----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540329755000000 -3.677254289999999 0.000000000000000 b 3.540329755000000 3.677254289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.165853389999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *3 I 0.53140560932318 0.46859439067682 0.25000000000000 126.904 4 I 0.46859439067682 0.53140560932318 0.75000000000000 126.904 *5 O 0.68618755812242 0.31381244187758 0.44448296132266 15.999 6 O 0.68618755812242 0.31381244187758 0.05551703867734 15.999 7 O 0.31381244187758 0.68618755812242 0.55551703867734 15.999 8 O 0.31381244187758 0.68618755812242 0.94448296132266 15.999 *9 F 0.18121057016594 0.24040158833681 0.75000000000000 18.998 10 F 0.75959841166319 0.81878942983406 0.75000000000000 18.998 11 F 0.24040158833681 0.18121057016594 0.25000000000000 18.998 12 F 0.81878942983406 0.75959841166319 0.25000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.080659510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.354508579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.165853389999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 2 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 2 *5 I 0.50000000000000 0.96859439067682 0.25000000000000 126.904 > 3 6 I 0.50000000000000 0.03140560932318 0.75000000000000 126.904 > 4 7 I 0.00000000000000 0.46859439067682 0.25000000000000 126.904 > 3 8 I 0.00000000000000 0.53140560932318 0.75000000000000 126.904 > 4 *9 O 0.50000000000000 0.81381244187758 0.44448296132266 15.999 > 5 10 O 0.50000000000000 0.81381244187758 0.05551703867734 15.999 > 6 11 O 0.50000000000000 0.18618755812242 0.55551703867734 15.999 > 7 12 O 0.50000000000000 0.18618755812242 0.94448296132266 15.999 > 8 13 O 0.00000000000000 0.31381244187758 0.44448296132266 15.999 > 5 14 O 0.00000000000000 0.31381244187758 0.05551703867734 15.999 > 6 15 O 0.00000000000000 0.68618755812242 0.55551703867734 15.999 > 7 16 O 0.00000000000000 0.68618755812242 0.94448296132266 15.999 > 8 *17 F 0.21080607925138 0.02959550908544 0.75000000000000 18.998 > 9 18 F 0.78919392074862 0.02959550908544 0.75000000000000 18.998 > 10 19 F 0.21080607925138 0.97040449091456 0.25000000000000 18.998 > 11 20 F 0.78919392074862 0.97040449091456 0.25000000000000 18.998 > 12 21 F 0.71080607925138 0.52959550908544 0.75000000000000 18.998 > 9 22 F 0.28919392074862 0.52959550908544 0.75000000000000 18.998 > 10 23 F 0.71080607925138 0.47040449091456 0.25000000000000 18.998 > 11 24 F 0.28919392074862 0.47040449091456 0.25000000000000 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.161319020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.354508579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.331706779999998 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 2 6 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 2 7 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 2 8 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 2 9 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 1 10 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 1 11 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 1 12 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 1 13 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 2 14 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 2 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 2 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 2 *17 I 0.25000000000000 0.96859439067682 0.12500000000000 126.904 > 3 18 I 0.75000000000000 0.96859439067682 0.12500000000000 126.904 > 3 19 I 0.25000000000000 0.96859439067682 0.62500000000000 126.904 > 3 20 I 0.75000000000000 0.96859439067682 0.62500000000000 126.904 > 3 21 I 0.25000000000000 0.03140560932318 0.37500000000000 126.904 > 4 22 I 0.75000000000000 0.03140560932318 0.37500000000000 126.904 > 4 23 I 0.25000000000000 0.03140560932318 0.87500000000000 126.904 > 4 24 I 0.75000000000000 0.03140560932318 0.87500000000000 126.904 > 4 25 I 0.00000000000000 0.46859439067682 0.12500000000000 126.904 > 3 26 I 0.50000000000000 0.46859439067682 0.12500000000000 126.904 > 3 27 I 0.00000000000000 0.46859439067682 0.62500000000000 126.904 > 3 28 I 0.50000000000000 0.46859439067682 0.62500000000000 126.904 > 3 29 I 0.00000000000000 0.53140560932318 0.37500000000000 126.904 > 4 30 I 0.50000000000000 0.53140560932318 0.37500000000000 126.904 > 4 31 I 0.00000000000000 0.53140560932318 0.87500000000000 126.904 > 4 32 I 0.50000000000000 0.53140560932318 0.87500000000000 126.904 > 4 *33 O 0.25000000000000 0.81381244187758 0.22224148066133 15.999 > 5 34 O 0.75000000000000 0.81381244187758 0.22224148066133 15.999 > 5 35 O 0.25000000000000 0.81381244187758 0.72224148066133 15.999 > 5 36 O 0.75000000000000 0.81381244187758 0.72224148066133 15.999 > 5 37 O 0.25000000000000 0.81381244187758 0.02775851933867 15.999 > 6 38 O 0.75000000000000 0.81381244187758 0.02775851933867 15.999 > 6 39 O 0.25000000000000 0.81381244187758 0.52775851933867 15.999 > 6 40 O 0.75000000000000 0.81381244187758 0.52775851933867 15.999 > 6 41 O 0.25000000000000 0.18618755812242 0.27775851933867 15.999 > 7 42 O 0.75000000000000 0.18618755812242 0.27775851933867 15.999 > 7 43 O 0.25000000000000 0.18618755812242 0.77775851933867 15.999 > 7 44 O 0.75000000000000 0.18618755812242 0.77775851933867 15.999 > 7 45 O 0.25000000000000 0.18618755812242 0.47224148066133 15.999 > 8 46 O 0.75000000000000 0.18618755812242 0.47224148066133 15.999 > 8 47 O 0.25000000000000 0.18618755812242 0.97224148066133 15.999 > 8 48 O 0.75000000000000 0.18618755812242 0.97224148066133 15.999 > 8 49 O 0.00000000000000 0.31381244187758 0.22224148066133 15.999 > 5 50 O 0.50000000000000 0.31381244187758 0.22224148066133 15.999 > 5 51 O 0.00000000000000 0.31381244187758 0.72224148066133 15.999 > 5 52 O 0.50000000000000 0.31381244187758 0.72224148066133 15.999 > 5 53 O 0.00000000000000 0.31381244187758 0.02775851933867 15.999 > 6 54 O 0.50000000000000 0.31381244187758 0.02775851933867 15.999 > 6 55 O 0.00000000000000 0.31381244187758 0.52775851933867 15.999 > 6 56 O 0.50000000000000 0.31381244187758 0.52775851933867 15.999 > 6 57 O 0.00000000000000 0.68618755812242 0.27775851933867 15.999 > 7 58 O 0.50000000000000 0.68618755812242 0.27775851933867 15.999 > 7 59 O 0.00000000000000 0.68618755812242 0.77775851933867 15.999 > 7 60 O 0.50000000000000 0.68618755812242 0.77775851933867 15.999 > 7 61 O 0.00000000000000 0.68618755812242 0.47224148066133 15.999 > 8 62 O 0.50000000000000 0.68618755812242 0.47224148066133 15.999 > 8 63 O 0.00000000000000 0.68618755812242 0.97224148066133 15.999 > 8 64 O 0.50000000000000 0.68618755812242 0.97224148066133 15.999 > 8 *65 F 0.10540303962569 0.02959550908544 0.37500000000000 18.998 > 9 66 F 0.60540303962569 0.02959550908544 0.37500000000000 18.998 > 9 67 F 0.10540303962569 0.02959550908544 0.87500000000000 18.998 > 9 68 F 0.60540303962569 0.02959550908544 0.87500000000000 18.998 > 9 69 F 0.39459696037431 0.02959550908544 0.37500000000000 18.998 > 10 70 F 0.89459696037431 0.02959550908544 0.37500000000000 18.998 > 10 71 F 0.39459696037431 0.02959550908544 0.87500000000000 18.998 > 10 72 F 0.89459696037431 0.02959550908544 0.87500000000000 18.998 > 10 73 F 0.10540303962569 0.97040449091456 0.12500000000000 18.998 > 11 74 F 0.60540303962569 0.97040449091456 0.12500000000000 18.998 > 11 75 F 0.10540303962569 0.97040449091456 0.62500000000000 18.998 > 11 76 F 0.60540303962569 0.97040449091456 0.62500000000000 18.998 > 11 77 F 0.39459696037431 0.97040449091456 0.12500000000000 18.998 > 12 78 F 0.89459696037431 0.97040449091456 0.12500000000000 18.998 > 12 79 F 0.39459696037431 0.97040449091456 0.62500000000000 18.998 > 12 80 F 0.89459696037431 0.97040449091456 0.62500000000000 18.998 > 12 81 F 0.35540303962569 0.52959550908544 0.37500000000000 18.998 > 9 82 F 0.85540303962569 0.52959550908544 0.37500000000000 18.998 > 9 83 F 0.35540303962569 0.52959550908544 0.87500000000000 18.998 > 9 84 F 0.85540303962569 0.52959550908544 0.87500000000000 18.998 > 9 85 F 0.14459696037431 0.52959550908544 0.37500000000000 18.998 > 10 86 F 0.64459696037431 0.52959550908544 0.37500000000000 18.998 > 10 87 F 0.14459696037431 0.52959550908544 0.87500000000000 18.998 > 10 88 F 0.64459696037431 0.52959550908544 0.87500000000000 18.998 > 10 89 F 0.35540303962569 0.47040449091456 0.12500000000000 18.998 > 11 90 F 0.85540303962569 0.47040449091456 0.12500000000000 18.998 > 11 91 F 0.35540303962569 0.47040449091456 0.62500000000000 18.998 > 11 92 F 0.85540303962569 0.47040449091456 0.62500000000000 18.998 > 11 93 F 0.14459696037431 0.47040449091456 0.12500000000000 18.998 > 12 94 F 0.64459696037431 0.47040449091456 0.12500000000000 18.998 > 12 95 F 0.14459696037431 0.47040449091456 0.62500000000000 18.998 > 12 96 F 0.64459696037431 0.47040449091456 0.62500000000000 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6081026 0.0000000 0.0000000 0.0000000 2.3019501 0.0000000 0.0000000 0.0000000 3.4984181 -------------------------- Born effective charges -------------------------- 1 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 -0.0281977 0.0000000 -0.2116153 1.0567393 2 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 0.0281977 0.0000000 0.2116153 1.0567393 3 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 4 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 5 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 6 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 7 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 8 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 9 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 10 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 11 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 12 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 ---------------------------------------------------------------------------- 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: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.603 Solver_block: 200 / 240 - Time: 0.592 Solver_block: 240 / 240 - Time: 0.290 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.501 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:34:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:34:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540329755000000 -3.677254289999999 0.000000000000000 b 3.540329755000000 3.677254289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.165853389999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 3 I 0.53140560932318 0.46859439067682 0.25000000000000 126.904 4 I 0.46859439067682 0.53140560932318 0.75000000000000 126.904 5 O 0.68618755812242 0.31381244187758 0.44448296132266 15.999 6 O 0.68618755812242 0.31381244187758 0.05551703867734 15.999 7 O 0.31381244187758 0.68618755812242 0.55551703867734 15.999 8 O 0.31381244187758 0.68618755812242 0.94448296132266 15.999 9 F 0.18121057016594 0.24040158833681 0.75000000000000 18.998 10 F 0.75959841166319 0.81878942983406 0.75000000000000 18.998 11 F 0.24040158833681 0.18121057016594 0.25000000000000 18.998 12 F 0.81878942983406 0.75959841166319 0.25000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.161319020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.354508579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.331706779999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 5 7 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 5 8 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 5 9 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 1 10 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 1 11 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 1 12 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 1 13 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 5 14 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 5 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 5 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 5 17 I 0.25000000000000 0.96859439067682 0.12500000000000 126.904 > 17 18 I 0.75000000000000 0.96859439067682 0.12500000000000 126.904 > 17 19 I 0.25000000000000 0.96859439067682 0.62500000000000 126.904 > 17 20 I 0.75000000000000 0.96859439067682 0.62500000000000 126.904 > 17 21 I 0.25000000000000 0.03140560932318 0.37500000000000 126.904 > 21 22 I 0.75000000000000 0.03140560932318 0.37500000000000 126.904 > 21 23 I 0.25000000000000 0.03140560932318 0.87500000000000 126.904 > 21 24 I 0.75000000000000 0.03140560932318 0.87500000000000 126.904 > 21 25 I 0.00000000000000 0.46859439067682 0.12500000000000 126.904 > 17 26 I 0.50000000000000 0.46859439067682 0.12500000000000 126.904 > 17 27 I 0.00000000000000 0.46859439067682 0.62500000000000 126.904 > 17 28 I 0.50000000000000 0.46859439067682 0.62500000000000 126.904 > 17 29 I 0.00000000000000 0.53140560932318 0.37500000000000 126.904 > 21 30 I 0.50000000000000 0.53140560932318 0.37500000000000 126.904 > 21 31 I 0.00000000000000 0.53140560932318 0.87500000000000 126.904 > 21 32 I 0.50000000000000 0.53140560932318 0.87500000000000 126.904 > 21 33 O 0.25000000000000 0.81381244187758 0.22224148066133 15.999 > 33 34 O 0.75000000000000 0.81381244187758 0.22224148066133 15.999 > 33 35 O 0.25000000000000 0.81381244187758 0.72224148066133 15.999 > 33 36 O 0.75000000000000 0.81381244187758 0.72224148066133 15.999 > 33 37 O 0.25000000000000 0.81381244187758 0.02775851933867 15.999 > 37 38 O 0.75000000000000 0.81381244187758 0.02775851933867 15.999 > 37 39 O 0.25000000000000 0.81381244187758 0.52775851933867 15.999 > 37 40 O 0.75000000000000 0.81381244187758 0.52775851933867 15.999 > 37 41 O 0.25000000000000 0.18618755812242 0.27775851933867 15.999 > 41 42 O 0.75000000000000 0.18618755812242 0.27775851933867 15.999 > 41 43 O 0.25000000000000 0.18618755812242 0.77775851933867 15.999 > 41 44 O 0.75000000000000 0.18618755812242 0.77775851933867 15.999 > 41 45 O 0.25000000000000 0.18618755812242 0.47224148066133 15.999 > 45 46 O 0.75000000000000 0.18618755812242 0.47224148066133 15.999 > 45 47 O 0.25000000000000 0.18618755812242 0.97224148066133 15.999 > 45 48 O 0.75000000000000 0.18618755812242 0.97224148066133 15.999 > 45 49 O 0.00000000000000 0.31381244187758 0.22224148066133 15.999 > 33 50 O 0.50000000000000 0.31381244187758 0.22224148066133 15.999 > 33 51 O 0.00000000000000 0.31381244187758 0.72224148066133 15.999 > 33 52 O 0.50000000000000 0.31381244187758 0.72224148066133 15.999 > 33 53 O 0.00000000000000 0.31381244187758 0.02775851933867 15.999 > 37 54 O 0.50000000000000 0.31381244187758 0.02775851933867 15.999 > 37 55 O 0.00000000000000 0.31381244187758 0.52775851933867 15.999 > 37 56 O 0.50000000000000 0.31381244187758 0.52775851933867 15.999 > 37 57 O 0.00000000000000 0.68618755812242 0.27775851933867 15.999 > 41 58 O 0.50000000000000 0.68618755812242 0.27775851933867 15.999 > 41 59 O 0.00000000000000 0.68618755812242 0.77775851933867 15.999 > 41 60 O 0.50000000000000 0.68618755812242 0.77775851933867 15.999 > 41 61 O 0.00000000000000 0.68618755812242 0.47224148066133 15.999 > 45 62 O 0.50000000000000 0.68618755812242 0.47224148066133 15.999 > 45 63 O 0.00000000000000 0.68618755812242 0.97224148066133 15.999 > 45 64 O 0.50000000000000 0.68618755812242 0.97224148066133 15.999 > 45 65 F 0.10540303962569 0.02959550908544 0.37500000000000 18.998 > 65 66 F 0.60540303962569 0.02959550908544 0.37500000000000 18.998 > 65 67 F 0.10540303962569 