 -2.770 -4.488) 7.130 6.700 ( 5.879 3.394 0.553) 6.811 6.952 ( -5.931 -3.425 -2.167) 7.184 7.159 ( 20.084 11.595 -1.480) 23.238 7.624 ( -4.379 -2.528 -11.105) 12.202 8.880 ( 9.501 5.486 1.124) 11.029 8.887 ( -12.820 -7.401 -17.549) 22.958 9.049 ( -2.287 -1.321 -0.153) 2.646 9.884 ( -7.505 -4.333 23.539) 25.083 10.673 ( -3.983 -2.300 -11.324) 12.222 10.817 ( 2.191 1.265 18.060) 18.236 13.840 ( 22.744 13.131 0.228) 26.264 14.462 ( 17.218 9.941 27.350) 33.813 14.606 ( -17.543 -10.129 -25.657) 32.690 15.081 ( -22.469 -12.973 13.038) 29.037 18.984 ( -0.016 -0.009 -7.078) 7.078 18.987 ( 2.059 1.189 -5.993) 6.447 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -7.149 -4.127 -5.354) 9.839 3.380 ( -9.469 -5.467 -0.099) 10.934 3.823 ( 18.833 10.873 -0.917) 21.765 4.040 ( -15.278 -8.821 9.836) 20.198 4.696 ( -4.176 -2.411 -2.146) 5.278 4.875 ( 0.745 0.430 5.537) 5.604 5.438 ( 1.929 1.113 -8.203) 8.500 5.469 ( 0.018 0.010 -3.096) 3.096 6.760 ( -8.040 -4.642 -2.811) 9.700 6.837 ( 6.275 3.623 -3.329) 7.974 7.476 ( -5.726 -3.306 -5.325) 8.490 7.576 ( 16.784 9.690 1.770) 19.461 8.512 ( -9.305 -5.372 -19.625) 22.374 8.928 ( 5.260 3.037 -19.584) 20.504 9.210 ( 7.435 4.293 15.469) 17.692 9.833 ( -10.879 -6.281 26.322) 29.166 10.523 ( -4.073 -2.351 -6.364) 7.914 11.020 ( 5.408 3.122 17.427) 18.513 13.969 ( -16.369 -9.451 -27.283) 33.191 14.403 ( 19.238 11.107 1.397) 22.258 14.624 ( -25.075 -14.477 14.217) 32.256 15.005 ( 15.799 9.122 23.334) 29.619 18.946 ( 1.236 0.714 -8.953) 9.066 19.004 ( 2.495 1.441 -4.878) 5.666 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -13.565 -7.832 -13.288) 20.541 3.039 ( -17.366 -10.026 -10.754) 22.754 3.681 ( -22.605 -13.051 12.549) 28.962 4.125 ( 6.505 3.756 4.363) 8.687 4.567 ( -6.232 -3.598 -2.939) 7.773 4.950 ( 4.498 2.597 3.190) 6.095 5.430 ( 2.424 1.399 -10.526) 10.891 5.526 ( 5.918 3.417 -1.180) 6.935 6.609 ( -4.322 -2.495 -0.018) 4.991 6.904 ( 1.781 1.028 -5.594) 5.960 7.249 ( -12.668 -7.314 -2.157) 14.786 7.924 ( 12.858 7.423 3.359) 15.222 8.250 ( -3.487 -2.013 -17.544) 18.000 8.988 ( 12.087 6.979 -21.604) 25.721 9.464 ( 7.197 4.155 10.917) 13.720 9.747 ( -10.692 -6.173 23.935) 26.932 10.423 ( -2.682 -1.549 -0.590) 3.153 11.257 ( 5.692 3.286 16.581) 17.836 13.385 ( -18.206 -10.511 -27.958) 34.979 14.126 ( -27.193 -15.700 14.283) 34.496 14.868 ( 19.012 10.976 4.218) 22.354 15.475 ( 13.872 8.009 19.164) 24.977 18.927 ( 2.603 1.503 -10.630) 11.046 19.035 ( 2.626 1.516 -3.726) 4.804 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -19.223 -11.099 -19.620) 29.625 2.496 ( -22.763 -13.142 -16.653) 31.116 3.204 ( -28.247 -16.308 17.250) 36.897 4.190 ( -2.152 -1.242 5.776) 6.287 4.391 ( -7.159 -4.133 -2.685) 8.691 5.114 ( 6.725 3.883 5.168) 9.328 5.417 ( 2.347 1.355 -10.000) 10.360 5.693 ( 9.347 5.396 -2.118) 10.998 6.543 ( -1.987 -1.147 -2.989) 3.768 6.846 ( -3.274 -1.890 -5.902) 7.009 6.919 ( -14.847 -8.572 1.138) 17.182 8.109 ( -2.194 -1.267 -10.075) 10.389 8.196 ( 9.871 5.699 2.686) 11.710 9.184 ( 16.854 9.731 -20.643) 28.370 9.654 ( 5.613 3.241 3.361) 7.301 9.670 ( -7.930 -4.579 18.243) 20.412 10.405 ( -0.291 -0.168 5.853) 5.862 11.470 ( 4.367 2.522 14.340) 15.201 12.832 ( -15.841 -9.146 -24.848) 30.854 13.599 ( -27.745 -16.019 14.264) 35.069 15.288 ( 15.435 8.912 6.208) 18.873 15.862 ( 11.121 6.421 14.247) 19.180 18.927 ( 3.779 2.182 -12.083) 12.847 19.072 ( 2.412 1.393 -2.667) 3.856 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -25.820 -14.907 -17.750) 34.698 1.850 ( -24.218 -13.982 -22.841) 36.107 2.645 ( -33.140 -19.134 23.222) 44.762 4.158 ( -3.128 -1.806 5.411) 6.506 4.243 ( -5.024 -2.901 0.458) 5.819 5.269 ( 2.965 1.712 6.899) 7.702 5.405 ( 1.591 0.919 -8.176) 8.380 5.896 ( 9.968 5.755 -3.646) 12.073 6.390 ( -7.820 -4.515 -12.180) 15.162 6.714 ( -4.800 -2.771 -4.489) 7.132 6.716 ( -5.024 -2.901 8.143) 9.998 7.997 ( -5.009 -2.892 -0.629) 5.818 8.400 ( 7.397 4.271 0.652) 8.567 9.439 ( 14.039 8.105 -12.726) 20.609 9.627 ( -4.366 -2.521 11.265) 12.342 9.774 ( 7.619 4.399 -8.357) 12.135 10.475 ( 1.524 0.880 10.027) 10.180 11.629 ( 2.801 1.617 10.106) 10.611 12.379 ( -11.891 -6.865 -19.193) 23.599 13.078 ( -26.585 -15.349 14.037) 33.755 15.632 ( 11.137 6.430 8.486) 15.407 16.150 ( 8.013 4.626 9.147) 13.011 18.941 ( 4.548 2.626 -13.039) 14.057 19.107 ( 1.925 1.111 -1.734) 2.819 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -26.826 -15.488 -17.739) 35.696 1.144 ( -26.703 -15.417 -12.603) 33.310 2.025 ( -37.011 -21.368 29.827) 52.115 4.136 ( -1.607 -0.928 4.821) 5.166 4.175 ( -2.562 -1.479 3.589) 4.651 5.320 ( -1.790 -1.033 5.481) 5.858 5.380 ( 0.272 0.157 -6.484) 6.492 6.078 ( 8.078 4.664 -3.314) 9.899 6.150 ( -5.943 -3.431 -7.535) 10.192 6.602 ( -2.982 -1.722 -2.320) 4.152 6.716 ( 0.195 0.112 4.875) 4.880 7.887 ( -6.802 -3.927 10.798) 13.353 8.535 ( 4.894 2.826 -1.416) 5.826 9.586 ( 2.949 1.703 -1.418) 3.689 9.612 ( -1.774 -1.024 5.074) 5.472 9.952 ( 16.214 9.361 -18.852) 26.570 10.577 ( 1.677 0.968 9.095) 9.299 11.716 ( 0.960 0.554 1.719) 2.046 12.059 ( -7.686 -4.437 -13.333) 16.017 12.603 ( -23.390 -13.504 13.932) 30.390 15.896 ( 7.037 4.063 11.690) 14.237 16.334 ( 4.675 2.699 4.060) 6.755 18.966 ( 5.013 2.894 -11.951) 13.278 19.135 ( 1.299 0.750 -0.941) 1.771 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 0.467 32.319) 32.323 1.213 ( -0.000 -3.496 39.345) 39.500 2.144 ( -0.000 34.573 40.388) 53.165 4.177 ( -0.000 3.227 1.757) 3.674 4.235 ( -0.000 3.326 5.605) 6.518 5.273 ( -0.000 2.087 1.121) 2.370 5.342 ( -0.000 5.254 3.468) 6.296 6.211 ( -0.000 -10.336 -0.886) 10.374 6.277 ( -0.000 -9.086 7.755) 11.945 6.498 ( 0.000 3.180 -2.241) 3.890 6.788 ( -0.000 -0.209 1.195) 1.213 8.504 ( 0.000 -3.436 -7.457) 8.210 8.514 ( -0.000 -21.187 20.093) 29.200 9.552 ( 0.000 1.523 -3.598) 3.907 9.608 ( 0.000 6.118 0.500) 6.138 9.928 ( 0.000 -23.958 -14.660) 28.088 10.677 ( 0.000 4.016 -0.496) 4.046 10.962 ( 0.000 37.658 -20.103) 42.688 12.065 ( -0.000 -7.856 14.058) 16.104 12.584 ( -0.000 22.146 22.555) 31.610 16.183 ( 0.000 -3.428 -7.177) 7.954 16.338 ( 0.000 1.714 -6.568) 6.788 19.035 ( -0.000 -16.209 0.311) 16.212 19.142 ( 0.000 -1.525 -0.732) 1.691 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 6.346 11.469 19.730) 23.688 1.770 ( 27.799 -3.926 34.231) 44.271 2.725 ( 2.169 30.451 34.068) 45.745 4.178 ( -3.846 4.638 2.287) 6.445 4.351 ( 3.360 3.990 7.898) 9.465 5.243 ( -4.337 1.241 1.976) 4.925 5.580 ( 14.962 6.699 2.906) 16.649 6.044 ( -3.459 -12.520 -4.506) 13.748 6.160 ( -7.028 -6.639 2.881) 10.088 6.603 ( 7.635 0.744 2.134) 7.962 6.776 ( -2.127 -0.124 1.587) 2.656 8.369 ( -4.768 -6.453 -5.009) 9.458 8.389 ( -5.470 -7.978 10.323) 14.146 9.461 ( -5.085 -4.277 -2.350) 7.048 9.580 ( 0.265 -3.274 -6.822) 7.572 9.888 ( 12.061 -8.365 -5.680) 15.739 10.680 ( -2.956 1.821 1.265) 3.695 11.128 ( -4.783 27.410 -14.505) 31.378 12.189 ( 12.622 -5.672 11.718) 18.133 13.006 ( 4.175 24.935 25.534) 35.933 16.032 ( -9.505 0.860 -13.953) 16.904 16.223 ( -9.051 -3.290 1.612) 9.765 18.904 ( 4.574 -15.464 -3.363) 16.474 19.110 ( -0.393 -2.744 -1.769) 3.288 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 22.898 17.562 4.584) 29.219 2.404 ( 27.112 -3.380 29.110) 39.923 3.205 ( 0.779 22.921 26.216) 34.832 4.197 ( -1.572 5.010 3.916) 6.550 4.515 ( 4.641 4.044 9.509) 11.328 5.172 ( -6.677 0.547 1.574) 6.881 5.803 ( -4.042 -14.882 -7.114) 16.982 5.959 ( 8.644 2.296 10.050) 13.453 6.002 ( 3.550 2.393 -9.198) 10.145 6.672 ( -1.779 -2.662 2.269) 3.924 6.817 ( 5.930 2.554 2.058) 6.777 8.138 ( -7.366 -6.949 -13.332) 16.742 8.373 ( 3.308 -5.999 9.682) 11.861 9.323 ( -1.264 -9.236 -3.905) 10.107 9.465 ( -0.994 -10.736 -6.929) 12.817 9.979 ( -1.465 11.737 0.143) 11.829 10.653 ( -0.661 -3.900 5.333) 6.640 11.162 ( -10.271 20.316 -6.647) 23.715 12.506 ( 21.769 -2.751 8.312) 23.464 13.514 ( 6.592 26.047 27.314) 38.314 15.701 ( -17.320 0.457 -19.649) 26.197 16.024 ( -12.507 -7.498 8.823) 17.044 18.842 ( 7.410 -11.548 -7.402) 15.590 19.054 ( -0.434 -3.777 -3.621) 5.250 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 28.691 18.560 -2.517) 34.264 2.952 ( 20.528 -1.669 22.629) 30.598 3.510 ( -2.428 13.487 17.516) 22.240 4.264 ( 0.115 4.007 5.567) 6.860 4.683 ( 4.609 1.544 8.071) 9.422 5.058 ( -8.838 0.835 2.687) 9.275 5.544 ( -1.849 -14.697 -10.646) 18.242 5.807 ( -8.894 -2.081 -2.745) 9.538 6.434 ( 22.270 9.313 2.160) 24.235 6.628 ( -1.698 0.353 0.730) 1.882 6.942 ( 5.401 -1.193 0.554) 5.559 7.844 ( -8.252 -6.259 -15.380) 18.542 8.479 ( 11.021 -8.021 4.425) 14.331 9.175 ( -0.247 -12.679 -7.901) 14.942 9.273 ( -8.332 -4.074 -1.851) 9.458 10.040 ( -6.569 10.395 3.735) 12.851 10.686 ( 2.193 0.047 8.999) 9.262 11.106 ( -13.932 14.650 0.642) 20.227 12.949 ( 27.010 -0.947 6.528) 27.803 14.063 ( 7.861 25.897 27.252) 38.407 15.234 ( -20.493 -3.230 -22.056) 30.280 15.764 ( -16.778 -8.609 11.018) 21.841 18.826 ( 8.045 -7.956 -8.946) 14.424 18.979 ( 0.078 -4.411 -6.066) 7.501 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 28.720 16.746 -4.078) 33.494 3.311 ( 7.831 1.434 12.713) 15.000 3.595 ( -6.141 1.921 8.492) 10.655 4.316 ( -1.873 -0.444 7.164) 7.418 4.768 ( 1.485 -3.053 1.528) 3.723 4.957 ( -7.240 2.456 7.297) 10.569 5.357 ( 2.143 -9.687 -10.076) 14.140 5.619 ( -8.161 -1.698 -4.213) 9.341 6.651 ( 2.964 4.229 -3.547) 6.265 6.912 ( 19.943 7.166 4.031) 21.572 6.944 ( 1.077 -5.478 -2.460) 6.101 7.591 ( -4.516 -2.684 -13.483) 14.471 8.588 ( 10.791 -11.501 -5.730) 16.779 8.958 ( -5.032 -6.483 -10.977) 13.705 9.151 ( -5.884 1.781 6.831) 9.190 10.001 ( -4.840 -5.497 8.238) 11.023 10.827 ( -3.355 15.907 6.003) 17.330 11.012 ( -10.920 5.748 11.258) 16.704 13.459 ( 29.154 -0.113 5.825) 29.730 14.583 ( 1.112 14.503 12.484) 19.169 14.714 ( -14.620 3.623 -10.804) 18.537 15.433 ( -21.116 -9.268 12.243) 26.109 18.841 ( 7.810 -5.002 -8.676) 12.700 18.899 ( 1.230 -4.499 -8.735) 9.902 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -9.042 -3.832 -4.587) 10.839 3.502 ( -6.964 -2.847 3.777) 8.419 3.563 ( 23.463 12.814 -2.080) 26.815 4.255 ( -9.185 -4.970 10.545) 14.841 4.711 ( -1.986 -3.604 -2.332) 4.730 4.950 ( -3.727 2.212 6.712) 7.989 5.296 ( 4.905 -3.834 -9.038) 10.975 5.476 ( -3.711 -1.519 -2.038) 4.498 6.729 ( 2.213 -0.748 -5.214) 5.714 6.800 ( -1.138 -2.984 -4.287) 5.346 7.361 ( 18.335 6.705 1.328) 19.567 7.470 ( -0.174 -0.473 -7.029) 7.047 8.460 ( -4.301 -8.020 -15.632) 18.088 8.819 ( -0.550 2.836 -14.487) 14.773 9.223 ( 4.155 0.908 14.352) 14.969 9.904 ( -1.088 -16.811 13.216) 21.412 10.782 ( -18.189 13.130 3.362) 22.684 11.145 ( 2.148 9.800 17.723) 20.365 13.921 ( 9.643 -2.604 -7.270) 12.354 14.146 ( -1.928 -6.338 -11.381) 13.169 15.027 ( -24.011 -8.906 13.800) 29.091 15.141 ( 6.064 21.724 21.681) 31.285 18.828 ( 2.858 -3.959 -11.250) 12.264 18.880 ( 7.182 -2.591 -7.465) 10.678 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -14.490 -15.994 -12.993) 25.192 3.295 ( -17.495 2.629 -5.951) 18.665 3.888 ( -0.989 -8.310 7.008) 10.916 4.149 ( -2.066 7.634 9.156) 12.099 4.612 ( -4.644 -3.512 -2.189) 6.221 4.948 ( -0.384 1.437 1.982) 2.479 5.306 ( 5.156 -0.101 -10.473) 11.674 5.456 ( 2.654 -0.600 1.701) 3.209 6.601 ( -1.819 -8.289 -1.409) 8.602 6.861 ( 2.968 5.720 -6.772) 9.348 7.329 ( -5.997 -5.034 -4.929) 9.252 7.763 ( 16.060 6.736 1.767) 17.505 8.215 ( -6.141 0.527 -16.391) 17.512 8.792 ( 4.349 7.276 -17.775) 19.693 9.423 ( 7.491 -0.141 11.665) 13.864 9.831 ( 2.114 -19.537 18.477) 26.974 10.610 ( -16.057 5.855 5.752) 18.033 11.391 ( 1.218 11.994 15.373) 19.536 13.437 ( -20.589 -8.493 -24.906) 33.411 14.546 ( 27.279 -1.070 7.570) 28.330 14.567 ( -28.176 -10.732 14.243) 33.345 15.582 ( 6.060 19.284 18.035) 27.090 18.779 ( 4.551 -2.681 -13.296) 14.307 18.935 ( 6.241 -0.715 -5.907) 8.623 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -17.198 -20.531 -14.993) 30.693 2.900 ( -26.523 5.683 -13.568) 30.329 3.594 ( -21.856 -13.552 14.663) 29.603 4.280 ( -2.188 3.019 8.534) 9.313 4.458 ( -7.043 -4.565 -1.531) 8.531 5.051 ( 8.029 4.197 1.322) 9.155 5.326 ( 3.829 1.969 -9.194) 10.153 5.558 ( 7.725 0.407 1.076) 7.811 6.515 ( -0.169 -5.111 -2.323) 5.616 6.867 ( -2.829 3.275 -6.854) 8.106 7.085 ( -12.767 -5.688 -1.872) 14.102 8.064 ( 12.138 4.508 -0.907) 12.980 8.086 ( -1.428 3.997 -10.062) 10.920 8.899 ( 11.826 10.371 -18.488) 24.274 9.564 ( 5.297 -4.160 4.170) 7.922 9.853 ( 1.653 -9.574 21.744) 23.816 10.452 ( -8.563 -2.482 6.696) 11.149 11.596 ( -0.051 10.077 11.963) 15.641 12.881 ( -18.479 -6.795 -21.901) 29.450 14.058 ( -30.246 -11.237 14.503) 35.375 15.025 ( 24.509 -1.972 9.290) 26.284 15.935 ( 4.772 14.308 12.800) 19.782 18.762 ( 5.778 -0.409 -14.523) 15.635 18.997 ( 5.027 0.556 -4.350) 6.671 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -20.516 -17.177 -10.345) 28.688 2.357 ( -33.697 8.022 -18.133) 39.098 3.141 ( -28.347 -15.161 20.400) 38.073 4.261 ( -5.770 -0.894 7.721) 9.680 4.301 ( -5.407 -4.248 1.137) 6.970 5.230 ( 6.507 0.451 1.664) 6.732 5.370 ( 2.493 4.375 -1.717) 5.320 5.722 ( 11.028 1.943 -2.942) 11.578 6.428 ( -4.672 0.796 -9.351) 10.484 6.727 ( -7.841 -3.328 -3.819) 9.335 6.865 ( -8.219 -1.159 2.064) 8.554 8.046 ( -2.085 2.470 -2.510) 4.093 8.286 ( 9.924 2.717 -1.505) 10.398 9.132 ( 16.067 9.052 -14.653) 23.555 9.617 ( 6.051 -2.678 -2.403) 7.040 9.900 ( -7.887 3.069 14.293) 16.611 10.394 ( 4.430 -12.240 9.911) 16.361 11.729 ( -1.097 6.556 6.908) 9.587 12.428 ( -14.903 -3.106 -16.330) 22.325 13.530 ( -30.431 -11.311 14.928) 35.732 15.440 ( 20.305 -3.241 10.900) 23.272 16.176 ( 3.879 7.440 6.458) 10.588 18.783 ( 6.062 3.254 -14.265) 15.838 19.056 ( 3.689 1.169 -2.958) 4.871 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -22.882 -2.187 4.706) 23.464 1.719 ( -38.157 9.860 -17.657) 43.185 2.619 ( -33.141 -16.584 26.978) 45.838 4.197 ( -2.854 -4.216 5.056) 7.175 4.222 ( -4.019 -1.239 5.036) 6.561 5.276 ( 2.088 -3.008 -2.444) 4.402 5.455 ( -0.916 5.045 6.603) 8.360 5.922 ( 11.521 3.448 -2.777) 12.342 6.249 ( -10.247 5.430 -11.804) 16.547 6.606 ( -1.652 -3.027 0.412) 3.473 6.769 ( -4.218 -0.819 2.500) 4.971 8.016 ( -4.192 -0.798 7.577) 8.696 8.435 ( 7.542 1.080 -3.508) 8.387 9.370 ( 12.231 0.274 -4.083) 12.897 9.717 ( 8.309 4.063 -12.065) 15.203 9.854 ( -7.820 11.052 4.094) 14.144 10.463 ( 9.432 -13.882 11.607) 20.406 11.753 ( -2.549 -1.123 -2.588) 3.802 12.130 ( -11.381 4.632 -8.163) 14.752 13.022 ( -28.392 -10.778 15.636) 34.158 15.778 ( 15.583 -4.538 12.464) 20.464 16.288 ( 3.828 -1.262 -0.949) 4.141 18.853 ( 5.525 8.232 -11.298) 15.031 19.104 ( 2.430 1.149 -1.797) 3.233 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.000 5.892 26.749) 27.390 1.646 ( -0.000 -0.401 33.981) 33.983 3.196 ( -0.000 27.303 28.460) 39.439 4.295 ( 0.000 6.977 0.880) 7.033 4.410 ( -0.000 6.549 6.886) 9.503 5.348 ( -0.000 1.939 5.570) 5.898 5.495 ( -0.000 5.556 2.155) 5.959 5.882 ( 0.000 -18.195 -7.081) 19.525 6.183 ( -0.000 -9.875 6.237) 11.679 6.551 ( -0.000 2.779 0.784) 2.887 6.806 ( -0.000 0.831 1.483) 1.700 8.275 ( 0.000 -7.633 -12.334) 14.505 8.401 ( -0.000 -13.332 8.756) 15.950 9.221 ( 0.000 -26.807 -13.642) 30.079 9.555 ( 0.000 3.554 -4.446) 5.692 9.899 ( -0.000 17.285 10.322) 20.133 10.766 ( 0.000 4.677 0.401) 4.694 11.331 ( 0.000 24.788 -13.836) 28.388 12.093 ( -0.000 -8.195 14.919) 17.022 13.404 ( -0.000 29.005 26.812) 39.499 16.057 ( 0.000 2.113 -11.570) 11.762 16.281 ( 0.000 1.317 -6.772) 6.899 18.641 ( -0.000 -23.215 -1.442) 23.259 19.062 ( 0.000 -4.945 -2.708) 5.638 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 4.569 11.125 17.422) 21.170 2.131 ( 23.818 -2.154 31.345) 39.426 3.580 ( -1.322 20.484 21.153) 29.475 4.329 ( -3.916 7.929 1.451) 8.962 4.556 ( 2.874 7.178 6.679) 10.218 5.332 ( -6.718 2.789 6.271) 9.604 5.575 ( 2.228 -18.770 -14.620) 23.896 5.766 ( 12.492 2.019 5.898) 13.961 6.071 ( -5.396 -7.389 3.908) 9.949 6.632 ( 4.633 -0.076 1.724) 4.944 6.815 ( -1.105 1.969 1.104) 2.513 8.072 ( -3.872 -8.931 -14.806) 17.719 8.293 ( -0.493 -13.170 4.048) 13.787 8.977 ( 7.928 -23.547 -9.371) 26.554 9.519 ( -5.174 3.482 -2.917) 6.885 10.178 ( 0.600 21.086 10.058) 23.370 10.752 ( -5.832 3.039 2.292) 6.964 11.444 ( -4.506 20.561 -8.088) 22.549 12.222 ( 13.180 -6.944 13.090) 19.831 13.889 ( 2.630 30.168 27.467) 40.884 15.887 ( -13.806 5.336 -18.919) 24.021 16.176 ( -7.890 -3.327 1.494) 8.692 18.483 ( 9.570 -22.000 -4.326) 24.378 18.981 ( -0.083 -6.861 -4.435) 8.170 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 19.098 15.213 5.183) 24.961 2.709 ( 24.396 -2.820 27.739) 37.048 3.802 ( -4.698 12.437 13.510) 18.954 4.346 ( -2.606 4.527 0.446) 5.242 4.698 ( 1.729 5.440 4.684) 7.384 5.274 ( -9.636 2.642 9.171) 13.563 5.286 ( 2.203 -20.596 -14.934) 25.536 5.895 ( -5.706 -1.901 -4.847) 7.724 6.175 ( 19.665 3.903 9.252) 22.080 6.671 ( -0.808 0.226 1.078) 1.366 6.838 ( 2.890 -1.931 -0.624) 3.531 7.807 ( -6.368 -6.933 -15.386) 18.038 8.229 ( 6.845 -13.300 0.878) 14.984 8.866 ( 8.501 -19.827 -5.582) 22.283 9.426 ( -8.046 2.957 -0.110) 8.573 10.332 ( -10.910 16.308 -1.378) 19.669 10.778 ( 1.043 7.075 13.755) 15.503 11.469 ( -10.523 16.546 -1.004) 19.634 12.546 ( 22.800 -5.018 10.203) 25.478 14.409 ( 4.029 29.481 26.504) 39.847 15.474 ( -23.560 3.749 -22.835) 33.023 15.993 ( -11.987 -6.840 8.460) 16.188 18.463 ( 14.097 -16.454 -7.799) 23.028 18.873 ( 0.332 -8.129 -6.806) 10.607 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 25.973 15.756 -2.116) 30.452 3.211 ( 17.904 -1.234 21.947) 28.350 3.797 ( -11.225 0.883 2.463) 11.526 4.332 ( 1.257 -2.942 0.259) 3.210 4.751 ( -1.320 1.011 -1.831) 2.473 5.095 ( 1.470 -8.812 -3.444) 9.574 5.222 ( -6.104 1.630 6.413) 9.002 5.730 ( -8.774 -1.052 -3.177) 9.390 6.597 ( 13.895 8.080 -5.216) 16.898 6.703 ( 7.928 1.143 8.975) 12.030 6.820 ( 2.283 -9.115 -3.157) 9.913 7.559 ( -5.393 -3.198 -13.632) 15.005 8.266 ( 11.067 -11.206 -1.673) 15.838 8.787 ( 5.606 -14.817 -4.131) 16.372 9.324 ( -7.762 2.314 3.675) 8.894 10.171 ( -14.694 4.570 -4.861) 16.138 11.043 ( 3.592 13.450 17.690) 22.511 11.403 ( -15.850 13.819 4.135) 21.431 12.996 ( 28.235 -3.952 8.727) 29.816 14.830 ( -13.563 9.930 -3.714) 17.215 15.005 ( -8.665 17.309 4.549) 19.884 15.743 ( -16.732 -7.764 10.881) 21.416 18.520 ( 14.435 -10.715 -8.922) 20.069 18.755 ( 1.411 -8.406 -9.411) 12.697 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 23.044 10.576 -5.766) 26.003 3.464 ( -7.672 -2.484 -3.472) 8.780 3.562 ( 1.327 -5.108 8.538) 10.038 4.341 ( -0.115 -5.210 6.898) 8.645 4.676 ( -1.174 -1.462 -6.103) 6.385 5.095 ( -0.763 3.338 0.686) 3.492 5.168 ( -3.330 -1.875 2.159) 4.389 5.559 ( -8.261 -1.833 1.519) 8.598 6.661 ( -0.929 -7.687 -5.135) 9.291 6.726 ( 3.425 3.889 -7.176) 8.852 7.105 ( 20.163 3.716 4.603) 21.013 7.413 ( -0.531 -1.522 -8.465) 8.617 8.311 ( 5.312 -5.646 -6.194) 9.923 8.723 ( 3.703 -7.249 -5.706) 9.941 9.286 ( -2.206 0.210 8.967) 9.237 9.923 ( -11.455 -4.126 -1.928) 12.327 11.231 ( -13.348 2.266 10.958) 17.417 11.364 ( -3.578 21.082 12.745) 24.893 13.506 ( 29.760 -3.642 7.796) 30.979 14.277 ( -25.993 -3.016 -22.375) 34.429 15.393 ( -7.645 8.741 16.486) 20.165 15.438 ( -9.731 6.990 15.979) 19.972 18.618 ( 13.037 -5.859 -8.194) 16.475 18.647 ( 3.117 -7.323 -11.614) 14.079 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -16.021 -14.621 -13.469) 25.531 3.560 ( -10.832 3.981 1.695) 11.664 3.720 ( 17.645 4.391 -0.623) 18.194 4.303 ( -1.952 -3.741 7.607) 8.699 4.643 ( -2.401 2.416 -1.930) 3.916 5.021 ( -7.447 -2.113 2.871) 8.256 5.163 ( 4.150 1.662 -9.747) 10.723 5.474 ( -2.939 -1.945 8.078) 8.813 6.512 ( -0.265 -10.620 -2.534) 10.922 6.825 ( 3.779 9.242 -8.002) 12.796 7.283 ( 1.881 -3.350 -6.892) 7.890 7.553 ( 16.401 4.162 2.655) 17.128 8.240 ( -4.379 1.703 -9.797) 10.865 8.707 ( 3.345 2.787 -11.216) 12.031 9.376 ( 5.400 -2.831 12.631) 14.026 9.716 ( -3.424 -12.672 4.763) 13.963 11.024 ( -19.670 2.159 9.905) 22.128 11.598 ( -0.175 13.655 11.941) 18.140 13.613 ( -23.130 -2.618 -20.021) 30.703 14.087 ( 28.090 -4.432 7.174) 29.328 15.017 ( -25.757 -8.815 13.259) 30.281 15.799 ( 3.564 18.188 15.025) 23.859 18.577 ( 4.893 -4.434 -12.762) 14.369 18.737 ( 10.999 -2.010 -6.571) 12.969 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -18.536 -10.945 -9.130) 23.382 3.304 ( -22.201 6.769 -7.901) 24.518 3.802 ( -6.692 -10.040 8.090) 14.527 4.381 ( 3.717 2.513 3.362) 5.607 4.552 ( -10.311 0.460 3.766) 10.987 4.965 ( 3.654 0.718 -1.936) 4.197 5.198 ( 5.904 2.495 -10.176) 12.026 5.507 ( 1.616 -1.946 9.524) 9.854 6.432 ( 1.638 -6.198 -1.515) 6.587 6.896 ( 0.237 7.392 -7.431) 10.484 7.184 ( -5.813 -3.714 -3.459) 7.717 7.863 ( 14.917 3.231 -1.703) 15.357 8.131 ( -4.838 6.904 -9.180) 12.464 8.759 ( 5.641 10.399 -14.410) 18.644 9.472 ( 2.118 -5.652 3.558) 7.006 9.707 ( 11.558 -15.427 18.603) 26.789 10.755 ( -19.857 -1.316 9.226) 21.935 11.757 ( -0.533 7.359 7.501) 10.522 13.072 ( -23.357 0.253 -17.347) 29.095 14.536 ( -15.703 -8.253 10.729) 20.732 14.608 ( 15.682 -6.136 12.506) 20.976 16.065 ( 2.968 9.765 7.888) 12.899 18.571 ( 6.215 0.624 -12.133) 13.647 18.859 ( 8.541 0.659 -4.871) 9.854 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -20.898 -0.102 1.102) 20.927 2.877 ( -29.557 9.652 -13.613) 33.943 3.526 ( -19.425 -12.389 13.954) 26.936 4.351 ( -5.138 -4.899 -0.060) 7.100 4.437 ( -8.601 0.429 9.454) 12.788 5.100 ( 8.766 0.526 -2.414) 9.108 5.313 ( 9.271 6.423 -4.759) 12.241 5.594 ( 4.655 -1.472 6.686) 8.279 6.412 ( 1.192 -0.387 -3.474) 3.693 6.855 ( -8.367 4.912 -6.655) 11.765 6.994 ( -8.973 -2.160 -1.458) 9.343 8.071 ( 6.055 4.414 -6.034) 9.621 8.129 ( 4.328 4.196 -2.192) 6.414 8.927 ( 10.866 12.901 -12.729) 21.131 9.464 ( 4.946 -6.370 -1.358) 8.178 9.931 ( 13.373 -11.170 20.268) 26.728 10.460 ( -17.313 -5.293 7.151) 19.465 11.808 ( -0.961 -0.819 1.150) 1.708 12.651 ( -19.750 7.004 -10.404) 23.396 14.042 ( -30.968 -9.593 14.731) 35.610 15.066 ( 26.064 -6.084 10.228) 28.652 16.182 ( 2.756 -0.409 -0.607) 2.852 18.647 ( 6.578 7.028 -9.754) 13.704 18.969 ( 6.027 2.014 -3.457) 7.234 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -20.446 15.076 15.287) 29.648 2.346 ( -35.121 13.031 -15.521) 40.548 3.126 ( -25.791 -13.447 20.729) 35.716 4.224 ( -4.243 -5.095 2.040) 6.937 4.362 ( -7.051 0.130 8.714) 11.210 5.176 ( 4.617 -2.938 -2.985) 6.233 5.519 ( 5.513 4.842 6.396) 9.734 5.742 ( 10.641 1.823 0.708) 10.819 6.393 ( -4.715 7.665 -9.702) 13.233 6.660 ( -9.564 -0.288 -1.006) 9.621 6.867 ( -6.143 0.298 0.098) 6.151 8.119 ( -2.051 4.471 3.096) 5.812 8.261 ( 9.432 -0.509 -5.694) 11.029 9.177 ( 11.875 8.368 -5.565) 15.557 9.521 ( 9.387 0.848 -9.626) 13.473 10.143 ( -7.346 4.870 11.977) 14.871 10.207 ( 6.327 -18.853 10.177) 22.339 11.705 ( -2.843 -10.412 -7.313) 13.038 12.433 ( -15.062 16.274 -1.878) 22.254 13.525 ( -30.828 -9.628 16.296) 36.175 15.474 ( 22.055 -7.082 10.899) 25.600 16.150 ( 3.079 -9.247 -8.618) 13.009 18.797 ( 6.167 11.873 -6.828) 15.021 19.053 ( 3.817 2.090 -2.438) 4.988 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.000 5.480 23.367) 24.001 2.035 ( -0.000 -0.853 28.410) 28.423 3.883 ( -0.000 15.046 14.872) 21.155 4.464 ( 0.000 10.010 0.070) 10.010 4.648 ( -0.000 10.264 3.204) 10.753 5.217 ( 0.000 -25.769 -17.988) 31.427 5.507 ( -0.000 2.223 12.179) 12.380 5.692 ( -0.000 1.626 6.386) 6.590 6.055 ( -0.000 -8.501 2.554) 8.876 6.601 ( -0.000 0.116 1.294) 1.299 6.863 ( 0.000 3.446 0.797) 3.537 7.907 ( 0.000 -10.028 -15.819) 18.730 8.186 ( -0.000 -15.386 2.173) 15.539 8.638 ( 0.000 -18.932 -6.969) 20.174 9.582 ( 0.000 4.412 -3.763) 5.798 10.475 ( -0.000 23.118 14.401) 27.237 10.854 ( 0.000 3.882 0.036) 3.882 11.616 ( 0.000 19.744 -8.128) 21.351 12.129 ( -0.000 -7.944 15.670) 17.569 14.340 ( -0.000 30.895 27.273) 41.211 15.959 ( 0.000 5.876 -16.413) 17.433 16.224 ( 0.000 1.649 -6.481) 6.687 18.125 ( -0.000 -27.605 -0.877) 27.619 18.869 ( 0.000 -9.480 -5.712) 11.068 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.701 7.691 14.602) 16.914 2.457 ( 21.791 -3.505 27.635) 35.367 4.050 ( -3.112 9.069 9.199) 13.287 4.449 ( -8.845 0.218 -7.316) 11.481 4.759 ( 3.136 5.591 -5.969) 8.759 4.937 ( 4.336 -14.408 -4.942) 15.837 5.512 ( -7.616 0.458 11.821) 14.069 5.858 ( 6.981 1.494 -1.363) 7.268 6.019 ( 5.246 -3.375 8.647) 10.662 6.624 ( 3.174 -3.403 -0.006) 4.654 6.867 ( -4.084 3.026 -0.124) 5.084 7.718 ( -1.598 -5.792 -14.301) 15.511 8.033 ( 0.498 -15.282 0.753) 15.309 8.514 ( 7.836 -16.305 -3.422) 18.411 9.562 ( -4.623 4.151 -2.404) 6.662 10.672 ( -11.542 14.778 -0.503) 18.758 10.916 ( 2.971 9.464 12.094) 15.642 11.745 ( -3.111 18.459 -3.074) 18.970 12.256 ( 12.390 -7.161 14.041) 20.049 14.816 ( 1.504 29.357 25.475) 38.898 15.751 ( -18.004 8.117 -23.262) 30.514 16.138 ( -6.850 -2.786 2.014) 7.664 17.983 ( 13.854 -23.919 -2.302) 27.738 18.729 ( 0.269 -11.094 -7.389) 13.332 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 17.220 10.878 3.325) 20.638 2.971 ( 23.658 -5.625 25.213) 35.029 3.965 ( -13.194 -9.493 -9.737) 18.947 4.243 ( 2.255 -4.143 -1.638) 4.993 4.775 ( -1.231 2.763 -7.107) 7.724 4.982 ( 2.412 4.665 2.159) 5.678 5.444 ( -7.922 -1.581 11.660) 14.185 5.834 ( -5.330 2.114 -2.966) 6.455 6.324 ( 19.954 0.528 6.533) 21.003 6.618 ( 3.529 -8.419 -3.282) 9.700 6.806 ( -5.091 3.630 1.014) 6.334 7.538 ( -5.278 -2.779 -12.001) 13.402 7.989 ( 9.044 -10.606 0.932) 13.969 8.496 ( 8.807 -14.651 -0.909) 17.118 9.489 ( -7.019 3.144 0.038) 7.691 10.474 ( -17.891 7.203 -7.401) 20.658 11.193 ( 4.606 10.261 14.680) 18.493 11.806 ( -10.360 17.352 3.092) 20.445 12.573 ( 22.912 -6.068 10.950) 26.109 15.173 ( -16.883 12.988 -5.760) 22.066 15.358 ( -9.006 18.443 2.951) 20.736 15.977 ( -11.546 -5.965 8.622) 15.596 18.058 ( 19.289 -15.341 -5.257) 25.200 18.579 ( 1.102 -11.046 -9.031) 14.310 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 23.661 10.892 -4.065) 26.363 3.424 ( 18.435 -6.114 20.170) 28.002 3.509 ( -12.474 -14.900 -15.216) 24.681 4.305 ( 2.861 -1.679 5.167) 6.140 4.684 ( -5.132 3.104 -8.287) 10.230 5.061 ( 1.586 4.931 -4.276) 6.717 5.378 ( -8.932 0.233 12.009) 14.968 5.710 ( -9.193 -0.709 1.925) 9.419 6.508 ( 1.753 -12.401 -4.985) 13.480 6.674 ( 11.378 8.210 -8.347) 16.326 6.882 ( 8.938 2.815 9.242) 13.161 7.364 ( -3.011 -3.347 -8.151) 9.312 8.106 ( 11.181 -4.065 0.602) 11.912 8.503 ( 7.699 -11.928 -0.116) 14.197 9.405 ( -6.136 1.254 3.067) 6.974 10.162 ( -19.144 4.109 -8.599) 21.385 11.396 ( 0.593 2.135 12.342) 12.539 11.794 ( -13.051 16.870 6.277) 22.233 13.020 ( 28.653 -5.369 9.320) 30.606 14.618 ( -30.707 3.300 -22.442) 38.177 15.679 ( -0.935 14.716 15.121) 21.121 15.752 ( -13.173 -1.839 12.416) 18.195 18.236 ( 18.816 -7.655 -5.929) 21.161 18.451 ( 2.559 -8.541 -9.800) 13.249 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -12.179 -8.428 -9.807) 17.763 3.401 ( 22.236 6.419 -6.410) 24.016 3.703 ( 4.610 -1.500 12.109) 13.043 4.278 ( -2.768 -6.171 0.055) 6.764 4.670 ( 3.019 6.200 -2.441) 7.316 5.080 ( 1.483 3.306 -9.255) 9.939 5.236 ( -15.659 -1.001 7.183) 17.257 5.590 ( -5.701 -3.653 8.447) 10.825 6.388 ( 0.782 -9.040 -2.701) 9.467 6.821 ( 3.470 11.888 -9.976) 15.902 7.133 ( 8.922 -0.568 -1.796) 9.118 7.350 ( 10.451 -1.392 2.198) 10.770 8.236 ( 3.926 2.340 -1.643) 4.857 8.537 ( 8.842 -6.867 -1.735) 11.329 9.369 ( -0.709 -2.307 7.249) 7.640 9.825 ( -16.626 -0.095 -6.863) 17.987 11.367 ( -12.066 -2.633 10.962) 16.514 11.812 ( -5.382 10.547 4.872) 12.804 13.522 ( 28.946 -4.941 8.145) 30.474 14.013 ( -27.952 3.684 -18.495) 33.719 15.418 ( -21.612 -7.683 12.656) 26.197 15.972 ( 2.497 10.835 8.994) 14.301 18.390 ( 4.321 -2.979 -8.774) 10.224 18.451 ( 16.090 -1.812 -5.012) 16.950 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -16.668 1.119 -0.956) 16.733 3.656 ( -14.714 4.956 -0.770) 15.545 3.720 ( 10.904 -2.898 -1.027) 11.329 4.240 ( 7.974 -4.492 -3.411) 9.767 4.795 ( -0.567 8.647 4.177) 9.619 4.966 ( -11.461 -7.691 5.723) 14.941 5.086 ( 1.666 5.722 -12.798) 14.118 5.544 ( -1.153 -6.172 10.548) 12.275 6.347 ( 1.709 -2.621 0.367) 3.151 6.905 ( 2.248 8.411 -9.571) 12.938 7.179 ( 0.715 0.199 -1.186) 1.399 7.613 ( 16.071 0.757 -0.726) 16.105 8.245 ( -4.625 6.717 -3.635) 8.929 8.652 ( 9.343 3.805 -7.310) 12.458 9.429 ( 3.633 -6.046 9.106) 11.518 9.559 ( -5.136 -7.014 1.028) 8.754 11.129 ( -19.247 -4.127 10.166) 22.154 11.833 ( -1.229 0.027 0.375) 1.285 13.445 ( -26.756 8.236 -12.608) 30.703 14.083 ( 30.421 -5.722 7.507) 31.852 15.024 ( -26.014 -8.238 14.020) 30.678 16.093 ( 2.522 -0.420 -0.202) 2.565 18.435 ( 5.697 4.546 -6.087) 9.496 18.667 ( 12.473 2.046 -3.788) 13.195 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -18.496 12.127 9.295) 23.991 3.349 ( -24.160 8.518 -8.057) 26.855 3.701 ( -6.065 -9.491 5.486) 12.528 4.314 ( 4.505 -4.594 -3.497) 7.323 4.685 ( -13.768 -1.427 10.038) 17.098 4.959 ( 5.480 1.316 -2.490) 6.161 5.166 ( 9.514 7.373 -7.520) 14.192 5.570 ( 2.997 -5.684 10.028) 11.910 6.380 ( 1.332 2.330 1.249) 2.960 6.942 ( 0.351 5.186 -6.686) 8.469 7.124 ( -8.421 2.597 -2.643) 9.200 7.850 ( 13.650 0.282 -5.124) 14.582 8.221 ( -4.258 9.554 -2.407) 10.734 8.824 ( 9.020 12.423 -10.992) 18.882 9.346 ( -1.209 -7.150 -0.870) 7.304 9.672 ( 14.751 -13.168 16.942) 26.038 10.798 ( -20.975 -5.658 8.998) 23.514 11.759 ( -0.768 -9.177 -4.856) 10.411 13.073 ( -23.100 15.067 -6.109) 28.248 14.516 ( -6.429 -7.548 10.238) 14.252 14.636 ( 6.632 -7.590 13.160) 16.576 16.053 ( 2.803 -10.488 -8.609) 13.855 18.583 ( 6.267 10.713 -3.586) 12.919 18.852 ( 8.648 3.793 -2.971) 9.900 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -17.339 19.915 17.733) 31.807 2.935 ( -29.915 12.882 -11.213) 34.447 3.464 ( -15.630 -10.951 11.901) 22.491 4.256 ( -2.882 -5.202 1.161) 6.060 4.553 ( -8.549 0.040 8.574) 12.108 5.031 ( 6.147 -3.130 -3.109) 7.566 5.414 ( 12.905 8.091 -3.543) 15.638 5.651 ( 4.883 -3.571 8.660) 10.564 6.439 ( 0.302 5.201 0.323) 5.220 6.901 ( -13.832 7.644 -5.596) 16.765 6.953 ( -4.608 0.969 -2.735) 5.445 8.010 ( 11.140 -1.318 -8.184) 13.886 8.262 ( -2.532 9.491 2.672) 10.180 9.059 ( 10.452 13.245 -7.693) 18.543 9.311 ( 6.542 -4.501 -5.722) 9.788 9.900 ( 14.859 -16.376 16.318) 27.481 10.470 ( -17.588 -2.929 8.759) 19.866 11.568 ( -2.226 -15.595 -9.472) 18.382 12.892 ( -17.729 21.644 0.157) 27.979 14.062 ( -30.871 -8.866 16.805) 36.249 15.056 ( 26.468 -7.071 8.319) 28.631 15.898 ( 3.548 -16.283 -13.851) 21.670 18.784 ( 5.924 12.717 -2.923) 14.331 18.988 ( 5.262 3.605 -2.698) 6.926 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -0.000 1.173 20.135) 20.169 2.315 ( -0.000 -3.886 22.462) 22.796 4.188 ( -0.000 5.370 4.927) 7.288 4.306 ( 0.000 -27.464 -26.586) 38.224 4.691 ( 0.000 12.452 1.141) 12.504 4.979 ( -0.000 10.213 5.746) 11.719 5.612 ( -0.000 -8.251 6.409) 10.448 5.800 ( -0.000 1.609 4.379) 4.666 6.014 ( -0.000 1.568 6.680) 6.861 6.542 ( -0.000 -7.449 -0.830) 7.495 6.954 ( 0.000 5.728 -0.568) 5.756 7.603 ( 0.000 -1.511 -10.997) 11.100 7.893 ( -0.000 -16.476 1.357) 16.532 8.282 ( -0.000 -12.884 -2.333) 13.094 9.625 ( 0.000 4.280 -2.958) 5.203 10.911 ( 0.000 2.709 -1.159) 2.947 11.034 ( -0.000 17.390 7.719) 19.026 11.896 ( 0.000 13.795 -1.285) 13.855 12.207 ( -0.000 -2.785 15.280) 15.532 15.233 ( -0.000 26.553 22.841) 35.025 15.862 ( 0.000 9.326 -22.066) 23.955 16.185 ( 0.000 2.451 -5.920) 6.408 17.599 ( -0.000 -27.719 5.104) 28.185 18.562 ( 0.000 -12.534 -7.720) 14.721 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 3.796 2.422 10.502) 11.427 2.673 ( 20.828 -7.745 22.953) 31.948 3.842 ( -5.910 -22.259 -21.420) 31.452 4.245 ( -0.350 2.514 3.602) 4.407 4.819 ( -0.736 10.538 -0.973) 10.608 5.094 ( -2.668 10.370 2.132) 10.918 5.521 ( -1.062 -9.193 3.989) 10.077 5.898 ( 3.393 5.084 -1.057) 6.203 6.119 ( 5.945 -1.594 10.662) 12.311 6.460 ( 1.835 -10.498 -2.652) 10.983 6.960 ( -5.189 7.240 -0.207) 8.910 7.534 ( -3.784 -0.013 -8.396) 9.210 7.773 ( 5.037 -11.572 2.149) 12.802 8.226 ( 7.197 -11.774 0.189) 13.800 9.611 ( -4.146 3.540 -1.875) 5.765 10.777 ( -14.787 4.877 -5.290) 16.445 11.271 ( 5.047 8.822 6.686) 12.165 12.057 ( 3.326 12.276 0.398) 12.725 12.324 ( 6.040 -3.050 14.023) 15.570 15.541 ( -13.458 15.118 -4.584) 20.753 15.671 ( -7.568 16.041 -4.214) 18.230 16.122 ( -5.998 -1.853 2.673) 6.823 17.559 ( 17.558 -19.533 4.263) 26.608 18.400 ( 0.625 -11.341 -7.271) 13.486 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 16.773 5.638 -0.301) 17.698 3.102 ( 23.554 -11.413 20.637) 33.331 3.444 ( -7.762 -11.585 -13.312) 19.279 4.294 ( 1.634 0.156 4.330) 4.630 4.812 ( -8.497 7.857 -5.225) 12.698 5.094 ( -2.982 3.570 -4.239) 6.294 5.517 ( 1.026 -1.000 7.325) 7.464 5.876 ( -9.579 0.120 0.687) 9.605 6.320 ( 9.911 -4.905 -0.897) 11.094 6.415 ( 10.541 -4.700 -0.370) 11.548 6.974 ( -3.056 9.483 3.489) 10.556 7.354 ( -6.247 -5.527 -5.370) 9.921 7.884 ( 11.834 -2.426 2.236) 12.285 8.264 ( 8.451 -9.955 2.001) 13.211 9.539 ( -6.512 1.948 -0.145) 6.799 10.486 ( -19.660 5.322 -9.138) 22.323 11.439 ( 3.595 1.437 7.185) 8.162 12.144 ( -8.259 11.434 0.514) 14.114 12.587 ( 22.024 -6.949 10.992) 25.577 15.060 ( -31.053 9.381 -23.153) 39.855 15.885 ( 0.196 9.417 9.135) 13.121 15.990 ( -9.806 -3.144 9.198) 13.807 17.789 ( 22.252 -8.199 0.635) 23.723 18.290 ( 1.743 -6.396 -5.231) 8.445 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 20.228 6.189 -5.831) 21.942 3.182 ( -6.354 0.356 -4.178) 7.612 3.501 ( 19.871 -10.944 15.812) 27.652 4.312 ( -2.892 -2.846 1.041) 4.189 4.703 ( -4.651 6.621 -4.571) 9.293 5.055 ( -0.775 2.862 -7.650) 8.205 5.535 ( -8.058 1.918 6.653) 10.624 5.652 ( -9.102 -9.450 1.066) 13.164 6.317 ( 0.496 -1.569 1.668) 2.343 6.677 ( 15.845 4.090 -11.021) 19.730 7.087 ( 2.118 7.549 7.403) 10.783 7.224 ( 0.883 -5.091 -0.003) 5.167 8.107 ( 13.246 0.969 2.632) 13.539 8.328 ( 7.036 -7.020 2.372) 10.218 9.443 ( -5.815 -0.687 1.878) 6.149 10.123 ( -21.314 4.774 -11.024) 24.467 11.499 ( -1.057 -4.306 8.328) 9.435 12.034 ( -11.325 2.963 -2.566) 11.984 13.023 ( 28.949 -6.264 8.841) 30.911 14.486 ( -32.232 10.688 -18.168) 38.513 15.747 ( -16.398 -6.526 11.746) 21.201 16.018 ( 1.765 -0.630 -0.025) 1.874 18.114 ( 20.373 -0.134 -0.510) 20.380 18.284 ( 3.154 1.617 -1.757) 