0.02959550908544 0.87500000000000 18.998 > 65 68 F 0.60540303962569 0.02959550908544 0.87500000000000 18.998 > 65 69 F 0.39459696037431 0.02959550908544 0.37500000000000 18.998 > 69 70 F 0.89459696037431 0.02959550908544 0.37500000000000 18.998 > 69 71 F 0.39459696037431 0.02959550908544 0.87500000000000 18.998 > 69 72 F 0.89459696037431 0.02959550908544 0.87500000000000 18.998 > 69 73 F 0.10540303962569 0.97040449091456 0.12500000000000 18.998 > 73 74 F 0.60540303962569 0.97040449091456 0.12500000000000 18.998 > 73 75 F 0.10540303962569 0.97040449091456 0.62500000000000 18.998 > 73 76 F 0.60540303962569 0.97040449091456 0.62500000000000 18.998 > 73 77 F 0.39459696037431 0.97040449091456 0.12500000000000 18.998 > 77 78 F 0.89459696037431 0.97040449091456 0.12500000000000 18.998 > 77 79 F 0.39459696037431 0.97040449091456 0.62500000000000 18.998 > 77 80 F 0.89459696037431 0.97040449091456 0.62500000000000 18.998 > 77 81 F 0.35540303962569 0.52959550908544 0.37500000000000 18.998 > 65 82 F 0.85540303962569 0.52959550908544 0.37500000000000 18.998 > 65 83 F 0.35540303962569 0.52959550908544 0.87500000000000 18.998 > 65 84 F 0.85540303962569 0.52959550908544 0.87500000000000 18.998 > 65 85 F 0.14459696037431 0.52959550908544 0.37500000000000 18.998 > 69 86 F 0.64459696037431 0.52959550908544 0.37500000000000 18.998 > 69 87 F 0.14459696037431 0.52959550908544 0.87500000000000 18.998 > 69 88 F 0.64459696037431 0.52959550908544 0.87500000000000 18.998 > 69 89 F 0.35540303962569 0.47040449091456 0.12500000000000 18.998 > 73 90 F 0.85540303962569 0.47040449091456 0.12500000000000 18.998 > 73 91 F 0.35540303962569 0.47040449091456 0.62500000000000 18.998 > 73 92 F 0.85540303962569 0.47040449091456 0.62500000000000 18.998 > 73 93 F 0.14459696037431 0.47040449091456 0.12500000000000 18.998 > 77 94 F 0.64459696037431 0.47040449091456 0.12500000000000 18.998 > 77 95 F 0.14459696037431 0.47040449091456 0.62500000000000 18.998 > 77 96 F 0.64459696037431 0.47040449091456 0.62500000000000 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6081026 0.0000000 0.0000000 0.0000000 2.3019501 0.0000000 0.0000000 0.0000000 3.4984181 -------------------------- Born effective charges -------------------------- 1 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 -0.0281977 0.0000000 -0.2116153 1.0567393 2 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 0.0281977 0.0000000 0.2116153 1.0567393 3 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 4 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 5 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 6 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 7 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 8 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 9 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 10 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 11 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 12 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (yyy) -0.00000011 (yyy) -0.00000011 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:34:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:34:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.540329755000000 -3.677254289999999 0.000000000000000 b 3.540329755000000 3.677254289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.165853389999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 3 I 0.53140560932318 0.46859439067682 0.25000000000000 126.904 4 I 0.46859439067682 0.53140560932318 0.75000000000000 126.904 5 O 0.68618755812242 0.31381244187758 0.44448296132266 15.999 6 O 0.68618755812242 0.31381244187758 0.05551703867734 15.999 7 O 0.31381244187758 0.68618755812242 0.55551703867734 15.999 8 O 0.31381244187758 0.68618755812242 0.94448296132266 15.999 9 F 0.18121057016594 0.24040158833681 0.75000000000000 18.998 10 F 0.75959841166319 0.81878942983406 0.75000000000000 18.998 11 F 0.24040158833681 0.18121057016594 0.25000000000000 18.998 12 F 0.81878942983406 0.75959841166319 0.25000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.161319020000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.354508579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.331706779999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 5 7 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 5 8 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 5 9 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 1 10 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 1 11 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 1 12 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 1 13 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 5 14 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 5 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 5 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 5 17 I 0.25000000000000 0.96859439067682 0.12500000000000 126.904 > 17 18 I 0.75000000000000 0.96859439067682 0.12500000000000 126.904 > 17 19 I 0.25000000000000 0.96859439067682 0.62500000000000 126.904 > 17 20 I 0.75000000000000 0.96859439067682 0.62500000000000 126.904 > 17 21 I 0.25000000000000 0.03140560932318 0.37500000000000 126.904 > 21 22 I 0.75000000000000 0.03140560932318 0.37500000000000 126.904 > 21 23 I 0.25000000000000 0.03140560932318 0.87500000000000 126.904 > 21 24 I 0.75000000000000 0.03140560932318 0.87500000000000 126.904 > 21 25 I 0.00000000000000 0.46859439067682 0.12500000000000 126.904 > 17 26 I 0.50000000000000 0.46859439067682 0.12500000000000 126.904 > 17 27 I 0.00000000000000 0.46859439067682 0.62500000000000 126.904 > 17 28 I 0.50000000000000 0.46859439067682 0.62500000000000 126.904 > 17 29 I 0.00000000000000 0.53140560932318 0.37500000000000 126.904 > 21 30 I 0.50000000000000 0.53140560932318 0.37500000000000 126.904 > 21 31 I 0.00000000000000 0.53140560932318 0.87500000000000 126.904 > 21 32 I 0.50000000000000 0.53140560932318 0.87500000000000 126.904 > 21 33 O 0.25000000000000 0.81381244187758 0.22224148066133 15.999 > 33 34 O 0.75000000000000 0.81381244187758 0.22224148066133 15.999 > 33 35 O 0.25000000000000 0.81381244187758 0.72224148066133 15.999 > 33 36 O 0.75000000000000 0.81381244187758 0.72224148066133 15.999 > 33 37 O 0.25000000000000 0.81381244187758 0.02775851933867 15.999 > 37 38 O 0.75000000000000 0.81381244187758 0.02775851933867 15.999 > 37 39 O 0.25000000000000 0.81381244187758 0.52775851933867 15.999 > 37 40 O 0.75000000000000 0.81381244187758 0.52775851933867 15.999 > 37 41 O 0.25000000000000 0.18618755812242 0.27775851933867 15.999 > 41 42 O 0.75000000000000 0.18618755812242 0.27775851933867 15.999 > 41 43 O 0.25000000000000 0.18618755812242 0.77775851933867 15.999 > 41 44 O 0.75000000000000 0.18618755812242 0.77775851933867 15.999 > 41 45 O 0.25000000000000 0.18618755812242 0.47224148066133 15.999 > 45 46 O 0.75000000000000 0.18618755812242 0.47224148066133 15.999 > 45 47 O 0.25000000000000 0.18618755812242 0.97224148066133 15.999 > 45 48 O 0.75000000000000 0.18618755812242 0.97224148066133 15.999 > 45 49 O 0.00000000000000 0.31381244187758 0.22224148066133 15.999 > 33 50 O 0.50000000000000 0.31381244187758 0.22224148066133 15.999 > 33 51 O 0.00000000000000 0.31381244187758 0.72224148066133 15.999 > 33 52 O 0.50000000000000 0.31381244187758 0.72224148066133 15.999 > 33 53 O 0.00000000000000 0.31381244187758 0.02775851933867 15.999 > 37 54 O 0.50000000000000 0.31381244187758 0.02775851933867 15.999 > 37 55 O 0.00000000000000 0.31381244187758 0.52775851933867 15.999 > 37 56 O 0.50000000000000 0.31381244187758 0.52775851933867 15.999 > 37 57 O 0.00000000000000 0.68618755812242 0.27775851933867 15.999 > 41 58 O 0.50000000000000 0.68618755812242 0.27775851933867 15.999 > 41 59 O 0.00000000000000 0.68618755812242 0.77775851933867 15.999 > 41 60 O 0.50000000000000 0.68618755812242 0.77775851933867 15.999 > 41 61 O 0.00000000000000 0.68618755812242 0.47224148066133 15.999 > 45 62 O 0.50000000000000 0.68618755812242 0.47224148066133 15.999 > 45 63 O 0.00000000000000 0.68618755812242 0.97224148066133 15.999 > 45 64 O 0.50000000000000 0.68618755812242 0.97224148066133 15.999 > 45 65 F 0.10540303962569 0.02959550908544 0.37500000000000 18.998 > 65 66 F 0.60540303962569 0.02959550908544 0.37500000000000 18.998 > 65 67 F 0.10540303962569 0.02959550908544 0.87500000000000 18.998 > 65 68 F 0.60540303962569 0.02959550908544 0.87500000000000 18.998 > 65 69 F 0.39459696037431 0.02959550908544 0.37500000000000 18.998 > 69 70 F 0.89459696037431 0.02959550908544 0.37500000000000 18.998 > 69 71 F 0.39459696037431 0.02959550908544 0.87500000000000 18.998 > 69 72 F 0.89459696037431 0.02959550908544 0.87500000000000 18.998 > 69 73 F 0.10540303962569 0.97040449091456 0.12500000000000 18.998 > 73 74 F 0.60540303962569 0.97040449091456 0.12500000000000 18.998 > 73 75 F 0.10540303962569 0.97040449091456 0.62500000000000 18.998 > 73 76 F 0.60540303962569 0.97040449091456 0.62500000000000 18.998 > 73 77 F 0.39459696037431 0.97040449091456 0.12500000000000 18.998 > 77 78 F 0.89459696037431 0.97040449091456 0.12500000000000 18.998 > 77 79 F 0.39459696037431 0.97040449091456 0.62500000000000 18.998 > 77 80 F 0.89459696037431 0.97040449091456 0.62500000000000 18.998 > 77 81 F 0.35540303962569 0.52959550908544 0.37500000000000 18.998 > 65 82 F 0.85540303962569 0.52959550908544 0.37500000000000 18.998 > 65 83 F 0.35540303962569 0.52959550908544 0.87500000000000 18.998 > 65 84 F 0.85540303962569 0.52959550908544 0.87500000000000 18.998 > 65 85 F 0.14459696037431 0.52959550908544 0.37500000000000 18.998 > 69 86 F 0.64459696037431 0.52959550908544 0.37500000000000 18.998 > 69 87 F 0.14459696037431 0.52959550908544 0.87500000000000 18.998 > 69 88 F 0.64459696037431 0.52959550908544 0.87500000000000 18.998 > 69 89 F 0.35540303962569 0.47040449091456 0.12500000000000 18.998 > 73 90 F 0.85540303962569 0.47040449091456 0.12500000000000 18.998 > 73 91 F 0.35540303962569 0.47040449091456 0.62500000000000 18.998 > 73 92 F 0.85540303962569 0.47040449091456 0.62500000000000 18.998 > 73 93 F 0.14459696037431 0.47040449091456 0.12500000000000 18.998 > 77 94 F 0.64459696037431 0.47040449091456 0.12500000000000 18.998 > 77 95 F 0.14459696037431 0.47040449091456 0.62500000000000 18.998 > 77 96 F 0.64459696037431 0.47040449091456 0.62500000000000 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6081026 0.0000000 0.0000000 0.0000000 2.3019501 0.0000000 0.0000000 0.0000000 3.4984181 -------------------------- Born effective charges -------------------------- 1 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 -0.0281977 0.0000000 -0.2116153 1.0567393 2 Na 1.3460062 0.0000000 0.0000000 0.0000000 1.2885608 0.0281977 0.0000000 0.2116153 1.0567393 3 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 4 I 4.1566353 0.0000000 0.0000000 0.0000000 2.1073723 0.0000000 0.0000000 0.0000000 5.3811120 5 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 6 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 7 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 0.0117255 0.0000000 0.5777322 -2.5744197 8 O -0.6606721 0.0000000 0.0000000 0.0000000 -1.1233879 -0.0117255 0.0000000 -0.5777322 -2.5744197 9 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 10 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 11 F -2.0906486 -0.0576391 0.0000000 0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 12 F -2.0906486 0.0576391 0.0000000 -0.1507124 -0.5745787 0.0000000 0.0000000 0.0000000 -0.6445059 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (yyy) -0.00000011 (yyy) -0.00000011 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] 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: 0.73, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 9.039 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 22.787 ( 0.000 0.000 0.000) 0.000 23.428 ( 0.000 0.000 0.000) 0.000 24.484 ( 0.000 0.000 0.000) 0.000 24.850 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 15.317 -11.917 0.000) 19.407 0.504 ( 8.741 -27.611 0.000) 28.961 0.591 ( 33.711 -8.047 0.000) 34.658 1.405 ( 5.659 -5.138 0.000) 7.644 2.127 ( 3.500 5.480 0.000) 6.502 2.302 ( 2.488 -1.219 0.000) 2.770 2.764 ( 0.567 3.564 0.000) 3.609 2.809 ( 4.527 2.048 0.000) 4.969 3.461 ( -22.669 -3.535 0.000) 22.943 3.591 ( -4.003 1.719 0.000) 4.357 3.716 ( -0.703 -6.643 0.000) 6.680 4.390 ( 26.981 0.821 0.000) 26.994 5.141 ( 6.456 7.846 0.000) 10.161 5.234 ( -4.837 -0.232 0.000) 4.843 5.323 ( 0.442 0.409 0.000) 0.602 5.799 ( 10.635 15.921 0.000) 19.146 6.304 ( -8.528 -2.629 0.000) 8.924 6.345 ( -0.626 15.157 0.000) 15.170 6.792 ( -17.293 -15.353 0.000) 23.125 7.144 ( -3.099 0.946 0.000) 3.240 7.158 ( -7.065 -0.151 0.000) 7.067 8.087 ( 3.553 0.956 0.000) 3.680 8.327 ( 0.185 -7.586 0.000) 7.588 8.549 ( 2.946 -1.923 0.000) 3.518 9.044 ( 1.116 0.557 0.000) 1.247 9.139 ( -0.453 -0.010 0.000) 0.454 10.999 ( -22.120 -10.098 0.000) 24.316 11.612 ( 14.527 0.164 0.000) 14.528 11.718 ( 2.576 -0.547 0.000) 2.633 12.751 ( 2.438 -0.623 0.000) 2.516 13.151 ( -0.886 -0.128 0.000) 0.895 14.671 ( 115.982 120.284 0.000) 167.093 22.799 ( 0.725 -1.037 0.000) 1.265 23.433 ( 0.042 -0.725 0.000) 0.726 24.463 ( -1.318 1.600 0.000) 2.073 25.069 ( -15.358 -14.982 0.000) 21.456 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 15.046 -10.816 0.000) 18.530 0.987 ( 5.935 -27.570 0.000) 28.201 1.161 ( 32.801 -6.130 0.000) 33.369 1.594 ( 7.868 -7.456 0.000) 10.840 2.107 ( 5.036 6.647 0.000) 8.339 2.357 ( 1.756 -2.540 0.000) 3.088 2.705 ( 1.098 6.733 0.000) 6.822 2.855 ( 6.706 3.601 0.000) 7.611 3.072 ( -27.898 1.809 0.000) 27.957 3.610 ( 1.032 -2.655 0.000) 2.849 3.866 ( 0.627 -14.893 0.000) 14.906 4.759 ( 26.968 1.384 0.000) 27.004 5.121 ( 0.850 2.447 0.000) 2.591 5.141 ( -8.582 -0.354 0.000) 8.589 5.315 ( 0.069 1.572 0.000) 1.574 5.703 ( 2.201 11.200 0.000) 11.414 6.061 ( -0.884 23.928 0.000) 23.945 6.192 ( -9.831 -0.653 0.000) 9.853 6.749 ( -8.992 -6.099 0.000) 10.866 6.982 ( -13.766 1.207 0.000) 13.818 7.108 ( -2.537 0.830 0.000) 2.670 8.129 ( 4.151 1.077 0.000) 4.288 8.465 ( 1.143 -10.245 0.000) 10.308 8.631 ( 3.811 -2.564 0.000) 4.593 9.051 ( 1.827 1.565 0.000) 2.405 9.134 ( -1.129 -0.904 0.000) 1.446 10.849 ( -12.909 -4.813 0.000) 13.777 11.649 ( 1.450 4.478 0.000) 4.707 11.918 ( 16.330 -1.303 0.000) 16.382 12.819 ( 3.625 -3.059 0.000) 4.743 13.130 ( -1.905 0.335 0.000) 1.934 14.678 ( 52.247 53.324 0.000) 74.653 22.833 ( 1.252 -1.778 0.000) 2.175 23.447 ( 0.050 -1.170 0.000) 1.171 24.408 ( -2.207 2.686 0.000) 3.476 25.052 ( -7.079 -5.828 0.000) 9.170 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 15.215 -9.362 0.000) 17.865 1.403 ( 2.684 -24.029 0.000) 24.178 1.653 ( 25.939 -3.188 0.000) 26.134 1.803 ( 6.590 -7.473 0.000) 9.963 2.087 ( 5.271 5.898 0.000) 7.910 2.423 ( 1.709 -2.858 0.000) 3.330 2.620 ( 1.924 7.961 0.000) 8.191 2.633 ( -25.798 4.127 0.000) 26.126 2.917 ( 6.402 3.438 0.000) 7.267 3.674 ( 2.739 -2.603 0.000) 3.779 4.126 ( 0.497 -21.670 0.000) 21.676 4.996 ( -7.603 0.241 0.000) 7.607 5.105 ( -1.191 -0.788 0.000) 1.428 5.119 ( 22.012 1.618 0.000) 22.071 5.276 ( -0.883 3.184 0.000) 3.305 5.565 ( -1.040 10.024 0.000) 10.078 5.698 ( -0.494 26.938 0.000) 26.942 6.063 ( -8.789 -0.204 0.000) 8.791 6.713 ( -4.770 -2.971 0.000) 5.619 6.746 ( -16.470 1.494 0.000) 16.538 7.063 ( -2.012 0.966 0.000) 2.232 8.171 ( 3.310 0.601 0.000) 3.364 8.614 ( 1.372 -8.476 0.000) 