3.955 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -13.294 12.441 7.022) 19.515 3.387 ( 21.968 1.887 -9.458) 23.992 3.756 ( 10.624 -8.339 10.536) 17.129 4.143 ( -8.543 -1.503 -7.707) 11.604 4.774 ( 5.652 3.546 1.981) 6.960 5.022 ( -0.956 2.315 -7.736) 8.131 5.319 ( -18.874 2.485 4.858) 19.647 5.496 ( 0.550 -13.026 0.753) 13.060 6.367 ( -0.114 4.930 6.442) 8.113 6.811 ( 7.066 3.443 -14.612) 16.592 7.226 ( -0.504 8.160 5.402) 9.799 7.342 ( 14.904 -3.408 2.793) 15.542 8.333 ( 2.811 6.916 2.051) 7.741 8.421 ( 13.371 -4.052 0.464) 13.979 9.377 ( -0.570 -5.042 5.241) 7.295 9.745 ( -19.312 2.976 -10.285) 22.081 11.407 ( -10.887 -7.072 10.150) 16.479 11.825 ( -6.283 -7.013 -7.746) 12.193 13.523 ( 30.339 -5.813 8.042) 31.921 13.987 ( -28.848 13.979 -12.399) 34.371 15.439 ( -21.757 -7.414 13.754) 26.786 15.962 ( 2.544 -11.708 -9.075) 15.030 18.400 ( 4.367 8.890 1.013) 9.957 18.442 ( 16.132 4.650 -0.757) 16.806 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -16.088 17.135 12.490) 26.616 3.593 ( 8.572 -6.871 -3.516) 11.534 3.740 ( -14.453 5.710 -1.231) 15.588 4.077 ( 11.380 -5.603 -6.185) 14.112 4.871 ( -1.458 -5.459 4.748) 7.380 4.948 ( -3.519 -0.185 -1.599) 3.870 5.154 ( -5.973 11.773 -1.718) 13.313 5.454 ( 7.020 -9.662 2.753) 12.256 6.463 ( -1.749 7.532 8.072) 11.178 6.860 ( 6.065 1.604 -10.567) 12.289 7.292 ( -5.282 8.350 2.330) 10.151 7.578 ( 14.881 -1.864 -2.393) 15.187 8.388 ( -3.879 9.142 2.277) 10.188 8.666 ( 14.037 5.971 -6.122) 16.437 9.382 ( -3.809 -6.150 3.997) 8.265 9.466 ( -0.433 -4.476 0.160) 4.500 11.135 ( -19.225 -7.979 9.992) 23.089 11.605 ( -0.872 -15.186 -10.016) 18.213 13.611 ( -24.692 18.832 -4.918) 31.441 14.054 ( 30.789 -5.984 5.755) 31.889 15.054 ( -26.041 -8.030 15.556) 31.379 15.781 ( 3.403 -18.966 -14.888) 24.350 18.595 ( 5.022 12.422 1.460) 13.478 18.721 ( 11.151 6.415 -1.319) 12.932 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -14.746 16.323 14.808) 26.517 3.437 ( -21.069 7.567 -3.689) 22.688 3.580 ( -5.214 -4.934 -0.337) 7.186 4.175 ( 7.387 -6.601 -0.062) 9.907 4.740 ( -8.499 -2.453 6.661) 11.073 4.907 ( 2.096 -2.675 -3.235) 4.692 5.297 ( 7.402 10.205 -2.375) 12.829 5.545 ( 8.163 -4.638 3.775) 10.119 6.544 ( -3.082 7.122 7.425) 10.740 6.914 ( 4.919 1.176 -5.833) 7.721 7.213 ( -13.706 9.365 -3.728) 17.014 7.753 ( 11.467 -2.255 -6.786) 13.514 8.447 ( -3.853 12.882 4.264) 14.105 8.919 ( 13.694 9.490 -10.584) 19.738 9.221 ( -4.432 -1.882 -3.285) 5.829 9.602 ( 14.094 -14.134 14.059) 24.414 10.791 ( -18.921 -6.900 10.412) 22.673 11.361 ( -0.815 -19.031 -10.744) 21.870 13.430 ( -19.554 24.082 -0.237) 31.021 14.498 ( 10.161 -6.597 7.979) 14.506 14.657 ( -9.677 -8.057 14.592) 19.273 15.545 ( 4.794 -21.899 -16.592) 27.890 18.805 ( 4.765 11.973 -0.216) 12.888 18.916 ( 6.526 5.637 -2.424) 8.958 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -0.000 -7.972 16.129) 17.992 2.472 ( -0.000 -5.228 15.801) 16.644 3.587 ( 0.000 -13.355 -14.946) 20.043 4.288 ( -0.000 1.257 2.481) 2.781 4.951 ( 0.000 12.400 0.551) 12.412 5.248 ( 0.000 10.582 1.599) 10.702 5.401 ( -0.000 -12.587 -3.090) 12.961 5.849 ( 0.000 0.248 -0.145) 0.287 6.181 ( -0.000 0.764 10.018) 10.047 6.323 ( -0.000 -10.279 -2.173) 10.507 7.080 ( 0.000 9.000 -1.331) 9.098 7.575 ( 0.000 7.045 -4.306) 8.257 7.605 ( -0.000 -15.611 3.068) 15.910 8.061 ( -0.000 -9.322 1.555) 9.451 9.667 ( 0.000 3.242 -2.072) 3.848 10.929 ( 0.000 1.724 -2.894) 3.369 11.310 ( 0.000 7.670 -1.425) 7.801 12.036 ( -0.000 -1.371 5.755) 5.916 12.410 ( -0.000 4.875 6.655) 8.249 15.771 ( 0.000 13.427 -26.014) 29.275 15.841 ( -0.000 11.389 9.601) 14.896 16.173 ( 0.000 3.499 -5.004) 6.106 17.254 ( -0.000 -20.444 16.529) 26.290 18.263 ( 0.000 -7.867 -3.585) 8.645 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 4.888 -3.245 5.340) 7.933 2.729 ( 19.729 -13.004 17.599) 29.463 3.431 ( -3.983 1.540 -4.225) 6.007 4.303 ( -0.307 -0.659 2.927) 3.016 5.018 ( -6.191 10.897 -2.452) 12.771 5.143 ( -6.714 -5.154 -5.339) 10.008 5.438 ( 7.321 -1.562 -0.352) 7.494 5.927 ( 6.710 1.071 -5.681) 8.857 6.161 ( -1.213 -4.930 7.462) 9.026 6.295 ( 2.718 -3.654 3.004) 5.456 7.142 ( -2.816 10.799 0.271) 11.164 7.394 ( -7.699 -8.977 0.970) 11.866 7.718 ( 8.366 2.575 0.776) 8.787 8.066 ( 6.967 -6.636 3.625) 10.282 9.647 ( -4.187 2.110 -1.301) 4.866 10.777 ( -15.014 3.317 -6.925) 16.864 11.399 ( 4.783 0.721 -0.420) 4.855 12.162 ( 11.525 -1.080 2.299) 11.802 12.431 ( -2.042 -2.556 4.311) 5.412 15.507 ( -24.365 14.617 -24.303) 37.389 15.949 ( 1.365 -0.179 -0.290) 1.407 16.132 ( -5.150 -1.333 2.323) 5.805 17.389 ( 18.753 -8.900 13.632) 24.834 18.220 ( 0.835 -0.620 1.545) 1.863 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 17.653 0.187 -5.146) 18.389 3.058 ( 22.556 -15.931 15.551) 31.693 3.431 ( -6.680 14.737 6.013) 17.261 4.301 ( 0.187 -3.785 2.009) 4.289 4.882 ( -10.942 3.992 -4.138) 12.361 5.044 ( -0.955 1.474 -7.024) 7.240 5.462 ( 3.127 -10.170 -5.314) 11.893 5.861 ( -10.379 0.920 0.824) 10.452 6.329 ( 10.961 4.479 1.205) 11.902 6.352 ( 8.565 -2.398 2.701) 9.295 7.140 ( -3.343 -4.680 0.613) 5.784 7.292 ( -3.280 8.115 6.171) 10.710 7.908 ( 11.400 0.602 1.980) 11.586 8.183 ( 8.117 -1.782 4.793) 9.593 9.556 ( -6.972 0.078 -0.367) 6.982 10.455 ( -20.338 4.858 -11.151) 23.697 11.450 ( 3.918 -6.387 1.477) 7.637 12.177 ( -8.367 -2.601 -8.127) 11.951 12.573 ( 22.305 -7.944 9.594) 25.548 15.034 ( -30.976 15.526 -19.076) 39.554 15.881 ( 1.192 -11.676 -8.513) 14.499 16.001 ( -10.438 -5.418 8.146) 14.306 17.783 ( 21.998 1.950 7.907) 23.457 18.297 ( 1.792 6.857 5.434) 8.930 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 23.985 0.831 -11.703) 26.701 3.346 ( 14.844 -8.627 12.664) 21.334 3.524 ( -5.206 11.750 9.486) 15.973 4.233 ( -4.653 -2.732 -2.387) 5.900 4.791 ( -2.663 3.840 1.227) 4.832 5.015 ( 0.289 3.631 -7.165) 8.038 5.308 ( 0.733 -15.704 -7.498) 17.417 5.668 ( -15.479 1.843 2.877) 15.851 6.479 ( 2.384 7.750 8.086) 11.451 6.578 ( 12.289 2.053 -10.530) 16.313 7.113 ( 7.882 -8.019 5.605) 12.564 7.397 ( -2.675 11.453 7.785) 14.104 8.137 ( 14.778 -1.288 1.930) 14.959 8.354 ( 6.301 5.058 5.825) 9.961 9.423 ( -6.753 -3.019 0.602) 7.421 10.068 ( -22.008 5.530 -13.409) 26.358 11.420 ( 2.105 -12.289 1.324) 12.538 11.871 ( -13.775 -9.161 -7.313) 18.088 13.002 ( 29.213 -6.458 7.282) 30.792 14.568 ( -30.447 17.374 -13.500) 37.565 15.675 ( 2.402 -20.320 -15.416) 25.619 15.782 ( -16.349 -6.703 12.257) 21.504 18.218 ( 18.694 7.726 4.548) 20.732 18.464 ( 2.695 11.163 6.227) 13.064 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 20.998 -2.961 -12.477) 24.604 3.473 ( -13.488 13.154 9.929) 21.296 3.647 ( 18.122 -13.484 6.765) 23.579 4.081 ( -11.492 5.390 -5.471) 13.822 4.840 ( 2.240 -1.661 5.306) 5.994 4.984 ( -4.506 0.355 -5.549) 7.157 5.212 ( 9.723 -7.672 -4.038) 13.027 5.450 ( -14.532 5.521 1.775) 15.646 6.642 ( 0.815 8.531 7.566) 11.432 6.670 ( 6.246 1.604 -9.227) 11.258 7.291 ( 15.125 -5.352 2.975) 16.318 7.491 ( -4.576 9.899 6.430) 12.660 8.399 ( 15.298 0.650 1.833) 15.421 8.553 ( 2.812 11.666 4.291) 12.744 9.311 ( -0.774 -7.410 3.779) 8.354 9.676 ( -20.060 5.134 -13.295) 24.607 11.299 ( 0.185 -16.848 -0.867) 16.872 11.479 ( -16.055 -11.790 -3.193) 20.173 13.495 ( 31.423 -6.008 5.616) 32.481 14.203 ( -26.166 20.300 -8.025) 34.076 15.395 ( 3.989 -24.995 -18.736) 31.492 15.481 ( -21.739 -7.352 15.136) 27.491 18.593 ( 13.167 9.412 1.626) 16.266 18.665 ( 3.305 12.098 4.555) 13.343 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 10.469 -7.136 -7.028) 14.488 3.384 ( -11.414 5.499 7.028) 14.488 3.888 ( -4.956 3.631 -9.922) 11.670 3.888 ( 5.622 -2.476 9.922) 11.670 4.848 ( -2.495 -4.052 -6.554) 8.100 4.848 ( -2.262 -4.187 6.554) 8.100 5.368 ( 3.045 5.165 -2.921) 6.669 5.368 ( 2.950 5.219 2.921) 6.669 6.745 ( 9.005 0.038 -9.097) 12.800 6.745 ( -4.469 7.817 9.097) 12.800 7.494 ( 12.267 -3.326 -2.018) 12.869 7.494 ( -9.014 8.960 2.018) 12.869 8.683 ( 8.910 7.099 -12.242) 16.723 8.683 ( 1.693 11.265 12.242) 16.723 9.351 ( -11.495 2.513 -13.106) 17.613 9.351 ( 7.924 -8.698 13.106) 17.613 11.095 ( 0.222 -20.097 -11.808) 23.310 11.095 ( -17.515 -9.856 11.808) 23.310 13.994 ( -0.529 12.742 -4.860) 13.648 13.994 ( 11.300 5.913 4.860) 13.648 15.110 ( 6.144 -26.188 -17.635) 32.165 15.110 ( -25.752 -7.773 17.635) 32.165 18.851 ( 7.450 7.952 -1.496) 10.998 18.851 ( 3.161 10.427 1.496) 10.998 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.000 -12.201 10.285) 15.957 2.476 ( -0.000 -11.779 11.025) 16.133 3.561 ( -0.000 16.501 5.945) 17.540 4.316 ( -0.000 -1.945 2.515) 3.179 5.055 ( 0.000 -8.192 -6.544) 10.485 5.202 ( 0.000 6.866 -3.686) 7.793 5.318 ( 0.000 -3.943 -4.575) 6.040 5.793 ( 0.000 -1.249 -5.706) 5.842 6.236 ( -0.000 -6.840 8.433) 10.858 6.246 ( -0.000 3.797 3.129) 4.920 7.259 ( 0.000 6.632 -1.740) 6.856 7.402 ( -0.000 -6.692 6.252) 9.158 7.689 ( 0.000 5.556 -0.021) 5.556 7.990 ( -0.000 -1.227 5.584) 5.717 9.694 ( 0.000 1.648 -1.233) 2.058 10.906 ( 0.000 1.145 -4.910) 5.042 11.317 ( 0.000 -1.336 -7.560) 7.677 12.038 ( -0.000 -4.744 4.430) 6.491 12.422 ( 0.000 -6.422 -2.240) 6.802 15.750 ( 0.000 17.087 -23.870) 29.356 15.832 ( 0.000 -12.515 -9.310) 15.599 16.167 ( 0.000 3.183 -5.786) 6.604 17.261 ( -0.000 -7.028 26.406) 27.325 18.269 ( -0.000 5.878 7.366) 9.424 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 6.132 -8.642 0.316) 10.601 2.622 ( 19.012 -17.839 13.090) 29.173 3.796 ( -5.026 26.180 12.287) 29.353 4.282 ( -1.440 -4.903 1.270) 5.266 4.915 ( 0.221 -8.150 -6.455) 10.399 5.117 ( -7.763 1.425 -6.902) 10.485 5.283 ( 1.867 -5.103 -7.430) 9.205 5.849 ( 8.955 0.808 -8.260) 12.210 6.187 ( -0.480 -6.931 10.496) 12.587 6.375 ( 3.631 7.237 5.377) 9.719 7.167 ( -6.159 -8.464 1.044) 10.519 7.467 ( -0.889 11.734 5.487) 12.984 7.788 ( 5.736 1.853 2.450) 6.507 8.102 ( 6.074 4.349 6.266) 9.750 9.657 ( -4.822 0.349 -0.806) 4.901 10.733 ( -15.218 2.765 -9.281) 18.038 11.276 ( 5.142 -9.336 -7.295) 12.916 12.106 ( 7.459 -3.047 -5.840) 9.951 12.317 ( 2.290 -11.497 5.350) 12.886 15.506 ( -16.889 3.771 -18.995) 25.696 15.638 ( -4.672 -7.833 -18.739) 20.840 16.139 ( -4.267 -0.322 2.249) 4.834 17.558 ( 16.591 2.897 20.922) 26.859 18.410 ( 0.689 9.874 9.585) 13.779 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 18.729 -4.965 -9.738) 21.685 2.886 ( 23.714 -19.823 12.412) 33.307 3.943 ( -12.160 14.105 5.856) 19.522 4.244 ( -0.376 1.989 3.747) 4.258 4.871 ( 1.227 0.516 -0.548) 1.440 4.956 ( -0.837 -5.497 -9.026) 10.601 5.163 ( -4.118 -3.422 -8.283) 9.863 5.856 ( -4.343 0.155 -5.161) 6.747 6.293 ( 12.005 -3.172 2.708) 12.709 6.573 ( 5.406 8.937 7.328) 12.759 7.014 ( -1.998 -9.242 4.760) 10.586 7.610 ( -2.129 12.673 7.706) 14.984 7.943 ( 9.361 1.303 2.777) 9.850 8.332 ( 8.307 8.699 7.091) 13.963 9.531 ( -8.454 -1.858 -0.794) 8.692 10.392 ( -20.215 4.870 -13.665) 24.882 11.182 ( 4.878 -17.432 -8.450) 19.977 11.954 ( -9.346 -7.661 -5.562) 13.303 12.535 ( 23.386 -7.274 7.851) 25.719 15.111 ( -21.630 7.243 -16.853) 28.361 15.316 ( -4.040 -16.044 -20.131) 26.058 16.032 ( -10.557 -4.016 9.656) 14.860 18.039 ( 18.651 9.907 12.608) 24.596 18.589 ( 1.288 11.127 8.650) 14.152 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 24.254 -3.615 -15.398) 28.955 3.174 ( 23.973 -18.426 9.944) 31.829 3.783 ( -11.005 -2.581 -2.247) 11.525 4.271 ( -6.344 5.587 1.793) 8.642 4.828 ( 0.610 -7.678 -1.475) 7.842 4.954 ( 0.538 -1.442 -5.569) 5.778 5.088 ( 1.546 10.081 0.713) 10.224 5.700 ( -10.358 1.459 -3.107) 10.912 6.452 ( 9.005 0.690 -7.034) 11.448 6.792 ( 3.430 7.860 8.332) 11.957 7.028 ( 10.091 -9.381 7.468) 15.672 7.716 ( -4.819 10.265 8.532) 14.191 8.175 ( 13.577 3.315 2.218) 14.151 8.627 ( 7.655 13.269 8.678) 17.606 9.346 ( -8.462 -4.375 -0.666) 9.549 9.996 ( -21.756 6.016 -15.639) 27.461 11.003 ( 4.169 -21.511 -11.184) 24.600 11.665 ( -14.016 -9.225 3.595) 17.160 12.959 ( 28.984 -5.830 4.770) 29.947 14.745 ( -19.776 9.747 -12.465) 25.327 14.963 ( -1.766 -19.478 -19.803) 27.833 15.830 ( -16.428 -5.946 13.720) 22.214 18.488 ( 14.272 11.930 6.073) 19.568 18.768 ( 1.721 10.483 5.944) 12.173 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -0.000 -16.677 6.035) 17.735 2.304 ( -0.000 -17.633 7.392) 19.120 4.222 ( -0.000 32.392 13.791) 35.206 4.236 ( -0.000 -8.581 -1.786) 8.765 4.762 ( 0.000 -9.323 -8.192) 12.411 5.041 ( 0.000 -12.533 -7.530) 14.622 5.280 ( 0.000 6.210 -7.669) 9.868 5.701 ( 0.000 -0.690 -5.808) 5.849 6.183 ( -0.000 -9.545 10.473) 14.170 6.456 ( -0.000 8.599 5.442) 10.176 7.146 ( -0.000 -9.587 0.948) 9.634 7.621 ( -0.000 13.342 3.983) 13.923 7.795 ( -0.000 4.088 6.011) 7.269 8.161 ( -0.000 9.123 7.085) 11.551 9.699 ( 0.000 0.069 -0.449) 0.454 10.850 ( 0.000 0.869 -6.899) 6.953 11.032 ( 0.000 -13.442 -15.762) 20.715 11.960 ( 0.000 -3.421 -4.344) 5.529 12.225 ( -0.000 -11.760 4.624) 12.636 15.214 ( 0.000 -28.126 -20.525) 34.819 15.801 ( 0.000 16.017 -19.841) 25.499 16.175 ( 0.000 4.629 -4.995) 6.810 17.610 ( -0.000 4.978 29.147) 29.569 18.569 ( -0.000 10.516 10.340) 14.748 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 7.091 -13.642 -3.341) 15.734 2.383 ( 19.686 -22.127 10.883) 31.553 4.058 ( -4.757 -12.535 -7.277) 15.255 4.473 ( -7.469 12.077 3.485) 14.621 4.719 ( 5.892 -1.671 -9.606) 11.393 4.914 ( 0.096 0.557 3.011) 3.064 5.229 ( -5.222 3.898 -5.911) 8.798 5.747 ( 7.841 -0.131 -8.202) 11.348 6.182 ( 2.836 -7.608 12.323) 14.757 6.595 ( 4.034 5.173 5.156) 8.344 7.018 ( -4.113 -8.364 1.929) 9.519 7.786 ( 1.071 13.000 4.680) 13.859 7.914 ( 1.808 6.416 7.381) 9.945 8.362 ( 5.625 12.529 8.417) 16.108 9.641 ( -6.222 -1.170 -0.477) 6.349 10.635 ( -13.529 0.811 -14.794) 20.064 10.852 ( 3.716 -17.965 -12.148) 22.003 11.935 ( 0.773 -3.568 -7.371) 8.225 12.218 ( 9.981 -10.117 10.703) 17.791 14.799 ( 1.517 -31.133 -22.243) 38.292 15.643 ( -19.578 16.491 -18.915) 31.828 16.173 ( -3.535 0.948 2.039) 4.189 17.975 ( 12.643 10.119 22.367) 27.614 18.734 ( 0.412 9.772 8.803) 13.158 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 20.248 -8.810 -13.031) 25.640 2.626 ( 25.495 -22.490 12.117) 36.092 3.772 ( -4.971 -16.058 -11.284) 20.246 4.384 ( -4.983 -3.724 -2.371) 6.658 4.635 ( 2.883 -9.266 -10.611) 14.380 5.059 ( -4.423 10.631 1.520) 11.615 5.212 ( -0.132 12.973 4.909) 13.871 5.758 ( -0.624 0.408 -9.413) 9.443 6.305 ( 8.223 -1.976 7.135) 11.065 6.741 ( 7.699 -1.854 4.694) 9.206 6.930 ( 0.148 -5.482 4.809) 7.294 7.943 ( -2.291 11.003 7.777) 13.668 8.067 ( 5.838 6.364 3.700) 9.395 8.691 ( 8.578 17.069 10.684) 21.888 9.472 ( -10.239 -2.430 -1.087) 10.579 10.297 ( -18.394 5.273 -16.874) 25.512 10.639 ( 4.198 -21.847 -11.422) 25.007 11.791 ( -8.190 -7.351 2.048) 11.194 12.490 ( 23.174 -6.259 5.690) 24.669 14.397 ( 4.036 -31.953 -21.536) 38.744 15.320 ( -23.453 17.441 -15.182) 32.935 16.084 ( -10.114 -3.109 9.449) 14.186 18.431 ( 13.442 12.858 12.204) 22.248 18.878 ( 0.636 8.305 6.019) 10.277 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.000 -21.457 4.572) 21.938 1.994 ( -0.000 -22.714 5.879) 23.462 3.868 ( 0.000 -20.157 -13.793) 24.425 4.511 ( 0.000 -6.691 -7.162) 9.801 4.582 ( 0.000 -5.535 -12.660) 13.817 5.107 ( -0.000 23.393 11.122) 25.902 5.277 ( 0.000 2.782 -4.360) 5.171 5.625 ( 0.000 -0.841 -2.374) 2.519 6.158 ( -0.000 -7.636 11.457) 13.768 6.621 ( -0.000 1.174 4.440) 4.592 6.975 ( -0.000 -8.184 -0.555) 8.202 7.912 ( 0.000 11.529 1.906) 11.685 8.055 ( -0.000 10.752 10.090) 14.745 8.512 ( -0.000 16.475 11.377) 20.022 9.689 ( -0.000 -0.952 0.444) 1.050 10.450 ( 0.000 -19.816 -20.436) 28.466 10.768 ( 0.000 0.740 -8.492) 8.524 11.833 ( 0.000 -1.513 -6.621) 6.792 12.118 ( -0.000 -10.972 11.710) 16.047 14.327 ( 0.000 -33.178 -22.911) 40.320 15.852 ( 0.000 13.287 -16.965) 21.549 16.215 ( 0.000 5.473 -4.292) 6.955 18.121 ( -0.000 10.075 25.989) 27.874 18.869 ( -0.000 7.947 7.421) 10.873 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 8.041 -17.869 -5.120) 20.253 2.060 ( 22.371 -25.741 12.095) 36.185 3.524 ( -1.298 -25.367 -18.884) 31.651 4.370 ( -3.729 -6.548 -5.558) 9.363 4.448 ( 1.545 -7.470 -11.131) 13.494 5.224 ( -5.150 3.959 -0.615) 6.525 5.386 ( 1.836 16.615 1.821) 16.816 5.684 ( 3.862 3.486 -1.071) 5.312 6.208 ( 6.015 -6.086 12.375) 15.045 6.659 ( 1.964 -2.867 2.748) 4.431 6.890 ( -0.122 -6.250 -0.245) 6.256 8.028 ( 2.068 7.429 0.015) 7.711 8.197 ( -2.498 9.870 7.927) 12.903 8.833 ( 5.502 21.405 14.556) 26.463 9.607 ( -7.977 -1.473 0.010) 8.112 10.203 ( 6.309 -15.295 -17.161) 23.837 10.588 ( -14.054 -0.476 -9.611) 17.033 11.810 ( 0.172 -3.357 -2.010) 3.916 12.169 ( 11.038 -8.646 9.954) 17.195 13.883 ( 2.769 -33.151 -21.577) 39.651 15.717 ( -16.255 14.187 -16.400) 27.101 16.225 ( -3.236 1.980 1.649) 4.137 18.457 ( 8.632 11.505 18.634) 23.539 18.978 ( 0.104 6.093 5.133) 7.968 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -0.000 -26.330 7.525) 27.384 1.589 ( -0.000 -27.131 7.034) 28.028 3.109 ( 0.000 -32.384 -24.595) 40.665 4.303 ( 0.000 -5.957 -9.529) 11.238 4.314 ( 0.000 -4.994 -5.938) 7.759 5.305 ( -0.000 1.554 2.081) 2.597 5.411 ( 0.000 3.589 -7.698) 8.494 5.780 ( -0.000 12.560 8.672) 15.263 6.161 ( -0.000 -6.460 10.105) 11.993 6.637 ( -0.000 -3.533 3.391) 4.896 6.821 ( 0.000 -5.020 -3.185) 5.945 8.052 ( 0.000 3.010 -4.806) 5.670 8.355 ( -0.000 8.698 5.514) 10.298 9.119 ( -0.000 24.582 18.065) 30.506 9.686 ( -0.000 -0.567 2.510) 2.573 9.877 ( 0.000 -13.302 -14.848) 19.935 10.669 ( 0.000 0.900 -9.300) 9.343 11.745 ( 0.000 -0.884 -3.466) 3.577 12.074 ( -0.000 -9.910 12.956) 16.312 13.406 ( 0.000 -32.380 -20.264) 38.198 15.884 ( 0.000 10.999 -15.130) 18.705 16.274 ( 0.000 5.815 -3.887) 6.995 18.611 ( -0.000 9.483 19.930) 22.071 19.055 ( -0.000 4.170 3.620) 5.522 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.000 0.000 36.444) 36.444 1.436 ( -0.000 0.000 36.444) 36.444 2.025 ( -0.000 0.000 50.910) 50.910 4.196 ( -0.000 0.000 3.241) 3.241 4.196 ( -0.000 0.000 3.241) 3.241 5.286 ( -0.000 0.000 4.100) 4.100 5.286 ( -0.000 0.000 4.100) 4.100 6.392 ( 0.000 -0.000 -8.206) 8.206 6.396 ( -0.000 0.000 5.490) 5.490 6.396 ( -0.000 0.000 5.490) 5.490 6.793 ( -0.000 0.000 1.829) 1.829 8.490 ( 0.000 -0.000 -8.258) 8.258 8.981 ( -0.000 0.000 9.767) 9.767 9.508 ( 0.000 -0.000 -4.573) 4.573 9.508 ( 0.000 -0.000 -4.573) 4.573 10.237 ( 0.000 -0.000 -9.471) 9.471 10.237 ( 0.000 -0.000 -9.471) 9.471 10.590 ( 0.000 -0.000 -4.658) 4.658 12.385 ( -0.000 0.000 22.242) 22.242 12.385 ( -0.000 0.000 22.242) 22.242 16.209 ( 0.000 -0.000 -11.499) 11.499 16.209 ( 0.000 -0.000 -11.499) 11.499 19.154 ( 0.000 -0.000 -0.260) 0.260 19.209 ( 0.000 -0.000 -0.746) 0.746 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -8.887 -5.131 34.833) 36.313 1.998 ( 17.070 9.855 32.600) 38.096 2.534 ( 12.935 7.468 43.886) 46.358 4.156 ( -1.718 -0.992 2.403) 3.116 4.321 ( 5.448 3.145 4.555) 7.767 5.260 ( -2.650 -1.530 4.081) 5.101 5.465 ( 10.935 6.313 3.901) 13.215 6.215 ( -7.601 -4.389 -7.069) 11.270 6.274 ( -9.768 -5.640 5.695) 12.635 6.576 ( 7.513 4.338 2.911) 9.151 6.804 ( -1.120 -0.647 2.359) 2.691 8.386 ( -4.229 -2.442 -10.393) 11.483 8.708 ( -18.208 -10.512 15.266) 25.983 9.469 ( -2.715 -1.568 -3.251) 4.516 9.521 ( 3.194 1.844 -2.342) 4.369 10.163 ( -7.717 -4.456 -10.652) 13.888 10.362 ( 17.976 10.378 -19.973) 28.806 10.726 ( 9.584 5.533 0.819) 11.097 12.378 ( -1.133 -0.654 19.094) 19.139 12.824 ( 13.810 7.973 27.148) 31.484 15.972 ( -8.433 -4.869 -16.156) 18.864 16.230 ( 1.318 0.761 -6.652) 6.824 19.096 ( -7.015 -4.050 -1.164) 8.183 19.136 ( -1.313 -0.758 -0.866) 1.746 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 10.333 5.966 21.119) 24.256 2.576 ( 16.920 9.769 27.167) 33.462 3.063 ( 11.116 6.418 34.978) 37.259 4.164 ( 0.979 0.565 3.438) 3.619 4.492 ( 6.725 3.883 6.329) 10.018 5.200 ( -4.842 -2.796 2.850) 6.276 5.791 ( 15.364 8.871 -1.068) 17.773 5.971 ( -9.270 -5.352 -9.331) 14.200 6.087 ( -8.922 -5.151 7.495) 12.740 6.754 ( -4.513 -2.605 2.888) 5.958 6.763 ( 7.500 4.330 2.407) 8.989 8.169 ( -8.255 -4.766 -13.556) 16.572 8.540 ( -5.116 -2.954 12.496) 13.822 9.368 ( -4.310 -2.489 -2.951) 5.786 9.599 ( 1.684 0.972 1.017) 2.194 9.896 ( -6.856 -3.958 -11.347) 13.835 10.565 ( 10.799 6.235 -19.032) 22.753 10.918 ( 4.033 2.329 9.860) 10.904 12.574 ( 8.874 5.123 14.348) 17.631 13.335 ( 15.559 8.983 29.644) 34.664 15.629 ( -11.831 -6.831 -20.430) 24.577 16.165 ( -5.763 -3.327 1.315) 6.783 18.946 ( -4.157 -2.400 -5.026) 6.950 19.084 ( -2.342 -1.352 -2.706) 3.825 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 22.929 13.238 7.476) 27.511 3.066 ( 12.589 7.268 20.393) 25.044 3.452 ( 6.164 3.559 25.621) 26.591 4.242 ( 3.156 1.822 5.521) 6.615 4.693 ( 6.941 4.008 7.649) 11.080 5.082 ( -6.716 -3.877 1.658) 7.930 5.697 ( -9.132 -5.272 -11.113) 15.320 5.811 ( -6.773 -3.911 -7.540) 10.864 6.274 ( 15.976 9.224 7.924) 20.078 6.672 ( -3.598 -2.077 3.882) 5.686 6.926 ( 5.731 3.309 0.571) 6.642 7.864 ( -10.058 -5.807 -15.906) 19.695 8.588 ( 2.941 1.698 6.040) 6.929 9.250 ( -4.891 -2.824 -0.603) 5.680 9.402 ( -13.178 -7.608 -11.825) 19.271 9.921 ( 7.257 4.190 5.936) 10.269 10.621 ( 4.174 2.410 -14.252) 15.044 11.032 ( -1.164 -0.672 17.217) 17.269 12.940 ( 16.212 9.360 10.906) 21.665 13.884 ( 16.435 9.489 29.879) 35.397 15.187 ( -14.908 -8.607 -24.099) 29.616 15.990 ( -12.411 -7.166 8.062) 16.443 18.853 ( -0.268 -0.155 -8.839) 8.845 19.000 ( -2.717 -1.569 -5.658) 6.470 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 27.958 16.142 -0.122) 32.284 3.359 ( 3.832 2.212 11.352) 12.184 3.649 ( -0.476 -0.275 15.315) 15.325 4.354 ( 2.347 1.355 7.724) 8.185 4.874 ( 4.099 2.367 8.424) 9.662 4.939 ( -6.871 -3.967 2.299) 8.260 5.442 ( -6.263 -3.616 -12.906) 14.794 5.608 ( -6.379 -3.683 -6.822) 10.039 6.541 ( 4.720 2.725 -6.849) 8.753 6.809 ( 13.902 8.026 12.024) 20.056 7.000 ( 0.306 0.176 -1.676) 1.712 7.559 ( -6.844 -3.951 -15.567) 17.458 8.687 ( 3.909 2.257 -4.570) 6.423 8.990 ( -15.083 -8.708 -15.998) 23.649 9.176 ( -2.201 -1.271 6.881) 7.335 10.145 ( 5.613 3.241 14.741) 16.103 10.591 ( 0.131 0.076 -8.864) 8.865 11.102 ( -2.938 -1.696 21.179) 21.449 13.415 ( 19.982 11.536 9.470) 24.941 14.436 ( 16.290 9.405 28.018) 33.747 14.665 ( -17.140 -9.896 -26.588) 33.146 15.717 ( -17.796 -10.274 12.647) 24.129 18.818 ( 2.514 1.452 -10.543) 10.936 18.896 ( -2.181 -1.259 -9.349) 9.682 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 27.545 15.903 -2.928) 31.941 3.366 ( -6.268 -3.619 0.623) 7.265 3.610 ( -8.330 -4.809 3.829) 10.352 4.403 ( -4.334 -2.502 10.793) 11.897 4.803 ( -6.583 -3.801 2.026) 7.866 4.967 ( -0.360 -0.208 7.451) 7.462 5.280 ( -0.395 -0.228 -13.642) 13.650 5.468 ( -2.945 -1.700 -2.858) 4.442 6.600 ( 6.360 3.672 -9.322) 11.868 6.897 ( -6.993 -4.037 -3.425) 8.771 7.231 ( 16.622 9.597 7.387) 20.566 7.408 ( 0.303 0.175 -11.222) 11.228 8.544 ( -14.567 -8.410 -18.211) 24.790 8.670 ( 0.420 0.242 -13.173) 13.181 9.266 ( 3.953 2.282 12.384) 13.199 10.313 ( -1.701 -0.982 21.347) 21.438 10.531 ( -1.711 -0.988 -3.181) 3.745 11.196 ( -0.167 -0.096 21.088) 21.089 13.876 ( 8.422 4.863 -3.228) 10.247 14.155 ( -5.719 -3.302 -14.696) 16.111 14.957 ( 15.158 8.751 24.538) 30.140 15.359 ( -22.112 -12.766 15.517) 29.878 18.790 ( -0.761 -0.439 -13.303) 13.332 18.827 ( 4.166 2.405 -10.387) 11.447 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -13.367 -7.717 -8.340) 17.544 3.294 ( -15.792 -9.117 -8.928) 20.303 3.842 ( 22.661 13.084 1.539) 26.212 4.260 ( -14.867 -8.583 12.807) 21.418 4.681 ( -5.197 -3.001 0.042) 6.001 4.962 ( -2.524 -1.457 3.836) 4.817 5.233 ( 2.679 1.546 -11.643) 12.047 5.449 ( 1.344 0.776 1.763) 2.349 6.698 ( 7.288 4.208 -10.292) 13.294 6.720 ( -6.346 -3.664 -2.166) 7.642 7.354 ( -1.831 -1.057 -6.921) 7.237 7.622 ( 15.251 8.805 2.807) 17.833 8.145 ( -9.312 -5.376 -18.606) 21.490 8.597 ( 2.275 1.314 -15.341) 15.565 9.455 ( 5.647 3.260 9.955) 11.900 10.328 ( -9.825 -5.672 25.151) 27.591 10.489 ( -1.625 -0.938 2.749) 3.329 11.363 ( 3.456 1.995 18.246) 18.678 13.440 ( -18.134 -10.470 -27.712) 34.734 14.536 ( 20.117 11.614 12.129) 26.205 14.928 ( -25.586 -14.772 17.403) 34.289 15.418 ( 13.281 7.668 19.873) 25.101 18.698 ( 1.233 0.712 -17.114) 17.173 18.868 ( 4.923 2.842 -9.133) 10.758 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -18.320 -10.577 -14.071) 25.407 2.797 ( -21.225 -12.254 -14.329) 28.390 3.944 ( -20.130 -11.622 14.057) 27.165 4.254 ( 9.458 5.461 8.117) 13.607 4.546 ( -7.080 -4.088 0.785) 8.213 4.973 ( 4.854 2.802 -0.958) 5.686 5.241 ( 3.395 1.960 -7.685) 8.627 5.527 ( 4.082 2.357 1.776) 5.037 6.579 ( -5.102 -2.946 -4.664) 7.514 6.761 ( 3.259 1.882 -8.966) 9.724 7.183 ( -10.023 -5.787 -3.378) 12.057 7.944 ( 12.947 7.475 -1.046) 14.987 7.952 ( 1.216 0.702 -13.527) 13.600 8.617 ( 9.257 5.344 -17.077) 20.147 9.614 ( 3.874 2.237 5.118) 6.797 10.216 ( -13.725 -7.924 24.840) 29.465 10.503 ( -0.138 -0.080 8.137) 8.139 11.553 ( 3.709 2.141 14.244) 14.874 12.879 ( -16.466 -9.506 -24.798) 31.248 14.441 ( -27.998 -16.165 18.546) 37.271 15.052 ( 18.006 10.396 14.718) 25.473 15.798 ( 10.833 6.255 14.714) 19.312 18.630 ( 3.416 1.972 -20.397) 20.774 18.927 ( 4.970 2.869 -7.381) 9.349 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -22.158 -12.793 -15.325) 29.824 2.196 ( -23.760 -13.718 -14.179) 30.883 3.554 ( -23.896 -13.796 18.451) 33.194 4.352 ( -3.974 -2.294 10.856) 11.785 4.401 ( -6.448 -3.723 3.600) 8.270 5.190 ( 12.068 6.968 1.497) 14.016 5.276 ( 2.838 1.638 -4.108) 5.255 5.637 ( 6.029 3.481 -3.001) 7.582 6.393 ( -7.087 -4.092 -11.817) 14.374 6.727 ( -1.608 -0.928 -6.305) 6.572 6.948 ( -8.941 -5.162 1.947) 10.506 7.972 ( 4.352 2.513 -4.725) 6.898 8.187 ( 10.174 5.874 -3.652) 12.303 8.801 ( 16.999 9.814 -18.584) 27.030 9.687 ( 1.152 0.665 0.688) 1.498 10.049 ( -13.879 -8.013 21.104) 26.499 10.579 ( 1.153 0.666 10.681) 10.763 11.691 ( 1.837 1.061 9.044) 9.289 12.411 ( -12.658 -7.308 -19.048) 24.010 13.922 ( -28.967 -16.724 19.395) 38.664 15.514 ( 14.234 8.218 16.504) 23.292 16.086 ( 8.044 4.644 9.306) 13.149 18.595 ( 5.608 3.238 -22.239) 23.163 18.993 ( 4.473 2.582 -5.480) 7.530 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.000 -5.480 34.689) 35.120 1.957 ( -0.000 -3.989 37.876) 38.086 2.901 ( -0.000 22.457 38.855) 44.877 4.205 ( -0.000 2.006 0.674) 2.116 4.324 ( -0.000 5.690 2.759) 6.324 5.347 ( -0.000 1.517 6.726) 6.895 5.423 ( -0.000 4.014 5.516) 6.822 6.131 ( 0.000 -12.054 -7.953) 14.441 6.411 ( -0.000 -7.480 5.872) 9.510 6.496 ( -0.000 3.588 2.040) 4.127 6.825 ( -0.000 -0.558 3.061) 3.112 8.321 ( 0.000 -4.792 -11.714) 12.657 8.794 ( -0.000 -20.654 10.647) 23.237 9.460 ( 0.000 2.274 -6.035) 6.450 9.642 ( 0.000 14.018 3.524) 14.454 9.667 ( 0.000 -27.017 -12.434) 29.741 10.633 ( 0.000 7.527 -3.986) 8.517 10.655 ( 0.000 33.577 -13.577) 36.218 12.422 ( -0.000 -12.946 22.845) 26.258 13.069 ( -0.000 23.272 27.932) 36.356 15.944 ( 0.000 -1.657 -16.907) 16.988 16.161 ( 0.000 4.916 -11.999) 12.967 19.042 ( -0.000 -15.786 0.359) 15.790 19.125 ( 0.000 -2.698 -0.973) 2.868 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -6.964 0.256 31.699) 32.456 2.417 ( 22.198 -3.947 33.061) 40.017 3.344 ( 0.996 19.107 30.703) 36.177 4.212 ( -1.712 4.274 0.758) 4.666 4.456 ( 5.673 6.158 1.849) 8.575 5.323 ( -6.817 1.321 6.309) 9.382 5.629 ( 11.632 3.332 2.965) 12.457 5.920 ( -3.005 -12.554 -8.066) 15.221 6.245 ( -9.658 -6.122 5.462) 12.673 6.649 ( 8.670 0.278 1.991) 8.900 6.820 ( -2.092 -1.030 3.391) 4.115 8.138 ( -4.929 -7.166 -14.241) 16.687 8.603 ( -4.895 -14.908 7.759) 17.504 9.375 ( 1.945 -18.215 -7.508) 19.797 9.451 ( 2.355 -2.416 -4.567) 5.678 9.871 ( 1.717 12.638 2.685) 13.033 10.582 ( -6.546 15.974 -9.660) 19.782 10.973 ( 6.271 19.620 -3.744) 20.935 12.504 ( 7.370 -10.113 21.041) 24.481 13.533 ( 4.962 24.422 29.336) 38.492 15.691 ( -13.286 0.627 -21.184) 25.013 16.168 ( 1.730 1.860 -7.381) 7.806 18.864 ( -0.351 -17.177 -0.930) 17.206 19.070 ( -1.213 -4.457 -2.396) 5.203 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 8.262 7.342 19.972) 22.826 2.943 ( 20.105 -2.036 26.894) 33.640 3.664 ( -1.139 12.039 21.805) 24.934 4.260 ( 1.240 4.458 1.970) 5.029 4.631 ( 7.214 4.486 1.264) 8.588 5.239 ( -8.812 2.291 4.424) 10.123 5.582 ( -2.313 -16.678 -11.778) 20.548 5.873 ( -2.995 1.414 -4.152) 5.311 6.194 ( 7.108 1.361 11.910) 13.936 6.721 ( -1.152 -3.708 2.920) 4.858 6.846 ( 4.837 1.543 0.722) 5.128 7.853 ( -8.186 -7.852 -16.004) 19.616 8.497 ( 3.387 -11.972 3.467) 12.916 9.202 ( 2.331 -16.939 -8.330) 19.020 9.408 ( -3.126 -3.201 0.903) 4.564 9.991 ( -3.873 16.238 -0.626) 16.705 10.624 ( -1.029 14.525 -3.663) 15.015 11.186 ( 0.174 12.114 5.439) 13.280 12.750 ( 16.545 -5.956 17.458) 24.778 14.057 ( 6.923 24.003 29.153) 38.393 15.275 ( -18.635 -0.258 -24.860) 31.070 16.120 ( -5.003 -2.589 0.763) 5.685 18.717 ( 3.059 -13.157 -5.275) 14.501 18.969 ( -1.950 -5.653 -5.182) 7.913 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 20.104 12.304 7.671) 24.787 3.351 ( 10.604 0.636 18.568) 21.392 3.797 ( -4.901 2.733 11.879) 13.138 4.352 ( 3.940 1.606 3.118) 5.275 4.765 ( 6.035 -2.484 0.041) 6.526 5.163 ( -8.083 6.825 5.228) 11.800 5.305 ( -2.217 -15.264 -10.971) 18.928 5.711 ( -9.582 0.129 -4.685) 10.667 6.462 ( 6.974 4.061 0.525) 8.088 6.743 ( 7.302 0.810 9.638) 12.118 6.926 ( 4.368 -2.610 -2.345) 5.603 7.542 ( -7.880 -5.395 -15.616) 18.305 8.493 ( 7.532 -11.536 -1.916) 13.910 8.988 ( -4.429 -11.313 -11.230) 16.544 9.326 ( -6.826 2.003 5.880) 9.229 10.059 ( 2.572 1.526 -1.614) 3.399 10.771 ( -3.345 21.484 4.567) 22.218 11.292 ( -3.901 4.590 14.005) 15.245 13.150 ( 23.454 -2.975 14.797) 27.891 14.574 ( 5.529 19.847 22.706) 30.660 14.771 ( -19.422 0.770 -22.687) 29.874 15.958 ( -12.260 -6.650 8.073) 16.116 18.648 ( 6.289 -7.995 -9.140) 13.675 18.835 ( -1.804 -5.951 -9.039) 10.971 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 25.941 13.857 -0.406) 29.413 3.476 ( -6.609 0.145 2.882) 7.211 3.717 ( -6.759 -5.730 3.893) 9.679 4.454 ( 3.408 -1.253 7.222) 8.084 4.771 ( 2.030 -9.984 -0.518) 10.201 5.101 ( -3.517 -4.110 -3.478) 6.431 5.162 ( -2.719 3.828 -0.094) 4.696 5.552 ( -7.503 1.851 -0.941) 7.785 6.514 ( 2.099 4.592 -7.476) 9.022 6.875 ( -1.023 -8.943 -4.478) 10.054 7.075 ( 16.234 4.320 8.828) 18.978 7.345 ( -1.299 0.622 -11.717) 11.806 8.437 ( 0.529 -11.158 -8.380) 13.965 8.720 ( -9.168 -0.408 -13.829) 16.597 9.333 ( -0.898 2.911 9.756) 10.221 10.089 ( 7.957 -13.956 3.025) 16.347 10.938 ( -11.008 25.669 8.447) 29.180 11.355 ( -2.460 -0.172 19.856) 20.009 13.635 ( 24.734 -1.692 12.041) 27.561 14.183 ( -19.659 -4.741 -25.945) 32.895 15.096 ( 6.638 21.706 23.583) 32.732 15.687 ( -18.441 -9.678 13.184) 24.649 18.651 ( 8.049 -3.559 -10.766) 13.906 18.687 ( -0.637 -5.130 -13.393) 14.356 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -11.741 -12.674 -11.488) 20.747 3.482 ( -3.597 7.516 -3.673) 9.106 3.568 ( 12.722 5.346 -1.376) 13.868 4.469 ( -7.034 -6.218 11.213) 14.625 4.680 ( 0.087 -6.586 -0.888) 6.646 5.032 ( -1.214 -0.706 -3.132) 3.433 5.133 ( -2.010 0.283 -1.456) 2.498 5.498 ( -3.093 2.725 4.764) 6.300 6.580 ( 5.041 7.344 -9.919) 13.332 6.712 ( -2.544 -9.448 -4.166) 10.634 7.279 ( 3.849 -0.786 -7.521) 8.485 7.467 ( 14.202 6.210 3.368) 15.862 8.181 ( -11.198 -3.582 -13.698) 18.052 8.548 ( -3.591 3.780 -13.538) 14.507 9.452 ( 3.997 1.820 8.929) 9.951 10.112 ( 10.593 -21.291 10.533) 26.009 10.954 ( -18.298 15.137 12.564) 26.866 11.491 ( 0.840 4.955 18.438) 19.110 13.523 ( -21.123 -4.504 -26.166) 33.928 14.240 ( 27.555 -2.840 13.733) 30.918 15.324 ( -23.428 -11.819 16.503) 30.999 15.533 ( 5.631 18.950 19.037) 27.445 18.552 ( 1.181 -3.069 -17.587) 17.892 18.706 ( 8.449 -0.253 -10.414) 13.412 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -15.505 -17.477 -13.558) 27.012 3.136 ( -24.982 4.094 -10.801) 27.523 4.007 ( 13.872 -1.900 4.104) 14.590 4.312 ( -6.513 2.494 5.335) 8.780 4.614 ( -4.930 -3.715 3.670) 7.182 4.966 ( -3.043 -1.790 0.639) 3.588 5.133 ( 4.762 -0.033 -5.461) 7.246 5.542 ( -0.108 2.974 6.716) 7.346 6.559 ( -2.220 -7.513 -4.241) 8.909 6.683 ( 4.375 7.625 -10.810) 13.933 7.233 ( -3.423 -3.789 -4.268) 6.655 7.764 ( 13.358 4.669 -3.024) 14.469 7.938 ( -5.794 5.404 -11.215) 13.732 8.491 ( 1.577 6.883 -13.872) 15.566 9.573 ( 4.235 -1.473 4.714) 6.505 10.180 ( 10.634 -20.148 17.958) 29.009 10.814 ( -18.903 4.824 14.131) 24.089 11.668 ( 0.196 7.018 13.768) 15.455 12.965 ( -20.360 -3.673 -23.822) 31.551 14.769 ( 24.326 -5.249 15.720) 29.435 14.894 ( -23.734 -12.037 18.991) 32.693 15.884 ( 4.332 14.588 13.457) 20.314 18.452 ( 3.059 0.564 -20.805) 21.037 18.791 ( 7.838 1.917 -8.969) 12.065 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -17.920 -13.900 -8.309) 24.154 2.631 ( -30.867 5.946 -14.272) 34.523 3.866 ( -15.524 -13.173 12.853) 24.077 4.446 ( 0.646 -1.075 4.730) 4.893 4.506 ( -7.101 -1.606 9.694) 12.123 5.019 ( 11.598 5.492 -4.617) 13.638 5.202 ( 5.860 1.011 -3.167) 6.737 5.616 ( 0.559 3.000 5.227) 6.053 6.404 ( -5.261 -3.080 -9.600) 11.373 6.717 ( -0.830 4.459 -7.735) 8.966 7.051 ( -8.404 -5.141 -1.612) 9.983 7.901 ( 4.907 6.801 -7.704) 11.388 8.029 ( 10.253 4.846 -4.307) 12.131 8.579 ( 9.230 11.528 -14.434) 20.650 9.619 ( 3.359 -6.007 1.861) 7.130 10.275 ( 1.886 -11.710 21.642) 24.679 10.632 ( -10.825 -4.221 11.117) 16.081 11.789 ( -1.346 4.739 8.490) 9.816 12.494 ( -16.863 -0.900 -17.979) 24.666 14.393 ( -29.506 -14.216 20.001) 38.377 15.286 ( 25.041 -5.762 17.362) 31.011 16.123 ( 3.374 7.771 6.652) 10.771 18.410 ( 4.450 6.203 -21.804) 23.102 18.887 ( 6.640 3.021 -7.089) 10.172 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -0.000 -0.879 32.246) 32.258 2.329 ( -0.000 -6.145 36.477) 36.991 3.691 ( -0.000 16.499 23.651) 28.837 4.284 ( 0.000 7.020 -2.187) 7.352 4.474 ( 0.000 8.393 -1.492) 8.525 5.472 ( 0.000 -8.527 -6.194) 10.539 5.519 ( -0.000 3.896 12.215) 12.822 5.782 ( -0.000 -9.121 -1.022) 9.178 6.286 ( -0.000 -11.265 3.775) 11.880 6.584 ( -0.000 2.617 2.060) 3.331 6.851 ( -0.000 -0.651 3.545) 3.605 8.001 ( 0.000 -9.695 -15.894) 18.617 8.528 ( -0.000 -17.892 5.557) 18.735 9.003 ( 0.000 -23.923 -9.324) 25.676 9.462 ( 0.000 4.555 -5.320) 7.004 10.109 ( -0.000 22.688 11.216) 