8.587 8.714 ( 3.083 -2.152 0.000) 3.760 9.056 ( 2.648 2.260 0.000) 3.481 9.129 ( -2.237 -1.722 0.000) 2.823 10.769 ( -6.631 -3.470 0.000) 7.484 11.594 ( 0.160 4.768 0.000) 4.770 12.132 ( 12.447 0.253 0.000) 12.450 12.921 ( 3.305 -3.186 0.000) 4.591 13.098 ( -0.979 0.216 0.000) 1.002 14.696 ( 28.021 27.497 0.000) 39.259 22.878 ( 1.370 -1.929 0.000) 2.366 23.464 ( 0.028 -1.165 0.000) 1.165 24.336 ( -2.319 2.833 0.000) 3.661 25.031 ( -3.842 -2.524 0.000) 4.597 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 16.055 -7.748 0.000) 17.827 1.692 ( -0.101 -14.565 0.000) 14.565 1.894 ( 6.420 1.550 0.000) 6.604 1.966 ( 4.691 -5.042 0.000) 6.887 2.174 ( 11.222 -1.198 0.000) 11.286 2.224 ( -22.428 5.288 0.000) 23.043 2.416 ( -0.567 5.858 0.000) 5.885 2.600 ( 3.197 0.098 0.000) 3.199 2.954 ( 3.985 2.239 0.000) 4.572 3.748 ( 3.073 -1.660 0.000) 3.493 4.458 ( 0.460 -25.794 0.000) 25.799 4.873 ( -7.501 -0.114 0.000) 7.502 5.113 ( -1.737 -3.211 0.000) 3.650 5.219 ( -0.137 3.121 0.000) 3.124 5.225 ( 3.961 25.113 0.000) 25.424 5.415 ( -2.162 7.946 0.000) 8.235 5.492 ( 14.169 4.227 0.000) 14.786 5.964 ( -5.087 -0.065 0.000) 5.087 6.499 ( -14.618 1.189 0.000) 14.666 6.696 ( -1.876 -1.385 0.000) 2.331 7.030 ( -1.054 0.593 0.000) 1.209 8.202 ( 1.802 0.236 0.000) 1.818 8.722 ( 0.906 -4.709 0.000) 4.795 8.771 ( 1.617 -1.113 0.000) 1.963 9.068 ( 3.397 2.294 0.000) 4.099 9.115 ( -3.264 -2.010 0.000) 3.833 10.746 ( -2.450 -2.197 0.000) 3.290 11.535 ( -0.296 3.333 0.000) 3.346 12.261 ( 6.488 0.407 0.000) 6.501 12.953 ( -1.324 -0.168 0.000) 1.334 13.129 ( 2.908 -1.577 0.000) 3.308 14.717 ( 12.740 11.980 0.000) 17.488 22.918 ( 0.920 -1.286 0.000) 1.581 23.478 ( 0.006 -0.717 0.000) 0.717 24.275 ( -1.504 1.843 0.000) 2.379 25.014 ( -1.745 -0.935 0.000) 1.980 ======================= Grid point 5 (6/124) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.000 -0.000 0.000) 0.000 1.781 ( 0.000 -0.000 0.000) 0.000 1.922 ( 0.000 -0.000 0.000) 0.000 1.933 ( 0.000 -0.000 0.000) 0.000 2.049 ( 0.000 -0.000 0.000) 0.000 2.297 ( 0.000 -0.000 0.000) 0.000 2.331 ( 0.000 -0.000 0.000) 0.000 2.633 ( 0.000 -0.000 0.000) 0.000 2.967 ( 0.000 -0.000 0.000) 0.000 3.785 ( 0.000 -0.000 0.000) 0.000 4.777 ( 0.000 -0.000 0.000) 0.000 4.815 ( 0.000 -0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 -0.000 0.000) 0.000 5.327 ( 0.000 -0.000 0.000) 0.000 5.613 ( 0.000 -0.000 0.000) 0.000 5.927 ( 0.000 -0.000 0.000) 0.000 6.367 ( 0.000 -0.000 0.000) 0.000 6.693 ( 0.000 -0.000 0.000) 0.000 7.018 ( 0.000 -0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 -0.000 0.000) 0.000 8.789 ( 0.000 -0.000 0.000) 0.000 9.083 ( -0.000 -0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 -0.000 0.000) 0.000 11.508 ( 0.000 -0.000 0.000) 0.000 12.304 ( 0.000 -0.000 0.000) 0.000 12.938 ( 0.000 -0.000 0.000) 0.000 13.167 ( 0.000 -0.000 0.000) 0.000 14.726 ( 0.000 -0.000 0.000) 0.000 22.934 ( 0.000 -0.000 0.000) 0.000 23.483 ( 0.000 -0.000 0.000) 0.000 24.251 ( 0.000 -0.000 0.000) 0.000 25.008 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 12.607 -0.000 0.000) 12.607 0.579 ( 20.400 -0.000 0.000) 20.400 1.106 ( 36.636 -0.000 0.000) 36.636 1.482 ( 9.605 -0.000 0.000) 9.605 2.218 ( 3.381 -0.000 0.000) 3.381 2.317 ( 1.912 -0.000 0.000) 1.912 2.807 ( 1.468 -0.000 0.000) 1.468 2.905 ( 6.592 -0.000 0.000) 6.592 3.075 ( -27.679 0.000 0.000) 27.679 3.563 ( -1.250 0.000 0.000) 1.250 3.682 ( 2.019 -0.000 0.000) 2.019 4.780 ( 26.944 -0.000 0.000) 26.944 5.136 ( -8.603 0.000 0.000) 8.603 5.176 ( -3.800 0.000 0.000) 3.800 5.334 ( 0.613 -0.000 0.000) 0.613 6.060 ( -2.776 0.000 0.000) 2.776 6.086 ( -8.674 0.000 0.000) 8.674 6.429 ( -2.947 0.000 0.000) 2.947 6.555 ( -2.440 0.000 0.000) 2.440 7.006 ( -12.296 0.000 0.000) 12.296 7.112 ( -3.312 0.000 0.000) 3.312 8.160 ( 4.914 -0.000 0.000) 4.914 8.272 ( 0.362 -0.000 0.000) 0.362 8.595 ( 4.941 -0.000 0.000) 4.941 9.040 ( -0.444 0.000 0.000) 0.444 9.137 ( -0.236 0.000 0.000) 0.236 10.772 ( -8.303 0.000 0.000) 8.303 11.726 ( 0.807 -0.000 0.000) 0.807 11.895 ( 20.129 -0.000 0.000) 20.129 12.776 ( 2.962 -0.000 0.000) 2.962 13.110 ( -3.675 0.000 0.000) 3.675 16.051 ( -6.449 0.000 0.000) 6.449 22.808 ( 1.431 -0.000 0.000) 1.431 23.434 ( 0.453 -0.000 0.000) 0.453 24.446 ( -2.578 0.000 0.000) 2.578 24.855 ( 0.382 -0.000 0.000) 0.382 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 8.898 -22.815 0.000) 24.488 0.899 ( 19.561 -4.548 0.000) 20.082 1.594 ( 29.963 -0.998 0.000) 29.979 1.653 ( 10.911 -3.347 0.000) 11.413 2.231 ( 2.227 3.395 0.000) 4.060 2.357 ( 2.134 -1.331 0.000) 2.515 2.687 ( -26.700 0.248 0.000) 26.701 2.802 ( 1.573 3.987 0.000) 4.286 2.981 ( 4.648 1.179 0.000) 4.795 3.580 ( 0.394 -3.841 0.000) 3.862 3.755 ( 3.445 -4.814 0.000) 5.920 5.000 ( -9.817 0.071 0.000) 9.817 5.106 ( -4.802 0.480 0.000) 4.826 5.145 ( 24.685 0.465 0.000) 24.690 5.331 ( -0.525 0.934 0.000) 1.071 5.855 ( -4.350 10.184 0.000) 11.074 6.046 ( -7.341 -1.922 0.000) 7.588 6.271 ( -6.591 11.973 0.000) 13.667 6.581 ( -1.801 -5.331 0.000) 5.627 6.813 ( -12.007 3.218 0.000) 12.430 7.065 ( -3.760 -0.699 0.000) 3.824 8.199 ( 3.146 1.842 0.000) 3.645 8.356 ( 1.806 -8.448 0.000) 8.639 8.674 ( 5.134 -0.744 0.000) 5.188 9.038 ( -1.777 -1.734 0.000) 2.482 9.132 ( 0.455 0.813 0.000) 0.932 10.694 ( -4.580 -1.499 0.000) 4.819 11.718 ( 0.966 3.042 0.000) 3.191 12.143 ( 14.097 0.339 0.000) 14.101 12.848 ( 5.556 -1.637 0.000) 5.793 13.052 ( -6.109 -1.880 0.000) 6.392 15.689 ( 1.397 32.836 0.000) 32.865 22.838 ( 1.923 -0.853 0.000) 2.104 23.444 ( 0.713 -0.254 0.000) 0.756 24.394 ( -3.373 1.215 0.000) 3.585 24.903 ( -1.180 -5.208 0.000) 5.340 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 5.751 -23.395 0.000) 24.091 1.244 ( 19.162 -5.907 0.000) 20.051 1.827 ( 7.980 -3.338 0.000) 8.650 1.966 ( 18.467 0.662 0.000) 18.479 2.211 ( 3.214 3.049 0.000) 4.430 2.320 ( -23.341 1.560 0.000) 23.393 2.414 ( 2.103 -2.435 0.000) 3.218 2.746 ( 1.001 6.679 0.000) 6.754 2.997 ( -0.182 1.015 0.000) 1.031 3.675 ( 3.182 -5.525 0.000) 6.376 3.903 ( 1.978 -11.216 0.000) 11.389 4.871 ( -7.503 -0.049 0.000) 7.503 5.041 ( -5.155 -1.524 0.000) 5.375 5.286 ( -2.890 1.885 0.000) 3.450 5.457 ( 20.067 1.140 0.000) 20.100 5.670 ( -3.363 9.012 0.000) 9.619 5.957 ( -8.428 17.380 0.000) 19.316 5.972 ( -3.703 0.430 0.000) 3.727 6.589 ( -9.733 6.252 0.000) 11.568 6.625 ( -0.561 -3.560 0.000) 3.604 7.026 ( -3.178 -0.900 0.000) 3.303 8.214 ( 1.545 0.855 0.000) 1.766 8.510 ( 1.686 -9.723 0.000) 9.868 8.750 ( 4.132 -0.428 0.000) 4.154 9.031 ( -3.581 -2.671 0.000) 4.468 9.132 ( 1.781 1.337 0.000) 2.227 10.678 ( -1.403 -2.117 0.000) 2.540 11.672 ( 0.731 5.291 0.000) 5.342 12.275 ( 5.842 0.544 0.000) 5.868 12.923 ( -1.345 -1.071 0.000) 1.720 13.034 ( 0.400 -4.556 0.000) 4.574 15.305 ( 1.549 26.613 0.000) 26.658 22.881 ( 2.009 -1.207 0.000) 2.344 23.460 ( 0.867 -0.429 0.000) 0.967 24.325 ( -3.396 1.594 0.000) 3.752 24.946 ( -1.192 -3.719 0.000) 3.906 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 3.061 -18.684 0.000) 18.933 1.593 ( 17.795 -5.565 0.000) 18.645 1.933 ( 3.094 0.025 0.000) 3.095 1.999 ( -16.298 2.670 0.000) 16.515 2.076 ( 5.949 3.403 0.000) 6.854 2.268 ( 2.836 -0.240 0.000) 2.846 2.457 ( 0.524 0.654 0.000) 0.837 2.666 ( 0.211 5.059 0.000) 5.063 2.955 ( -5.193 -0.702 0.000) 5.241 3.780 ( 3.422 -1.487 0.000) 3.732 4.122 ( -1.582 -20.888 0.000) 20.948 4.814 ( -0.088 -0.119 0.000) 0.148 5.010 ( -4.866 -4.464 0.000) 6.604 5.218 ( -3.285 0.800 0.000) 3.381 5.514 ( -1.239 9.035 0.000) 9.120 5.578 ( -11.416 14.544 0.000) 18.489 5.634 ( 9.198 8.755 0.000) 12.699 5.943 ( 1.190 1.023 0.000) 1.569 6.425 ( 0.497 5.077 0.000) 5.101 6.664 ( 0.754 -1.998 0.000) 2.135 7.002 ( -2.223 -1.183 0.000) 2.518 8.216 ( -0.209 0.309 0.000) 0.373 8.650 ( 0.932 -7.665 0.000) 7.721 8.797 ( 2.595 0.484 0.000) 2.640 9.009 ( -4.956 -3.120 0.000) 5.856 9.146 ( 2.684 1.424 0.000) 3.039 10.706 ( 0.800 -2.286 0.000) 2.422 11.604 ( 0.844 5.899 0.000) 5.959 12.305 ( -0.830 0.006 0.000) 0.831 12.887 ( -5.384 -3.284 0.000) 6.307 13.120 ( 2.140 -2.558 0.000) 3.335 14.994 ( -4.043 17.226 0.000) 17.694 22.921 ( 1.549 -0.801 0.000) 1.744 23.478 ( 0.932 -0.264 0.000) 0.968 24.264 ( -2.537 0.871 0.000) 2.682 24.975 ( -0.334 -2.282 0.000) 2.307 ======================= Grid point 16 (11/124) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -12.308 5.260 0.000) 13.385 1.696 ( 0.008 -9.867 0.000) 9.867 1.943 ( 0.633 1.959 0.000) 2.059 2.061 ( 20.512 -6.042 0.000) 21.383 2.082 ( -2.841 2.057 0.000) 3.507 2.242 ( -4.052 -0.599 0.000) 4.096 2.370 ( -3.002 8.169 0.000) 8.703 2.634 ( -0.550 1.013 0.000) 1.153 2.879 ( -8.748 -3.017 0.000) 9.253 3.796 ( -0.426 1.729 0.000) 1.781 4.422 ( -2.548 -26.638 0.000) 26.760 4.872 ( 7.145 -0.223 0.000) 7.149 5.030 ( -3.521 -7.401 0.000) 8.195 5.181 ( -2.688 -0.787 0.000) 2.801 5.201 ( -6.922 19.371 0.000) 20.571 5.404 ( 1.674 6.603 0.000) 6.812 5.503 ( -11.571 7.232 0.000) 13.645 5.981 ( 6.142 1.113 0.000) 6.242 6.500 ( 14.220 1.329 0.000) 14.282 6.701 ( 1.876 -0.849 0.000) 2.060 6.998 ( -1.075 -1.676 0.000) 1.991 8.198 ( -2.085 -0.012 0.000) 2.085 8.736 ( 0.098 -3.783 0.000) 3.784 8.808 ( 0.949 1.645 0.000) 1.899 8.981 ( -5.358 -3.590 0.000) 6.449 9.164 ( 2.263 1.299 0.000) 2.610 10.757 ( 2.706 -1.515 0.000) 3.101 11.549 ( 1.757 4.384 0.000) 4.723 12.255 ( -6.157 -0.072 0.000) 6.158 12.883 ( -3.513 -5.265 0.000) 6.329 13.137 ( -2.408 -0.044 0.000) 2.408 14.705 ( -12.245 8.986 0.000) 15.188 22.941 ( 0.643 0.326 0.000) 0.721 23.491 ( 0.911 0.249 0.000) 0.945 24.237 ( -1.047 -0.795 0.000) 1.315 25.003 ( 0.806 -1.482 0.000) 1.687 ======================= Grid point 17 (12/124) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -11.531 8.525 0.000) 14.340 1.702 ( -17.961 0.880 0.000) 17.982 1.804 ( -6.012 2.875 0.000) 6.664 2.004 ( -2.666 1.217 0.000) 2.931 2.124 ( -2.273 14.572 0.000) 14.749 2.322 ( -0.339 -7.265 0.000) 7.273 2.479 ( 24.727 -6.582 0.000) 25.588 2.581 ( -2.799 3.239 0.000) 4.281 2.801 ( -9.284 -4.887 0.000) 10.492 3.744 ( -2.018 2.658 0.000) 3.337 4.668 ( -6.613 -4.616 0.000) 8.064 4.912 ( -0.138 -1.549 0.000) 1.555 5.031 ( 9.656 1.092 0.000) 9.717 5.109 ( -0.971 -7.512 0.000) 7.574 5.143 ( -3.547 -1.201 0.000) 3.745 5.192 ( -19.302 2.146 0.000) 19.421 5.398 ( 3.132 -0.075 0.000) 3.133 6.080 ( 9.692 1.126 0.000) 9.757 6.721 ( 16.220 -0.491 0.000) 16.228 6.744 ( 3.381 -0.229 0.000) 3.388 7.019 ( 0.453 -2.090 0.000) 2.138 8.159 ( -3.744 -0.309 0.000) 3.756 8.752 ( -0.566 1.127 0.000) 1.261 8.781 ( -0.512 2.580 0.000) 2.630 8.960 ( -5.104 -4.227 0.000) 6.627 9.170 ( 0.813 1.005 0.000) 1.293 10.828 ( 6.160 -0.129 0.000) 6.162 11.539 ( 2.580 1.805 0.000) 3.148 12.138 ( -9.643 0.691 0.000) 9.667 12.922 ( -2.627 -6.288 0.000) 6.815 13.062 ( -6.282 1.487 0.000) 6.455 14.389 ( -22.232 2.188 0.000) 22.339 22.930 ( -0.257 1.630 0.000) 1.650 23.495 ( 0.786 0.945 0.000) 1.229 24.257 ( 0.402 -2.656 0.000) 2.686 25.041 ( 2.141 -1.161 0.000) 2.436 ======================= Grid point 18 (13/124) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -9.505 11.528 0.000) 14.941 1.239 ( -34.466 4.746 0.000) 34.792 1.712 ( -0.267 11.733 0.000) 11.736 1.852 ( -5.776 13.983 0.000) 15.129 1.955 ( -2.826 0.425 0.000) 2.857 2.431 ( 0.697 -2.896 0.000) 2.979 2.502 ( -2.740 -2.170 0.000) 3.495 2.719 ( -7.561 -6.117 0.000) 9.725 2.961 ( 26.186 -5.668 0.000) 26.792 3.682 ( -1.409 2.599 0.000) 2.957 4.416 ( -4.061 18.727 0.000) 19.162 4.747 ( -22.031 4.673 0.000) 22.521 5.087 ( -3.781 -0.378 0.000) 3.800 5.150 ( 8.469 -0.402 0.000) 8.479 5.222 ( 0.156 -6.795 0.000) 6.797 5.301 ( -1.245 -28.576 0.000) 28.604 5.468 ( 1.281 -5.099 0.000) 5.257 6.210 ( 10.203 1.047 0.000) 10.256 6.810 ( 5.563 -0.393 0.000) 5.577 6.942 ( 11.749 -1.998 0.000) 11.918 7.069 ( 3.340 -1.627 0.000) 3.715 8.105 ( -4.598 -0.688 0.000) 4.649 8.695 ( -0.762 5.448 0.000) 5.501 8.724 ( -1.563 3.858 0.000) 4.163 8.952 ( -4.718 -4.817 0.000) 6.742 9.160 ( -0.545 0.526 0.000) 0.758 10.950 ( 12.504 0.848 0.000) 12.533 11.564 ( 2.043 -0.100 0.000) 2.045 11.971 ( -10.136 2.754 0.000) 10.504 12.927 ( -3.952 4.456 0.000) 5.955 12.971 ( -10.030 -10.367 0.000) 14.425 14.002 ( -33.088 -2.174 0.000) 33.160 22.894 ( -0.685 2.444 0.000) 2.538 23.488 ( 0.562 1.547 0.000) 1.646 24.314 ( 1.138 -3.836 0.000) 4.001 25.097 ( 3.673 -1.109 0.000) 3.837 ======================= Grid point 19 (14/124) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -36.500 4.786 0.000) 36.812 0.776 ( -6.848 14.746 0.000) 16.258 1.415 ( 0.217 29.527 0.000) 29.527 1.626 ( -4.629 9.197 0.000) 10.296 1.945 ( -3.791 -5.862 0.000) 6.981 2.377 ( -1.391 4.087 0.000) 4.317 2.601 ( 0.589 -8.272 0.000) 8.293 2.703 ( -5.008 -5.551 0.000) 7.476 3.414 ( 25.685 -5.039 0.000) 26.175 3.640 ( 0.708 2.283 0.000) 2.390 4.115 ( -0.494 20.486 0.000) 20.492 4.361 ( -25.972 0.679 0.000) 25.981 5.034 ( -5.342 -1.059 0.000) 5.446 5.245 ( 4.991 0.527 0.000) 5.019 5.289 ( 0.161 -2.784 0.000) 2.789 5.557 ( -0.771 -6.726 0.000) 6.770 5.696 ( -0.220 -29.374 0.000) 29.374 6.324 ( 6.916 0.589 0.000) 6.941 6.915 ( 7.499 -1.442 0.000) 7.636 7.080 ( 2.558 -3.649 0.000) 4.456 7.161 ( 7.118 0.051 0.000) 7.118 8.056 ( -3.565 -1.097 0.000) 3.731 8.588 ( -0.314 8.948 0.000) 8.953 8.640 ( -1.778 4.418 0.000) 4.763 8.955 ( -4.227 -4.900 0.000) 6.471 9.147 ( -0.610 0.018 0.000) 0.611 11.178 ( 21.634 0.122 0.000) 21.634 11.572 ( -2.937 -0.395 0.000) 2.963 11.821 ( 1.187 6.566 0.000) 6.673 12.760 ( -22.719 -3.153 0.000) 22.937 12.927 ( -16.325 -8.510 0.000) 18.410 13.528 ( -29.939 2.529 0.000) 30.046 22.850 ( -0.543 2.517 0.000) 2.574 23.471 ( 0.290 1.776 0.000) 1.800 24.384 ( 0.943 -3.941 0.000) 4.052 25.176 ( 4.866 -1.500 0.000) 5.092 ======================= Grid point 20 (15/124) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( -0.000 7.804 0.000) 7.804 0.498 ( -0.000 17.482 0.000) 17.482 0.976 ( -0.000 34.097 0.000) 34.097 1.464 ( -0.000 8.963 0.000) 8.963 2.008 ( 0.000 -7.174 0.000) 7.174 2.310 ( -0.000 3.812 0.000) 3.812 2.704 ( 0.000 -5.801 0.000) 5.801 2.733 ( 0.000 -4.073 0.000) 4.073 3.596 ( -0.000 0.925 0.000) 0.925 3.778 ( 0.000 -3.589 0.000) 3.589 3.840 ( -0.000 17.374 0.000) 17.374 4.095 ( 0.000 -0.835 0.000) 0.835 4.977 ( -0.000 0.684 0.000) 0.684 5.274 ( -0.000 0.464 0.000) 0.464 5.312 ( 0.000 -0.873 0.000) 0.873 5.620 ( 0.000 -4.241 0.000) 4.241 6.069 ( 0.000 -24.915 0.000) 24.915 6.373 ( 0.000 -0.069 0.000) 0.069 7.033 ( 0.000 -3.780 0.000) 3.780 7.138 ( 0.000 -2.455 0.000) 2.455 7.218 ( -0.000 0.042 0.000) 0.042 8.045 ( 0.000 -1.193 0.000) 1.193 8.452 ( -0.000 10.228 0.000) 10.228 8.568 ( -0.000 3.767 0.000) 3.767 8.978 ( 0.000 -3.949 0.000) 3.949 9.144 ( 0.000 -0.045 0.000) 0.045 11.487 ( -0.000 2.853 0.000) 2.853 11.523 ( 0.000 -10.573 0.000) 10.573 12.005 ( -0.000 5.751 0.000) 5.751 12.116 ( -0.000 4.861 0.000) 4.861 12.837 ( -0.000 0.684 0.000) 0.684 13.258 ( -0.000 6.848 0.000) 6.848 22.815 ( -0.000 1.966 0.000) 1.966 23.450 ( -0.000 1.500 0.000) 1.500 24.440 ( 0.000 -3.074 0.000) 3.074 25.256 ( 0.000 -2.646 0.000) 2.646 ======================= Grid point 23 (16/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 12.663 -0.000 0.000) 12.663 1.158 ( 20.788 -0.000 0.000) 20.788 1.779 ( 10.341 -0.000 0.000) 10.341 1.967 ( 22.129 -0.000 0.000) 22.129 2.266 ( 0.099 -0.000 0.000) 0.099 2.331 ( -23.501 0.000 0.000) 23.501 2.378 ( 1.996 -0.000 0.000) 1.996 2.845 ( 0.538 -0.000 0.000) 0.538 3.012 ( -1.618 0.000 0.000) 1.618 3.543 ( -0.526 0.000 0.000) 0.526 