25.309 10.733 ( 0.000 7.349 -3.690) 8.223 11.087 ( 0.000 28.146 -11.840) 30.535 12.462 ( -0.000 -13.158 23.272) 26.734 13.943 ( -0.000 28.283 29.374) 40.777 15.719 ( 0.000 4.129 -22.760) 23.131 16.103 ( 0.000 4.888 -11.982) 12.941 18.656 ( -0.000 -24.703 2.427) 24.822 19.006 ( 0.000 -7.318 -3.100) 7.947 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -6.265 0.804 28.511) 29.202 2.743 ( 20.877 -5.221 32.054) 38.608 3.934 ( -2.292 10.705 16.306) 19.640 4.316 ( -2.293 6.874 -3.126) 7.892 4.581 ( 4.727 7.847 -5.529) 10.700 5.242 ( -0.031 -18.445 -13.864) 23.074 5.548 ( -8.043 0.838 10.653) 13.374 5.857 ( 5.590 0.867 4.620) 7.303 6.178 ( 0.217 -7.146 6.167) 9.441 6.659 ( 4.120 -0.569 0.742) 4.225 6.853 ( -1.638 -0.251 3.115) 3.529 7.769 ( -3.746 -9.247 -16.332) 19.139 8.356 ( -1.487 -16.660 3.264) 17.042 8.840 ( 9.157 -20.211 -5.391) 22.834 9.460 ( -1.952 4.066 -2.977) 5.405 10.314 ( -10.164 21.019 2.230) 23.454 10.780 ( 0.527 11.745 2.673) 12.057 11.317 ( 2.850 21.900 -5.671) 22.801 12.560 ( 9.372 -11.943 22.012) 26.740 14.425 ( 2.292 28.247 28.367) 40.097 15.452 ( -16.848 5.500 -26.256) 31.678 16.117 ( 2.378 2.671 -7.600) 8.399 18.458 ( 3.762 -23.721 1.321) 24.054 18.890 ( -1.063 -9.380 -5.048) 10.705 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 6.924 5.099 17.553) 19.546 3.233 ( 19.048 -3.418 26.643) 32.929 3.994 ( -8.798 2.016 4.238) 9.972 4.298 ( 2.016 -1.257 -3.808) 4.488 4.668 ( 3.325 2.978 -8.485) 9.587 5.033 ( 2.778 -11.151 -9.512) 14.918 5.484 ( -10.313 4.196 11.629) 16.100 5.818 ( -5.963 -2.232 -2.020) 6.680 6.357 ( 12.354 0.978 8.225) 14.874 6.695 ( 2.568 -2.044 0.633) 3.343 6.837 ( 0.107 -3.248 1.237) 3.477 7.513 ( -6.067 -4.969 -15.025) 16.948 8.254 ( 5.330 -14.356 2.491) 15.515 8.778 ( 6.678 -15.503 -4.602) 17.496 9.443 ( -2.882 1.504 2.441) 4.065 10.211 ( -14.864 12.801 -10.493) 22.247 11.033 ( 3.612 17.786 13.026) 22.340 11.491 ( -2.647 15.079 1.964) 15.435 12.826 ( 19.092 -9.720 19.196) 28.766 14.867 ( -6.224 18.047 7.543) 20.526 15.023 ( -14.095 12.776 -10.206) 21.589 16.088 ( -4.408 -1.662 0.753) 4.770 18.355 ( 8.440 -17.276 -3.137) 19.482 18.730 ( -1.513 -10.065 -8.095) 13.005 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 18.284 8.742 5.735) 21.062 3.579 ( 1.251 -0.492 9.067) 9.166 3.736 ( -4.670 -12.689 -2.175) 13.695 4.382 ( 6.905 -0.987 5.688) 9.000 4.625 ( 0.183 -4.584 -9.810) 10.830 4.974 ( 1.874 -1.055 -8.106) 8.386 5.431 ( -10.372 4.153 11.909) 16.330 5.697 ( -6.712 1.552 0.717) 6.927 6.505 ( 1.314 3.758 -3.449) 5.267 6.722 ( 3.318 -10.695 -4.859) 12.207 6.906 ( 11.435 0.496 8.243) 14.105 7.315 ( -3.448 0.240 -11.639) 12.141 8.259 ( 6.063 -9.718 1.543) 11.558 8.687 ( 0.606 -8.249 -7.299) 11.031 9.436 ( -1.875 -0.647 8.152) 8.390 10.008 ( -9.281 3.148 -10.570) 14.415 11.347 ( 1.109 19.591 13.363) 23.741 11.540 ( -8.011 6.759 9.175) 13.930 13.239 ( 26.020 -8.017 16.845) 32.017 14.387 ( -25.833 2.319 -28.262) 38.360 15.384 ( 3.350 23.417 21.429) 31.918 15.941 ( -12.177 -5.826 8.395) 15.896 18.363 ( 11.457 -9.489 -7.066) 16.470 18.552 ( -0.992 -8.801 -11.642) 14.628 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 7.863 -0.229 -7.314) 10.741 3.286 ( 3.218 -3.612 -10.342) 11.417 3.755 ( -8.547 2.589 7.264) 11.512 4.473 ( 1.490 -12.059 4.139) 12.836 4.576 ( 6.128 1.430 -0.332) 6.302 4.942 ( 1.639 2.044 -11.740) 12.029 5.334 ( -12.729 -0.182 10.396) 16.436 5.642 ( -5.060 2.711 6.618) 8.761 6.546 ( 2.057 8.857 -8.704) 12.587 6.590 ( 0.180 -12.624 -4.219) 13.311 7.134 ( 8.002 -0.838 -2.333) 8.377 7.318 ( 9.170 3.699 -1.802) 10.051 8.232 ( -3.239 -2.560 -2.139) 4.650 8.562 ( -2.843 0.056 -10.731) 11.102 9.482 ( 0.930 -0.549 9.550) 9.611 9.862 ( 1.263 -9.799 -1.456) 9.987 11.446 ( -16.612 9.001 9.863) 21.313 11.627 ( 2.892 7.726 14.618) 16.785 13.667 ( 3.492 -2.390 -2.024) 4.691 13.865 ( 0.172 -3.391 -8.533) 9.183 15.676 ( -18.205 -8.618 14.045) 24.555 15.764 ( 2.519 17.785 15.604) 23.794 18.393 ( 0.429 -4.972 -14.670) 15.496 18.454 ( 12.136 -2.933 -8.618) 15.171 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -15.261 -9.159 -10.337) 20.583 3.529 ( -21.442 5.866 -5.656) 22.938 3.684 ( 24.379 5.921 -3.930) 25.394 4.366 ( -1.652 -9.242 0.269) 9.393 4.704 ( 0.915 3.145 7.470) 8.157 4.936 ( 3.492 1.467 -9.515) 10.241 5.149 ( -11.125 -5.338 7.810) 14.603 5.654 ( -2.713 1.785 9.779) 10.304 6.461 ( 0.571 -9.188 -3.712) 9.926 6.637 ( 3.689 10.855 -10.214) 15.355 7.180 ( 2.459 -1.448 -3.525) 4.535 7.554 ( 13.507 3.258 -3.492) 14.326 8.087 ( -10.318 5.799 -6.353) 13.433 8.485 ( -1.248 6.110 -11.318) 12.923 9.532 ( 0.627 -2.003 2.865) 3.551 9.882 ( 12.733 -17.857 14.039) 26.040 11.257 ( -19.432 0.576 12.466) 23.094 11.802 ( 0.852 4.899 9.828) 11.014 13.202 ( -24.828 4.356 -21.686) 33.252 14.307 ( 31.026 -8.957 15.449) 35.798 15.319 ( -23.958 -10.817 17.291) 31.464 16.026 ( 2.634 9.745 8.329) 13.088 18.298 ( 2.094 1.913 -15.969) 16.219 18.592 ( 11.101 1.630 -8.329) 13.973 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -17.346 1.000 -0.098) 17.375 3.119 ( -28.163 8.392 -11.432) 31.531 3.935 ( 2.406 -9.629 4.992) 11.109 4.347 ( 8.038 0.321 -4.836) 9.386 4.730 ( -8.988 3.873 11.406) 15.029 4.918 ( 0.801 -1.095 -2.449) 2.800 5.079 ( 5.426 -1.620 -0.863) 5.728 5.699 ( -0.684 0.101 10.068) 10.092 6.377 ( -1.040 -2.666 -4.437) 5.280 6.730 ( 2.009 9.688 -9.048) 13.408 7.107 ( -5.974 -3.083 -4.616) 8.155 7.764 ( 11.816 4.331 -7.963) 14.893 8.005 ( -3.130 8.906 -4.158) 10.315 8.510 ( 3.458 11.414 -11.434) 16.522 9.512 ( 1.866 -7.922 1.316) 8.244 10.075 ( 15.477 -15.826 18.866) 29.085 10.976 ( -20.944 -4.477 12.531) 24.814 11.866 ( -0.398 -2.147 4.401) 4.913 12.755 ( -21.759 9.469 -14.860) 27.999 14.788 ( 10.585 -11.436 15.849) 22.226 14.930 ( -8.388 -10.835 19.661) 23.965 16.135 ( 2.397 -0.919 -0.797) 2.688 18.308 ( 3.420 10.859 -14.835) 18.700 18.742 ( 9.095 4.125 -7.265) 12.350 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.000 -1.609 29.903) 29.946 2.627 ( -0.000 -8.829 32.420) 33.601 4.123 ( -0.000 6.235 10.713) 12.395 4.439 ( 0.000 12.501 -2.179) 12.689 4.482 ( 0.000 -3.925 -21.729) 22.080 4.989 ( 0.000 -12.985 -4.858) 13.864 5.756 ( -0.000 0.191 12.174) 12.175 5.809 ( -0.000 0.456 5.797) 5.814 6.112 ( -0.000 -7.949 3.594) 8.723 6.629 ( -0.000 -1.133 1.190) 1.643 6.895 ( -0.000 0.931 2.812) 2.962 7.610 ( 0.000 -7.679 -14.967) 16.822 8.242 ( -0.000 -17.915 4.368) 18.440 8.539 ( -0.000 -15.883 -3.631) 16.292 9.501 ( 0.000 5.736 -4.562) 7.329 10.694 ( -0.000 22.229 7.570) 23.483 10.813 ( 0.000 5.823 -4.229) 7.196 11.483 ( 0.000 24.858 -5.233) 25.403 12.504 ( -0.000 -12.870 23.304) 26.622 14.858 ( -0.000 27.939 26.732) 38.668 15.516 ( 0.000 8.301 -28.450) 29.637 16.052 ( 0.000 5.474 -11.610) 12.836 18.192 ( -0.000 -27.904 6.737) 28.706 18.760 ( 0.000 -12.019 -5.591) 13.255 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -6.222 -2.917 24.656) 25.596 3.004 ( 21.174 -8.404 28.820) 36.737 4.089 ( -9.042 -14.803 -21.474) 27.604 4.234 ( 1.389 0.813 3.786) 4.114 4.598 ( 3.382 9.519 -5.952) 11.725 4.947 ( -0.585 3.230 -0.039) 3.282 5.708 ( -5.422 -3.989 6.984) 9.700 5.838 ( -1.196 -1.210 -0.236) 1.718 6.209 ( 9.687 -0.824 10.647) 14.417 6.617 ( 1.644 -5.630 -0.928) 5.938 6.884 ( -4.069 0.823 2.101) 4.653 7.461 ( -2.218 -1.644 -12.440) 12.743 8.083 ( 0.404 -16.215 5.065) 16.992 8.473 ( 8.527 -14.049 -1.235) 16.481 9.512 ( -1.926 4.741 -2.557) 5.721 10.572 ( -19.203 11.521 -8.798) 24.060 11.117 ( 11.224 11.894 7.560) 18.016 11.701 ( -0.115 22.353 -1.427) 22.399 12.605 ( 9.390 -12.239 22.169) 27.008 15.194 ( -16.270 12.727 -16.313) 26.321 15.324 ( -1.945 21.154 9.229) 23.161 16.082 ( 3.106 3.759 -7.564) 9.000 18.032 ( 6.260 -24.000 6.534) 25.649 18.592 ( -0.899 -12.669 -6.774) 14.395 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 6.578 0.396 13.692) 15.196 3.450 ( 20.470 -8.360 23.665) 32.387 3.623 ( -8.802 -17.679 -21.024) 28.845 4.328 ( 3.952 0.647 7.691) 8.671 4.617 ( -5.344 6.527 -9.171) 12.461 4.957 ( -2.332 5.438 -5.143) 7.840 5.633 ( -2.796 -4.223 7.195) 8.799 5.816 ( -4.535 4.729 0.782) 6.598 6.418 ( 9.237 -2.776 3.555) 10.279 6.552 ( 1.339 -9.750 -3.474) 10.436 6.869 ( -0.003 3.510 5.014) 6.120 7.324 ( -5.196 1.415 -10.219) 11.551 8.065 ( 8.159 -11.157 7.418) 15.687 8.482 ( 7.441 -11.489 -1.316) 13.752 9.501 ( -2.438 1.634 1.691) 3.387 10.266 ( -20.095 9.448 -13.515) 25.994 11.432 ( 8.866 5.969 9.941) 14.596 11.852 ( -6.180 18.619 1.044) 19.645 12.866 ( 19.645 -11.542 19.639) 30.080 14.709 ( -27.034 8.497 -29.213) 40.699 15.675 ( 1.982 19.186 17.185) 25.834 16.076 ( -3.864 -0.549 0.897) 4.004 18.024 ( 11.803 -14.671 1.914) 18.926 18.413 ( -1.140 -10.257 -8.003) 13.060 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 16.735 3.739 2.445) 17.321 3.207 ( -9.374 -9.223 -15.090) 20.016 3.812 ( 13.125 -7.754 19.823) 25.007 4.394 ( -5.611 -5.079 -2.006) 7.830 4.529 ( 2.613 6.818 -1.742) 7.507 4.909 ( -2.434 4.759 -10.959) 12.193 5.597 ( -8.173 -1.126 10.361) 13.245 5.761 ( -4.670 -0.096 2.180) 5.155 6.435 ( 1.195 -10.259 -2.497) 10.626 6.526 ( 4.247 4.221 -6.824) 9.079 7.017 ( 6.537 3.340 5.468) 9.153 7.233 ( 0.670 1.901 -6.063) 6.389 8.183 ( 7.433 -4.542 7.350) 11.398 8.471 ( 3.722 -6.636 -3.981) 8.587 9.499 ( 0.159 -2.963 7.248) 7.831 9.936 ( -16.601 5.296 -13.678) 22.152 11.635 ( 3.787 -2.151 11.801) 12.579 11.867 ( -10.160 13.378 0.788) 16.817 13.274 ( 27.087 -10.641 17.213) 33.812 14.141 ( -28.770 9.083 -26.118) 39.905 15.922 ( -4.851 1.792 10.011) 11.268 15.965 ( -5.079 3.540 8.256) 10.319 18.152 ( 14.327 -4.927 -2.395) 15.338 18.274 ( -0.468 -3.861 -8.242) 9.114 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -12.449 2.772 -3.356) 13.188 3.273 ( 24.119 4.053 -6.669) 25.350 3.892 ( -13.250 2.377 4.843) 14.306 4.221 ( 3.415 -11.766 -2.889) 12.588 4.706 ( 6.848 4.468 5.923) 10.097 4.862 ( 0.325 5.294 -11.530) 12.691 5.412 ( -16.759 -4.261 9.761) 19.857 5.715 ( -0.150 -6.433 3.422) 7.288 6.374 ( 0.228 -3.087 1.781) 3.571 6.602 ( 4.614 7.875 -11.539) 14.712 7.137 ( 1.701 3.581 2.173) 4.521 7.343 ( 11.430 2.141 -3.554) 12.160 8.252 ( -3.785 3.471 2.043) 5.527 8.450 ( 3.099 -0.004 -6.842) 7.511 9.549 ( 1.799 -4.540 8.833) 10.093 9.678 ( -4.075 -5.316 -4.641) 8.149 11.602 ( -12.960 -3.734 11.396) 17.657 11.848 ( -0.386 0.710 -0.102) 0.815 13.592 ( -24.097 10.959 -15.955) 30.909 13.790 ( 27.112 -9.535 11.218) 30.851 15.690 ( -18.841 -8.137 14.424) 25.085 16.057 ( 2.183 -1.040 -0.271) 2.433 18.235 ( 0.834 5.637 -7.059) 9.072 18.357 ( 13.720 2.131 -4.584) 14.621 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -14.978 13.338 6.791) 21.174 3.567 ( -18.092 7.380 -9.102) 21.555 3.667 ( 15.107 -1.401 -5.077) 15.999 4.199 ( 5.188 -7.919 0.325) 9.472 4.865 ( 1.554 2.070 -3.562) 4.403 4.898 ( 5.566 7.114 1.093) 9.098 5.134 ( -16.081 -6.752 10.192) 20.200 5.680 ( 3.864 -9.937 2.967) 11.068 6.397 ( -1.541 3.946 5.647) 7.060 6.690 ( 5.704 7.789 -11.665) 15.142 7.170 ( -4.303 3.847 -0.782) 5.825 7.540 ( 12.627 2.487 -6.533) 14.433 8.187 ( -8.595 9.938 -2.870) 13.449 8.494 ( 3.431 7.460 -8.460) 11.790 9.450 ( -3.761 -5.527 -2.215) 7.043 9.771 ( 14.985 -14.781 16.293) 26.618 11.342 ( -19.372 -5.522 9.871) 22.432 11.811 ( 0.982 -10.140 -1.021) 10.239 13.195 ( -24.704 17.169 -12.495) 32.576 14.293 ( 31.640 -11.610 13.833) 36.431 15.344 ( -24.011 -9.899 18.171) 31.697 16.003 ( 2.487 -11.423 -9.009) 14.759 18.318 ( 2.183 14.173 -5.867) 15.494 18.577 ( 11.242 5.902 -5.489) 13.833 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.000 -6.885 26.181) 27.071 2.791 ( -0.000 -12.741 26.063) 29.011 3.793 ( 0.000 -20.120 -26.455) 33.236 4.285 ( -0.000 1.777 5.937) 6.198 4.686 ( 0.000 14.098 -1.411) 14.169 5.038 ( 0.000 10.367 0.660) 10.388 5.639 ( -0.000 -13.440 -3.138) 13.802 5.851 ( -0.000 -0.718 0.449) 0.847 6.228 ( -0.000 2.746 14.211) 14.474 6.520 ( -0.000 -9.912 -1.617) 10.043 6.957 ( -0.000 3.155 1.053) 3.326 7.422 ( 0.000 4.019 -7.931) 8.891 7.957 ( -0.000 -17.852 5.814) 18.775 8.266 ( -0.000 -10.938 0.692) 10.960 9.561 ( 0.000 5.603 -3.634) 6.678 10.848 ( 0.000 4.026 -5.341) 6.689 11.081 ( 0.000 14.453 -2.774) 14.717 11.895 ( 0.000 18.018 0.477) 18.024 12.559 ( -0.000 -10.819 21.607) 24.164 15.326 ( 0.000 12.206 -31.855) 34.114 15.624 ( -0.000 19.270 17.459) 26.003 16.026 ( 0.000 6.594 -10.582) 12.468 17.803 ( -0.000 -24.603 14.328) 28.471 18.437 ( 0.000 -12.455 -5.009) 13.424 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -5.333 -8.587 19.138) 21.644 3.125 ( 21.351 -13.385 23.085) 34.175 3.456 ( -4.201 -10.913 -18.063) 21.518 4.341 ( 0.978 0.151 7.008) 7.078 4.769 ( -4.982 12.260 -4.088) 13.851 5.074 ( -6.837 7.590 -3.972) 10.961 5.539 ( 5.827 -9.313 -1.813) 11.134 5.872 ( 3.011 1.497 -3.018) 4.518 6.326 ( 0.287 -4.736 9.492) 10.612 6.426 ( 1.981 -8.180 0.653) 8.441 6.975 ( -2.505 6.149 1.738) 6.864 7.394 ( -5.632 5.072 -6.007) 9.671 7.873 ( 6.079 -13.835 8.425) 17.301 8.249 ( 7.048 -9.627 2.061) 12.108 9.571 ( -2.268 4.229 -2.195) 5.277 10.620 ( -20.046 7.082 -10.649) 23.778 11.334 ( 12.517 5.798 -0.066) 13.795 12.052 ( 0.649 12.779 -2.045) 12.958 12.646 ( 7.657 -11.663 20.035) 24.414 15.049 ( -21.401 13.732 -29.922) 39.267 15.876 ( 2.043 10.287 8.943) 13.783 16.075 ( 3.263 5.075 -6.709) 9.024 17.751 ( 7.261 -17.560 14.498) 23.901 18.303 ( -0.770 -8.021 -2.447) 8.421 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 7.526 -5.039 8.438) 12.379 3.238 ( -7.099 2.599 -7.103) 10.373 3.491 ( 22.317 -15.041 18.358) 32.577 4.406 ( 1.751 -3.811 7.337) 8.452 4.685 ( -11.865 10.679 -7.084) 17.464 4.959 ( -5.401 3.540 -9.270) 11.297 5.593 ( 6.373 -5.585 0.061) 8.474 5.868 ( -4.530 -0.327 -2.508) 5.189 6.320 ( 4.508 -3.984 1.612) 6.229 6.432 ( 2.168 -3.543 2.669) 4.937 7.051 ( 1.142 7.974 3.618) 8.831 7.275 ( -6.757 2.082 -2.427) 7.476 8.000 ( 12.525 -7.517 9.600) 17.480 8.303 ( 6.748 -6.707 1.892) 9.700 9.543 ( -3.243 0.912 0.707) 3.442 10.250 ( -22.125 7.440 -14.597) 27.531 11.552 ( 9.349 -1.852 3.904) 10.299 12.087 ( -5.547 6.909 -6.605) 11.051 12.871 ( 19.459 -13.187 18.546) 29.942 14.583 ( -28.299 15.317 -25.493) 41.053 15.984 ( 1.634 -1.163 0.527) 2.074 16.087 ( -3.177 0.012 0.319) 3.193 17.881 ( 12.744 -6.489 8.959) 16.875 18.243 ( -0.928 0.397 0.577) 1.163 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 18.528 -1.422 -2.419) 18.739 3.172 ( -9.948 14.722 3.106) 18.037 3.788 ( 18.336 -15.724 13.014) 27.438 4.275 ( -13.675 -2.017 -5.276) 14.795 4.686 ( 3.181 6.544 4.429) 8.517 4.875 ( -2.429 5.690 -9.926) 11.696 5.565 ( 3.141 -13.635 -5.118) 14.899 5.700 ( -13.400 -2.382 4.166) 14.234 6.411 ( 1.614 4.332 7.853) 9.113 6.477 ( 6.570 1.386 -8.700) 10.990 7.181 ( 6.038 2.799 -0.291) 6.662 7.246 ( -2.393 7.342 4.618) 8.998 8.215 ( 12.372 -4.148 6.898) 14.760 8.358 ( 2.767 -0.888 1.377) 3.215 9.505 ( -0.572 -4.391 4.897) 6.602 9.862 ( -19.754 5.601 -14.963) 25.406 11.655 ( 5.251 -8.888 5.991) 11.936 11.923 ( -10.968 -1.085 -7.917) 13.570 13.260 ( 27.736 -12.395 15.722) 34.207 14.113 ( -28.968 17.760 -19.561) 39.206 15.920 ( 1.463 -12.066 -7.434) 14.247 15.967 ( -11.004 -4.863 7.326) 14.085 18.136 ( 14.208 2.841 3.116) 14.820 18.289 ( -0.327 9.121 2.204) 9.390 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 23.240 -0.815 -10.064) 25.338 3.198 ( -12.325 19.719 10.064) 25.338 3.961 ( -11.097 -0.474 -10.688) 15.414 3.961 ( 5.138 -9.847 10.688) 15.414 4.862 ( -0.555 6.606 -7.274) 9.842 4.862 ( 5.998 2.823 7.274) 9.842 5.442 ( 6.395 -16.272 -5.917) 18.458 5.442 ( -17.290 -2.598 5.917) 18.458 6.548 ( 7.415 3.256 -12.246) 14.681 6.548 ( -0.888 8.049 12.246) 14.681 7.324 ( 10.745 1.201 -4.076) 11.555 7.324 ( -4.332 9.906 4.076) 11.555 8.393 ( 7.739 1.277 -3.168) 8.459 8.393 ( -2.764 7.340 3.168) 8.459 9.532 ( -12.818 0.817 -10.635) 16.675 9.532 ( 7.117 -10.692 10.635) 16.675 11.630 ( -4.098 -11.969 -12.017) 17.449 11.630 ( -8.316 -9.534 12.017) 17.449 13.731 ( -24.599 19.977 -13.154) 34.310 13.731 ( 29.600 -11.315 13.154) 34.310 15.726 ( 2.965 -19.810 -14.884) 24.956 15.726 ( -18.639 -7.337 14.884) 24.956 18.422 ( 12.246 7.868 -1.236) 14.608 18.422 ( 0.691 14.539 1.236) 14.608 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.000 -16.188 19.135) 25.064 2.832 ( -0.000 -13.398 20.635) 24.603 3.364 ( 0.000 2.780 -7.906) 8.380 4.377 ( -0.000 -1.172 7.539) 7.630 4.913 ( 0.000 12.046 -4.402) 12.825 5.243 ( 0.000 8.626 -2.068) 8.870 5.300 ( 0.000 -13.163 -7.341) 15.072 5.787 ( 0.000 -2.093 -6.198) 6.542 6.299 ( -0.000 -7.595 -0.233) 7.599 6.411 ( -0.000 -3.286 13.222) 13.624 7.068 ( 0.000 8.043 0.192) 8.045 7.512 ( 0.000 10.055 -2.555) 10.375 7.709 ( -0.000 -16.509 8.079) 18.380 8.125 ( -0.000 -7.284 5.136) 8.913 9.619 ( 0.000 4.558 -2.945) 5.427 10.833 ( 0.000 2.528 -6.831) 7.284 11.211 ( 0.000 6.840 -8.622) 11.006 12.092 ( 0.000 3.183 -2.607) 4.114 12.602 ( -0.000 -10.635 15.540) 18.831 15.222 ( 0.000 18.134 -29.479) 34.610 15.912 ( 0.000 1.613 -3.052) 3.452 16.044 ( 0.000 3.822 -7.825) 8.708 17.648 ( -0.000 -15.125 22.971) 27.504 18.264 ( -0.000 -1.880 3.865) 4.298 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -3.835 -13.666 13.268) 19.429 3.076 ( 20.241 -17.990 17.630) 32.313 3.413 ( -3.740 17.170 2.024) 17.688 4.399 ( -0.289 -4.393 7.290) 8.517 4.925 ( -6.424 9.577 -6.990) 13.485 5.013 ( -8.767 -4.281 -7.524) 12.321 5.381 ( 7.959 -5.939 -5.506) 11.354 5.792 ( 6.447 -0.581 -8.257) 10.492 6.275 ( 1.073 0.048 5.357) 5.464 6.433 ( -0.909 -5.564 9.956) 11.441 7.144 ( -1.195 8.251 0.067) 8.337 7.440 ( -9.126 1.238 3.520) 9.860 7.784 ( 11.216 -4.689 6.171) 13.633 8.162 ( 5.937 -4.412 6.526) 9.865 9.615 ( -3.037 2.954 -2.029) 4.698 10.590 ( -20.136 4.824 -12.109) 23.986 11.344 ( 12.212 -1.736 -5.496) 13.504 12.094 ( 1.592 0.344 -9.905) 10.038 12.630 ( 7.097 -14.220 17.040) 23.301 15.024 ( -21.573 19.626 -25.197) 38.542 15.858 ( 1.796 -12.498 -9.000) 15.506 16.070 ( 4.262 4.768 -7.972) 10.220 17.745 ( 6.894 -6.926 21.963) 24.039 18.315 ( -0.693 5.267 7.973) 9.581 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 8.676 -10.021 3.308) 13.662 3.342 ( 19.914 -17.768 13.337) 29.836 3.570 ( -6.479 23.464 7.557) 25.488 4.348 ( -3.265 -7.498 2.174) 8.463 4.829 ( -7.781 7.960 -0.073) 11.131 4.879 ( -0.263 0.789 -9.134) 9.172 5.320 ( 2.720 -14.146 -9.063) 17.019 5.814 ( -0.234 0.153 -6.179) 6.185 6.369 ( 1.888 -1.441 4.709) 5.274 6.469 ( 3.780 5.109 7.546) 9.865 7.148 ( -1.326 -0.614 0.420) 1.520 7.434 ( -3.193 10.013 8.006) 13.212 7.980 ( 12.645 -4.271 5.110) 14.291 8.301 ( 7.127 0.452 7.785) 10.564 9.550 ( -4.994 -0.553 -0.258) 5.031 10.185 ( -22.655 6.077 -16.208) 28.511 11.430 ( 8.894 -11.972 -4.794) 15.666 11.992 ( -4.720 -1.724 -10.407) 11.556 12.828 ( 19.790 -14.264 16.987) 29.727 14.651 ( -27.195 20.320 -19.978) 39.390 15.639 ( 2.071 -21.433 -15.591) 26.585 16.100 ( -2.520 0.888 0.783) 2.784 18.000 ( 11.190 2.768 14.416) 18.458 18.432 ( -0.871 10.309 8.204) 13.204 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.000 -19.138 14.190) 23.825 2.748 ( -0.000 -19.277 16.462) 25.349 3.702 ( -0.000 27.724 8.007) 28.857 4.398 ( -0.000 -7.178 5.838) 9.252 4.884 ( 0.000 -7.616 -11.089) 13.453 5.114 ( 0.000 5.257 -4.490) 6.913 5.195 ( 0.000 -7.169 -7.783) 10.581 5.664 ( 0.000 -0.178 -7.262) 7.264 6.335 ( -0.000 6.561 6.391) 9.159 6.441 ( -0.000 -8.790 11.875) 14.775 7.229 ( 0.000 4.958 -0.912) 5.041 7.567 ( -0.000 -7.440 11.032) 13.306 7.686 ( 0.000 9.270 -0.369) 9.278 8.134 ( -0.000 -0.670 9.285) 9.309 9.659 ( 0.000 3.113 -2.508) 3.997 10.776 ( 0.000 1.621 -8.475) 8.629 11.106 ( 0.000 -3.858 -14.497) 15.002 11.985 ( 0.000 -3.204 -11.071) 11.526 12.539 ( -0.000 -14.774 15.674) 21.539 15.277 ( 0.000 21.755 -24.538) 32.794 15.591 ( 0.000 -22.021 -15.436) 26.892 16.008 ( 0.000 7.361 -10.869) 13.127 17.797 ( -0.000 -3.925 28.335) 28.605 18.452 ( -0.000 8.371 11.114) 13.914 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -2.905 -18.171 9.456) 20.689 2.892 ( 19.459 -21.357 14.284) 32.230 3.990 ( -6.654 26.716 6.483) 28.285 4.320 ( -0.739 -8.394 2.291) 8.732 4.762 ( 2.772 -6.516 -9.543) 11.884 4.997 ( -5.993 -1.584 -3.939) 7.345 5.146 ( -0.147 -2.845 -5.694) 6.367 5.689 ( 6.285 0.593 -8.371) 10.485 6.406 ( -1.903 -6.484 11.311) 13.176 6.501 ( 4.245 7.454 7.802) 11.595 7.183 ( -3.829 -4.875 1.169) 6.308 7.615 ( -0.555 8.053 9.675) 12.601 7.832 ( 6.169 4.087 2.432) 7.790 8.262 ( 5.619 3.746 10.297) 12.314 9.632 ( -4.402 1.373 -1.961) 5.010 10.498 ( -20.016 3.015 -15.011) 25.200 11.083 ( 10.599 -13.393 -12.868) 21.384 11.915 ( 2.601 -1.127 -12.158) 12.484 12.560 ( 8.202 -15.450 18.061) 25.143 15.120 ( -18.878 14.468 -20.356) 31.306 15.268 ( 0.079 -21.233 -19.887) 29.092 16.084 ( 5.144 6.227 -7.214) 10.830 18.010 ( 5.473 2.410 24.778) 25.490 18.604 ( -0.661 9.700 10.389) 14.229 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.000 -22.329 12.606) 25.642 2.519 ( -0.000 -23.896 14.016) 27.703 4.161 ( 0.000 -17.447 -7.417) 18.958 4.361 ( 0.000 23.883 -0.453) 23.887 4.610 ( 0.000 -7.754 -6.391) 10.048 4.951 ( -0.000 -3.523 -0.733) 3.599 5.180 ( 0.000 5.019 -1.582) 5.263 5.595 ( 0.000 1.189 -4.998) 5.137 6.412 ( -0.000 -9.291 11.991) 15.169 6.589 ( -0.000 6.497 8.450) 10.659 7.152 ( -0.000 -9.212 0.238) 9.215 7.741 ( -0.000 7.975 8.694) 11.798 7.893 ( -0.000 11.001 4.088) 11.736 8.341 ( -0.000 8.358 11.951) 14.584 9.677 ( 0.000 1.832 -1.982) 2.700 10.668 ( 0.000 -16.038 -22.021) 27.242 10.686 ( 0.000 1.274 -9.923) 10.004 11.796 ( 0.000 -0.187 -11.250) 11.251 12.463 ( -0.000 -15.235 18.326) 23.832 14.818 ( 0.000 -31.429 -20.693) 37.630 15.400 ( 0.000 19.991 -20.863) 28.894 16.033 ( 0.000 8.649 -9.957) 13.189 18.166 ( -0.000 3.819 27.800) 28.061 18.763 ( -0.000 8.464 9.680) 12.858 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -0.000 0.000 33.747) 33.747 2.106 ( -0.000 0.000 33.747) 33.747 2.955 ( -0.000 0.000 46.626) 46.626 4.231 ( 0.000 0.000 -0.253) 0.253 4.231 ( -0.000 -0.000 -0.253) 0.253 5.405 ( -0.000 0.000 8.720) 8.720 5.405 ( -0.000 0.000 8.720) 8.720 6.197 ( 0.000 -0.000 -12.310) 12.310 6.492 ( -0.000 0.000 4.045) 4.045 6.492 ( -0.000 0.000 4.045) 4.045 6.853 ( -0.000 0.000 4.750) 4.750 8.297 ( 0.000 -0.000 -11.940) 11.940 9.194 ( -0.000 0.000 12.292) 12.292 9.414 ( 0.000 -0.000 -4.772) 4.772 9.414 ( 0.000 -0.000 -4.772) 4.772 10.047 ( 0.000 -0.000 -10.386) 10.386 10.047 ( 0.000 -0.000 -10.386) 10.386 10.481 ( 0.000 -0.000 -6.794) 6.794 12.865 ( -0.000 0.000 27.792) 27.792 12.865 ( -0.000 0.000 27.792) 27.792 15.939 ( 0.000 -0.000 -16.891) 16.891 15.939 ( 0.000 -0.000 -16.891) 16.891 19.149 ( 0.000 -0.000 -0.272) 0.272 19.193 ( 0.000 -0.000 -0.922) 0.922 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -12.295 -7.099 35.657) 38.380 2.589 ( 13.707 7.914 29.243) 33.251 3.333 ( 6.403 3.697 39.708) 40.390 4.177 ( -0.529 -0.306 -0.823) 1.025 4.347 ( 7.204 4.159 -2.582) 8.709 5.384 ( -4.742 -2.738 9.009) 10.542 5.589 ( 8.160 4.711 9.464) 13.355 6.023 ( -7.075 -4.085 -12.642) 15.052 6.378 ( -8.777 -5.067 4.607) 11.132 6.622 ( 6.549 3.781 0.921) 7.618 6.874 ( -1.634 -0.943 5.251) 5.580 8.155 ( -5.522 -3.188 -13.760) 15.166 8.915 ( -16.581 -9.573 6.376) 20.180 9.434 ( -3.237 -1.869 0.139) 3.740 9.496 ( 6.947 4.011 0.047) 8.022 9.952 ( -9.707 -5.604 -11.538) 16.086 10.058 ( 14.266 8.237 -12.153) 20.471 10.697 ( 16.957 9.790 -3.584) 19.906 12.815 ( -5.948 -3.434 26.284) 27.167 13.373 ( 15.022 8.673 30.183) 34.812 15.615 ( -10.649 -6.148 -21.308) 24.601 16.028 ( 8.406 4.853 -14.177) 17.181 19.078 ( -8.266 -4.772 -0.729) 9.573 19.117 ( -2.486 -1.435 -1.071) 3.064 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -3.115 -1.798 31.102) 31.309 3.059 ( 12.684 7.323 23.372) 27.582 3.678 ( 4.203 2.427 29.101) 29.503 4.206 ( 3.296 1.903 0.281) 3.816 4.518 ( 10.036 5.794 -4.199) 12.326 5.293 ( -7.604 -4.390 6.226) 10.764 5.755 ( -9.290 -5.363 -12.450) 16.434 5.805 ( 3.136 1.810 4.084) 5.458 6.259 ( -1.826 -1.054 8.858) 9.105 6.772 ( 6.847 3.953 -2.082) 8.176 6.833 ( -4.775 -2.757 5.554) 7.827 7.889 ( -9.487 -5.477 -15.401) 18.899 8.682 ( -6.855 -3.958 2.752) 8.381 9.344 ( -3.878 -2.239 0.209) 4.483 9.556 ( -11.907 -6.874 -8.913) 16.385 9.769 ( 9.405 5.430 1.490) 10.962 10.292 ( 11.276 6.510 -9.205) 15.946 11.043 ( 13.040 7.528 3.312) 15.417 12.939 ( 2.905 1.677 23.597) 23.834 13.909 ( 15.549 8.977 30.398) 35.305 15.195 ( -13.655 -7.884 -25.039) 29.590 16.099 ( 3.685 2.128 -8.022) 9.081 18.872 ( -8.316 -4.801 -2.672) 9.967 19.023 ( -4.586 -2.648 -3.615) 6.412 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 8.951 5.168 19.681) 22.230 3.413 ( 6.808 3.931 15.725) 17.580 3.864 ( -0.830 -0.479 16.303) 16.331 4.319 ( 5.833 3.368 1.870) 6.990 4.738 ( 11.375 6.567 -3.132) 13.503 5.144 ( -7.365 -4.252 2.634) 8.903 5.462 ( -10.200 -5.889 -11.010) 16.122 5.717 ( -8.267 -4.773 -0.145) 9.547 6.423 ( 5.678 3.278 6.674) 9.356 6.794 ( 0.484 0.280 8.577) 8.596 6.889 ( 5.306 3.064 -4.749) 7.752 7.563 ( -10.260 -5.924 -15.081) 19.178 8.605 ( -1.212 -0.700 -2.988) 3.299 9.145 ( -15.973 -9.222 -14.701) 23.586 9.287 ( -1.746 -1.008 3.309) 3.875 10.086 ( 12.733 7.351 10.863) 18.280 10.437 ( 5.847 3.376 -4.784) 8.275 11.306 ( 6.394 3.692 11.173) 13.392 13.240 ( 11.231 6.484 20.551) 24.300 14.443 ( 15.246 8.802 28.614) 33.596 14.693 ( -16.086 -9.287 -27.667) 33.323 16.074 ( -3.975 -2.295 0.281) 4.599 18.700 ( -4.017 -2.319 -6.693) 8.143 18.871 ( -5.638 -3.255 -7.781) 10.146 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 19.020 10.981 7.421) 23.182 3.517 ( -3.829 -2.211 4.613) 6.390 3.831 ( -7.592 -4.383 2.046) 9.002 4.474 ( 5.787 3.341 4.636) 8.133 4.959 ( 8.323 4.805 0.608) 9.630 5.038 ( -3.820 -2.206 4.332) 6.182 5.158 ( -10.084 -5.822 -12.734) 17.255 5.551 ( -6.114 -3.530 2.497) 7.489 6.450 ( -1.525 -0.880 -2.476) 3.038 6.928 ( 0.368 0.212 -6.148) 6.163 7.031 ( 12.096 6.983 10.408) 17.419 7.287 ( -5.084 -2.935 -12.505) 13.815 8.545 ( -1.402 -0.810 -8.473) 8.626 8.678 ( -16.662 -9.620 -16.564) 25.387 9.324 ( 2.164 1.249 6.902) 7.341 10.431 ( 9.969 5.756 15.162) 19.036 10.508 ( 2.204 1.272 0.123) 2.547 11.477 ( 1.045 0.603 17.518) 17.560 13.668 ( 14.345 8.282 15.634) 22.778 14.151 ( -14.993 -8.656 -25.717) 31.001 14.945 ( 14.135 8.161 25.179) 30.006 15.922 ( -11.987 -6.920 8.217) 16.096 18.613 ( 1.051 0.607 -10.286) 10.357 18.681 ( -5.202 -3.004 -13.080) 14.393 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 22.162 12.795 -2.100) 25.677 3.317 ( -12.600 -7.275 -6.236) 15.829 3.570 ( -11.501 -6.640 -8.493) 15.763 4.610 ( 0.621 0.359 10.495) 10.520 4.832 ( -11.865 -6.850 -4.919) 14.557 5.038 ( 2.097 1.211 -5.111) 5.656 5.083 ( 0.596 0.344 5.172) 5.218 5.493 ( -1.464 -0.845 5.434) 5.691 6.426 ( 3.126 1.805 -7.755) 8.554 6.814 ( -5.778 -3.336 -5.840) 8.867 7.213 ( 3.269 1.888 -8.704) 9.487 7.370 ( 12.784 7.381 6.339) 16.065 8.206 ( -15.446 -8.918 -16.985) 24.630 8.438 ( -2.129 -1.229 -11.094) 11.364 9.452 ( 4.599 2.655 7.187) 8.936 10.552 ( 0.585 0.338 4.848) 4.895 10.689 ( 2.895 1.671 18.059) 18.366 11.593 ( -0.852 -0.492 19.938) 19.962 13.491 ( -17.349 -10.017 -26.812) 33.470 14.280 ( 19.138 11.049 17.568) 28.231 15.387 ( 12.215 7.052 20.437) 24.832 15.648 ( -18.617 -10.749 14.323) 25.832 18.482 ( -3.329 -1.922 -18.808) 19.197 18.611 ( 4.816 2.781 -11.817) 13.061 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -17.048 -9.842 -12.234) 23.177 3.059 ( -18.271 -10.549 -15.183) 25.993 3.825 ( 26.150 15.098 -4.014) 30.461 4.460 ( -14.679 -8.475 3.987) 17.412 4.698 ( -3.516 -2.030 4.661) 6.181 5.053 ( -5.945 -3.432 6.351) 9.351 5.081 ( 4.178 2.412 -2.620) 5.490 5.532 ( 1.010 0.583 6.264) 6.372 6.494 ( 7.398 4.271 -10.163) 13.276 6.636 ( -6.501 -3.753 -7.478) 10.596 7.247 ( 1.357 0.783 -3.397) 3.741 7.668 ( 11.313 6.531 1.741) 13.178 7.819 ( -7.994 -4.615 -15.392) 17.948 8.338 ( 0.502 0.290 -12.122) 12.136 9.592 ( 3.976 2.296 4.875) 6.697 10.606 ( 0.607 0.351 8.530) 8.559 10.769 ( -6.735 -3.889 20.813) 22.218 11.703 ( 0.049 0.028 17.105) 17.105 12.937 ( -16.618 -9.595 -24.603) 31.201 14.847 ( 19.935 11.509 20.063) 30.535 15.268 ( -23.758 -13.717 17.894) 32.754 15.756 ( 9.996 5.771 15.583) 19.392 18.302 ( -0.435 -0.251 -24.169) 24.174 18.670 ( 6.796 3.924 -11.360) 13.807 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -0.000 -6.033 33.333) 33.874 2.632 ( -0.000 0.278 32.735) 32.736 3.611 ( -0.000 9.136 35.583) 36.737 4.181 ( 0.000 1.671 -3.573) 3.945 4.305 ( 0.000 6.653 -5.326) 8.522 5.534 ( -0.000 2.124 12.847) 13.021 5.559 ( -0.000 -1.425 7.832) 7.961 5.932 ( 0.000 -8.338 -11.462) 14.173 6.480 ( -0.000 -6.355 0.866) 6.414 6.538 ( -0.000 2.654 1.279) 2.946 6.913 ( -0.000 -1.725 6.363) 6.592 8.066 ( 0.000 -6.536 -14.778) 16.159 8.954 ( -0.000 -21.465 6.968) 22.568 9.338 ( 0.000 -1.240 -6.032) 6.158 9.456 ( 0.000 -23.689 -9.953) 25.695 9.750 ( -0.000 20.477 7.579) 21.834 10.417 ( 0.000 31.338 -11.683) 33.445 10.530 ( 0.000 9.812 -6.786) 11.930 12.913 ( -0.000 -16.043 28.242) 32.480 13.628 ( -0.000 23.580 30.416) 38.485 15.562 ( 0.000 -3.550 -22.891) 23.164 15.884 ( 0.000 8.171 -17.156) 19.003 19.048 ( -0.000 -13.695 0.281) 13.698 19.106 ( -0.000 -4.145 -1.030) 4.271 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -10.691 -3.856 34.350) 36.181 3.004 ( 15.192 -0.378 28.246) 32.074 3.887 ( -0.781 6.485 26.176) 26.979 4.187 ( 1.022 4.024 -3.716) 5.572 4.390 ( 6.853 7.035 -8.686) 13.111 5.427 ( -7.419 -6.933 -0.577) 10.170 5.662 ( -1.080 -7.321 1.520) 7.555 5.858 ( 2.278 2.790 5.627) 6.681 6.333 ( -5.127 -5.378 3.015) 8.019 6.652 ( 6.974 1.252 -2.135) 7.400 6.913 ( -2.541 -2.555 6.439) 7.378 7.848 ( -5.102 -8.661 -15.824) 18.747 8.705 ( -6.673 -16.109 3.810) 17.848 9.215 ( 5.016 -21.523 -8.667) 23.739 9.412 ( 7.888 -2.482 0.531) 8.286 9.925 ( -9.852 19.240 0.682) 21.627 10.421 ( -5.863 24.855 -4.701) 25.966 10.902 ( 16.495 16.201 -4.672) 23.588 12.971 ( 4.131 -13.274 27.509) 30.823 14.102 ( 5.012 23.452 30.102) 38.487 15.239 ( -14.516 -1.217 -26.114) 29.902 15.955 ( 8.667 6.354 -14.767) 18.263 18.862 ( -3.823 -16.240 0.619) 16.695 19.021 ( -2.628 -6.485 -2.711) 7.504 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -3.401 -0.907 29.063) 29.275 3.405 ( 11.520 1.695 21.083) 24.085 4.007 ( -4.487 1.052 11.695) 12.570 4.252 ( 5.045 3.173 -2.607) 6.505 4.548 ( 10.871 4.511 -7.812) 14.126 5.188 ( -4.156 -10.428 -11.925) 16.378 5.524 ( -9.913 -3.197 7.219) 12.672 5.860 ( -8.404 -1.606 2.580) 8.936 6.388 ( 7.613 1.386 8.309) 11.354 6.739 ( 5.590 -1.667 -3.068) 6.591 6.880 ( -2.188 -0.589 4.738) 5.251 7.553 ( -7.735 -8.278 -15.098) 18.876 8.532 ( -0.075 -11.756 1.228) 11.820 9.024 ( -0.250 -15.720 -10.302) 18.797 9.476 ( -2.958 0.035 5.305) 6.074 9.919 ( 0.618 8.262 -5.974) 10.214 10.640 ( -1.636 27.028 5.521) 27.634 11.265 ( 11.833 10.885 2.022) 16.205 13.164 ( 12.027 -9.320 25.613) 29.792 14.596 ( 4.704 19.572 24.396) 31.628 14.773 ( -17.689 0.785 -24.885) 30.542 16.046 ( 4.528 3.208 -8.423) 10.086 18.651 ( -2.759 -13.864 -1.616) 14.228 18.860 ( -4.689 -7.881 -6.207) 11.073 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 7.500 3.830 17.617) 19.527 3.610 ( -2.777 1.150 6.209) 6.899 3.909 ( -6.202 -5.790 -0.737) 8.517 4.387 ( 8.595 2.026 0.416) 8.840 4.710 ( 12.104 -5.134 -2.563) 13.396 4.987 ( -0.291 -6.088 -14.873) 16.073 5.387 ( -12.742 4.316 10.045) 16.789 5.700 ( -9.154 -0.792 3.716) 9.912 6.483 ( -2.470 -1.254 1.883) 3.350 6.812 ( 6.302 -2.140 -6.219) 9.109 6.953 ( 8.163 1.336 8.001) 11.508 7.272 ( -6.292 -4.727 -12.360) 14.652 8.451 ( 0.769 -8.637 -1.650) 8.827 8.749 ( -9.665 -7.554 -13.756) 18.431 9.437 ( -6.418 6.577 4.275) 10.135 10.038 ( 14.804 -10.942 1.516) 18.471 10.909 ( -5.016 29.077 9.051) 30.863 11.530 ( 6.370 4.565 9.994) 12.700 13.511 ( 19.032 -5.917 22.783) 30.270 14.210 ( -20.257 -3.249 -28.884) 35.428 15.091 ( 5.829 20.583 24.466) 32.499 16.041 ( -3.481 -1.352 0.215) 3.740 18.502 ( 1.194 -8.694 -5.709) 10.469 18.641 ( -5.473 -7.791 -11.153) 14.665 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 16.802 7.457 4.618) 18.954 3.382 ( -11.042 -10.732 -12.139) 19.607 3.719 ( -14.172 1.056 -4.635) 14.948 4.575 ( 9.555 0.859 4.887) 10.766 4.773 ( 1.639 -14.092 -2.839) 14.468 4.870 ( 5.530 -2.646 -7.701) 9.843 5.317 ( -10.935 8.256 8.655) 16.206 5.617 ( -5.865 2.654 7.035) 9.536 6.409 ( -2.967 0.953 -3.457) 4.654 6.763 ( -0.180 -7.599 -7.605) 10.752 7.122 ( 2.579 -0.370 -6.055) 6.592 7.241 ( 12.212 3.644 3.255) 13.153 8.287 ( -11.310 -6.291 -8.197) 15.320 8.456 ( -7.753 1.461 -12.488) 14.771 9.472 ( 0.445 4.341 4.663) 6.386 10.190 ( 16.661 -18.929 8.463) 26.599 11.120 ( -9.048 25.102 9.590) 28.354 11.705 ( 2.170 0.479 16.212) 16.363 13.579 ( -20.003 -3.044 -24.847) 32.043 14.041 ( 23.899 -4.985 18.267) 30.490 15.511 ( 4.922 18.083 19.807) 27.268 15.901 ( -12.119 -6.194 8.656) 16.129 18.397 ( -4.728 -5.814 -16.762) 18.361 18.455 ( 5.406 -2.941 -9.338) 11.184 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -12.130 -15.782 -14.907) 24.868 3.355 ( -20.713 7.182 -10.681) 24.386 3.489 ( 21.600 8.518 -5.363) 23.830 4.549 ( -7.436 -8.983 -5.842) 13.043 4.752 ( 3.512 -0.779 9.949) 10.579 4.929 ( 7.285 -5.472 -0.678) 9.136 5.245 ( -10.219 1.636 8.034) 13.102 5.630 ( -3.319 4.967 8.278) 10.209 6.400 ( 2.686 5.832 -8.186) 10.403 6.608 ( -2.858 -7.890 -7.503) 11.257 7.169 ( 5.255 1.165 -3.359) 6.345 7.493 ( 12.439 0.564 -1.100) 12.500 7.946 ( -15.361 2.612 -10.695) 18.898 8.320 ( -4.111 3.097 -10.189) 11.416 9.565 ( 3.572 0.739 3.621) 5.140 10.341 ( 15.346 -19.316 13.299) 28.026 11.188 ( -13.462 13.966 10.838) 22.220 11.831 ( -0.336 0.892 16.675) 16.702 13.034 ( -20.680 -2.474 -24.350) 32.042 14.578 ( 28.645 -5.316 21.154) 36.004 15.627 ( -19.425 -9.543 14.691) 26.158 15.854 ( 3.695 13.784 14.405) 20.276 18.171 ( -2.917 -1.488 -21.918) 22.161 18.500 ( 8.007 1.591 -10.839) 13.570 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -0.000 -2.604 32.537) 32.641 2.994 ( -0.000 -5.590 32.526) 33.003 4.105 ( -0.000 4.357 19.376) 19.860 4.212 ( 0.000 8.180 -4.348) 9.264 4.318 ( 0.000 5.758 -15.124) 16.183 5.271 ( 0.000 -19.083 -13.243) 23.228 5.790 ( -0.000 4.175 