3.805 ( 6.224 -0.000 0.000) 6.224 4.870 ( -7.561 0.000 0.000) 7.561 5.023 ( -6.750 0.000 0.000) 6.750 5.314 ( -3.285 0.000 0.000) 3.285 5.470 ( 19.701 -0.000 0.000) 19.701 5.821 ( -7.631 0.000 0.000) 7.631 5.975 ( -1.657 0.000 0.000) 1.657 6.176 ( -15.248 0.000 0.000) 15.248 6.557 ( 2.115 -0.000 0.000) 2.115 6.750 ( -2.880 0.000 0.000) 2.880 6.994 ( -4.822 0.000 0.000) 4.822 8.266 ( 1.985 -0.000 0.000) 1.985 8.303 ( 1.746 -0.000 0.000) 1.746 8.744 ( 5.110 -0.000 0.000) 5.110 8.989 ( -3.374 0.000 0.000) 3.374 9.151 ( 1.383 -0.000 0.000) 1.383 10.648 ( -1.033 0.000 0.000) 1.033 11.755 ( 1.242 -0.000 0.000) 1.242 12.283 ( 5.079 -0.000 0.000) 5.079 12.926 ( -9.117 0.000 0.000) 9.117 12.940 ( 8.459 -0.000 0.000) 8.459 15.762 ( -14.342 0.000 0.000) 14.342 22.863 ( 2.371 -0.000 0.000) 2.371 23.456 ( 1.121 -0.000 0.000) 1.121 24.349 ( -4.066 0.000 0.000) 4.066 24.875 ( 1.112 -0.000 0.000) 1.112 ======================= Grid point 24 (17/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 9.985 -13.868 0.000) 17.088 1.473 ( 20.938 -2.566 0.000) 21.095 1.920 ( 8.274 -0.482 0.000) 8.288 2.033 ( -18.116 0.112 0.000) 18.117 2.179 ( 7.556 2.525 0.000) 7.966 2.263 ( 1.488 -0.048 0.000) 1.489 2.412 ( 1.489 -1.555 0.000) 2.153 2.815 ( -1.175 3.559 0.000) 3.748 2.941 ( -8.076 -0.213 0.000) 8.079 3.589 ( 0.039 -7.479 0.000) 7.479 3.885 ( 3.278 -0.777 0.000) 3.369 4.811 ( -0.237 -0.076 0.000) 0.248 4.932 ( -7.083 -1.338 0.000) 7.208 5.239 ( -5.941 0.541 0.000) 5.965 5.613 ( -5.471 0.080 0.000) 5.471 5.713 ( -2.860 4.463 0.000) 5.301 5.970 ( 1.836 0.691 0.000) 1.961 5.989 ( 0.468 5.489 0.000) 5.509 6.605 ( 2.421 -1.675 0.000) 2.944 6.668 ( 1.613 10.044 0.000) 10.172 6.950 ( -4.126 -2.739 0.000) 4.953 8.245 ( 0.027 2.322 0.000) 2.322 8.407 ( 1.570 -8.340 0.000) 8.487 8.809 ( 4.136 0.285 0.000) 4.145 8.941 ( -4.955 -1.511 0.000) 5.181 9.171 ( 1.938 0.465 0.000) 1.993 10.656 ( 0.969 -1.019 0.000) 1.406 11.751 ( 1.752 3.590 0.000) 3.995 12.301 ( -2.098 -0.259 0.000) 2.114 12.804 ( -9.326 -2.020 0.000) 9.542 13.065 ( 6.601 -1.192 0.000) 6.708 15.446 ( -16.173 11.425 0.000) 19.801 22.901 ( 2.421 -0.480 0.000) 2.468 23.474 ( 1.384 -0.022 0.000) 1.384 24.286 ( -4.018 0.523 0.000) 4.052 24.908 ( 1.058 -1.907 0.000) 2.181 ======================= Grid point 25 (18/124) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.712 -16.042 0.000) 17.390 1.705 ( -3.520 0.635 0.000) 3.577 1.927 ( 13.211 -3.410 0.000) 13.644 1.993 ( 2.440 1.698 0.000) 2.973 2.154 ( -5.248 2.923 0.000) 6.007 2.255 ( -1.676 0.905 0.000) 1.905 2.464 ( 1.731 -1.432 0.000) 2.246 2.730 ( -1.332 5.482 0.000) 5.641 2.808 ( -12.222 -1.956 0.000) 12.377 3.736 ( 0.932 -11.699 0.000) 11.736 3.913 ( -2.180 -3.613 0.000) 4.220 4.868 ( 7.596 -0.096 0.000) 7.596 4.869 ( -6.485 -3.896 0.000) 7.565 5.159 ( -4.863 -0.576 0.000) 4.897 5.355 ( -24.396 0.212 0.000) 24.397 5.612 ( -0.555 6.966 0.000) 6.988 5.959 ( 6.802 15.045 0.000) 16.511 6.015 ( 6.354 1.148 0.000) 6.457 6.605 ( 9.242 7.283 0.000) 11.767 6.663 ( 2.445 -1.656 0.000) 2.953 6.942 ( -2.084 -2.481 0.000) 3.240 8.209 ( -2.028 1.070 0.000) 2.293 8.547 ( 0.944 -9.014 0.000) 9.064 8.849 ( 2.752 1.187 0.000) 2.997 8.891 ( -6.047 -2.675 0.000) 6.612 9.188 ( 1.325 0.587 0.000) 1.450 10.700 ( 2.211 -1.965 0.000) 2.958 11.714 ( 2.963 6.288 0.000) 6.951 12.247 ( -6.193 -0.718 0.000) 6.235 12.731 ( -7.351 -4.736 0.000) 8.745 13.136 ( 1.952 -0.078 0.000) 1.954 15.038 ( -18.061 12.389 0.000) 21.902 22.939 ( 1.958 -0.308 0.000) 1.982 23.494 ( 1.462 0.039 0.000) 1.463 24.229 ( -3.158 0.062 0.000) 3.159 24.950 ( 1.029 -2.062 0.000) 2.304 ======================= Grid point 26 (19/124) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -9.248 4.566 0.000) 10.313 1.564 ( 2.368 -11.028 0.000) 11.279 1.871 ( -23.154 2.985 0.000) 23.345 1.993 ( -2.834 -0.808 0.000) 2.947 2.255 ( 2.995 2.604 0.000) 3.969 2.305 ( 24.783 -5.783 0.000) 25.448 2.450 ( -0.373 5.733 0.000) 5.745 2.657 ( -0.209 3.433 0.000) 3.439 2.670 ( -12.477 -4.394 0.000) 13.228 3.808 ( -1.157 1.281 0.000) 1.726 4.051 ( -2.548 -21.887 0.000) 22.035 4.865 ( -4.636 -7.509 0.000) 8.824 4.961 ( -11.459 0.067 0.000) 11.459 5.039 ( -3.903 -1.112 0.000) 4.059 5.115 ( -4.099 -1.588 0.000) 4.396 5.517 ( 1.007 6.802 0.000) 6.876 5.726 ( 0.271 24.353 0.000) 24.354 6.116 ( 10.044 1.300 0.000) 10.128 6.719 ( 2.606 -1.377 0.000) 2.947 6.721 ( 11.958 0.585 0.000) 11.972 6.963 ( 1.593 -1.599 0.000) 2.257 8.158 ( -3.886 0.344 0.000) 3.902 8.666 ( 0.301 -6.795 0.000) 6.801 8.846 ( -6.328 -3.763 0.000) 7.362 8.853 ( 1.334 2.374 0.000) 2.723 9.188 ( -0.401 0.451 0.000) 0.603 10.772 ( 3.501 -2.914 0.000) 4.555 11.676 ( 4.760 7.003 0.000) 8.468 12.154 ( -7.292 0.006 0.000) 7.292 12.719 ( -5.925 -6.683 0.000) 8.931 13.121 ( -2.006 1.922 0.000) 2.778 14.605 ( -21.087 10.654 0.000) 23.625 22.960 ( 1.091 0.562 0.000) 1.227 23.512 ( 1.334 0.315 0.000) 1.371 24.202 ( -1.744 -1.320 0.000) 2.187 24.993 ( 1.257 -2.028 0.000) 2.386 ======================= Grid point 27 (20/124) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -6.607 7.903 0.000) 10.301 1.367 ( -33.675 4.429 0.000) 33.965 1.680 ( -5.079 -4.411 0.000) 6.727 2.032 ( 2.550 -2.494 0.000) 3.566 2.244 ( -1.212 0.191 0.000) 1.227 2.322 ( 1.279 12.356 0.000) 12.422 2.544 ( -8.875 -6.276 0.000) 10.870 2.602 ( -1.362 3.935 0.000) 4.164 2.792 ( 25.598 -6.410 0.000) 26.388 3.753 ( -2.093 2.544 0.000) 3.294 4.313 ( -8.461 -21.184 0.000) 22.811 4.697 ( -18.520 -8.871 0.000) 20.535 4.946 ( -2.137 -11.050 0.000) 11.254 5.071 ( -4.779 -1.118 0.000) 4.908 5.151 ( 8.684 1.613 0.000) 8.832 5.356 ( -1.271 26.916 0.000) 26.946 5.467 ( 2.111 3.828 0.000) 4.371 6.248 ( 10.713 1.528 0.000) 10.821 6.777 ( 2.881 -1.600 0.000) 3.296 6.865 ( 4.546 -3.601 0.000) 5.800 7.045 ( 8.488 0.118 0.000) 8.489 8.093 ( -4.887 -0.155 0.000) 4.889 8.734 ( -0.129 -2.930 0.000) 2.932 8.818 ( -5.837 -4.725 0.000) 7.510 8.823 ( 0.166 3.578 0.000) 3.582 9.167 ( -1.868 0.120 0.000) 1.872 10.883 ( 5.358 -4.392 0.000) 6.928 11.661 ( 5.302 5.994 0.000) 8.003 12.052 ( -3.997 2.536 0.000) 4.734 12.718 ( -8.760 -7.078 0.000) 11.262 13.042 ( -3.082 3.749 0.000) 4.853 14.156 ( -22.697 9.510 0.000) 24.609 22.953 ( 0.240 1.730 0.000) 1.747 23.521 ( 0.999 0.828 0.000) 1.298 24.217 ( -0.401 -3.029 0.000) 3.055 25.043 ( 1.580 -2.377 0.000) 2.854 ======================= Grid point 28 (21/124) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -34.150 5.191 0.000) 34.543 1.136 ( -3.948 11.301 0.000) 11.971 1.655 ( -5.009 -3.829 0.000) 6.305 2.016 ( 1.995 9.787 0.000) 9.988 2.103 ( -0.959 16.913 0.000) 16.941 2.332 ( 0.752 -9.345 0.000) 9.375 2.515 ( -1.446 5.269 0.000) 5.464 2.524 ( -5.865 -7.260 0.000) 9.333 3.259 ( 26.564 -6.050 0.000) 27.244 3.689 ( -2.749 1.684 0.000) 3.224 4.212 ( -22.027 -5.257 0.000) 22.646 4.868 ( -2.344 -22.656 0.000) 22.777 4.923 ( -0.559 23.607 0.000) 23.613 5.019 ( -3.798 -0.578 0.000) 3.841 5.088 ( -0.504 -11.714 0.000) 11.725 5.265 ( 4.857 0.800 0.000) 4.923 5.463 ( 1.270 0.627 0.000) 1.416 6.357 ( 7.053 1.694 0.000) 7.254 6.846 ( 2.743 -2.768 0.000) 3.897 6.957 ( 0.758 -5.176 0.000) 5.231 7.167 ( 7.840 0.503 0.000) 7.856 8.033 ( -3.850 -0.586 0.000) 3.894 8.740 ( -0.142 1.666 0.000) 1.672 8.765 ( -0.500 4.449 0.000) 4.477 8.813 ( -4.243 -5.223 0.000) 6.729 9.141 ( -1.612 -0.278 0.000) 1.635 11.045 ( 6.139 -7.253 0.000) 9.502 11.645 ( 1.554 4.379 0.000) 4.646 12.011 ( 8.914 6.230 0.000) 10.875 12.603 ( -20.685 -3.831 0.000) 21.037 12.953 ( -1.521 4.028 0.000) 4.306 13.737 ( -16.012 9.838 0.000) 18.792 22.923 ( -0.156 2.594 0.000) 2.599 23.517 ( 0.510 1.411 0.000) 1.500 24.268 ( 0.246 -4.259 0.000) 4.266 25.103 ( 1.573 -3.142 0.000) 3.513 ======================= Grid point 29 (22/124) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -0.000 7.308 0.000) 7.308 0.932 ( -0.000 14.124 0.000) 14.124 1.656 ( 0.000 -0.337 0.000) 0.337 1.800 ( -0.000 25.376 0.000) 25.376 1.909 ( -0.000 5.506 0.000) 5.506 2.431 ( -0.000 5.138 0.000) 5.138 2.481 ( 0.000 -10.259 0.000) 10.259 2.580 ( 0.000 -6.932 0.000) 6.932 3.598 ( 0.000 -0.103 0.000) 0.103 3.646 ( 0.000 -5.744 0.000) 5.744 4.049 ( 0.000 -2.441 0.000) 2.441 4.502 ( -0.000 28.793 0.000) 28.793 4.991 ( -0.000 0.150 0.000) 0.150 5.223 ( 0.000 -7.682 0.000) 7.682 5.279 ( 0.000 -30.912 0.000) 30.912 5.290 ( -0.000 0.698 0.000) 0.698 5.487 ( 0.000 -3.108 0.000) 3.108 6.388 ( -0.000 1.290 0.000) 1.290 6.919 ( 0.000 -4.114 0.000) 4.114 7.032 ( 0.000 -4.978 0.000) 4.978 7.221 ( -0.000 0.254 0.000) 0.254 8.014 ( 0.000 -0.955 0.000) 0.955 8.689 ( -0.000 5.768 0.000) 5.768 8.693 ( -0.000 5.020 0.000) 5.020 8.850 ( 0.000 -5.138 0.000) 5.138 9.135 ( 0.000 -0.503 0.000) 0.503 11.226 ( 0.000 -10.544 0.000) 10.544 11.588 ( -0.000 4.250 0.000) 4.250 12.199 ( -0.000 1.063 0.000) 1.063 12.211 ( -0.000 8.825 0.000) 8.825 12.892 ( -0.000 3.284 0.000) 3.284 13.489 ( -0.000 9.576 0.000) 9.576 22.884 ( -0.000 2.846 0.000) 2.846 23.498 ( -0.000 1.794 0.000) 1.794 24.331 ( 0.000 -4.560 0.000) 4.560 25.165 ( 0.000 -3.743 0.000) 3.743 ======================= Grid point 34 (23/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 10.987 -0.000 0.000) 10.987 1.702 ( 3.908 -0.000 0.000) 3.908 1.880 ( 6.508 -0.000 0.000) 6.508 2.018 ( 4.302 -0.000 0.000) 4.302 2.201 ( -9.265 0.000 0.000) 9.265 2.270 ( 1.936 -0.000 0.000) 1.936 2.429 ( 2.647 -0.000 0.000) 2.647 2.781 ( -13.642 0.000 0.000) 13.642 2.815 ( -1.849 0.000 0.000) 1.849 3.531 ( -0.351 0.000 0.000) 0.351 3.905 ( -0.365 0.000 0.000) 0.365 4.818 ( -7.352 0.000 0.000) 7.352 4.867 ( 7.796 -0.000 0.000) 7.796 5.151 ( -6.253 0.000 0.000) 6.253 5.354 ( -25.563 0.000 0.000) 25.563 5.717 ( -1.086 0.000 0.000) 1.086 6.032 ( 6.079 -0.000 0.000) 6.079 6.145 ( 11.246 -0.000 0.000) 11.246 6.635 ( 3.083 -0.000 0.000) 3.083 6.822 ( 7.597 -0.000 0.000) 7.597 6.843 ( -5.817 0.000 0.000) 5.817 8.256 ( -2.794 0.000 0.000) 2.794 8.363 ( 2.322 -0.000 0.000) 2.322 8.852 ( -6.100 0.000 0.000) 6.100 8.866 ( 3.358 -0.000 0.000) 3.358 9.197 ( 1.036 -0.000 0.000) 1.036 10.671 ( 1.974 -0.000 0.000) 1.974 11.816 ( 3.795 -0.000 0.000) 3.795 12.229 ( -7.084 0.000 0.000) 7.084 12.662 ( -7.769 0.000 0.000) 7.769 13.134 ( 3.595 -0.000 0.000) 3.595 15.231 ( -23.034 0.000 0.000) 23.034 22.933 ( 2.442 -0.000 0.000) 2.442 23.495 ( 1.562 -0.000 0.000) 1.562 24.232 ( -3.946 0.000 0.000) 3.946 24.917 ( 1.707 -0.000 0.000) 1.707 ======================= Grid point 35 (24/124) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 9.148 -8.714 0.000) 12.634 1.607 ( -8.003 0.860 0.000) 8.049 1.939 ( -25.036 1.487 0.000) 25.080 2.006 ( -5.127 0.806 0.000) 5.190 2.188 ( 25.519 -2.415 0.000) 25.633 2.323 ( 6.278 1.599 0.000) 6.478 2.473 ( 1.991 -1.076 0.000) 2.263 2.581 ( -15.250 -1.790 0.000) 15.355 2.772 ( -1.244 2.981 0.000) 3.231 3.583 ( -0.504 -8.398 0.000) 8.413 3.879 ( -2.270 0.730 0.000) 2.385 4.734 ( -6.366 -2.264 0.000) 6.757 4.960 ( -25.756 -0.026 0.000) 25.756 5.012 ( 7.913 -0.634 0.000) 7.938 5.078 ( -4.814 -0.834 0.000) 4.885 5.678 ( -0.710 3.737 0.000) 3.803 6.140 ( 9.461 0.390 0.000) 9.469 6.215 ( 5.506 9.418 0.000) 10.909 6.685 ( 3.088 -0.788 0.000) 3.187 6.751 ( -1.869 1.142 0.000) 2.190 6.953 ( 9.579 0.836 0.000) 9.616 8.185 ( -4.394 1.630 0.000) 4.687 8.449 ( 1.479 -6.969 0.000) 7.124 8.772 ( -6.600 -1.502 0.000) 6.768 8.900 ( 2.250 0.918 0.000) 2.429 9.197 ( -0.843 0.170 0.000) 0.860 10.711 ( 2.391 -1.273 0.000) 2.709 11.853 ( 5.660 4.760 0.000) 7.396 12.124 ( -8.391 -1.793 0.000) 8.580 12.596 ( -3.829 -2.181 0.000) 4.406 13.156 ( -0.079 0.599 0.000) 0.604 14.846 ( -25.002 5.372 0.000) 25.572 22.966 ( 1.984 0.017 0.000) 1.984 23.516 ( 1.490 0.061 0.000) 1.491 24.182 ( -3.127 -0.289 0.000) 3.141 24.948 ( 1.569 -1.016 0.000) 1.870 ======================= Grid point 36 (25/124) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -18.193 -1.072 0.000) 18.225 1.490 ( -5.083 3.014 0.000) 5.910 1.508 ( -10.917 -5.592 0.000) 12.266 1.907 ( -7.484 -1.756 0.000) 7.687 2.366 ( 4.775 4.549 0.000) 6.595 2.404 ( -11.422 -3.624 0.000) 11.983 2.498 ( 0.849 1.040 0.000) 1.343 2.631 ( 26.595 -5.002 0.000) 27.062 2.708 ( -0.620 4.026 0.000) 4.074 3.729 ( -2.062 -13.716 0.000) 13.870 3.835 ( -2.374 -0.430 0.000) 2.413 4.575 ( -27.841 -2.527 0.000) 27.956 4.710 ( -4.205 -5.652 0.000) 7.045 5.031 ( -4.368 -1.483 0.000) 4.613 5.163 ( 10.033 0.149 0.000) 10.034 5.608 ( 0.040 5.273 0.000) 5.273 6.041 ( 0.383 20.444 0.000) 20.448 6.278 ( 10.229 0.463 0.000) 10.239 6.739 ( 2.745 -0.963 0.000) 2.909 6.758 ( -1.091 -4.041 0.000) 4.186 7.083 ( 11.823 2.586 0.000) 12.103 8.099 ( -5.329 0.673 0.000) 5.371 8.569 ( 0.662 -7.932 0.000) 7.960 8.711 ( -5.991 -2.868 0.000) 6.642 8.903 ( 1.149 2.137 0.000) 2.426 9.171 ( -2.277 0.163 0.000) 2.283 10.775 ( 2.625 -3.006 0.000) 3.991 11.832 ( 1.873 6.091 0.000) 6.373 12.072 ( -1.763 -1.484 0.000) 2.304 12.597 ( -1.060 -2.036 0.000) 2.296 13.121 ( -1.979 1.977 0.000) 2.797 14.406 ( -23.817 7.601 0.000) 25.001 22.984 ( 1.163 0.614 0.000) 1.315 23.534 ( 1.176 0.193 0.000) 1.192 24.157 ( -1.815 -1.369 0.000) 2.273 24.986 ( 1.217 -1.615 0.000) 2.022 ======================= Grid point 37 (26/124) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -32.787 4.013 0.000) 33.032 1.374 ( -2.648 6.063 0.000) 6.616 1.586 ( -2.097 -1.440 0.000) 2.544 1.936 ( -0.604 -11.499 0.000) 11.515 2.320 ( 1.017 8.204 0.000) 8.267 2.334 ( -7.007 -6.194 0.000) 9.352 2.462 ( 0.704 5.814 0.000) 5.857 2.647 ( -0.385 4.244 0.000) 4.262 3.098 ( 27.905 -5.560 0.000) 28.453 3.733 ( -6.713 0.560 0.000) 6.736 3.924 ( -8.635 -15.079 0.000) 17.376 4.320 ( -14.467 -10.085 0.000) 17.635 4.773 ( -1.685 -9.650 0.000) 9.796 4.993 ( -3.390 -1.245 0.000) 3.611 5.274 ( 5.962 0.588 0.000) 5.991 5.546 ( 0.683 4.580 0.000) 4.630 5.713 ( -0.740 26.442 0.000) 26.452 6.396 ( 6.915 0.786 0.000) 6.959 6.787 ( 1.739 -1.378 0.000) 2.219 6.810 ( -0.724 -5.446 0.000) 5.494 7.199 ( 8.344 2.099 0.000) 8.604 8.025 ( -4.165 -0.037 0.000) 4.165 8.672 ( 0.142 -6.038 0.000) 6.039 8.686 ( -3.916 -3.902 0.000) 5.528 8.875 ( 0.315 3.380 0.000) 3.395 9.138 ( -1.906 0.032 0.000) 1.906 10.867 ( 2.283 -5.304 0.000) 5.774 11.763 ( -1.117 3.981 0.000) 4.134 12.105 ( 5.191 0.452 0.000) 5.211 12.582 ( -3.074 1.780 0.000) 3.552 13.057 ( -1.597 3.246 0.000) 3.618 14.000 ( -16.314 8.771 0.000) 18.523 22.981 ( 0.368 1.522 0.000) 1.566 23.542 ( 0.643 0.506 0.000) 0.818 24.169 ( -0.584 -2.790 0.000) 2.850 25.026 ( 0.770 -2.303 0.000) 2.428 ======================= Grid point 38 (27/124) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -0.000 5.655 0.000) 5.655 1.251 ( -0.000 9.133 0.000) 9.133 1.576 ( 0.000 -1.839 0.000) 1.839 2.111 ( 0.000 -11.244 0.000) 11.244 2.187 ( -0.000 11.033 0.000) 11.033 2.358 ( -0.000 9.828 0.000) 9.828 2.378 ( 0.000 -7.411 0.000) 7.411 2.578 ( -0.000 5.239 0.000) 5.239 3.485 ( 0.000 -5.753 0.000) 5.753 3.597 ( 0.000 -0.404 0.000) 0.404 3.942 ( 0.000 -5.940 0.000) 5.940 4.494 ( 0.000 -24.076 0.000) 24.076 4.915 ( 0.000 -12.324 0.000) 12.324 4.981 ( 0.000 -0.854 0.000) 0.854 5.309 ( -0.000 0.668 0.000) 0.668 5.321 ( -0.000 29.636 0.000) 29.636 5.500 ( -0.000 3.075 0.000) 3.075 6.432 ( -0.000 1.498 0.000) 1.498 6.826 ( 0.000 -2.498 0.000) 2.498 6.883 ( 0.000 -5.776 0.000) 5.776 7.239 ( -0.000 1.250 0.000) 1.250 7.996 ( 0.000 -0.391 0.000) 0.391 8.714 ( 0.000 -4.594 0.000) 4.594 8.732 ( 0.000 -2.590 0.000) 2.590 8.824 ( -0.000 4.341 0.000) 4.341 9.124 ( 0.000 -0.204 0.000) 0.204 10.975 ( 0.000 -7.646 0.000) 7.646 