15.386) 15.942 5.857 ( -0.000 -0.626 7.266) 7.293 6.303 ( -0.000 -9.724 -2.134) 9.955 6.606 ( 0.000 3.451 -0.286) 3.463 6.949 ( -0.000 -2.940 6.902) 7.502 7.693 ( 0.000 -10.294 -16.071) 19.086 8.646 ( -0.000 -19.866 7.449) 21.216 8.860 ( 0.000 -20.505 -5.974) 21.357 9.362 ( 0.000 4.961 -4.812) 6.912 10.290 ( -0.000 23.474 6.382) 24.326 10.632 ( 0.000 9.155 -6.807) 11.408 10.895 ( 0.000 31.018 -7.247) 31.853 12.958 ( -0.000 -16.403 28.460) 32.849 14.504 ( -0.000 26.602 29.155) 39.467 15.224 ( 0.000 2.320 -28.661) 28.755 15.826 ( 0.000 8.442 -17.016) 18.995 18.716 ( -0.000 -21.795 3.625) 22.095 18.947 ( 0.000 -9.755 -3.054) 10.222 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -10.729 -4.637 32.201) 34.257 3.317 ( 15.594 -4.194 27.359) 31.769 4.133 ( -6.988 -2.270 -11.211) 13.405 4.216 ( 1.366 3.972 1.610) 4.498 4.398 ( 7.166 6.318 -4.799) 10.691 5.017 ( -1.071 -12.590 -10.486) 16.420 5.757 ( -9.298 1.190 10.121) 13.796 5.938 ( -2.056 -5.081 2.528) 6.036 6.289 ( 8.509 -1.833 6.060) 10.606 6.650 ( 2.062 1.058 -1.766) 2.914 6.939 ( -2.658 -3.124 6.019) 7.284 7.470 ( -3.518 -8.109 -14.768) 17.211 8.442 ( -3.307 -16.692 6.156) 18.095 8.754 ( 7.379 -16.487 -4.108) 18.524 9.424 ( 4.624 2.322 -0.309) 5.184 10.236 ( -21.075 16.692 -9.028) 28.360 10.884 ( 10.162 17.966 6.746) 21.715 11.216 ( 7.151 24.154 -4.820) 25.647 13.040 ( 7.309 -15.517 27.916) 32.765 14.878 ( -13.836 8.601 -16.189) 22.967 14.982 ( -1.224 20.744 12.347) 24.172 15.900 ( 8.901 7.410 -14.912) 18.881 18.517 ( -1.059 -21.394 4.471) 21.882 18.793 ( -2.766 -11.676 -4.933) 12.974 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -3.821 -3.921 25.771) 26.347 3.649 ( 4.364 -2.612 6.230) 8.043 3.854 ( 0.495 -13.038 -6.132) 14.417 4.304 ( 3.065 5.376 -1.905) 6.475 4.513 ( 4.721 -0.471 -0.915) 4.832 4.872 ( -1.360 -2.005 -9.469) 9.774 5.682 ( -9.167 3.708 8.552) 13.074 5.814 ( -4.442 -4.556 0.644) 6.395 6.480 ( 5.415 -0.973 5.261) 7.612 6.662 ( 2.846 -2.946 -3.813) 5.597 6.909 ( 0.704 -2.861 5.992) 6.677 7.251 ( -5.312 -2.878 -12.250) 13.659 8.342 ( 2.359 -11.804 6.880) 13.865 8.665 ( 1.191 -9.984 -7.474) 12.529 9.536 ( 5.395 -2.695 7.558) 9.669 9.974 ( -15.327 10.782 -13.542) 23.120 11.262 ( 4.318 21.148 10.711) 24.096 11.502 ( 6.757 14.350 -1.394) 15.922 13.265 ( 15.918 -13.828 26.431) 33.811 14.394 ( -23.067 3.757 -30.642) 38.538 15.391 ( 2.468 22.435 22.286) 31.719 16.012 ( 5.345 4.439 -8.697) 11.131 18.348 ( 0.851 -16.392 2.297) 16.574 18.574 ( -4.838 -11.354 -8.113) 14.769 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 6.405 -0.206 13.919) 15.323 3.324 ( -9.434 -13.987 -21.097) 27.013 3.958 ( -5.821 4.294 10.119) 12.438 4.383 ( 9.847 -1.340 -7.561) 12.487 4.588 ( 6.461 -6.757 9.244) 13.148 4.774 ( -1.672 1.158 -12.048) 12.219 5.624 ( -10.014 5.474 7.453) 13.630 5.754 ( -2.356 0.441 4.413) 5.022 6.467 ( -4.300 -0.815 -0.680) 4.429 6.615 ( 1.824 -8.967 -6.034) 10.961 7.028 ( 7.129 -1.120 4.555) 8.534 7.129 ( 1.472 2.846 -7.329) 7.999 8.327 ( -0.895 -5.559 4.928) 7.482 8.503 ( -5.508 -2.271 -11.529) 12.978 9.597 ( -4.838 3.071 5.446) 7.906 9.847 ( 6.932 -7.579 -2.563) 10.586 11.528 ( -5.489 22.170 5.494) 23.491 11.714 ( 7.433 2.230 8.221) 11.305 13.624 ( 19.466 -10.755 21.535) 30.957 13.845 ( -20.495 2.329 -26.218) 33.359 15.750 ( 2.372 17.337 16.551) 24.086 16.028 ( -3.034 -0.299 0.229) 3.057 18.272 ( 4.642 -8.634 -2.027) 10.010 18.325 ( -5.547 -7.820 -11.720) 15.142 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -10.632 -7.333 -12.622) 18.059 3.175 ( 17.180 2.807 -0.794) 17.426 3.757 ( -22.461 8.417 -7.897) 25.253 4.488 ( 4.439 -13.041 1.034) 13.815 4.647 ( 6.018 3.845 -2.821) 7.679 4.790 ( 6.574 -2.488 4.147) 8.161 5.515 ( -12.927 1.170 7.724) 15.104 5.776 ( -1.627 2.158 6.664) 7.191 6.396 ( -1.732 3.228 -6.336) 7.319 6.510 ( 0.124 -7.274 -4.636) 8.626 7.092 ( 3.241 2.460 -1.359) 4.289 7.280 ( 11.450 0.443 -2.281) 11.684 8.180 ( -13.812 3.327 -6.124) 15.470 8.367 ( -3.511 2.285 -7.098) 8.241 9.562 ( -1.953 1.272 -0.438) 2.371 9.975 ( 16.052 -16.651 12.669) 26.371 11.567 ( -11.401 11.547 2.655) 16.443 11.898 ( 4.512 -0.731 12.874) 13.661 13.279 ( -24.643 6.007 -23.741) 34.742 14.128 ( 29.391 -12.330 21.557) 38.478 15.901 ( -12.229 -5.073 8.806) 15.900 16.002 ( 2.189 9.018 8.934) 12.882 18.110 ( -4.879 -0.143 -14.295) 15.105 18.310 ( 8.035 -0.899 -6.067) 10.108 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -0.000 -4.908 30.013) 30.411 3.217 ( -0.000 -11.791 28.053) 30.431 3.960 ( 0.000 -13.721 -30.230) 33.199 4.270 ( -0.000 5.392 2.604) 5.988 4.438 ( -0.000 8.934 5.296) 10.386 4.915 ( 0.000 -0.443 -4.765) 4.786 5.860 ( -0.000 -10.835 -2.729) 11.174 5.895 ( -0.000 -3.011 2.575) 3.962 6.253 ( -0.000 3.131 11.992) 12.394 6.636 ( 0.000 -1.573 -0.586) 1.679 6.976 ( -0.000 -2.653 5.738) 6.322 7.348 ( 0.000 -3.796 -12.419) 12.986 8.369 ( -0.000 -19.621 9.132) 21.642 8.495 ( -0.000 -12.998 -1.175) 13.051 9.418 ( 0.000 6.182 -3.836) 7.276 10.702 ( 0.000 7.036 -7.155) 10.035 10.726 ( 0.000 19.479 -4.459) 19.983 11.442 ( 0.000 27.835 0.822) 27.847 12.997 ( -0.000 -16.660 28.085) 32.655 14.926 ( 0.000 7.355 -32.624) 33.443 15.337 ( -0.000 23.115 22.961) 32.581 15.785 ( 0.000 9.397 -16.263) 18.782 18.348 ( -0.000 -23.188 9.138) 24.924 18.664 ( 0.000 -13.591 -4.331) 14.265 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -10.718 -10.090 27.179) 30.909 3.475 ( 12.096 -10.141 7.425) 17.444 3.614 ( 2.433 -15.641 -12.230) 20.003 4.349 ( 0.215 5.873 4.098) 7.165 4.537 ( -1.644 7.155 1.412) 7.476 4.894 ( -4.112 6.303 -5.350) 9.233 5.722 ( 1.918 -10.927 -4.710) 12.052 5.850 ( -2.155 -0.658 -0.040) 2.254 6.420 ( 4.498 1.353 11.318) 12.254 6.587 ( 0.182 -6.812 -1.985) 7.098 6.951 ( -3.190 -1.715 5.008) 6.180 7.253 ( -3.329 2.816 -9.332) 10.300 8.235 ( 1.192 -15.797 10.813) 19.181 8.456 ( 6.302 -11.366 -0.780) 13.020 9.476 ( 2.720 3.681 -1.030) 4.692 10.369 ( -24.265 11.460 -11.862) 29.339 11.175 ( 20.269 10.045 -1.595) 22.678 11.689 ( -0.927 23.002 -0.285) 23.023 13.080 ( 8.270 -16.575 27.291) 32.984 14.625 ( -18.674 9.300 -31.838) 38.064 15.682 ( 2.220 17.443 16.221) 23.923 15.870 ( 8.327 9.114 -13.487) 18.284 18.201 ( 0.309 -19.732 10.688) 22.443 18.483 ( -2.920 -12.308 -4.261) 13.348 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -2.793 -9.412 20.224) 22.482 3.205 ( -6.370 -7.813 -19.963) 22.364 3.872 ( 19.658 -11.325 17.283) 28.520 4.405 ( -8.655 12.443 -7.110) 16.742 4.538 ( 0.772 -3.310 9.119) 9.732 4.802 ( -6.679 5.130 -10.259) 13.273 5.698 ( 5.860 -5.298 -0.336) 7.907 5.820 ( -2.906 2.689 -1.530) 4.245 6.469 ( 1.180 -8.236 0.406) 8.330 6.519 ( -2.445 -3.736 2.362) 5.051 6.977 ( 2.810 2.144 6.141) 7.086 7.159 ( -5.510 5.189 -6.973) 10.291 8.259 ( 6.489 -10.081 12.074) 17.015 8.430 ( 2.300 -6.531 -4.041) 8.018 9.563 ( 5.624 -2.404 4.619) 7.665 9.996 ( -21.524 9.228 -13.695) 27.130 11.554 ( 16.074 4.024 2.674) 16.785 11.829 ( -4.009 16.160 -3.622) 17.040 13.303 ( 17.385 -16.434 25.762) 35.157 14.150 ( -25.331 11.068 -28.681) 39.834 15.933 ( 2.473 9.008 8.668) 12.743 16.001 ( 5.276 6.068 -7.950) 11.307 18.127 ( 2.479 -12.347 8.490) 15.188 18.293 ( -5.059 -6.548 -4.063) 9.218 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -6.981 3.104 -9.664) 12.319 2.966 ( 6.179 -4.494 9.664) 12.319 4.162 ( -10.774 2.318 -16.571) 19.901 4.162 ( 7.394 -8.172 16.571) 19.901 4.683 ( -3.739 5.828 -11.813) 13.693 4.683 ( 6.917 -0.325 11.813) 13.693 5.745 ( 0.452 -4.237 -4.526) 6.216 5.745 ( -3.895 -1.727 4.526) 6.216 6.432 ( -2.465 -1.168 -2.554) 3.737 6.432 ( 0.221 -2.719 2.554) 3.737 7.120 ( 2.191 4.597 -5.733) 7.668 7.120 ( 2.885 4.196 5.733) 7.668 8.347 ( -2.631 -0.439 -8.574) 8.979 8.347 ( 0.936 -2.498 8.574) 8.979 9.684 ( -10.647 2.585 -12.001) 16.250 9.684 ( 7.562 -7.928 12.001) 16.250 11.814 ( -7.169 7.324 -6.388) 12.077 11.814 ( 9.928 -2.547 6.388) 12.077 13.664 ( -25.998 13.602 -23.365) 37.508 13.664 ( 24.779 -15.714 23.365) 37.508 16.034 ( -0.360 -0.625 -1.255) 1.447 16.034 ( -0.361 -0.624 1.255) 1.447 18.159 ( -5.650 3.417 -3.336) 7.398 18.159 ( 5.785 -3.184 3.336) 7.398 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -0.000 -9.473 7.485) 12.073 3.245 ( -0.000 -16.226 19.981) 25.740 3.381 ( 0.000 -10.505 -4.355) 11.372 4.437 ( -0.000 2.796 10.056) 10.437 4.652 ( 0.000 10.582 -1.370) 10.670 5.017 ( 0.000 11.852 -2.481) 12.109 5.512 ( 0.000 -13.901 -9.776) 16.995 5.805 ( 0.000 -4.008 -5.251) 6.606 6.481 ( -0.000 -10.491 -2.376) 10.756 6.508 ( -0.000 2.575 14.477) 14.704 6.999 ( -0.000 -0.300 3.534) 3.547 7.298 ( 0.000 8.880 -5.450) 10.419 8.120 ( -0.000 -19.290 11.200) 22.306 8.306 ( -0.000 -8.348 3.505) 9.053 9.492 ( 0.000 5.990 -3.504) 6.939 10.720 ( 0.000 4.546 -7.663) 8.910 10.949 ( 0.000 13.776 -10.339) 17.224 11.877 ( 0.000 15.852 -3.264) 16.185 13.018 ( -0.000 -17.082 26.309) 31.368 14.713 ( 0.000 13.836 -31.532) 34.434 15.729 ( 0.000 9.624 -13.549) 16.620 15.928 ( -0.000 9.633 7.008) 11.912 18.100 ( -0.000 -17.993 16.294) 24.274 18.388 ( -0.000 -9.204 0.175) 9.206 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -7.815 -12.636 14.307) 20.626 3.180 ( -3.412 1.875 -5.579) 6.803 3.520 ( 17.216 -15.181 16.052) 28.009 4.526 ( 0.764 -0.204 12.095) 12.121 4.681 ( -7.083 9.689 -4.330) 12.760 4.958 ( -12.149 5.089 -7.666) 15.240 5.461 ( 11.270 -7.048 -6.177) 14.658 5.768 ( 4.136 -2.236 -7.574) 8.915 6.376 ( 0.521 -7.910 0.372) 7.936 6.582 ( -2.761 -2.331 10.952) 11.533 7.024 ( -0.380 3.691 3.609) 5.176 7.307 ( -6.464 9.483 -3.470) 11.989 8.080 ( 7.751 -15.994 12.473) 21.713 8.304 ( 4.097 -6.114 4.196) 8.472 9.530 ( 0.769 3.822 -2.173) 4.463 10.396 ( -24.570 7.270 -12.199) 28.378 11.273 ( 20.527 5.159 -6.031) 22.008 11.949 ( -0.899 8.422 -9.112) 12.440 13.081 ( 8.362 -17.938 25.348) 32.159 14.495 ( -19.159 17.016 -27.455) 37.555 15.835 ( 10.111 8.800 -13.491) 19.017 15.996 ( 0.764 -1.519 -1.226) 2.097 18.065 ( 0.618 -12.319 17.682) 21.559 18.320 ( -2.964 -1.991 4.263) 5.561 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -0.000 -18.213 14.218) 23.106 3.149 ( -0.000 0.620 7.479) 7.504 3.346 ( -0.000 0.334 9.552) 9.558 4.585 ( -0.000 -5.019 13.969) 14.844 4.792 ( 0.000 8.218 -7.997) 11.467 5.136 ( 0.000 -9.681 -9.167) 13.333 5.177 ( 0.000 5.227 -4.529) 6.917 5.637 ( 0.000 -2.704 -8.653) 9.065 6.323 ( -0.000 -2.495 3.088) 3.970 6.652 ( -0.000 -5.081 11.254) 12.348 7.097 ( -0.000 6.192 3.383) 7.056 7.461 ( 0.000 12.151 -3.324) 12.597 7.914 ( -0.000 -17.576 13.348) 22.070 8.253 ( -0.000 -4.819 8.262) 9.565 9.554 ( 0.000 5.236 -4.036) 6.611 10.685 ( 0.000 2.296 -8.205) 8.520 10.994 ( 0.000 5.981 -13.935) 15.165 11.924 ( 0.000 1.431 -14.069) 14.142 12.994 ( -0.000 -18.516 24.439) 30.662 14.695 ( 0.000 21.193 -25.326) 33.024 15.725 ( 0.000 8.753 -14.844) 17.233 15.884 ( 0.000 -11.743 -10.099) 15.489 18.086 ( -0.000 -8.827 22.433) 24.107 18.400 ( -0.000 3.477 9.778) 10.378 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.000 0.000 29.825) 29.825 2.712 ( -0.000 0.000 29.825) 29.825 3.789 ( -0.000 0.000 40.910) 40.910 4.166 ( 0.000 -0.000 -6.856) 6.856 4.166 ( 0.000 -0.000 -6.856) 6.856 5.623 ( -0.000 0.000 14.000) 14.000 5.623 ( -0.000 0.000 14.000) 14.000 5.922 ( 0.000 -0.000 -16.662) 16.662 6.525 ( 0.000 -0.000 -1.219) 1.219 6.525 ( 0.000 -0.000 -1.219) 1.219 6.979 ( -0.000 0.000 8.599) 8.599 8.042 ( 0.000 -0.000 -14.744) 14.744 9.347 ( 0.000 -0.000 -1.793) 1.793 9.347 ( 0.000 -0.000 -1.793) 1.793 9.439 ( -0.000 0.000 13.274) 13.274 9.845 ( 0.000 -0.000 -10.705) 10.705 9.845 ( 0.000 -0.000 -10.705) 10.705 10.332 ( 0.000 -0.000 -8.779) 8.779 13.424 ( -0.000 0.000 30.554) 30.554 13.424 ( -0.000 0.000 30.554) 30.554 15.570 ( 0.000 -0.000 -21.818) 21.818 15.570 ( 0.000 -0.000 -21.818) 21.818 19.144 ( 0.000 -0.000 -0.154) 0.154 19.175 ( 0.000 -0.000 -0.909) 0.909 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -10.125 -5.846 33.138) 35.140 3.102 ( 10.337 5.968 24.520) 27.271 4.030 ( -1.042 -0.601 31.837) 31.860 4.109 ( 1.656 0.956 -6.542) 6.815 4.218 ( 7.184 4.148 -9.191) 12.381 5.558 ( -9.408 -5.432 3.053) 11.285 5.782 ( -4.020 -2.321 -6.700) 8.151 5.820 ( 5.871 3.390 14.198) 15.733 6.423 ( -5.610 -3.239 -0.422) 6.491 6.584 ( 5.228 3.018 -5.246) 7.998 7.008 ( -2.756 -1.591 8.928) 9.478 7.874 ( -6.107 -3.526 -15.454) 16.987 8.972 ( -16.588 -9.577 1.151) 19.189 9.447 ( -6.331 -3.655 -0.846) 7.359 9.536 ( 11.407 6.586 4.386) 13.883 9.725 ( -11.629 -6.714 -12.257) 18.181 9.924 ( 14.942 8.627 -0.928) 17.278 10.596 ( 21.810 12.592 -6.942) 26.123 13.357 ( -8.145 -4.703 30.191) 31.622 13.956 ( 15.040 8.683 30.696) 35.269 15.166 ( -12.638 -7.297 -25.738) 29.587 15.702 ( 13.028 7.522 -19.956) 24.991 19.068 ( -8.251 -4.764 -0.306) 9.533 19.097 ( -4.035 -2.330 -1.077) 4.782 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -8.533 -4.926 33.904) 35.307 3.456 ( 8.287 4.784 18.091) 20.466 4.089 ( -3.481 -2.010 5.698) 6.973 4.158 ( 6.062 3.500 -5.518) 8.913 4.408 ( 10.866 6.274 1.665) 12.657 5.280 ( -10.659 -6.154 -13.084) 17.964 5.653 ( -8.473 -4.892 6.864) 11.952 5.933 ( -4.940 -2.852 7.976) 9.805 6.398 ( 4.264 2.462 5.611) 7.465 6.673 ( 6.157 3.555 -8.356) 10.971 6.967 ( -5.272 -3.044 8.536) 10.484 7.599 ( -9.211 -5.318 -14.719) 18.160 8.691 ( -8.974 -5.181 -0.326) 10.367 9.323 ( -15.862 -9.158 -13.778) 22.919 9.341 ( -2.208 -1.275 -1.270) 2.849 9.892 ( 15.502 8.950 9.565) 20.295 10.223 ( 10.977 6.337 1.654) 12.782 11.050 ( 20.328 11.736 -2.286) 23.584 13.449 ( -0.474 -0.274 29.447) 29.452 14.477 ( 14.470 8.354 28.951) 33.427 14.683 ( -14.983 -8.650 -28.579) 33.408 15.869 ( 11.529 6.656 -15.890) 20.730 18.844 ( -10.831 -6.253 -0.340) 12.511 18.949 ( -7.659 -4.422 -4.124) 9.758 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -3.194 -1.844 27.644) 27.889 3.641 ( -0.415 -0.239 7.199) 7.215 3.970 ( -6.595 -3.808 -7.846) 10.934 4.307 ( 9.530 5.502 -2.639) 11.317 4.685 ( 12.523 7.230 1.677) 14.557 4.981 ( -6.416 -3.704 -17.343) 18.860 5.482 ( -11.559 -6.674 10.691) 17.101 5.790 ( -8.907 -5.143 6.085) 11.950 6.531 ( -0.281 -0.162 4.850) 4.861 6.742 ( 5.236 3.023 -10.434) 12.059 6.966 ( 2.953 1.705 8.965) 9.591 7.307 ( -8.750 -5.052 -11.749) 15.496 8.534 ( -4.922 -2.842 -3.399) 6.622 8.858 ( -17.236 -9.951 -15.107) 24.986 9.336 ( 1.614 0.932 1.605) 2.459 10.317 ( 15.335 8.854 13.016) 21.977 10.435 ( 6.569 3.793 3.997) 8.574 11.451 ( 14.655 8.461 4.087) 17.408 13.702 ( 6.193 3.575 26.638) 27.581 14.150 ( -15.431 -8.909 -28.321) 33.459 14.961 ( 13.220 7.632 25.600) 29.806 15.992 ( 5.991 3.459 -8.938) 11.302 18.612 ( -8.549 -4.936 -2.476) 10.177 18.709 ( -9.834 -5.678 -9.156) 14.587 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 5.924 3.420 15.328) 16.785 3.504 ( -11.111 -6.415 -6.820) 14.530 3.691 ( -11.383 -6.572 -16.050) 20.746 4.536 ( 10.546 6.089 1.639) 12.288 4.780 ( -2.872 -1.658 -16.303) 16.637 4.969 ( 11.318 6.535 1.747) 13.186 5.292 ( -11.515 -6.648 12.482) 18.237 5.670 ( -5.582 -3.223 8.102) 10.354 6.442 ( -6.773 -3.911 1.256) 7.922 6.759 ( 1.725 0.996 -11.462) 11.634 7.099 ( -3.256 -1.880 -7.250) 8.166 7.191 ( 10.397 6.003 6.529) 13.666 8.373 ( -17.242 -9.955 -15.073) 24.971 8.400 ( -4.523 -2.611 -6.368) 8.235 9.424 ( 4.289 2.476 3.960) 6.341 10.578 ( 3.536 2.041 6.449) 7.632 10.712 ( 11.679 6.743 14.051) 19.476 11.748 ( 7.622 4.401 10.589) 13.769 13.536 ( -16.960 -9.792 -26.876) 33.255 14.165 ( 13.901 8.026 24.634) 29.402 15.386 ( 11.389 6.576 21.022) 24.796 16.006 ( -2.488 -1.437 0.194) 2.880 18.406 ( -9.847 -5.685 -15.568) 19.279 18.450 ( -3.068 -1.771 -6.301) 7.229 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -0.000 -4.058 30.005) 30.278 3.192 ( -0.000 4.107 25.999) 26.321 4.062 ( 0.000 2.917 -8.936) 9.400 4.116 ( 0.000 4.801 -14.343) 15.125 4.252 ( -0.000 -2.056 31.765) 31.831 5.516 ( 0.000 -14.614 -15.414) 21.241 5.819 ( -0.000 2.690 16.502) 16.720 5.896 ( -0.000 2.721 10.122) 10.482 6.428 ( 0.000 -5.611 -6.451) 8.550 6.514 ( 0.000 3.776 -4.246) 5.682 7.071 ( -0.000 -3.263 10.304) 10.809 7.772 ( 0.000 -7.380 -15.809) 17.447 9.091 ( -0.000 -20.105 8.045) 21.655 9.245 ( 0.000 -17.138 -5.066) 17.871 9.291 ( 0.000 -7.552 -5.665) 9.440 9.891 ( 0.000 20.722 4.846) 21.281 10.229 ( 0.000 32.026 -6.270) 32.634 10.379 ( 0.000 11.361 -8.937) 14.455 13.478 ( -0.000 -17.460 30.809) 35.412 14.210 ( -0.000 22.950 30.363) 38.061 15.083 ( 0.000 -6.196 -27.267) 27.962 15.511 ( 0.000 11.308 -21.915) 24.660 19.054 ( -0.000 -11.347 0.380) 11.353 19.087 ( -0.000 -5.731 -0.881) 5.798 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -9.152 -3.874 32.566) 34.048 3.477 ( 8.367 3.241 21.069) 22.900 4.051 ( 1.708 1.915 -13.414) 13.658 4.087 ( 2.468 5.124 -12.646) 13.866 4.407 ( 1.432 -1.956 21.693) 21.828 5.210 ( -4.969 -14.555 -17.659) 23.417 5.830 ( -8.619 -1.087 12.563) 15.274 6.030 ( -0.548 -0.919 8.704) 8.770 6.348 ( 4.270 -2.199 -0.687) 4.852 6.563 ( 3.669 4.531 -6.994) 9.105 7.068 ( -3.571 -4.517 9.887) 11.442 7.552 ( -4.455 -8.773 -14.979) 17.921 8.779 ( -10.808 -13.309 4.602) 17.751 9.048 ( 2.118 -18.772 -8.754) 20.821 9.480 ( 17.406 -6.990 6.522) 19.859 9.838 ( -19.546 17.748 -8.978) 27.886 10.454 ( -0.034 29.908 6.967) 30.709 10.785 ( 22.415 16.159 -7.612) 28.662 13.529 ( 3.025 -14.902 30.768) 34.321 14.652 ( 0.347 16.388 17.881) 24.258 14.718 ( -10.887 2.271 -18.911) 21.939 15.617 ( 12.828 9.887 -20.596) 26.201 18.884 ( -5.397 -13.972 1.609) 15.065 18.969 ( -4.542 -8.603 -2.665) 10.087 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -9.203 -5.388 32.117) 33.842 3.690 ( 0.290 0.032 3.034) 3.048 3.954 ( -1.237 -1.624 -10.454) 10.652 4.160 ( 8.161 4.646 -8.160) 12.441 4.566 ( 7.159 -0.789 10.943) 13.101 4.899 ( -4.484 -8.256 -16.900) 19.336 5.718 ( -11.295 -1.746 11.119) 15.945 5.923 ( -7.313 -5.391 2.400) 9.397 6.514 ( 7.033 1.331 5.158) 8.822 6.616 ( 4.055 3.245 -8.802) 10.220 7.016 ( -2.934 -3.571 8.919) 10.046 7.291 ( -5.948 -7.781 -12.307) 15.728 8.571 ( -5.773 -7.487 3.033) 9.929 8.818 ( -4.151 -14.343 -10.914) 18.495 9.535 ( -13.938 11.713 -1.432) 18.262 9.868 ( 20.646 -9.661 3.632) 23.082 10.790 ( -2.168 30.934 8.958) 32.278 11.255 ( 20.685 12.118 -2.875) 24.145 13.702 ( 9.645 -11.491 30.254) 33.770 14.192 ( -18.749 -3.072 -30.417) 35.863 15.120 ( 4.782 19.888 25.026) 32.322 15.807 ( 12.461 8.085 -16.453) 22.166 18.653 ( -6.989 -13.040 1.692) 14.891 18.738 ( -8.485 -10.107 -6.502) 14.711 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -4.534 -4.106 24.130) 24.894 3.465 ( -6.874 -13.935 -19.590) 25.004 3.834 ( -13.299 6.694 -8.249) 17.021 4.366 ( 14.369 2.270 -0.713) 14.565 4.702 ( -1.988 -2.118 -13.747) 14.051 4.766 ( 11.907 -3.392 6.910) 14.178 5.579 ( -12.527 1.646 9.505) 15.811 5.799 ( -5.336 -1.902 4.986) 7.547 6.528 ( -5.367 -3.842 2.323) 6.997 6.645 ( 2.844 0.732 -10.114) 10.532 7.076 ( -2.276 -3.559 -7.832) 8.898 7.099 ( 6.986 -0.645 6.868) 9.817 8.440 ( -5.945 -2.870 -0.128) 6.602 8.480 ( -13.809 -7.037 -13.570) 20.600 9.471 ( -3.820 7.783 0.065) 8.670 10.152 ( 22.116 -16.942 9.844) 29.547 11.077 ( -4.377 28.113 7.821) 29.507 11.659 ( 15.345 7.551 3.677) 17.493 13.619 ( -20.525 -2.601 -27.845) 34.690 14.043 ( 17.751 -9.253 27.622) 34.113 15.520 ( 4.046 17.210 20.236) 26.871 15.956 ( 6.873 4.697 -9.171) 12.386 18.420 ( -10.759 -9.399 -11.852) 18.562 18.444 ( -4.986 -9.249 -0.380) 10.514 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.000 -2.018 28.781) 28.851 3.528 ( -0.000 -2.464 22.389) 22.524 3.921 ( 0.000 -1.679 -25.414) 25.470 4.067 ( 0.000 9.778 -7.934) 12.592 4.509 ( -0.000 -4.846 21.244) 21.790 4.998 ( 0.000 -12.967 -15.434) 20.158 5.998 ( -0.000 -4.428 6.214) 7.630 6.019 ( -0.000 -5.666 2.873) 6.353 6.263 ( -0.000 0.961 3.434) 3.566 6.565 ( 0.000 6.656 -3.770) 7.649 7.114 ( -0.000 -5.729 10.314) 11.798 7.403 ( 0.000 -9.362 -14.183) 16.994 8.766 ( -0.000 -17.035 -4.098) 17.521 8.823 ( -0.000 -20.225 11.103) 23.073 9.297 ( 0.000 3.761 -1.579) 4.079 10.288 ( 0.000 21.478 -6.737) 22.509 10.483 ( 0.000 10.374 -8.551) 13.444 10.862 ( 0.000 32.596 3.676) 32.803 13.526 ( -0.000 -18.055 30.757) 35.664 14.648 ( 0.000 0.012 -31.502) 31.502 15.036 ( -0.000 23.679 26.386) 35.453 15.458 ( 0.000 11.913 -21.547) 24.621 18.790 ( -0.000 -17.528 4.053) 17.990 18.893 ( -0.000 -11.857 -2.507) 12.119 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -9.069 -7.080 28.483) 30.719 3.601 ( -1.521 -8.190 -18.974) 20.722 3.824 ( 11.525 -4.555 6.870) 14.170 4.130 ( -1.440 11.996 -6.843) 13.886 4.581 ( 0.074 -3.534 15.751) 16.143 4.804 ( -3.066 -3.165 -12.252) 13.020 5.891 ( -2.036 -8.782 -2.600) 9.383 5.912 ( -4.839 -5.777 0.563) 7.557 6.436 ( 7.220 3.511 9.300) 12.286 6.596 ( -0.595 4.456 -3.671) 5.804 7.084 ( -3.489 -6.394 9.150) 11.695 7.216 ( -2.921 -6.130 -11.852) 13.659 8.582 ( -2.308 -13.891 6.775) 15.627 8.683 ( -1.721 -12.497 -1.632) 12.720 9.461 ( 14.396 -2.467 4.042) 15.155 10.032 ( -25.094 15.492 -11.220) 31.553 10.931 ( 25.118 13.182 -3.933) 28.638 11.185 ( -0.598 29.235 2.771) 29.372 13.601 ( 6.874 -17.599 30.555) 35.925 14.303 ( -16.403 2.708 -31.804) 35.887 15.428 ( 2.297 20.620 21.461) 29.850 15.562 ( 11.745 11.715 -19.542) 25.634 18.618 ( -3.601 -17.148 5.982) 18.515 18.708 ( -5.073 -13.069 -3.879) 14.546 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -4.217 -13.034 -27.987) 31.160 3.261 ( -9.180 -10.169 27.987) 31.160 4.105 ( -2.384 7.650 -15.349) 17.315 4.105 ( 7.817 1.761 15.349) 17.315 4.664 ( -4.308 1.734 -11.554) 12.453 4.664 ( 3.656 -2.863 11.554) 12.453 5.796 ( 2.256 -5.938 -3.315) 7.166 5.796 ( -6.271 -1.015 3.315) 7.166 6.575 ( -0.846 -0.478 -4.879) 4.975 6.575 ( 0.009 -0.971 4.879) 4.975 7.051 ( -4.178 -1.022 -8.883) 9.869 7.051 ( 1.204 -4.129 8.883) 9.869 8.501 ( -5.512 -5.831 -9.182) 12.194 8.501 ( -2.294 -7.689 9.182) 12.194 9.725 ( -11.153 7.305 -11.959) 17.910 9.725 ( 11.903 -6.006 11.959) 17.910 11.428 ( 14.595 13.902 -6.429) 21.157 11.428 ( 4.742 19.591 6.429) 21.157 13.809 ( -21.708 4.321 -30.269) 37.499 13.809 ( 14.596 -16.639 30.269) 37.499 15.766 ( 13.137 9.494 -16.750) 23.308 15.766 ( 1.653 16.124 16.750) 23.308 18.433 ( -9.408 -10.913 -6.294) 15.723 18.433 ( -4.747 -13.604 6.294) 15.723 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 0.000 -11.341 -24.680) 27.161 3.616 ( -0.000 -9.864 11.690) 15.296 3.643 ( -0.000 -7.107 19.017) 20.302 4.267 ( 0.000 14.315 0.231) 14.317 4.651 ( -0.000 -3.669 15.440) 15.870 4.795 ( 0.000 6.836 -7.418) 10.088 5.709 ( 0.000 -13.287 -11.380) 17.494 5.889 ( 0.000 -7.577 -3.260) 8.248 6.509 ( -0.000 5.909 13.610) 14.837 6.604 ( 0.000 -1.665 -2.770) 3.232 7.113 ( -0.000 -6.648 8.677) 10.931 7.139 ( 0.000 0.811 -9.706) 9.740 8.492 ( -0.000 -9.564 0.951) 9.611 8.584 ( -0.000 -20.328 13.246) 24.262 9.364 ( 0.000 4.884 -1.884) 5.235 10.555 ( 0.000 7.590 -7.722) 10.827 10.560 ( 0.000 18.753 -11.731) 22.120 11.473 ( 0.000 24.471 1.172) 24.499 13.553 ( -0.000 -18.957 29.655) 35.197 14.306 ( 0.000 7.072 -31.767) 32.545 15.407 ( 0.000 12.235 -20.681) 24.029 15.743 ( -0.000 16.773 16.523) 23.544 18.528 ( -0.000 -17.182 9.638) 19.700 18.605 ( -0.000 -13.151 -1.616) 13.250 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -0.000 0.000 24.944) 24.944 3.234 ( -0.000 0.000 24.944) 24.944 3.971 ( 0.000 -0.000 -13.505) 13.505 3.971 ( 0.000 -0.000 -13.505) 13.505 4.505 ( -0.000 0.000 34.282) 34.282 5.559 ( 0.000 -0.000 -21.654) 21.654 5.917 ( -0.000 0.000 16.243) 16.243 5.917 ( -0.000 0.000 16.243) 16.243 6.433 ( 0.000 -0.000 -8.440) 8.440 6.433 ( 0.000 -0.000 -8.440) 8.440 7.180 ( -0.000 0.000 12.457) 12.457 7.746 ( 0.000 -0.000 -16.010) 16.010 9.360 ( -0.000 0.000 3.348) 3.348 9.360 ( -0.000 0.000 3.348) 3.348 9.645 ( 0.000 -0.000 -10.178) 10.178 9.645 ( 0.000 -0.000 -10.178) 10.178 9.691 ( -0.000 0.000 13.088) 13.088 10.148 ( 0.000 -0.000 -10.584) 10.584 14.012 ( -0.000 0.000 30.882) 30.882 14.012 ( -0.000 0.000 30.882) 30.882 15.113 ( 0.000 -0.000 -26.037) 26.037 15.113 ( 0.000 -0.000 -26.037) 26.037 19.144 ( -0.000 0.000 0.093) 0.093 19.159 ( 0.000 -0.000 -0.719) 0.719 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -5.487 -3.168 28.412) 29.110 3.518 ( 6.805 3.929 19.183) 20.730 3.910 ( 2.822 1.629 -18.928) 19.206 3.927 ( 4.087 2.360 -12.534) 13.393 4.641 ( -5.343 -3.085 28.520) 29.180 5.291 ( -9.553 -5.515 -22.098) 24.699 5.953 ( -4.940 -2.852 14.832) 15.891 6.095 ( 2.453 1.416 13.391) 13.687 6.354 ( -0.066 -0.038 -6.283) 6.283 6.420 ( 4.448 2.568 -11.711) 12.788 7.213 ( -4.298 -2.481 12.524) 13.472 7.578 ( -5.540 -3.198 -15.358) 16.637 9.010 ( -17.443 -10.071 3.483) 20.441 9.376 ( -5.382 -3.107 -5.421) 8.247 9.489 ( -13.060 -7.540 -12.182) 19.386 9.662 ( 14.652 8.459 8.453) 18.913 10.012 ( 13.084 7.554 8.521) 17.346 10.440 ( 24.901 14.377 -9.174) 30.181 13.946 ( -8.440 -4.873 31.309) 32.791 14.527 ( 14.006 8.086 29.130) 33.318 14.643 ( -14.201 -8.199 -29.082) 33.386 15.276 ( 16.264 9.390 -24.673) 31.007 19.067 ( -7.490 -4.325 0.135) 8.650 19.078 ( -5.843 -3.373 -0.898) 6.806 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -8.118 -4.687 30.768) 32.164 3.718 ( 1.363 0.787 6.541) 6.727 3.832 ( 0.921 0.532 -21.955) 21.981 4.015 ( 10.223 5.902 -6.743) 13.595 4.680 ( -2.680 -1.548 17.859) 18.126 4.922 ( -9.639 -5.565 -21.575) 24.277 5.873 ( -9.548 -5.513 12.644) 16.775 6.044 ( -7.943 -4.586 2.183) 9.428 6.466 ( 5.975 3.450 -12.728) 14.478 6.484 ( 8.236 4.755 4.167) 10.383 7.158 ( -6.617 -3.820 11.524) 13.827 7.336 ( -7.411 -4.279 -12.875) 15.460 8.705 ( -11.599 -6.697 2.074) 13.553 9.060 ( -16.937 -9.779 -13.502) 23.765 9.304 ( 0.633 0.365 -1.875) 2.012 10.099 ( 17.664 10.198 11.450) 23.390 10.323 ( 9.940 5.739 7.709) 13.826 10.968 ( 25.421 14.677 -5.838) 29.929 14.026 ( -4.049 -2.338 23.730) 24.186 14.129 ( -12.864 -7.427 -22.492) 26.955 15.000 ( 12.516 7.226 25.751) 29.529 15.506 ( 17.112 9.880 -21.960) 29.541 18.855 ( -11.289 -6.518 1.398) 13.110 18.869 ( -11.298 -6.523 -4.231) 13.715 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -0.000 -1.098 24.736) 24.761 3.617 ( -0.000 4.555 18.469) 19.022 3.769 ( 0.000 0.554 -21.667) 21.674 3.845 ( 0.000 6.055 -13.543) 14.835 4.816 ( -0.000 -8.485 27.515) 28.794 5.134 ( 0.000 -11.695 -23.329) 26.097 6.122 ( -0.000 -0.464 11.839) 11.848 6.124 ( -0.000 -2.312 11.017) 11.257 6.254 ( 0.000 -1.642 -8.589) 8.745 6.377 ( 0.000 7.174 -9.381) 11.809 7.300 ( -0.000 -4.911 13.584) 14.444 7.477 ( 0.000 -6.640 -14.947) 16.355 9.111 ( 0.000 -22.143 -6.938) 23.204 9.269 ( -0.000 -17.657 10.696) 20.644 9.287 ( -0.000 -3.005 3.146) 4.350 9.836 ( 0.000 19.234 -8.648) 21.088 10.196 ( 0.000 12.813 -10.075) 16.299 10.265 ( -0.000 31.448 8.159) 32.489 14.069 ( -0.000 -17.510 30.918) 35.532 14.534 ( 0.000 -8.442 -30.162) 31.321 14.770 ( -0.000 21.301 28.229) 35.363 15.054 ( 0.000 14.124 -25.990) 29.580 19.063 ( -0.000 -9.005 0.623) 9.026 19.074 ( -0.000 -7.297 -0.558) 7.318 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 0.596 -5.135 -24.298) 24.842 3.583 ( -4.745 -2.052 24.298) 24.842 3.859 ( 2.835 8.097 -11.657) 14.473 3.859 ( 5.595 6.504 11.657) 14.473 4.832 ( -5.041 -9.054 -21.567) 23.927 4.832 ( -5.320 -8.892 21.567) 23.927 6.045 ( -1.088 -9.086 -7.915) 12.099 6.045 ( -7.325 -5.485 7.915) 12.099 6.409 ( -0.038 9.432 -7.841) 12.266 6.409 ( 8.187 4.683 7.841) 12.266 7.286 ( -3.342 -7.420 -12.870) 15.226 7.286 ( -4.755 -6.604 12.870) 15.226 8.892 ( -1.269 -17.377 -7.299) 18.890 8.892 ( -14.415 -9.787 7.299) 18.890 9.644 ( -18.961 15.040 -10.168) 26.251 9.644 ( 22.506 -8.901 10.168) 26.251 10.620 ( 25.689 16.125 -9.343) 31.737 10.620 ( 1.120 30.310 9.343) 31.737 14.123 ( -14.898 -4.723 -31.263) 34.952 14.123 ( 3.358 -15.263 31.263) 34.952 15.179 ( 15.313 12.714 -25.217) 32.125 15.179 ( 3.354 19.619 25.217) 32.125 18.922 ( -6.832 -10.485 -2.281) 12.720 18.922 ( -5.664 -11.159 2.281) 12.720 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 0.000 -0.000 -19.468) 19.468 3.657 ( 0.000 -0.000 -19.468) 19.468 3.657 ( -0.000 0.000 19.468) 19.468 3.657 ( -0.000 0.000 19.468) 19.468 5.092 ( 0.000 -0.000 -27.598) 27.598 5.092 ( -0.000 0.000 27.598) 27.598 6.213 ( 0.000 -0.000 -14.209) 14.209 6.213 ( 0.000 -0.000 -14.209) 14.209 6.213 ( -0.000 0.000 14.209) 14.209 6.213 ( -0.000 0.000 14.209) 14.209 7.446 ( 0.000 -0.000 -15.213) 15.213 7.446 ( -0.000 0.000 15.213) 15.213 9.470 ( 0.000 -0.000 -7.851) 7.851 9.470 ( -0.000 0.000 7.851) 7.851 9.470 ( 0.000 -0.000 -7.851) 7.851 9.470 ( -0.000 0.000 7.851) 7.851 9.932 ( 0.000 -0.000 -12.092) 12.092 9.932 ( -0.000 0.000 12.092) 12.092 14.586 ( 0.000 -0.000 -29.209) 29.209 14.586 ( 0.000 -0.000 -29.209) 29.209 14.586 ( -0.000 0.000 29.209) 29.209 14.586 ( -0.000 0.000 29.209) 29.209 19.148 ( 0.000 -0.000 -0.415) 0.415 19.148 ( -0.000 0.000 0.415) 0.415 =================== 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 3/41472 10.0 2586.975 2586.975 3707.845 0.000 -0.000 0.000 3/41472 20.0 1427.922 1427.922 2217.862 0.000 -0.000 0.000 3/41472 30.0 519.706 519.706 768.566 0.000 -0.000 0.000 3/41472 40.0 248.262 248.262 358.257 0.000 -0.000 0.000 3/41472 50.0 145.751 145.751 208.465 0.000 -0.000 0.000 3/41472 60.0 97.367 97.367 138.520 0.000 -0.000 0.000 3/41472 70.0 70.889 70.889 100.397 0.000 -0.000 0.000 3/41472 80.0 54.804 54.804 77.304 0.000 -0.000 0.000 3/41472 90.0 44.255 44.255 62.199 0.000 -0.000 0.000 3/41472 100.0 36.922 36.922 51.727 0.000 -0.000 0.000 3/41472 110.0 31.589 31.589 44.129 0.000 -0.000 0.000 3/41472 120.0 27.567 27.567 38.413 0.000 -0.000 0.000 3/41472 130.0 24.443 24.443 33.982 0.000 -0.000 0.000 3/41472 140.0 21.955 21.955 30.461 0.000 -0.000 0.000 3/41472 150.0 19.932 19.932 27.604 0.000 -0.000 0.000 3/41472 160.0 18.258 18.258 25.245 0.000 -0.000 0.000 3/41472 170.0 16.851 16.851 23.265 0.000 -0.000 0.000 3/41472 180.0 15.653 15.653 21.582 0.000 -0.000 0.000 3/41472 190.0 14.620 14.620 20.134 0.000 -0.000 0.000 3/41472 200.0 13.721 13.721 18.875 0.000 -0.000 0.000 3/41472 210.0 12.930 12.930 17.770 0.000 -0.000 0.000 3/41472 220.0 12.230 12.230 16.793 0.000 -0.000 0.000 3/41472 230.0 11.605 11.605 15.922 0.000 -0.000 0.000 3/41472 240.0 11.044 11.044 15.141 0.000 -0.000 0.000 3/41472 250.0 10.537 10.537 14.436 0.000 -0.000 0.000 3/41472 260.0 10.076 10.076 13.797 0.000 -0.000 0.000 3/41472 270.0 9.656 9.656 13.215 0.000 -0.000 0.000 3/41472 280.0 9.271 9.271 12.681 0.000 -0.000 0.000 3/41472 290.0 8.917 8.917 12.191 0.000 -0.000 0.000 3/41472 300.0 8.590 8.590 11.739 0.000 -0.000 0.000 3/41472 310.0 8.287 8.287 11.320 0.000 -0.000 0.000 3/41472 320.0 8.005 8.005 10.931 0.000 -0.000 0.000 3/41472 330.0 7.743 7.743 10.570 0.000 -0.000 0.000 3/41472 340.0 7.498 7.498 10.232 0.000 -0.000 0.000 3/41472 350.0 7.268 7.268 9.915 0.000 -0.000 0.000 3/41472 360.0 7.052 7.052 9.619 0.000 -0.000 0.000 3/41472 370.0 6.850 6.850 9.340 0.000 -0.000 0.000 3/41472 380.0 6.658 6.658 9.077 0.000 -0.000 0.000 3/41472 390.0 6.478 6.478 8.829 0.000 -0.000 0.000 3/41472 400.0 6.307 6.307 8.595 0.000 -0.000 0.000 3/41472 410.0 6.146 6.146 8.373 0.000 -0.000 0.000 3/41472 420.0 5.992 5.992 8.162 0.000 -0.000 0.000 3/41472 430.0 5.846 5.846 7.962 0.000 -0.000 0.000 3/41472 440.0 5.708 5.708 7.772 0.000 -0.000 0.000 3/41472 450.0 5.576 5.576 7.591 0.000 -0.000 0.000 3/41472 460.0 5.450 5.450 7.419 0.000 -0.000 0.000 3/41472 470.0 5.329 5.329 7.254 0.000 -0.000 0.000 3/41472 480.0 5.214 5.214 7.096 0.000 -0.000 0.000 3/41472 490.0 5.104 5.104 6.946 0.000 -0.000 0.000 3/41472 500.0 4.999 4.999 6.802 0.000 -0.000 0.000 3/41472 510.0 4.898 4.898 6.663 0.000 -0.000 0.000 3/41472 520.0 4.801 4.801 6.531 0.000 -0.000 0.000 3/41472 530.0 4.707 4.707 6.403 0.000 -0.000 0.000 3/41472 540.0 4.618 4.618 6.281 0.000 -0.000 0.000 3/41472 550.0 4.532 4.532 6.163 0.000 -0.000 0.000 3/41472 560.0 4.449 4.449 6.050 0.000 -0.000 0.000 3/41472 570.0 4.369 4.369 5.940 0.000 -0.000 0.000 3/41472 580.0 4.291 4.291 5.835 0.000 -0.000 0.000 3/41472 590.0 4.217 4.217 5.733 0.000 -0.000 0.000 3/41472 600.0 4.145 4.145 5.635 0.000 -0.000 0.000 3/41472 610.0 4.076 4.076 5.541 0.000 -0.000 0.000 3/41472 620.0 4.009 4.009 5.449 0.000 -0.000 0.000 3/41472 630.0 3.944 3.944 5.361 0.000 -0.000 0.000 3/41472 640.0 3.881 3.881 5.275 0.000 -0.000 0.000 3/41472 650.0 3.820 3.820 5.192 0.000 -0.000 0.000 3/41472 660.0 3.761 3.761 5.112 0.000 -0.000 0.000 3/41472 670.0 3.704 3.704 5.034 0.000 -0.000 0.000 3/41472 680.0 3.649 3.649 4.958 0.000 -0.000 0.000 3/41472 690.0 3.595 3.595 4.885 0.000 -0.000 0.000 3/41472 700.0 3.543 3.543 4.814 0.000 -0.000 0.000 3/41472 710.0 3.492 3.492 4.745 0.000 -0.000 0.000 3/41472 720.0 3.443 3.443 4.678 0.000 -0.000 0.000 3/41472 730.0 3.395 3.395 4.613 0.000 -0.000 0.000 3/41472 740.0 3.349 3.349 4.549 0.000 -0.000 0.000 3/41472 750.0 3.303 3.303 4.488 0.000 -0.000 0.000 3/41472 760.0 3.259 3.259 4.428 0.000 -0.000 0.000 3/41472 770.0 3.216 3.216 4.369 0.000 -0.000 0.000 3/41472 780.0 3.175 3.175 4.312 0.000 -0.000 0.000 3/41472 790.0 3.134 3.134 4.257 0.000 -0.000 0.000 3/41472 800.0 3.094 3.094 4.203 0.000 -0.000 0.000 3/41472 810.0 3.056 3.056 4.150 0.000 -0.000 0.000 3/41472 820.0 3.018 3.018 4.099 0.000 -0.000 0.000 3/41472 830.0 2.981 2.981 4.049 0.000 -0.000 0.000 3/41472 840.0 2.945 2.945 4.000 0.000 -0.000 0.000 3/41472 850.0 2.910 2.910 3.953 0.000 -0.000 0.000 3/41472 860.0 2.876 2.876 3.906 0.000 -0.000 0.000 3/41472 870.0 2.843 2.843 3.861 0.000 -0.000 0.000 3/41472 880.0 2.810 2.810 3.816 0.000 -0.000 0.000 3/41472 890.0 2.778 2.778 3.773 0.000 -0.000 0.000 3/41472 900.0 2.747 2.747 3.730 0.000 -0.000 0.000 3/41472 910.0 2.717 2.717 3.689 0.000 -0.000 0.000 3/41472 920.0 2.687 2.687 3.648 0.000 -0.000 0.000 3/41472 930.0 2.658 2.658 3.609 0.000 -0.000 0.000 3/41472 940.0 2.629 2.629 3.570 0.000 -0.000 0.000 3/41472 950.0 2.601 2.601 3.532 0.000 -0.000 0.000 3/41472 960.0 2.574 2.574 3.495 0.000 -0.000 0.000 3/41472 970.0 2.547 2.547 3.459 0.000 -0.000 0.000 3/41472 980.0 2.521 2.521 3.423 0.000 -0.000 0.000 3/41472 990.0 2.495 2.495 3.388 0.000 -0.000 0.000 3/41472 1000.0 2.470 2.470 3.354 0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|