11.702 ( -0.000 3.848 0.000) 3.848 12.183 ( 0.000 -1.818 0.000) 1.818 12.453 ( -0.000 8.415 0.000) 8.415 12.996 ( -0.000 3.905 0.000) 3.905 13.755 ( -0.000 9.488 0.000) 9.488 22.956 ( -0.000 2.278 0.000) 2.278 23.537 ( -0.000 0.978 0.000) 0.978 24.212 ( 0.000 -3.894 0.000) 3.894 25.069 ( 0.000 -3.075 0.000) 3.075 ======================= Grid point 45 (28/124) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 9.431 -0.000 0.000) 9.431 1.514 ( -34.755 0.000 0.000) 34.755 1.525 ( -4.520 0.000 0.000) 4.520 1.900 ( -10.109 0.000 0.000) 10.109 2.355 ( -13.895 0.000 0.000) 13.895 2.433 ( 6.514 -0.000 0.000) 6.514 2.491 ( 1.602 -0.000 0.000) 1.602 2.554 ( 28.149 -0.000 0.000) 28.149 2.770 ( -1.687 0.000 0.000) 1.687 3.514 ( -1.302 0.000 0.000) 1.302 3.854 ( -1.949 0.000 0.000) 1.949 4.539 ( -29.607 0.000 0.000) 29.607 4.637 ( -4.927 0.000 0.000) 4.927 5.008 ( -4.141 0.000 0.000) 4.141 5.165 ( 10.342 -0.000 0.000) 10.342 5.691 ( -0.928 0.000 0.000) 0.928 6.280 ( 9.529 -0.000 0.000) 9.529 6.352 ( 3.544 -0.000 0.000) 3.544 6.678 ( -5.305 0.000 0.000) 5.305 6.727 ( 3.369 -0.000 0.000) 3.369 7.139 ( 12.604 -0.000 0.000) 12.604 8.119 ( -6.328 0.000 0.000) 6.328 8.423 ( 1.715 -0.000 0.000) 1.715 8.671 ( -5.946 0.000 0.000) 5.946 8.933 ( 1.454 -0.000 0.000) 1.454 9.174 ( -2.340 0.000 0.000) 2.340 10.733 ( 2.040 -0.000 0.000) 2.040 11.972 ( -9.342 0.000 0.000) 9.342 11.989 ( 7.138 -0.000 0.000) 7.138 12.577 ( 2.870 -0.000 0.000) 2.870 13.148 ( -1.482 0.000 0.000) 1.482 14.517 ( -25.300 0.000 0.000) 25.300 22.992 ( 1.545 -0.000 0.000) 1.545 23.536 ( 1.178 -0.000 0.000) 1.178 24.140 ( -2.384 0.000 0.000) 2.384 24.963 ( 1.353 -0.000 0.000) 1.353 ======================= Grid point 46 (29/124) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -32.050 1.586 0.000) 32.089 1.471 ( -2.013 1.432 0.000) 2.470 1.488 ( 8.311 -4.971 0.000) 9.684 1.752 ( -10.574 -1.389 0.000) 10.665 2.212 ( -8.051 -2.432 0.000) 8.411 2.483 ( 3.390 3.228 0.000) 4.681 2.513 ( 0.805 -0.207 0.000) 0.832 2.735 ( -1.126 1.815 0.000) 2.136 2.975 ( 28.032 -2.889 0.000) 28.180 3.524 ( -6.352 -7.233 0.000) 9.626 3.822 ( -1.438 1.295 0.000) 1.935 4.169 ( -22.646 -2.676 0.000) 22.804 4.602 ( -2.520 -2.970 0.000) 3.895 4.963 ( -2.825 -0.710 0.000) 2.913 5.284 ( 6.155 0.178 0.000) 6.157 5.660 ( -0.375 2.800 0.000) 2.825 6.281 ( 0.409 13.682 0.000) 13.688 6.396 ( 6.018 -0.398 0.000) 6.031 6.662 ( -2.263 -5.242 0.000) 5.710 6.771 ( 2.454 -0.048 0.000) 2.454 7.276 ( 8.838 2.703 0.000) 9.242 8.030 ( -5.029 0.300 0.000) 5.038 8.483 ( 0.742 -5.615 0.000) 5.664 8.611 ( -3.701 -1.451 0.000) 3.976 8.939 ( 0.640 1.231 0.000) 1.387 9.140 ( -1.931 0.102 0.000) 1.934 10.769 ( 1.361 -1.801 0.000) 2.258 11.847 ( -5.005 1.879 0.000) 5.346 12.079 ( 3.458 -1.233 0.000) 3.672 12.642 ( 5.810 1.599 0.000) 6.026 13.119 ( -1.332 1.163 0.000) 1.768 14.176 ( -17.767 3.554 0.000) 18.119 23.006 ( 0.761 0.409 0.000) 0.864 23.549 ( 0.656 0.056 0.000) 0.658 24.120 ( -1.164 -0.875 0.000) 1.456 24.983 ( 0.738 -0.813 0.000) 1.098 ======================= Grid point 47 (30/124) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.000 3.397 0.000) 3.397 1.423 ( -0.000 3.640 0.000) 3.640 1.583 ( -0.000 1.618 0.000) 1.618 1.755 ( 0.000 -12.179 0.000) 12.179 2.204 ( 0.000 -4.867 0.000) 4.867 2.437 ( -0.000 6.750 0.000) 6.750 2.512 ( -0.000 1.463 0.000) 1.463 2.695 ( -0.000 3.061 0.000) 3.061 3.353 ( 0.000 -3.596 0.000) 3.596 3.474 ( 0.000 -9.490 0.000) 9.490 3.799 ( 0.000 -0.928 0.000) 0.928 4.076 ( 0.000 -7.998 0.000) 7.998 4.649 ( 0.000 -6.494 0.000) 6.494 4.953 ( 0.000 -0.991 0.000) 0.991 5.325 ( -0.000 0.408 0.000) 0.408 5.610 ( -0.000 4.177 0.000) 4.177 6.037 ( -0.000 21.534 0.000) 21.534 6.447 ( 0.000 -0.394 0.000) 0.394 6.726 ( 0.000 -5.808 0.000) 5.808 6.790 ( 0.000 -0.253 0.000) 0.253 7.300 ( -0.000 3.207 0.000) 3.207 7.990 ( 0.000 -0.080 0.000) 0.080 8.580 ( 0.000 -7.330 0.000) 7.330 8.612 ( 0.000 -2.714 0.000) 2.714 8.918 ( -0.000 2.467 0.000) 2.467 9.124 ( -0.000 0.123 0.000) 0.123 10.818 ( 0.000 -3.828 0.000) 3.828 11.786 ( -0.000 2.193 0.000) 2.193 12.126 ( 0.000 -1.947 0.000) 1.947 12.642 ( -0.000 5.063 0.000) 5.063 13.084 ( -0.000 2.340 0.000) 2.340 13.975 ( -0.000 6.127 0.000) 6.127 23.001 ( -0.000 1.020 0.000) 1.020 23.552 ( -0.000 0.206 0.000) 0.206 24.131 ( 0.000 -1.969 0.000) 1.969 25.005 ( 0.000 -1.595 0.000) 1.595 ======================= Grid point 57 (31/124) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 -0.000 0.000) 0.000 1.467 ( 0.000 -0.000 0.000) 0.000 1.564 ( 0.000 -0.000 0.000) 0.000 1.614 ( 0.000 -0.000 0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.517 ( 0.000 -0.000 0.000) 0.000 2.532 ( 0.000 -0.000 0.000) 0.000 2.737 ( 0.000 -0.000 0.000) 0.000 3.303 ( 0.000 -0.000 0.000) 0.000 3.307 ( 0.000 -0.000 0.000) 0.000 3.825 ( -0.000 0.000 0.000) 0.000 3.959 ( 0.000 -0.000 0.000) 0.000 4.564 ( 0.000 -0.000 0.000) 0.000 4.938 ( 0.000 -0.000 0.000) 0.000 5.330 ( 0.000 -0.000 0.000) 0.000 5.676 ( 0.000 -0.000 0.000) 0.000 6.395 ( -0.000 0.000 0.000) 0.000 6.435 ( 0.000 -0.000 0.000) 0.000 6.591 ( 0.000 -0.000 0.000) 0.000 6.792 ( 0.000 -0.000 0.000) 0.000 7.365 ( 0.000 -0.000 0.000) 0.000 7.989 ( 0.000 -0.000 0.000) 0.000 8.449 ( 0.000 -0.000 0.000) 0.000 8.574 ( 0.000 -0.000 0.000) 0.000 8.953 ( 0.000 -0.000 0.000) 0.000 9.127 ( 0.000 -0.000 0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 11.816 ( 0.000 -0.000 0.000) 0.000 12.097 ( 0.000 -0.000 0.000) 0.000 12.713 ( 0.000 -0.000 0.000) 0.000 13.117 ( 0.000 -0.000 0.000) 0.000 14.062 ( 0.000 -0.000 0.000) 0.000 23.014 ( 0.000 -0.000 0.000) 0.000 23.554 ( 0.000 -0.000 0.000) 0.000 24.105 ( 0.000 -0.000 0.000) 0.000 24.983 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/124) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 0.000 18.968) 18.968 0.405 ( 0.000 0.000 20.088) 20.088 0.853 ( 0.000 0.000 42.021) 42.021 1.372 ( 0.000 0.000 4.468) 4.468 2.062 ( 0.000 0.000 -7.759) 7.759 2.194 ( 0.000 0.000 -3.530) 3.530 2.636 ( 0.000 0.000 -13.988) 13.988 2.864 ( 0.000 0.000 6.737) 6.737 3.597 ( 0.000 0.000 -6.543) 6.543 3.774 ( 0.000 0.000 -5.206) 5.206 4.199 ( 0.000 0.000 12.717) 12.717 4.993 ( 0.000 0.000 2.578) 2.578 5.050 ( 0.000 0.000 2.783) 2.783 5.221 ( 0.000 0.000 -0.950) 0.950 5.260 ( 0.000 0.000 -0.777) 0.777 5.401 ( 0.000 0.000 8.095) 8.095 6.040 ( 0.000 0.000 -5.788) 5.788 6.521 ( 0.000 0.000 -8.808) 8.808 6.692 ( 0.000 0.000 3.125) 3.125 7.176 ( 0.000 0.000 0.586) 0.586 8.083 ( 0.000 0.000 1.831) 1.831 8.304 ( 0.000 0.000 3.103) 3.103 8.485 ( 0.000 0.000 -2.664) 2.664 8.772 ( 0.000 0.000 -1.742) 1.742 9.048 ( 0.000 0.000 0.838) 0.838 9.138 ( 0.000 0.000 -0.275) 0.275 11.058 ( 0.000 0.000 3.650) 3.650 11.470 ( 0.000 0.000 2.281) 2.281 11.687 ( 0.000 0.000 -2.697) 2.697 11.899 ( 0.000 0.000 -2.387) 2.387 12.753 ( 0.000 0.000 1.466) 1.466 13.128 ( 0.000 0.000 -2.629) 2.629 23.464 ( 0.000 0.000 3.615) 3.615 24.378 ( 0.000 0.000 -9.006) 9.006 24.924 ( 0.000 0.000 5.860) 5.860 25.301 ( 0.000 0.000 -0.949) 0.949 ======================= Grid point 104 (33/124) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 5.922 -14.283 12.145) 19.661 0.649 ( 19.881 -8.807 12.324) 24.994 1.024 ( 12.979 -9.029 34.374) 37.836 1.447 ( 5.180 -4.978 3.977) 8.212 2.056 ( 4.471 4.897 -6.547) 9.318 2.236 ( 2.317 -2.546 -4.450) 5.626 2.603 ( -2.066 1.516 -13.535) 13.775 2.879 ( 3.884 1.944 6.405) 7.739 3.518 ( -24.298 1.388 1.600) 24.390 3.601 ( 0.589 0.276 -5.563) 5.601 4.424 ( -4.825 5.705 28.971) 29.919 4.449 ( 6.621 1.544 12.884) 14.568 5.141 ( 5.446 6.114 0.214) 8.191 5.225 ( -4.779 -0.045 -0.937) 4.870 5.298 ( 1.127 -0.243 -2.779) 3.009 5.619 ( 11.729 -0.745 -6.321) 13.345 6.031 ( -0.221 1.781 -8.192) 8.386 6.460 ( -2.060 8.252 -3.714) 9.281 6.664 ( -3.893 -1.912 -0.593) 4.378 7.154 ( -2.796 0.312 0.228) 2.823 7.866 ( -37.771 9.234 23.318) 45.339 8.192 ( -5.328 6.350 12.991) 15.410 8.346 ( -0.666 -7.167 1.767) 7.412 8.526 ( 2.972 -2.028 -2.025) 4.128 9.053 ( 1.343 0.528 0.825) 1.662 9.137 ( -0.255 0.134 -0.172) 0.336 11.010 ( -18.201 -8.024 1.502) 19.948 11.624 ( 10.552 1.881 0.392) 10.726 11.700 ( 7.066 -2.237 -1.271) 7.520 12.721 ( 34.498 5.485 -27.811) 44.651 12.799 ( 11.728 -1.229 -14.068) 18.357 13.414 ( 55.161 2.731 -24.774) 60.530 23.467 ( 0.061 -0.264 3.577) 3.587 24.220 ( -23.180 42.173 45.774) 66.416 24.378 ( -4.085 4.463 -2.801) 6.667 25.151 ( -15.532 -11.157 5.514) 19.903 ======================= Grid point 105 (34/124) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 10.272 -13.955 6.945) 18.668 1.076 ( 14.904 -15.929 7.487) 23.063 1.392 ( 20.364 -8.443 22.779) 31.699 1.626 ( 7.218 -7.403 3.014) 10.769 2.058 ( 6.458 6.432 -4.550) 10.187 2.307 ( 2.355 -2.924 -4.292) 5.702 2.558 ( -0.575 2.193 -12.111) 12.322 2.913 ( 5.563 3.493 5.330) 8.459 3.136 ( -24.993 2.692 5.381) 25.707 3.617 ( 2.132 0.205 -3.827) 4.385 4.251 ( -7.141 -7.710 29.868) 31.663 4.776 ( 24.267 2.339 1.749) 24.442 5.117 ( -5.365 -0.093 -0.817) 5.428 5.148 ( -1.536 1.009 1.274) 2.236 5.301 ( 0.505 1.460 -1.312) 2.027 5.656 ( 2.921 7.594 -2.878) 8.630 5.954 ( 0.127 10.674 -6.358) 12.424 6.261 ( -5.689 10.239 2.207) 11.919 6.645 ( -4.573 -3.195 -3.957) 6.840 7.090 ( -4.270 2.026 -0.472) 4.749 7.319 ( -25.588 2.601 21.804) 33.719 8.164 ( 2.503 1.894 3.135) 4.436 8.469 ( 0.773 -9.841 0.298) 9.876 8.605 ( 3.325 -2.576 -2.237) 4.764 9.065 ( 1.994 1.314 1.245) 2.693 9.133 ( -0.725 -0.583 -0.095) 0.935 10.871 ( -12.273 -4.387 2.245) 13.225 11.623 ( 1.090 3.980 -2.792) 4.982 11.940 ( 16.475 -1.064 2.179) 16.653 12.847 ( 4.315 -3.181 2.830) 6.061 12.925 ( 4.573 2.219 -20.135) 20.767 14.105 ( 51.685 17.910 -36.291) 65.644 23.432 ( -4.399 8.060 16.406) 18.800 23.575 ( -8.205 9.210 35.256) 37.352 24.318 ( -2.262 2.179 -7.809) 8.417 25.103 ( -7.315 -4.668 3.609) 9.399 ======================= Grid point 106 (35/124) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 11.665 -12.111 5.264) 17.620 1.469 ( 7.684 -17.608 5.377) 19.950 1.773 ( 18.393 -4.163 12.868) 22.830 1.824 ( 6.476 -6.727 2.254) 9.606 2.061 ( 6.692 5.575 -2.210) 8.986 2.378 ( 1.711 -2.395 -4.378) 5.276 2.527 ( 0.805 2.406 -7.149) 7.586 2.729 ( -21.364 5.088 7.923) 23.347 2.962 ( 4.908 3.240 3.981) 7.102 3.659 ( 3.423 -0.467 -3.253) 4.745 4.365 ( -2.120 -16.882 20.297) 26.485 4.950 ( -2.315 1.388 -4.085) 4.896 5.049 ( 1.783 0.776 -1.951) 2.754 5.206 ( 7.548 -1.368 3.489) 8.427 5.282 ( 4.302 3.281 1.909) 5.737 5.549 ( -0.717 9.116 -0.647) 9.167 5.728 ( 0.864 22.234 1.919) 22.334 6.082 ( -6.929 2.558 1.635) 7.565 6.603 ( -6.590 -1.463 -3.848) 7.770 6.943 ( -10.976 3.021 9.587) 14.883 7.073 ( -8.707 -1.234 4.111) 9.708 8.180 ( 2.240 0.894 0.683) 2.507 8.611 ( 1.282 -8.124 -0.605) 8.247 8.679 ( 2.370 -2.157 -3.011) 4.397 9.074 ( 2.584 1.962 1.590) 3.613 9.131 ( -1.598 -1.392 0.174) 2.126 10.791 ( -6.478 -3.240 2.358) 7.617 11.575 ( 0.220 4.199 -2.189) 4.740 12.148 ( 12.000 0.438 1.519) 12.103 12.900 ( -0.640 0.579 -9.961) 9.998 13.001 ( 6.754 -3.120 -0.587) 7.463 14.431 ( 28.980 14.950 -21.722) 39.181 23.225 ( -4.093 6.237 26.143) 27.186 23.536 ( -0.074 -1.370 9.925) 10.020 24.251 ( -2.413 2.460 -7.450) 8.208 25.067 ( -4.003 -1.825 2.335) 4.980 ======================= Grid point 107 (36/124) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 11.996 -9.844 3.944) 16.011 1.756 ( 3.488 -12.453 4.258) 13.615 1.911 ( 1.239 0.205 1.109) 1.675 1.982 ( 6.570 -0.696 3.479) 7.467 2.135 ( 1.679 0.275 0.728) 1.851 2.374 ( -1.885 4.960 0.392) 5.320 2.391 ( -7.986 1.635 7.908) 11.358 2.576 ( 2.958 -0.857 -1.878) 3.607 2.985 ( 3.311 2.146 2.662) 4.760 3.715 ( 3.069 -0.522 -3.946) 5.026 4.616 ( -0.923 -22.245 13.197) 25.882 4.852 ( -5.830 0.580 -2.082) 6.218 5.065 ( 0.575 0.749 -3.081) 3.222 5.196 ( -1.694 2.463 -0.935) 3.133 5.335 ( 2.639 15.423 7.210) 17.228 5.418 ( -0.813 10.279 1.034) 10.363 5.539 ( 12.233 4.622 4.408) 13.800 5.984 ( -4.310 0.375 1.764) 4.672 6.481 ( -10.606 0.350 -1.162) 10.676 6.810 ( -4.250 0.147 11.020) 11.812 7.008 ( -2.959 -0.265 -1.820) 3.484 8.197 ( 1.282 0.337 -0.565) 1.441 8.712 ( 0.994 -3.781 -2.079) 4.428 8.729 ( 1.033 -1.833 -2.784) 3.490 9.087 ( 3.081 2.006 1.614) 4.015 9.123 ( -2.589 -1.716 0.648) 3.173 10.767 ( -2.453 -2.035 2.216) 3.882 11.524 ( -0.167 2.910 -1.362) 3.217 12.269 ( 6.161 0.489 0.794) 6.231 12.870 ( -1.436 0.787 -10.009) 10.142 13.131 ( 4.945 -2.478 3.142) 6.361 14.568 ( 13.165 7.710 -13.700) 20.505 23.140 ( -1.277 1.881 18.515) 18.654 23.556 ( 0.271 -1.027 9.224) 9.285 24.192 ( -1.634 1.690 -7.333) 7.701 25.042 ( -1.806 -0.599 1.585) 2.477 ======================= Grid point 108 (37/124) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 -0.000 1.697) 1.697 1.903 ( -0.000 0.000 -1.808) 1.808 1.915 ( 0.000 -0.000 -0.569) 0.569 1.964 ( 0.000 -0.000 14.704) 14.704 2.063 ( -0.000 -0.000 -0.972) 0.972 2.334 ( -0.000 -0.000 0.403) 0.403 2.374 ( 0.000 -0.000 8.659) 8.659 2.612 ( 0.000 -0.000 -1.869) 1.869 2.994 ( -0.000 -0.000 2.281) 2.281 3.743 ( -0.000 -0.000 -4.527) 4.527 4.801 ( 0.000 0.000 -1.739) 1.739 4.880 ( -0.000 -0.000 6.075) 6.075 4.970 ( 0.000 -0.000 5.482) 5.482 5.151 ( -0.000 0.000 2.201) 2.201 5.215 ( -0.000 -0.000 3.352) 3.352 5.330 ( 0.000 -0.000 0.568) 0.568 5.642 ( 0.000 -0.000 2.834) 2.834 5.951 ( -0.000 -0.000 2.023) 2.023 6.382 ( 0.000 -0.000 1.080) 1.080 6.785 ( -0.000 -0.000 10.264) 10.264 6.989 ( -0.000 -0.000 -2.960) 2.960 8.205 ( 0.000 0.000 -0.957) 0.957 8.739 ( 0.000 0.000 -4.462) 4.462 8.756 ( -0.000 -0.000 -0.865) 0.865 9.103 ( -0.000 -0.000 1.638) 1.638 9.108 ( 0.000 0.000 0.814) 0.814 10.765 ( -0.000 -0.000 2.099) 2.099 11.501 ( 0.000 -0.000 -0.966) 0.966 12.309 ( 0.000 -0.000 0.520) 0.520 12.852 ( 0.000 -0.000 -9.356) 9.356 13.186 ( -0.000 -0.000 3.756) 3.756 14.607 ( 0.000 -0.000 -11.372) 11.372 23.120 ( 0.000 -0.000 15.946) 15.946 23.566 ( -0.000 -0.000 9.399) 9.399 24.168 ( 0.000 -0.000 -7.366) 7.366 25.033 ( 0.000 -0.000 1.350) 1.350 ======================= Grid point 115 (38/124) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 8.150 -0.000 12.543) 14.958 0.845 ( 16.082 -0.000 17.132) 23.498 1.302 ( 28.275 -0.000 21.242) 35.365 1.516 ( 8.836 -0.000 3.168) 9.387 2.162 ( 5.003 -0.000 -5.175) 7.198 2.260 ( 3.417 -0.000 -4.286) 5.482 2.575 ( -2.624 0.000 -15.451) 15.673 2.962 ( 5.413 -0.000 5.199) 7.506 3.172 ( -24.599 0.000 6.285) 25.389 3.627 ( 2.513 -0.000 -5.778) 6.301 4.175 ( -14.324 0.000 37.675) 40.306 4.819 ( 25.862 -0.000 3.933) 26.159 5.114 ( -8.505 0.000 -1.941) 8.723 5.174 ( -4.072 0.000 -0.395) 4.091 5.321 ( 1.352 -0.000 -1.287) 1.866 5.801 ( 7.260 -0.000 -11.590) 13.676 6.022 ( -1.605 0.000 -3.977) 4.289 6.500 ( -0.550 0.000 -5.270) 5.299 6.565 ( -7.979 0.000 5.818) 9.874 7.102 ( -4.415 0.000 -1.143) 4.561 7.380 ( -31.772 0.000 25.123) 40.505 8.216 ( 2.261 -0.000 5.261) 5.727 8.279 ( -0.577 0.000 0.450) 0.732 8.563 ( 4.167 -0.000 -2.784) 5.011 9.058 ( 0.186 -0.000 1.528) 1.539 9.138 ( -0.034 0.000 0.156) 0.160 10.801 ( -8.502 0.000 2.952) 9.000 11.691 ( 0.744 -0.000 -3.737) 3.810 11.922 ( 19.907 -0.000 2.635) 20.081 12.802 ( 3.844 -0.000 2.664) 4.677 12.939 ( 0.101 -0.000 -18.037) 18.037 14.508 ( 58.751 -0.000 -80.191) 99.410 23.468 ( 0.327 -0.000 3.446) 3.462 23.995 ( -42.388 0.000 60.916) 74.213 24.345 ( -2.258 0.000 -8.676) 8.965 24.920 ( -0.180 0.000 5.098) 5.101 ======================= Grid point 116 (39/124) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 8.987 -16.638 5.605) 19.723 1.113 ( 15.321 -6.035 15.224) 22.426 1.669 ( 10.665 -2.590 2.866) 11.343 1.713 ( 24.916 -1.834 11.962) 27.700 2.198 ( 3.380 3.178 -3.089) 5.574 2.313 ( 2.266 -1.390 -4.283) 5.041 2.538 ( -4.225 -0.970 -12.900) 13.609 2.842 ( -18.521 2.515 7.026) 19.968 3.020 ( 3.396 1.061 3.570) 5.040 3.672 ( 4.636 0.871 -3.998) 6.184 4.068 ( -5.870 -5.031 31.772) 32.699 4.978 ( -8.968 0.521 -2.098) 9.224 5.089 ( -0.231 1.971 -1.230) 2.335 5.170 ( 14.407 -1.342 0.853) 14.495 5.339 ( 3.710 0.986 1.765) 4.224 5.783 ( -0.797 6.656 -4.191) 7.905 5.993 ( -2.369 0.660 -3.298) 4.115 6.347 ( -7.513 10.676 4.271) 13.736 6.536 ( -2.658 -3.263 -2.578) 4.936 7.016 ( -18.394 2.222 16.950) 25.111 7.042 ( -4.330 -0.596 -2.337) 4.957 8.218 ( 1.621 2.231 1.457) 3.119 8.359 ( 1.511 -8.379 0.288) 8.519 8.630 ( 3.697 -1.192 -3.839) 5.461 9.064 ( -0.749 -1.259 2.145) 2.598 9.136 ( 0.562 0.756 0.404) 1.025 10.720 ( -4.699 -1.453 2.745) 5.632 11.685 ( 0.973 2.723 -3.562) 4.588 12.163 ( 13.414 0.418 1.852) 13.548 12.881 ( 3.518 -0.574 -0.043) 3.564 12.923 ( -0.516 -2.325 -8.949) 9.260 14.951 ( 26.101 16.120 -53.349) 61.540 23.437 ( -8.768 5.300 19.938) 22.416 23.529 ( -7.845 2.557 30.922) 32.004 24.300 ( -3.119 0.954 -8.198) 8.823 24.957 ( -1.873 -4.845 4.074) 6.601 ======================= Grid point 117 (40/124) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 8.142 -18.512 1.282) 20.264 1.424 ( 14.447 -8.360 12.123) 20.629 1.834 ( 6.889 -3.084 0.584) 7.571 2.023 ( 14.063 0.572 7.114) 15.770 2.187 ( 2.190 3.217 -1.517) 4.177 2.351 ( -3.637 -3.102 -4.197) 6.361 2.435 ( -8.548 -0.159 5.795) 10.328 2.650 ( -1.356 4.109 -4.247) 6.063 3.026 ( -0.695 0.884 2.404) 2.654 3.728 ( 5.116 1.343 -2.196) 5.727 4.129 ( -2.921 -12.258 23.174) 26.378 4.857 ( -6.629 0.043 -1.368) 6.769 5.029 ( -4.713 -1.033 -1.111) 4.951 5.242 ( -2.228 1.308 -4.016) 4.775 5.508 ( 17.584 1.462 4.599) 18.234 5.653 ( -2.324 8.276 -0.183) 8.598 5.928 ( -1.529 6.601 -0.914) 6.837 6.072 ( -8.139 10.195 6.529) 14.587 6.510 ( -3.876 1.576 -3.657) 5.557 6.799 ( -8.580 0.617 13.498) 16.006 7.000 ( -2.640 -0.557 -2.693) 3.811 8.214 ( 0.879 1.071 -0.175) 1.397 8.508 ( 1.466 -9.545 -0.430) 9.667 8.692 ( 2.453 -1.272 -4.891) 5.617 9.065 ( -2.204 -1.790 2.622) 3.865 9.138 ( 1.628 1.179 0.517) 2.076 10.702 ( -1.534 -2.067 2.559) 3.630 11.646 ( 0.868 4.737 -2.860) 5.601 12.285 ( 5.314 0.570 0.911) 5.421 12.847 ( -5.578 -1.624 -9.626) 11.243 13.049 ( 7.371 -3.083 4.327) 9.086 14.956 ( 10.031 17.376 -29.352) 35.554 23.228 ( -5.799 4.333 26.475) 27.447 23.526 ( 1.067 -1.009 9.328) 9.443 24.237 ( -3.235 1.402 -7.761) 8.525 24.986 ( -1.668 -3.267 2.738) 4.577 ======================= Grid point 118 (41/124) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.676 -16.104 -0.259) 17.077 1.738 ( 14.702 -7.357 8.276) 18.405 1.922 ( 2.396 0.103 -1.028) 2.609 2.035 ( -11.323 2.715 6.813) 13.491 2.123 ( 3.279 3.785 2.099) 5.430 2.354 ( 0.428 -1.850 7.013) 7.266 2.406 ( -0.508 1.089 -2.566) 2.833 2.619 ( 1.556 2.067 -3.407) 4.278 2.982 ( -5.014 -0.702 2.282) 5.553 3.767 ( 2.564 1.530 -3.551) 4.640 4.302 ( -2.880 -18.797 16.368) 25.090 4.811 ( 0.417 -0.264 -0.323) 0.590 4.999 ( -4.339 -4.071 -1.072) 6.046 5.175 ( -3.998 0.759 -3.870) 5.616 5.501 ( -2.177 9.012 0.969) 9.322 5.650 ( -2.553 1.735 3.724) 4.837 5.692 ( 3.550 20.057 6.308) 21.323 5.964 ( 0.191 1.003 2.057) 2.296 6.426 ( 1.210 3.809 -0.355) 4.012 6.749 ( -1.878 -2.077 9.204) 9.620 6.986 ( -0.183 -0.443 -1.371) 1.453 8.209 ( -0.279 0.420 -0.806) 0.951 8.643 ( 0.760 -7.519 -1.033) 7.627 8.731 ( 1.054 -0.819 -5.364) 5.527 9.050 ( -3.325 -1.885 2.990) 4.852 9.150 ( 2.184 1.197 0.319) 2.511 10.726 ( 0.656 -2.213 2.297) 3.256 11.588 ( 0.987 5.336 -1.870) 5.740 12.310 ( -0.980 -0.010 0.479) 1.091 12.799 ( -5.554 -3.290 -8.882) 10.980 13.163 ( 3.660 -1.379 5.078) 6.410 14.809 ( -0.964 12.932 -16.899) 21.302 23.141 ( -1.817 1.517 18.298) 18.451 23.556 ( 1.278 -0.648 9.225) 9.335 24.180 ( -2.390 0.791 -7.478) 7.891 25.005 ( -0.658 -2.019 1.760) 2.758 ======================= Grid point 119 (42/124) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -4.113 -3.974 1.172) 5.838 1.834 ( -7.856 -0.273 9.106) 12.030 1.931 ( 0.609 1.436 -0.281) 1.585 1.999 ( 6.669 -2.361 0.176) 7.077 2.163 ( 6.863 1.119 1.083) 7.038 2.325 ( -4.152 -0.541 7.103) 8.246 2.352 ( -0.313 3.330 1.494) 3.663 2.615 ( -0.253 1.075 -1.500) 1.863 2.913 ( -7.934 -2.945 2.884) 8.940 3.753 ( -0.888 2.021 -4.919) 5.392 4.546 ( -2.867 -22.348 9.964) 24.636 4.875 ( 6.502 -1.366 0.297) 6.650 5.018 ( -3.064 -5.706 -1.125) 6.573 5.111 ( -4.488 0.772 -3.133) 5.528 5.322 ( -5.121 10.433 7.318) 13.735 5.433 ( 1.697 11.079 4.197) 11.969 5.550 ( -9.216 7.181 4.145) 12.397 5.990 ( 4.771 0.683 0.714) 4.872 6.491 ( 11.113 1.274 -0.817) 11.216 6.772 ( 0.941 -2.315 6.785) 7.230 7.010 ( 2.984 -0.345 2.102) 3.667 8.193 ( -1.637 0.012 -0.614) 1.749 8.724 ( -0.098 -3.280 -2.549) 4.155 8.744 ( -0.127 -0.468 -3.937) 3.966 9.026 ( -3.828 -2.114 3.214) 5.427 9.162 ( 1.661 1.077 -0.149) 1.985 10.775 ( 2.563 -1.504 2.024) 3.595 11.541 ( 1.726 4.093 -1.171) 4.594 12.261 ( -6.009 -0.158 0.566) 6.038 12.786 ( -4.284 -4.899 -9.443) 11.468 13.178 ( -1.739 1.112 4.791) 5.217 14.585 ( -10.940 7.626 -11.408) 17.550 23.118 ( -0.291 0.045 15.247) 15.250 23.575 ( 0.898 0.263 9.296) 9.343 24.157 ( -0.766 -0.795 -7.179) 7.263 25.027 ( 0.565 -1.477 1.217) 1.996 ======================= Grid point 120 (43/124) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -10.959 8.128 6.348) 15.048 1.766 ( -16.935 3.356 6.488) 18.443 1.828 ( -4.746 -1.390 2.081) 5.366 1.992 ( -1.689 2.430 -0.126) 2.962 2.114 ( -2.334 10.967 -0.145) 11.213 2.298 ( -1.462 -5.104 -1.761) 5.594 2.534 ( 5.723 -0.046 -0.167) 5.726 2.596 ( 11.983 -2.499 6.228) 13.734 2.851 ( -7.347 -4.641 4.399) 9.740 3.699 ( -2.118 2.234 -4.917) 5.801 4.745 ( -7.101 -8.393 3.841) 11.645 4.954 ( -0.075 5.255 2.611) 5.868 5.011 ( 5.997 -3.305 -0.284) 6.854 5.124 ( -0.315 -7.595 0.954) 7.661 5.179 ( -2.401 0.454 6.252) 6.713 5.277 ( -15.557 0.976 7.173) 17.158 5.408 ( 3.502 1.833 1.269) 4.152 6.070 ( 7.288 0.559 -1.242) 7.414 6.627 ( 7.655 0.452 -3.889) 8.598 6.855 ( 5.879 -3.275 4.817) 8.276 7.088 ( 7.936 -0.251 8.171) 11.394 8.163 ( -2.863 -0.384 0.319) 2.906 8.720 ( -1.302 1.105 -4.887) 5.177 8.746 ( -0.479 0.773 -0.812) 1.219 9.002 ( -4.034 -2.680 3.158) 5.782 9.164 ( 0.399 0.811 -0.559) 1.063 10.844 ( 5.875 -0.261 1.795) 6.148 11.530 ( 2.463 1.900 -1.131) 3.310 12.149 ( -9.455 0.489 1.012) 9.522 12.800 ( -4.836 -6.058 -11.790) 14.110 13.093 ( -5.374 3.387 4.033) 7.525 14.288 ( -20.852 3.315 -9.618) 23.201 23.129 ( 0.558 -1.490 16.939) 17.013 23.574 ( 0.506 1.190 8.887) 8.980 24.180 ( 0.765 -2.498 -6.801) 7.285 25.064 ( 1.966 -1.466 1.099) 2.687 ======================= Grid point 121 (44/124) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -16.454 9.235 4.901) 19.495 1.379 ( -21.836 7.318 12.729) 26.313 1.773 ( -3.347 5.180 5.791) 8.460 1.876 ( -5.832 10.862 2.950) 12.677 1.920 ( -1.983 5.575 -2.377) 6.377 2.372 ( 0.089 -3.650 -5.478) 6.583 2.462 ( -3.479 0.616 -3.619) 5.058 2.781 ( -5.965 -5.889 5.565) 10.061 3.024 ( 24.031 -5.307 5.380) 25.191 3.643 ( -1.552 1.977 -4.484) 5.140 4.580 ( -7.881 7.279 11.204) 15.512 4.782 ( -12.427 10.408 5.155) 17.010 5.110 ( 0.139 -1.348 0.236) 1.376 5.132 ( 1.633 -0.747 0.840) 1.982 5.222 ( 0.591 -5.515 -0.054) 5.547 5.376 ( -1.766 -24.764 6.064) 25.556 5.467 ( 1.706 -4.010 0.256) 4.365 6.168 ( 6.864 0.082 -4.010) 7.950 6.694 ( 3.679 0.539 -5.607) 6.728 6.996 ( 5.486 -4.060 1.557) 7.001 7.262 ( 15.230 -1.944 16.672) 22.665 8.125 ( -3.620 -0.961 1.864) 4.183 8.669 ( -1.937 3.073 -3.703) 5.188 8.701 ( -0.681 4.517 -0.629) 4.611 8.986 ( -4.122 -3.475 2.763) 6.058 9.153 ( -0.679 0.393 -0.707) 1.056 10.962 ( 11.719 0.640 1.298) 11.808 11.552 ( 2.340 0.297 -1.404) 2.745 11.985 ( -10.668 2.338 1.330) 11.002 12.785 ( -11.653 -6.933 -16.351) 21.242 12.959 ( -4.760 4.613 3.242) 7.379 13.900 ( -28.898 2.002 -9.036) 30.344 23.185 ( 1.703 -5.151 23.065) 23.694 23.561 ( 0.474 1.528 9.080) 9.220 24.238 ( 1.395 -3.409 -6.721) 7.664 25.125 ( 3.557 -1.760 1.440) 4.222 ======================= Grid point 122 (45/124) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -24.496 5.407 8.470) 26.477 1.023 ( -9.079 12.954 16.980) 23.207 1.530 ( -0.927 23.376 13.519) 27.019 1.664 ( -4.460 8.853 3.811) 10.620 1.881 ( -4.517 -5.567 -6.100) 9.413 2.329 ( -1.375 4.225 -4.238) 6.140 2.505 ( 0.061 -6.100 -9.108) 10.962 2.779 ( -4.216 -5.208 6.783) 9.535 3.437 ( 22.511 -4.553 1.109) 22.993 3.608 ( 0.180 1.111 -4.163) 4.312 4.399 ( -18.232 -2.662 8.304) 20.210 4.472 ( -0.297 12.787 22.486) 25.869 5.055 ( -5.513 -1.077 2.123) 6.005 5.230 ( 5.305 0.038 -1.544) 5.525 5.279 ( 0.217 -2.165 -0.893) 2.352 5.541 ( -0.721 -5.309 -1.028) 5.455 5.699 ( -0.796 -23.291 -0.514) 23.310 6.258 ( 3.992 -2.175 -5.459) 7.104 6.726 ( 2.403 1.118 -7.529) 7.982 7.105 ( 2.915 -3.202 1.495) 4.582 7.575 ( 18.736 -8.840 25.855) 33.131 8.091 ( -3.823 -1.824 3.543) 5.522 8.586 ( -0.470 6.519 -1.703) 6.754 8.612 ( -1.929 5.385 -1.110) 5.827 8.980 ( -3.853 -3.892 2.150) 5.883 9.141 ( -0.546 -0.074 -0.608) 0.821 11.172 ( 19.501 0.399 -0.398) 19.509 11.570 ( -0.424 0.109 -0.497) 0.662 11.813 ( -3.568 5.843 -0.642) 6.876 12.562 ( -35.338 -4.382 -20.181) 40.930 12.860 ( -1.835 3.434 0.336) 3.908 13.461 ( -21.475 6.003 -5.476) 22.961 23.336 ( 2.586 -12.373 28.521) 31.197 23.560 ( 1.183 -1.352 15.890) 15.992 24.303 ( 1.057 -3.350 -7.069) 7.893 25.212 ( 4.652 -2.361 2.047) 5.604 ======================= Grid point 123 (46/124) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.000 3.147 18.120) 18.392 0.757 ( -0.000 16.580 15.640) 22.793 1.192 ( -0.000 22.919 23.788) 33.033 1.507 ( -0.000 8.792 4.132) 9.715 1.936 ( 0.000 -7.006 -6.794) 9.759 2.263 ( -0.000 3.713 -4.290) 5.673 2.579 ( 0.000 -4.092 -11.859) 12.546 2.811 ( 0.000 -3.834 6.966) 7.951 3.585 ( 0.000 -0.585 -4.559) 4.596 3.727 ( 0.000 -3.367 -4.915) 5.957 4.188 ( -0.000 0.822 12.545) 12.572 4.497 ( 0.000 -8.514 33.318) 34.389 5.000 ( -0.000 0.404 2.194) 2.231 5.264 ( -0.000 0.339 -0.946) 1.005 5.295 ( 0.000 -0.310 -1.682) 1.710 5.572 ( 0.000 -0.156 -2.258) 2.264 5.944 ( 0.000 -12.263 -8.296) 14.805 6.353 ( 0.000 -8.090 -3.170) 8.689 6.722 ( -0.000 2.253 -7.176) 7.522 7.161 ( 0.000 -1.801 1.353) 2.253 7.999 ( 0.000 -25.220 35.062) 43.190 8.066 ( 0.000 -1.032 2.083) 2.325 8.471 ( -0.000 9.565 1.856) 9.744 8.533 ( -0.000 3.176 -3.353) 4.618 8.995 ( 0.000 -3.342 1.573) 3.694 9.140 ( 0.000 -0.127 -0.441) 0.459 11.450 ( 0.000 -3.651 -7.087) 7.973 11.512 ( -0.000 2.992 2.473) 3.882 11.788 ( -0.000 14.231 -17.125) 22.266 11.979 ( -0.000 5.604 -2.594) 6.176 12.803 ( -0.000 2.910 -0.069) 2.911 13.227 ( -0.000 6.505 -3.081) 7.198 23.465 ( 0.000 -1.742 5.485) 5.755 23.792 ( 0.000 -33.017 50.487) 60.325 24.353 ( 0.000 -2.791 -7.251) 7.769 25.297 ( 0.000 -2.957 2.127) 3.642 ======================= Grid point 126 (47/124) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 11.191 -0.000 6.163) 12.776 1.313 ( 17.743 -0.000 12.434) 21.666 1.789 ( 9.429 -0.000 0.880) 9.470 2.021 ( 17.217 -0.000 6.842) 18.527 2.245 ( 0.858 -0.000 -1.781) 1.977 2.299 ( -5.116 0.000 -6.015) 7.896 2.423 ( -6.934 0.000 3.831) 7.922 2.711 ( -3.506 0.000 -4.468) 5.679 3.037 ( -2.224 0.000 2.118) 3.071 3.760 ( 6.049 -0.000 -4.629) 7.617 3.960 ( -4.261 0.000 30.904) 31.196 4.858 ( -7.001 0.000 -1.232) 7.108 5.018 ( -6.778 0.000 -0.537) 6.799 5.261 ( -2.018 0.000 -4.835) 5.239 5.526 ( 17.145 -0.000 4.919) 17.836 5.789 ( -3.808 0.000 -0.880) 3.908 5.970 ( -0.934 0.000 -0.591) 1.105 6.241 ( -14.523 0.000 5.604) 15.567 6.526 ( 2.050 -0.000 -3.109) 3.724 6.870 ( -6.287 0.000 11.609) 13.203 6.973 ( -4.346 0.000 -2.351) 4.941 8.279 ( 1.150 -0.000 1.288) 1.726 8.294 ( 1.499 -0.000 -1.175) 1.905 8.671 ( 2.968 -0.000 -5.920) 6.622 9.038 ( -1.644 0.000 3.637) 3.991 9.154 ( 1.216 -0.000 0.312) 1.255 10.672 ( -1.193 0.000 2.617) 2.876 11.720 ( 1.315 -0.000 -3.752) 3.976 12.294 ( 4.497 -0.000 0.929) 4.592 12.820 ( -7.319 0.000 -9.983) 12.379 13.000 ( 9.441 -0.000 5.987) 11.179 15.248 ( 3.528 -0.000 -41.547) 41.697 23.309 ( -10.756 0.000 31.886) 33.651 23.511 ( 1.329 -0.000 9.494) 9.587 24.258 ( -3.724 0.000 -8.000) 8.825 24.922 ( 0.442 -0.000 3.458) 3.486 ======================= Grid point 127 (48/124) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 9.473 -12.077 3.329) 15.706 1.594 ( 18.835 -2.872 9.337) 21.218 1.914 ( 7.021 -0.335 -0.692) 7.063 2.072 ( -10.469 0.232 5.266) 11.721 2.229 ( 1.054 2.932 1.144) 3.320 2.279 ( 3.147 -2.373 -0.165) 3.945 2.395 ( -0.906 -0.798 2.711) 2.967 2.688 ( 0.792 1.664 -7.268) 7.498 2.965 ( -7.883 -0.436 1.923) 8.126 3.814 ( 3.020 1.729 -2.400) 4.227 3.955 ( -3.166 -6.701 24.074) 25.189 4.805 ( -0.065 -0.151 -0.663) 0.683 4.927 ( -6.820 -1.230 -0.512) 6.949 5.192 ( -6.096 0.412 -4.595) 7.645 5.617 ( -8.554 0.636 1.341) 8.682 5.757 ( 4.521 4.422 4.532) 7.780 5.969 ( 2.021 1.008 -0.076) 2.260 6.065 ( -1.822 4.606 6.788) 8.403 6.550 ( 2.507 1.702 -4.163) 5.149 6.774 ( -1.091 6.028 8.876) 10.785 6.949 ( -1.885 -2.736 0.165) 3.327 8.243 ( -0.083 2.628 -0.340) 2.651 8.402 ( 1.286 -8.440 -0.700) 8.566 8.707 ( 1.342 -0.657 -7.292) 7.444 9.014 ( -2.364 -0.643 4.598) 5.210 9.171 ( 1.516 0.392 -0.042) 1.566 10.678 ( 0.792 -1.017 2.424) 2.745 11.720 ( 1.840 3.191 -3.380) 4.999 12.306 ( -2.210 -0.226 0.504) 2.278 12.719 ( -8.126 -1.851 -7.946) 11.515 13.130 ( 6.986 -0.773 6.544) 9.603 15.145 ( -7.487 8.361 -26.454) 28.736 23.188 ( -4.800 1.376 22.870) 23.409 23.540 ( 2.092 -0.373 8.670) 8.927 24.200 ( -3.746 0.474 -7.657) 8.538 24.944 ( 0.478 -1.727 2.500) 3.076 ======================= Grid point 128 (49/124) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.190 -14.546 0.856) 15.832 1.879 ( -1.704 -0.314 15.504) 15.601 1.915 ( 6.794 -1.240 -1.080) 6.990 1.973 ( 1.674 1.284 -1.917) 2.851 2.220 ( 3.216 2.628 3.008) 5.128 2.290 ( -6.290 -1.309 4.426) 7.802 2.397 ( 0.239 -1.362 -4.471) 4.680 2.674 ( 1.387 2.904 -3.400) 4.682 2.841 ( -11.496 -2.084 2.802) 12.014 3.809 ( -0.172 1.832 -4.211) 4.596 4.042 ( -2.968 -12.859 19.654) 23.674 4.843 ( -0.364 -2.007 -1.482) 2.521 4.885 ( 1.099 -2.029 0.369) 2.337 5.102 ( -6.678 -0.583 -4.872) 8.287 5.391 ( -19.207 -0.054 3.794) 19.579 5.687 ( -0.506 7.787 6.964) 10.459 5.997 ( 6.553 9.065 1.693) 11.313 6.022 ( 4.604 6.207 2.396) 8.091 6.564 ( 6.314 3.412 -3.784) 8.113 6.726 ( 1.467 0.889 5.979) 6.221 6.982 ( 2.037 -1.911 4.205) 5.048 8.206 ( -1.652 1.212 -0.392) 2.086 8.539 ( 0.762 -8.946 -1.106) 9.046 8.725 ( -0.522 -1.060 -7.407) 7.501 8.988 ( -2.670 -0.647 4.826) 5.553 9.183 ( 0.856 0.482 -0.543) 1.123 10.719 ( 2.008 -1.951 2.168) 3.541 11.691 ( 2.926 5.652 -2.616) 6.881 12.252 ( -6.049 -0.662 0.505) 6.106 12.653 ( -6.731 -4.027 -7.280) 10.701 13.197 ( 1.746 0.321 6.075) 6.329 14.859 ( -14.177 10.031 -16.525) 23.972 23.131 ( -1.636 0.708 16.129) 16.227 23.574 ( 1.986 -0.190 9.224) 9.438 24.148 ( -2.889 0.005 -7.317) 7.867 24.976 ( 0.577 -1.894 1.586) 2.537 ======================= Grid point 129 (50/124) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -0.971 -6.799 -0.167) 6.870 1.735 ( -6.992 0.775 10.793) 12.883 1.872 ( -18.372 2.218 3.077) 18.759 1.971 ( -3.156 -1.719 -1.707) 3.978 2.250 ( 3.227 3.325 -0.627) 4.676 2.344 ( 5.797 -0.354 -1.400) 5.974 2.443 ( 12.607 -1.662 4.278) 13.416 2.637 ( -1.997 2.671 -0.646) 3.397 2.728 ( -8.515 -3.946 4.517) 10.416 3.764 ( -1.796 2.299 -5.616) 6.328 4.224 ( -2.456 -18.900 15.132) 24.336 4.853 ( -4.387 -6.856 -1.158) 8.221 4.939 ( -10.563 -1.016 -1.520) 10.720 5.027 ( 3.407 -1.378 -1.153) 3.852 5.175 ( -10.652 -1.920 5.268) 12.038 5.576 ( 0.989 8.312 5.877) 10.228 5.787 ( 0.800 23.284 5.656) 23.975 6.092 ( 7.463 0.804 -2.725) 7.985 6.635 ( 5.108 0.105 -4.555) 6.845 6.780 ( 5.179 -1.708 3.565) 6.515 7.063 ( 6.678 -1.329 9.038) 11.316 8.161 ( -3.096 0.373 0.325) 3.136 8.654 ( 0.130 -6.622 -1.667) 6.830 8.723 ( -1.822 -1.356 -6.325) 6.721 8.956 ( -2.805 -0.461 4.608) 5.415 9.179 ( -0.659 0.356 -0.914) 1.182 10.788 ( 3.254 -2.894 1.834) 4.726 11.660 ( 4.687 6.466 -1.900) 8.209 12.160 ( -7.355 -0.061 0.637) 7.382 12.633 ( -5.591 -5.336 -7.961) 11.096 13.171 ( -2.627 2.203 4.999) 6.062 14.489 ( -19.240 9.302 -11.023) 24.046 23.114 ( -0.333 0.020 13.371) 13.375 23.596 ( 1.390 0.475 9.224) 9.340 24.126 ( -1.367 -1.407 -6.803) 7.080 25.013 ( 0.909 -1.987 0.914) 2.369 ======================= Grid point 130 (51/124) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -23.973 5.421 0.930) 24.596 1.549 ( -13.688 4.032 13.294) 19.503 1.680 ( -6.844 -2.970 1.600) 7.630 2.023 ( 2.497 -4.192 -0.633) 4.921 2.227 ( 0.124 2.616 -1.835) 3.198 2.279 ( -0.305 9.444 -2.412) 9.752 2.553 ( -4.798 1.384 -1.186) 5.133 2.628 ( -3.498 -3.489 4.588) 6.742 2.868 ( 22.608 -5.693 6.258) 24.139 3.706 ( -1.781 2.409 -5.341) 6.124 4.420 ( -10.389 -16.059 8.197) 20.809 4.754 ( -13.267 -10.600 5.391) 17.817 4.940 ( -1.693 -10.389 -0.229) 10.528 5.095 ( -5.981 -1.572 2.548) 6.688 5.148 ( 8.154 -0.172 -0.888) 8.204 5.439 ( -0.933 25.305 8.416) 26.684 5.507 ( 2.217 6.090 3.838) 7.531 6.187 ( 7.071 0.816 -6.264) 9.481 6.687 ( 2.112 -0.756 -5.055) 5.531 6.894 ( 5.291 -3.233 2.444) 6.665 7.209 ( 10.649 -1.829 13.355) 17.178 8.109 ( -3.980 -0.210 1.568) 4.283 8.698 ( -2.162 -1.306 -5.940) 6.454 8.730 ( -0.258 -2.442 -1.253) 2.757 8.922 ( -3.103 -0.644 4.511) 5.513 9.157 ( -1.865 0.045 -0.969) 2.103 10.894 ( 4.993 -4.330 1.345) 6.745 11.653 ( 6.091 5.938 -1.149) 8.584 12.053 ( -5.545 2.020 0.150) 5.903 12.616 ( -7.850 -4.840 -9.376) 13.151 13.078 ( -3.962 3.887 3.641) 6.638 14.074 ( -21.452 8.787 -7.874) 24.483 23.118 ( 0.149 -0.805 14.318) 14.341 23.600 ( 0.775 1.192 8.571) 8.688 24.147 ( -0.012 -3.011 -6.176) 6.871 25.059 ( 1.335 -2.549 0.565) 2.932 ======================= Grid point 131 (52/124) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -28.951 4.230 5.518) 29.774 1.339 ( -4.321 9.973 17.570) 20.660 1.630 ( -6.458 -4.983 -2.583) 8.556 2.020 ( 1.787 10.233 0.908) 10.428 2.107 ( -0.111 15.601 1.136) 15.643 2.267 ( -0.492 -9.376 -5.437) 10.850 2.463 ( -2.766 3.794 -2.803) 5.468 2.622 ( -3.926 -5.193 7.073) 9.612 3.291 ( 23.353 -5.815 1.964) 24.146 3.650 ( -2.037 1.824 -4.566) 5.323 4.294 ( -19.589 -5.415 7.547) 21.679 4.936 ( -0.384 -15.765 3.322) 16.116 5.019 ( -2.096 4.899 3.917) 6.613 5.056 ( -2.753 -1.535 3.985) 5.080 5.121 ( -0.567 0.525 8.980) 9.013 5.250 ( 4.417 0.400 -1.242) 4.606 5.484 ( 1.440 1.987 2.159) 3.269 6.257 ( 4.141 0.813 -9.477) 10.374 6.722 ( 1.272 -0.928 -6.290) 6.484 7.004 ( 3.058 -3.925 3.069) 5.846 7.401 ( 9.869 -4.422 18.176) 21.150 8.060 ( -3.556 -0.641 2.640) 4.475 8.669 ( -1.865 0.937 -6.066) 6.415 8.740 ( 0.067 1.259 -0.332) 1.304 8.892 ( -2.955 -1.625 4.455) 5.587 9.133 ( -1.507 -0.341 -0.795) 1.737 11.048 ( 5.682 -6.974 0.518) 9.011 11.658 ( 4.060 4.848 0.959) 6.395 11.978 ( 3.826 5.201 -3.235) 7.221 12.493 ( -17.151 -0.771 -9.841) 19.789 12.973 ( -2.272 4.472 2.206) 5.480 13.679 ( -15.257 9.168 -5.577) 18.653 23.144 ( 0.383 -2.835 18.564) 18.784 23.589 ( 0.371 1.575 8.189) 8.348 24.200 ( 0.456 -3.963 -5.952) 7.165 25.121 ( 1.447 -3.585 0.633) 3.917 ======================= Grid point 132 (53/124) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -0.000 4.024 12.720) 13.341 1.151 ( -0.000 12.785 18.320) 22.340 1.652 ( 0.000 -4.296 -1.283) 4.484 1.847 ( -0.000 21.856 6.129) 22.699 1.882 ( -0.000 9.267 -1.536) 9.394 2.382 ( -0.000 4.840 -3.907) 6.221 2.399 ( 0.000 -9.143 -7.367) 11.741 2.670 ( 0.000 -6.001 7.650) 9.723 3.588 ( -0.000 0.799 -2.573) 2.694 3.602 ( 0.000 -5.528 -4.361) 7.041 4.175 ( 0.000 -3.148 11.242) 11.674 4.711 ( -0.000 20.612 16.606) 26.469 5.007 ( 0.000 -0.084 1.519) 1.521 5.212 ( 0.000 -8.429 -0.759) 8.463 5.276 ( -0.000 0.495 -1.386) 1.472 5.341 ( 0.000 -25.744 4.847) 26.196 5.493 ( 0.000 -2.183 0.967) 2.387 6.278 ( -0.000 0.308 -9.721) 9.726 6.744 ( 0.000 -0.588 -7.968) 7.990 7.080 ( 0.000 -3.784 2.995) 4.826 7.576 ( 0.000 -9.038 24.822) 26.417 8.040 ( 0.000 -0.789 2.550) 2.670 8.627 ( -0.000 2.973 -5.426) 6.187 8.695 ( -0.000 5.399 0.372) 5.412 8.898 ( 0.000 -3.073 3.661) 4.780 9.129 ( 0.000 -0.568 -0.633) 0.850 11.217 ( 0.000 -9.748 -0.615) 9.767 11.618 ( -0.000 4.482 2.986) 5.386 12.044 ( -0.000 4.394 -13.616) 14.308 12.179 ( -0.000 8.599 -3.112) 9.145 12.899 ( -0.000 4.123 1.157) 4.282 13.444 ( -0.000 8.961 -4.306) 9.942 23.214 ( 0.000 -7.247 25.155) 26.178 23.571 ( -0.000 1.293 9.335) 9.424 24.260 ( 0.000 -4.020 -6.336) 7.503 25.189 ( 0.000 -4.397 1.125) 4.538 ======================= Grid point 137 (54/124) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 9.929 -0.000 3.020) 10.378 1.845 ( 15.877 -0.000 9.249) 18.374 1.915 ( -7.529 0.000 6.255) 9.788 1.992 ( 2.705 -0.000 -2.525) 3.700 2.262 ( -6.418 0.000 3.104) 7.130 2.272 ( 2.892 -0.000 0.534) 2.941 2.364 ( -0.640 0.000 -3.252) 3.314 2.718 ( 1.715 -0.000 -5.224) 5.498 2.810 ( -12.827 0.000 2.539) 13.076 3.844 ( -0.775 0.000 -6.151) 6.200 3.863 ( -2.757 0.000 26.047) 26.192 4.806 ( -5.808 0.000 -1.102) 5.911 4.869 ( 5.900 -0.000 -0.111) 5.901 5.093 ( -8.076 0.000 -5.131) 9.568 5.388 ( -20.937 0.000 3.705) 21.262 5.808 ( -0.236 0.000 8.795) 8.798 6.023 ( 4.920 -0.000 -1.074) 5.036 6.186 ( 9.987 -0.000 4.066) 10.783 6.587 ( 2.006 -0.000 -4.339) 4.780 6.861 ( -3.499 0.000 1.029) 3.647 6.899 ( 6.962 -0.000 7.807) 10.460 8.260 ( -2.641 0.000 0.472) 2.682 8.351 ( 2.300 -0.000 -1.544) 2.770 8.706 ( -0.910 0.000 -8.026) 8.077 8.981 ( -1.783 0.000 5.121) 5.422 9.189 ( 0.602 -0.000 -0.678) 0.906 10.690 ( 1.758 -0.000 2.200) 2.817 11.781 ( 3.558 -0.000 -3.780) 5.191 12.236 ( -6.744 0.000 0.728) 6.783 12.595 ( -6.836 0.000 -6.235) 9.253 13.200 ( 3.128 -0.000 6.540) 7.249 15.014 ( -17.353 0.000 -19.729) 26.274 23.143 ( -2.580 0.000 17.350) 17.540 23.570 ( 2.413 -0.000 9.041) 9.357 24.149 ( -3.702 0.000 -7.421) 8.293 24.946 ( 1.167 -0.000 1.900) 2.230 ======================= Grid point 138 (55/124) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.915 -7.697 0.963) 11.083 1.776 ( -7.837 0.793 13.435) 15.574 1.913 ( -18.221 0.720 0.379) 18.240 1.965 ( -5.802 0.498 -3.731) 6.916 2.266 ( 12.544 -2.253 2.775) 13.043 2.329 ( 6.724 1.843 0.822) 7.021 2.405 ( 6.034 -1.519 -2.694) 6.780 2.627 ( -13.868 -1.763 4.029) 14.549 2.729 ( 1.448 1.761 -2.125) 3.116 3.812 ( -1.922 1.026 -5.271) 5.704 3.873 ( -2.526 -6.466 21.956) 23.027 4.729 ( -6.074 -2.202 -0.520) 6.481 4.920 ( -18.400 -0.376 -2.992) 18.646 4.999 ( 9.254 -0.590 -1.439) 9.384 5.136 ( -11.688 -0.801 5.199) 12.817 5.770 ( -0.502 4.551 9.248) 10.320 6.105 ( 6.679 0.182 -3.701) 7.638 6.251 ( 5.534 8.752 3.523) 10.937 6.621 ( 2.027 -0.875 -4.580) 5.084 6.798 ( 0.458 2.383 3.302) 4.098 7.033 ( 9.485 -0.598 7.502) 12.108 8.191 ( -3.747 1.837 0.646) 4.223 8.439 ( 1.432 -7.052 -1.328) 7.317 8.684 ( -2.996 -1.004 -6.591) 7.309 8.960 ( -1.047 0.298 3.976) 4.123 9.186 ( -1.046 0.130 -1.089) 1.515 10.726 ( 2.129 -1.282 1.912) 3.136 11.818 ( 5.298 3.969 -3.896) 7.681 12.135 ( -8.160 -1.359 1.110) 8.346 12.537 ( -3.170 -1.674 -5.549) 6.607 13.210 ( -0.997 0.700 5.475) 5.609 14.697 ( -21.882 4.596 -13.941) 26.350 23.118 ( -0.935 0.148 12.964) 12.999 23.603 ( 2.092 0.074 9.609) 9.835 24.103 ( -2.899 -0.364 -7.134) 7.709 24.970 ( 1.135 -0.935 1.212) 1.906 ======================= Grid point 139 (56/124) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -8.091 -2.211 -1.228) 8.477 1.495 ( -20.969 -2.650 -0.585) 21.144 1.707 ( -5.182 1.865 17.443) 18.291 1.866 ( -7.446 -2.911 -3.243) 8.628 2.356 ( 3.344 2.232 -4.829) 6.283 2.394 ( 2.668 1.425 -2.299) 3.799 2.478 ( -10.734 -3.040 5.119) 12.274 2.646 ( 10.759 0.149 -0.294) 10.764 2.758 ( 14.093 -1.116 5.042) 15.009 3.765 ( -1.961 1.759 -5.943) 6.501 3.967 ( -3.491 -12.900 18.504) 22.826 4.612 ( -23.446 -2.603 3.752) 23.886 4.711 ( -4.315 -5.681 0.228) 7.138 5.049 ( -5.184 -1.505 2.039) 5.771 5.144 ( 9.466 -0.130 -2.031) 9.683 5.686 ( 0.077 6.594 8.034) 10.393 6.093 ( 0.688 19.135 4.765) 19.731 6.198 ( 5.972 0.110 -7.802) 9.826 6.664 ( 2.275 -0.844 -3.816) 4.522 6.823 ( 2.538 -1.977 3.671) 4.881 7.180 ( 10.759 0.076 8.943) 13.991 8.115 ( -4.484 0.695 1.570) 4.802 8.558 ( 0.711 -7.769 -1.403) 7.927 8.656 ( -3.636 -2.113 -4.722) 6.324 8.939 ( -0.806 1.110 2.815) 3.131 9.159 ( -2.246 0.110 -1.137) 2.520 10.786 ( 2.334 -3.008 1.556) 4.113 11.819 ( 4.193 5.740 -2.110) 7.415 12.061 ( -4.747 -1.625 -0.551) 5.047 12.538 ( -0.216 -1.083 -5.579) 5.688 13.160 ( -2.996 2.064 3.957) 5.375 14.301 ( -22.181 6.801 -10.026) 25.275 23.110 ( -0.169 -0.027 10.999) 11.000 23.623 ( 1.335 0.551 9.515) 9.624 24.084 ( -1.539 -1.580 -6.595) 6.954 25.001 ( 0.912 -1.543 0.617) 1.895 ======================= Grid point 140 (57/124) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -30.457 3.070 2.685) 30.729 1.503 ( -0.865 0.185 2.018) 2.203 1.591 ( -5.919 3.368 9.554) 11.733 1.918 ( -0.065 -11.098 -0.655) 11.118 2.323 ( 0.883 7.662 0.460) 7.726 2.377 ( 0.338 3.755 -6.121) 7.188 2.411 ( -5.492 -4.508 6.313) 9.504 2.637 ( -0.143 3.749 -0.715) 3.819 3.139 ( 24.230 -4.986 2.439) 24.857 3.705 ( -3.122 2.161 -4.518) 5.902 4.054 ( -12.939 -12.602 11.725) 21.533 4.432 ( -9.590 -11.132 10.691) 18.171 4.776 ( -1.523 -9.511 0.341) 9.638 5.006 ( -3.593 -1.290 1.337) 4.045 5.253 ( 5.709 0.264 -2.093) 6.086 5.604 ( 0.668 6.192 6.197) 8.785 5.786 ( -0.393 24.966 6.714) 25.856 6.267 ( 3.281 -0.346 -11.940) 12.388 6.702 ( 1.676 -0.314 -3.765) 4.133 6.898 ( 1.976 -3.821 4.564) 6.272 7.324 ( 7.910 -1.178 11.192) 13.755 8.051 ( -3.619 -0.032 2.617) 4.466 8.634 ( -2.050 -2.761 -4.180) 5.413 8.670 ( -0.271 -5.734 -1.091) 5.843 8.907 ( -0.805 1.833 2.614) 3.292 9.128 ( -1.809 -0.033 -0.963) 2.050 10.874 ( 2.033 -5.233 1.121) 5.725 11.787 ( 1.229 4.300 1.862) 4.845 12.048 ( 1.269 -0.064 -5.374) 5.522 12.525 ( -1.369 2.786 -5.314) 6.154 13.083 ( -2.276 3.330 2.620) 4.810 13.922 ( -15.553 8.025 -7.480) 19.033 23.112 ( 0.034 -0.308 11.580) 11.584 23.625 ( 0.561 1.079 8.729) 8.813 24.103 ( -0.364 -2.995 -5.888) 6.616 25.038 ( 0.612 -2.326 0.242) 2.418 ======================= Grid point 141 (58/124) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.000 3.459 7.063) 7.864 1.442 ( -0.000 8.318 17.217) 19.121 1.526 ( 0.000 -2.726 -4.683) 5.419 2.088 ( 0.000 -11.977 -2.161) 12.170 2.193 ( -0.000 11.121 0.909) 11.158 2.295 ( -0.000 9.085 -4.250) 10.030 2.436 ( 0.000 -3.966 4.091) 5.698 2.583 ( -0.000 2.809 1.570) 3.218 3.445 ( 0.000 -5.652 -3.975) 6.909 3.624 ( -0.000 1.802 -0.599) 1.899 4.039 ( 0.000 -7.131 10.446) 12.648 4.622 ( 0.000 -21.688 10.319) 24.018 4.915 ( 0.000 -11.907 0.257) 11.909 4.993 ( 0.000 -0.903 1.179) 1.485 5.290 ( -0.000 0.459 -1.935) 1.988 5.420 ( -0.000 26.633 9.532) 28.288 5.541 ( -0.000 4.891 4.098) 6.381 6.294 ( -0.000 0.156 -12.818) 12.819 6.719 ( 0.000 -0.661 -4.938) 4.982 6.970 ( 0.000 -4.198 4.608) 6.234 7.416 ( 0.000 -3.386 15.055) 15.431 8.025 ( 0.000 -0.289 2.907) 2.922 8.647 ( 0.000 -1.662 -5.323) 5.576 8.730 ( 0.000 -2.789 -0.555) 2.843 8.874 ( -0.000 1.454 3.627) 3.907 9.116 ( 0.000 -0.275 -0.802) 0.848 10.978 ( 0.000 -7.431 0.684) 7.462 11.739 ( -0.000 4.093 3.643) 5.480 12.083 ( 0.000 -0.677 -9.694) 9.718 12.415 ( -0.000 8.193 -3.729) 9.002 13.015 ( -0.000 4.089 1.976) 4.541 13.691 ( -0.000 8.778 -6.043) 10.658 23.121 ( 0.000 -1.098 14.328) 14.370 23.612 ( -0.000 1.417 8.087) 8.210 24.149 ( 0.000 -3.866 -5.591) 6.798 25.081 ( 0.000 -3.286 0.218) 3.293 ======================= Grid point 148 (59/124) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.038 -0.000 -0.269) 8.042 1.501 ( -32.960 0.000 -0.932) 32.973 1.727 ( -4.167 0.000 18.329) 18.797 1.844 ( -11.078 0.000 -5.009) 12.157 2.348 ( 2.159 -0.000 -10.184) 10.410 2.417 ( -7.050 0.000 4.627) 8.433 2.451 ( 1.687 -0.000 2.747) 3.224 2.626 ( 20.601 -0.000 3.422) 20.884 2.766 ( 4.335 -0.000 0.838) 4.415 3.790 ( -3.255 0.000 22.473) 22.707 3.791 ( -1.848 0.000 -6.536) 6.792 4.577 ( -25.603 0.000 3.954) 25.906 4.635 ( -4.705 0.000 -0.164) 4.708 5.026 ( -4.954 0.000 2.098) 5.380 5.142 ( 9.866 -0.000 -2.366) 10.146 5.790 ( -0.843 0.000 10.341) 10.375 6.187 ( 4.506 -0.000 -8.783) 9.871 6.383 ( 3.624 -0.000 3.068) 4.748 6.645 ( 2.566 -0.000 -2.200) 3.380 6.794 ( -0.854 0.000 4.686) 4.764 7.196 ( 11.875 -0.000 5.784) 13.209 8.136 ( -5.649 0.000 1.749) 5.914 8.413 ( 1.918 -0.000 -1.328) 2.332 8.625 ( -3.874 0.000 -4.221) 5.729 8.956 ( -0.177 0.000 2.007) 2.015 9.161 ( -2.302 0.000 -1.209) 2.600 10.744 ( 1.753 -0.000 1.575) 2.357 11.932 ( 5.912 -0.000 -5.967) 8.399 12.000 ( -8.394 0.000 2.680) 8.811 12.529 ( 3.357 -0.000 -4.495) 5.610 13.189 ( -2.571 0.000 4.084) 4.826 14.400 ( -23.305 0.000 -11.115) 25.820 23.110 ( -0.306 0.000 10.273) 10.278 23.631 ( 1.644 -0.000 10.122) 10.254 24.063 ( -2.237 0.000 -7.014) 7.362 24.980 ( 1.027 -0.000 0.789) 1.295 ======================= Grid point 149 (60/124) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -30.772 1.219 0.945) 30.811 1.444 ( 6.349 -3.191 -2.883) 7.669 1.666 ( -6.639 1.501 7.724) 10.295 1.713 ( -5.165 -3.108 6.313) 8.729 2.303 ( -6.581 -1.950 8.057) 10.584 2.376 ( 0.552 -1.321 -10.301) 10.400 2.496 ( 3.347 3.159 1.127) 4.738 2.716 ( 0.312 1.607 -1.295) 2.088 3.039 ( 24.414 -2.023 3.061) 24.688 3.747 ( -6.696 -1.844 9.283) 11.594 3.774 ( -3.042 -3.044 4.137) 5.969 4.268 ( -17.693 -2.638 10.112) 20.549 4.604 ( -2.385 -3.035 0.145) 3.863 4.976 ( -2.938 -0.680 1.380) 3.317 5.258 ( 6.092 0.082 -2.560) 6.608 5.754 ( -0.364 3.674 9.807) 10.479 6.230 ( 1.072 0.086 -12.088) 12.136 6.334 ( 1.350 11.161 2.918) 11.615 6.693 ( 2.720 -0.882 -0.262) 2.872 6.807 ( 0.396 -2.254 4.468) 5.020 7.334 ( 8.222 1.276 5.708) 10.090 8.056 ( -4.418 0.309 2.651) 5.161 8.477 ( 0.991 -5.546 -1.062) 5.734 8.585 ( -2.747 -1.186 -2.682) 4.019 8.949 ( -0.062 0.924 0.981) 1.349 9.129 ( -1.847 0.070 -1.093) 2.147 10.777 ( 1.146 -1.809 1.255) 2.482 11.882 ( -3.372 2.419 3.028) 5.137 12.012 ( 1.681 -1.690 -6.466) 6.891 12.597 ( 5.962 1.708 -4.334) 7.566 13.146 ( -2.051 1.183 2.746) 3.626 14.082 ( -16.756 3.228 -8.920) 19.255 23.108 ( -0.026 -0.036 9.060) 9.060 23.646 ( 0.824 0.406 10.115) 10.157 24.046 ( -1.056 -1.088 -6.706) 6.875 24.996 ( 0.567 -0.757 0.427) 1.037 ======================= Grid point 150 (61/124) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.000 2.315 3.206) 3.954 1.510 ( -0.000 0.793 -6.538) 6.586 1.585 ( -0.000 1.543 11.414) 11.518 1.768 ( 0.000 -9.279 5.173) 10.623 2.296 ( 0.000 -3.796 8.205) 9.041 2.395 ( 0.000 -0.459 -9.228) 9.239 2.451 ( -0.000 6.507 1.397) 6.656 2.685 ( -0.000 3.058 -0.959) 3.205 3.315 ( 0.000 -3.583 -3.854) 5.262 3.666 ( 0.000 -0.223 8.125) 8.128 3.803 ( 0.000 -7.069 6.230) 9.423 4.221 ( 0.000 -8.202 13.866) 16.110 4.653 ( 0.000 -6.534 0.389) 6.546 4.965 ( 0.000 -0.948 1.211) 1.538 5.300 ( -0.000 0.273 -2.392) 2.408 5.688 ( -0.000 5.526 8.167) 9.861 6.092 ( -0.000 19.562 4.853) 20.155 6.277 ( 0.000 -0.628 -13.990) 14.004 6.719 ( -0.000 0.252 -2.018) 2.034 6.856 ( 0.000 -3.969 5.568) 6.838 7.380 ( -0.000 0.633 7.679) 7.705 8.021 ( 0.000 -0.037 3.087) 3.087 8.575 ( 0.000 -7.333 -0.904) 7.389 8.586 ( 0.000 -2.036 -2.689) 3.373 8.929 ( -0.000 1.831 1.106) 2.139 9.114 ( -0.000 0.064 -0.971) 0.973 10.824 ( 0.000 -3.806 1.075) 3.955 11.829 ( -0.000 2.353 4.203) 4.816 12.044 ( 0.000 -1.568 -8.113) 8.263 12.599 ( -0.000 4.923 -4.228) 6.490 13.106 ( -0.000 2.372 2.185) 3.226 13.894 ( -0.000 5.613 -7.689) 9.520 23.109 ( 0.000 -0.105 9.602) 9.602 23.643 ( -0.000 0.838 9.419) 9.456 24.062 ( 0.000 -2.301 -6.156) 6.572 25.016 ( 0.000 -1.538 0.214) 1.553 ======================= Grid point 160 (62/124) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.000 -0.000 1.894) 1.894 1.527 ( 0.000 -0.000 -7.476) 7.476 1.541 ( -0.000 0.000 -1.516) 1.516 1.681 ( 0.000 -0.000 19.493) 19.493 2.241 ( 0.000 -0.000 9.314) 9.314 2.371 ( 0.000 -0.000 -10.996) 10.996 2.544 ( 0.000 -0.000 1.162) 1.162 2.727 ( 0.000 -0.000 -0.932) 0.932 3.264 ( 0.000 -0.000 -3.852) 3.852 3.600 ( 0.000 -0.000 23.298) 23.298 3.764 ( -0.000 0.000 -6.463) 6.463 4.113 ( 0.000 -0.000 14.608) 14.608 4.566 ( 0.000 -0.000 0.158) 0.158 4.950 ( 0.000 -0.000 1.287) 1.287 5.304 ( 0.000 -0.000 -2.571) 2.571 5.776 ( 0.000 -0.000 10.579) 10.579 6.232 ( 0.000 -0.000 -15.175) 15.175 6.429 ( 0.000 -0.000 3.241) 3.241 6.702 ( -0.000 0.000 3.732) 3.732 6.795 ( 0.000 -0.000 2.224) 2.224 7.408 ( 0.000 -0.000 4.337) 4.337 8.021 ( 0.000 -0.000 3.137) 3.137 8.445 ( 0.000 -0.000 -0.853) 0.853 8.556 ( 0.000 -0.000 -1.940) 1.940 8.956 ( 0.000 -0.000 0.413) 0.413 9.116 ( 0.000 -0.000 -1.052) 1.052 10.773 ( 0.000 -0.000 1.120) 1.120 11.861 ( 0.000 -0.000 4.425) 4.425 12.020 ( 0.000 -0.000 -7.701) 7.701 12.668 ( 0.000 -0.000 -4.422) 4.422 13.139 ( 0.000 -0.000 2.223) 2.223 13.973 ( 0.000 -0.000 -8.389) 8.389 23.108 ( 0.000 -0.000 8.315) 8.315 23.655 ( 0.000 -0.000 10.464) 10.464 24.030 ( 0.000 -0.000 -6.847) 6.847 24.995 ( 0.000 -0.000 0.364) 0.364 ======================= Grid point 206 (63/124) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 0.000 23.364) 23.364 0.796 ( 0.000 0.000 19.068) 19.068 1.479 ( 0.000 0.000 5.028) 5.028 1.654 ( 0.000 0.000 37.196) 37.196 1.876 ( 0.000 0.000 -9.472) 9.472 2.093 ( 0.000 0.000 -6.475) 6.475 2.277 ( 0.000 0.000 -20.317) 20.317 3.031 ( 0.000 0.000 9.552) 9.552 3.383 ( 0.000 0.000 -15.325) 15.325 3.633 ( 0.000 0.000 -8.644) 8.644 4.540 ( 0.000 0.000 20.560) 20.560 5.058 ( 0.000 0.000 3.669) 3.669 5.103 ( 0.000 0.000 2.490) 2.490 5.194 ( 0.000 0.000 -1.692) 1.692 5.235 ( 0.000 0.000 -1.673) 1.673 5.623 ( 0.000 0.000 13.090) 13.090 5.844 ( 0.000 0.000 -14.258) 14.258 6.321 ( 0.000 0.000 -10.390) 10.390 6.783 ( 0.000 0.000 5.929) 5.929 7.158 ( 0.000 0.000 -2.811) 2.811 8.137 ( 0.000 0.000 3.464) 3.464 8.392 ( 0.000 0.000 5.534) 5.534 8.412 ( 0.000 0.000 -4.420) 4.420 8.719 ( 0.000 0.000 -3.566) 3.566 9.070 ( 0.000 0.000 1.208) 1.208 9.129 ( 0.000 0.000 -0.578) 0.578 11.163 ( 0.000 0.000 6.687) 6.687 11.535 ( 0.000 0.000 4.129) 4.129 11.606 ( 0.000 0.000 -5.406) 5.406 11.831 ( 0.000 0.000 -4.264) 4.264 12.797 ( 0.000 0.000 2.930) 2.930 13.056 ( 0.000 0.000 -4.413) 4.413 23.570 ( 0.000 0.000 6.923) 6.923 24.170 ( 0.000 0.000 -11.259) 11.259 25.044 ( 0.000 0.000 5.715) 5.715 25.272 ( 0.000 0.000 -1.978) 1.978 ======================= Grid point 207 (64/124) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 2.134 -7.739 19.461) 21.052 0.944 ( 13.965 -5.588 16.412) 22.262 1.541 ( 3.842 -4.565 4.189) 7.290 1.739 ( 6.621 -4.901 34.624) 35.590 1.898 ( 6.794 3.956 -7.879) 11.131 2.126 ( 2.100 -2.060 -6.822) 7.430 2.265 ( -1.131 -0.418 -18.624) 18.663 3.037 ( 2.397 1.789 8.884) 9.374 3.400 ( 1.553 -0.637 -14.333) 14.431 3.512 ( -13.824 1.393 -3.271) 14.274 4.642 ( 13.343 1.522 13.830) 19.278 4.886 ( -10.377 2.324 13.248) 16.988 5.155 ( 0.651 1.340 0.864) 1.723 5.198 ( -3.410 0.415 -1.442) 3.725 5.235 ( 3.155 -1.120 -2.533) 4.198 5.660 ( 4.812 1.690 8.235) 9.686 5.841 ( 2.379 3.039 -12.130) 12.729 6.298 ( 1.151 4.924 -10.140) 11.331 6.740 ( -3.173 2.169 6.465) 7.522 7.133 ( -3.794 -0.114 -2.795) 4.714 8.068 ( -12.125 1.670 5.525) 13.429 8.354 ( -7.310 -1.169 -1.027) 7.474 8.437 ( -7.156 2.030 5.749) 9.401 8.509 ( -3.453 -0.834 1.891) 4.024 9.075 ( 1.562 0.523 1.242) 2.063 9.132 ( 0.285 0.352 -0.418) 0.617 11.073 ( -13.935 -4.207 4.973) 15.382 11.555 ( -1.326 1.678 -7.053) 7.370 11.728 ( 18.172 -2.221 3.804) 18.699 12.153 ( 30.884 -0.581 -16.395) 34.971 12.829 ( 3.104 -1.622 3.694) 5.090 13.191 ( 17.334 -2.979 -7.410) 19.085 23.571 ( -0.087 -0.199 6.786) 6.790 24.157 ( -0.922 1.041 -10.862) 10.951 24.807 ( -9.178 22.670 15.666) 29.045 25.210 ( -10.243 -4.984 0.093) 11.391 ======================= Grid point 208 (65/124) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 6.053 -11.347 13.203) 18.431 1.266 ( 14.630 -10.010 11.229) 20.984 1.689 ( 5.141 -6.761 1.956) 8.716 1.928 ( 9.130 -0.049 10.624) 14.008 1.969 ( 11.354 -0.298 13.514) 17.653 2.185 ( 1.230 -3.063 -8.866) 9.461 2.292 ( 2.943 -2.187 -11.907) 12.459 3.041 ( 2.516 3.307 6.757) 7.932 3.239 ( -17.909 3.119 3.946) 18.602 3.453 ( 3.341 -0.787 -12.444) 12.909 4.723 ( -4.237 -1.929 13.956) 14.712 4.846 ( 10.145 3.332 6.445) 12.473 5.087 ( -6.922 -0.197 -1.823) 7.161 5.190 ( -0.046 -2.380 1.338) 2.731 5.287 ( 5.810 1.988 1.950) 6.442 5.662 ( 3.029 6.752 4.271) 8.544 5.822 ( 3.569 6.525 -7.527) 10.582 6.209 ( 0.273 9.467 -7.277) 11.943 6.664 ( -4.798 0.093 5.632) 7.399 7.054 ( -6.117 0.939 -3.101) 6.922 7.715 ( -25.933 3.028 16.921) 31.113 8.221 ( -2.478 2.706 1.392) 3.924 8.469 ( 0.029 -7.490 -0.151) 7.492 8.564 ( 1.542 -3.061 -1.568) 3.769 9.093 ( 2.119 0.870 1.396) 2.682 9.131 ( 0.178 0.093 -0.125) 0.236 10.946 ( -10.423 -3.229 5.516) 12.227 11.522 ( -0.025 2.257 -7.757) 8.078 11.999 ( 16.330 -0.419 3.523) 16.711 12.476 ( 14.351 1.036 -19.895) 24.553 12.936 ( 7.145 -3.511 6.061) 10.005 13.593 ( 30.985 -1.292 -17.489) 35.603 23.566 ( -0.688 0.574 6.604) 6.665 24.112 ( -1.956 3.043 -8.192) 8.956 24.346 ( -12.083 17.122 27.532) 34.600 25.135 ( -6.799 -1.625 -1.301) 7.110 ======================= Grid point 209 (66/124) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 8.072 -12.326 8.246) 16.884 1.589 ( 9.740 -10.996 6.656) 16.128 1.835 ( 3.108 -4.836 -1.562) 5.957 1.986 ( 6.305 3.618 -2.225) 7.602 2.195 ( 12.288 -3.181 22.743) 26.045 2.256 ( 2.585 -3.149 -6.211) 7.428 2.388 ( 4.861 -2.950 -6.116) 8.351 2.910 ( -15.247 5.032 9.179) 18.494 3.049 ( 0.443 2.826 4.026) 4.938 3.518 ( 4.700 -0.044 -10.824) 11.800 4.734 ( -3.254 -8.043 12.825) 15.484 4.869 ( -1.946 2.079 -3.346) 4.394 5.025 ( -1.359 -0.089 0.226) 1.381 5.209 ( -2.699 -1.621 -1.816) 3.634 5.392 ( 12.468 1.856 7.484) 14.660 5.576 ( 1.524 9.169 4.162) 10.184 5.739 ( 3.522 13.604 -1.116) 14.097 6.081 ( -1.744 6.238 -3.257) 7.250 6.594 ( -6.844 -0.980 3.370) 7.692 6.955 ( -4.389 1.735 -3.740) 6.022 7.374 ( -18.730 -0.076 20.656) 27.884 8.181 ( -0.417 1.101 -1.326) 1.773 8.573 ( 1.109 -5.488 -2.987) 6.346 8.621 ( 0.499 -3.569 -2.690) 4.497 9.107 ( 2.195 1.481 1.476) 3.032 9.135 ( -0.271 -0.657 0.195) 0.737 10.873 ( -5.637 -2.581 6.202) 8.769 11.490 ( 0.057 2.463 -6.896) 7.323 12.187 ( 10.794 0.800 2.303) 11.066 12.584 ( 4.845 1.108 -16.080) 16.830 13.110 ( 9.208 -4.042 8.666) 13.275 13.995 ( 24.546 1.628 -20.419) 31.970 23.523 ( -2.275 2.757 8.145) 8.895 23.992 ( -3.338 6.775 18.433) 19.920 24.104 ( -4.661 2.875 2.597) 6.061 25.067 ( -4.089 0.033 -3.295) 5.251 ======================= Grid point 210 (67/124) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 8.191 -10.553 4.810) 14.198 1.819 ( 3.948 -7.948 2.803) 9.307 1.890 ( 0.327 -0.367 -2.884) 2.925 2.020 ( 2.837 1.930 -1.792) 3.871 2.325 ( 2.664 -0.971 -0.443) 2.870 2.334 ( 1.811 -0.074 17.063) 17.159 2.488 ( 3.793 -2.004 -2.903) 5.180 2.682 ( -6.187 2.522 13.340) 14.920 3.034 ( 1.510 1.877 1.647) 2.918 3.576 ( 3.494 0.355 -9.954) 10.556 4.788 ( -5.387 -2.428 -1.245) 6.039 4.839 ( 0.395 -5.938 2.995) 6.662 5.038 ( -0.681 -3.747 1.751) 4.192 5.172 ( -3.242 -0.204 -1.452) 3.558 5.426 ( 0.421 6.874 3.624) 7.782 5.516 ( 4.204 13.994 6.376) 15.943 5.646 ( 9.357 3.813 5.899) 11.701 6.005 ( -1.751 1.672 -0.860) 2.570 6.490 ( -8.239 -0.374 3.013) 8.781 6.903 ( -0.187 1.333 -4.941) 5.121 7.186 ( -9.733 -1.369 22.136) 24.220 8.169 ( 0.014 0.392 -2.844) 2.871 8.628 ( 0.457 -1.397 -4.500) 4.734 8.682 ( 0.375 -3.637 -3.537) 5.087 9.118 ( 2.078 1.359 1.268) 2.788 9.137 ( -1.005 -0.874 0.639) 1.477 10.848 ( -2.208 -1.599 6.411) 6.966 11.460 ( -0.037 1.713 -5.730) 5.980 12.290 ( 5.375 0.627 1.294) 5.564 12.611 ( 1.338 0.699 -13.301) 13.386 13.271 ( 6.241 -2.514 10.272) 12.279 14.232 ( 12.482 1.677 -18.627) 22.485 23.448 ( -2.133 2.587 10.943) 11.445 23.916 ( 0.019 1.632 22.652) 22.711 24.028 ( -2.833 1.312 -5.877) 6.655 25.023 ( -1.862 0.262 -4.545) 4.918 ======================= Grid point 211 (68/124) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 -0.000 2.658) 2.658 1.871 ( 0.000 -0.000 -1.711) 1.711 1.911 ( 0.000 0.000 0.616) 0.616 2.009 ( -0.000 -0.000 -3.132) 3.132 2.306 ( -0.000 -0.000 18.384) 18.384 2.352 ( -0.000 -0.000 1.590) 1.590 2.533 ( 0.000 -0.000 -1.130) 1.130 2.648 ( 0.000 -0.000 12.106) 12.106 3.034 ( -0.000 -0.000 1.370) 1.370 3.599 ( -0.000 -0.000 -9.779) 9.779 4.759 ( 0.000 0.000 -1.877) 1.877 4.897 ( -0.000 -0.000 -3.135) 3.135 5.081 ( 0.000 0.000 4.160) 4.160 5.145 ( -0.000 0.000 -1.168) 1.168 5.371 ( 0.000 0.000 4.016) 4.016 5.404 ( -0.000 -0.000 10.280) 10.280 5.720 ( -0.000 -0.000 4.771) 4.771 5.981 ( 0.000 -0.000 0.050) 0.050 6.422 ( 0.000 -0.000 3.927) 3.927 6.896 ( -0.000 -0.000 -6.420) 6.420 7.127 ( -0.000 -0.000 23.361) 23.361 8.167 ( 0.000 -0.000 -3.335) 3.335 8.639 ( 0.000 -0.000 -4.800) 4.800 8.711 ( -0.000 -0.000 -4.035) 4.035 9.126 ( -0.000 -0.000 0.858) 0.858 9.133 ( 0.000 0.000 1.126) 1.126 10.845 ( -0.000 -0.000 6.388) 6.388 11.447 ( 0.000 -0.000 -5.187) 5.187 12.324 ( 0.000 -0.000 0.933) 0.933 12.614 ( 0.000 -0.000 -12.285) 12.285 13.335 ( -0.000 -0.000 10.769) 10.769 14.308 ( 0.000 -0.000 -17.569) 17.569 23.413 ( 0.000 -0.000 11.666) 11.666 23.913 ( -0.000 -0.000 24.458) 24.458 23.995 ( 0.000 -0.000 -9.370) 9.370 25.008 ( 0.000 -0.000 -4.926) 4.926 ======================= Grid point 218 (69/124) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.171 -0.000 20.607) 20.849 1.140 ( 15.932 -0.000 13.458) 20.856 1.589 ( 6.900 -0.000 3.258) 7.631 1.860 ( 14.115 -0.000 29.430) 32.640 2.039 ( 8.513 -0.000 -6.196) 10.529 2.142 ( 0.633 -0.000 -10.260) 10.279 2.251 ( 1.796 -0.000 -12.916) 13.040 3.086 ( 2.206 -0.000 6.296) 6.671 3.286 ( -18.116 0.000 4.244) 18.607 3.439 ( 4.440 -0.000 -13.043) 13.778 4.702 ( -7.737 0.000 15.294) 17.140 4.937 ( 15.067 -0.000 7.370) 16.773 5.064 ( -8.891 0.000 -3.050) 9.399 5.156 ( -3.880 0.000 -1.431) 4.135 5.315 ( 6.424 -0.000 2.340) 6.837 5.762 ( 6.036 -0.000 6.068) 8.559 5.896 ( 2.423 -0.000 -8.729) 9.059 6.359 ( 2.478 -0.000 -8.492) 8.847 6.682 ( -7.273 0.000 6.489) 9.747 7.057 ( -6.278 0.000 -3.486) 7.181 7.774 ( -28.261 0.000 14.689) 31.851 8.269 ( -3.507 0.000 -2.164) 4.121 8.338 ( -3.761 0.000 6.041) 7.116 8.507 ( 2.522 -0.000 -2.249) 3.379 9.092 ( 1.060 -0.000 1.721) 2.022 9.141 ( 0.465 -0.000 0.048) 0.468 10.895 ( -8.443 0.000 6.662) 10.755 11.560 ( 0.209 -0.000 -9.761) 9.763 11.993 ( 18.919 -0.000 4.191) 19.378 12.490 ( 13.989 -0.000 -20.745) 25.021 12.885 ( 6.772 -0.000 5.764) 8.893 13.585 ( 37.599 -0.000 -23.526) 44.353 23.569 ( -0.069 0.000 6.613) 6.613 24.144 ( -1.811 0.000 -10.865) 11.015 24.747 ( -27.926 0.000 20.685) 34.752 25.014 ( -1.803 0.000 3.742) 4.154 ======================= Grid point 219 (70/124) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 5.579 -10.296 15.382) 19.332 1.377 ( 13.447 -4.077 11.097) 17.905 1.714 ( 7.207 -2.719 1.492) 7.846 2.076 ( 9.940 0.757 6.681) 12.000 2.114 ( 5.735 -0.612 3.501) 6.747 2.165 ( 3.357 -2.424 -7.272) 8.368 2.334 ( 7.243 -1.045 -3.449) 8.090 3.017 ( -16.567 2.294 9.277) 19.126 3.095 ( -0.587 0.667 2.928) 3.060 3.520 ( 6.482 0.083 -10.774) 12.574 4.602 ( -6.839 -1.845 18.687) 19.985 4.925 ( -7.596 1.359 -2.890) 8.240 5.060 ( -0.513 2.445 -1.476) 2.902 5.143 ( 1.122 -2.726 -2.876) 4.118 5.437 ( 12.760 0.914 7.622) 14.891 5.791 ( 2.846 5.203 5.656) 8.195 5.915 ( 2.164 1.648 -4.845) 5.556 6.341 ( 0.868 7.887 -5.419) 9.609 6.560 ( -9.146 -1.150 5.494) 10.731 6.969 ( -6.073 -0.432 -4.963) 7.855 7.397 ( -21.102 1.561 20.037) 29.141 8.220 ( -1.457 1.623 -2.692) 3.465 8.370 ( 0.220 -6.511 1.251) 6.634 8.549 ( 1.271 -1.874 -3.789) 4.414 9.107 ( 0.430 -0.541 1.973) 2.090 9.145 ( 0.765 0.605 0.399) 1.054 10.815 ( -4.478 -1.239 7.081) 8.469 11.557 ( 0.842 1.681 -9.784) 9.963 12.209 ( 11.527 0.561 2.604) 11.830 12.593 ( 2.652 -0.097 -15.717) 15.939 13.024 ( 10.747 -1.856 8.995) 14.137 14.079 ( 31.099 2.859 -32.390) 44.994 23.563 ( -0.811 0.452 6.259) 6.327 24.106 ( -2.639 1.095 -9.934) 10.337 24.306 ( -19.272 9.111 30.400) 37.129 25.015 ( -3.455 -3.206 0.809) 4.782 ======================= Grid point 220 (71/124) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 6.511 -14.552 9.462) 18.539 1.620 ( 11.014 -5.742 7.201) 14.358 1.838 ( 4.504 -2.388 -0.695) 5.145 2.085 ( 1.678 1.542 -9.610) 9.877 2.241 ( 2.427 -3.320 -2.200) 4.664 2.292 ( 6.023 -2.785 13.846) 15.354 2.449 ( 6.516 -0.524 0.157) 6.539 2.776 ( -10.466 3.405 13.212) 17.196 3.065 ( -2.490 0.407 0.661) 2.608 3.600 ( 5.139 1.011 -9.810) 11.121 4.570 ( -5.316 -5.967 16.743) 18.552 4.823 ( -4.628 0.207 -1.738) 4.948 5.000 ( -4.053 -0.192 -1.545) 4.342 5.145 ( -3.801 -0.641 -5.178) 6.456 5.622 ( 14.223 2.310 6.424) 15.777 5.714 ( 0.378 8.465 6.709) 10.808 5.907 ( 2.096 4.661 -1.509) 5.329 6.170 ( -3.960 11.487 1.267) 12.216 6.474 ( -5.993 -0.979 1.489) 6.253 6.908 ( -3.975 -0.829 -6.062) 7.297 7.166 ( -9.150 0.528 22.280) 24.091 8.189 ( -0.356 1.173 -3.261) 3.484 8.482 ( 0.458 -8.373 -2.058) 8.635 8.590 ( 0.288 -2.429 -4.839) 5.422 9.114 ( -0.823 -0.697 2.055) 2.320 9.149 ( 1.192 0.824 0.490) 1.530 10.795 ( -1.493 -1.779 7.265) 7.627 11.538 ( 1.042 3.054 -8.634) 9.217 12.308 ( 4.161 0.576 1.318) 4.403 12.602 ( -1.775 -0.950 -12.481) 12.643 13.207 ( 10.051 -1.959 11.102) 15.103 14.353 ( 16.411 5.762 -28.259) 33.182 23.520 ( -3.020 2.090 7.629) 8.467 24.007 ( -5.991 4.715 25.068) 26.201 24.063 ( -4.519 1.189 -3.892) 6.081 25.002 ( -2.712 -1.752 -2.112) 3.858 ======================= Grid point 221 (72/124) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.971 -14.289 5.516) 16.104 1.824 ( 7.578 -3.690 1.631) 8.585 1.894 ( 1.588 -0.082 -1.706) 2.332 2.094 ( 2.149 2.432 -6.251) 7.043 2.288 ( -2.249 -2.337 8.576) 9.169 2.338 ( -0.352 -0.725 8.685) 8.722 2.514 ( 1.244 -0.946 -1.717) 2.322 2.665 ( -1.237 1.707 13.704) 13.865 3.019 ( -4.476 -1.023 0.879) 4.675 3.625 ( 0.907 1.576 -10.209) 10.369 4.608 ( -4.553 -9.566 10.763) 15.102 4.805 ( 1.015 -1.510 -0.098) 1.822 4.971 ( -3.215 -3.407 -1.346) 4.874 5.088 ( -5.102 -1.375 -4.289) 6.806 5.580 ( 0.069 10.238 6.849) 12.318 5.729 ( 1.632 1.493 4.333) 4.865 5.806 ( 2.650 16.039 3.712) 16.675 6.008 ( -2.285 3.304 0.990) 4.138 6.430 ( 1.149 0.705 2.292) 2.659 6.868 ( -4.080 -1.654 -3.912) 5.890 7.122 ( 2.182 -0.320 20.915) 21.031 8.174 ( -0.188 0.595 -3.347) 3.405 8.586 ( -0.189 -5.404 -4.595) 7.096 8.629 ( -0.034 -3.760 -4.613) 5.952 9.103 ( -1.887 -0.731 2.205) 2.993 9.155 ( 1.063 0.733 0.135) 1.298 10.814 ( 0.500 -1.819 7.016) 7.265 11.507 ( 1.223 3.629 -6.983) 7.964 12.324 ( -1.243 -0.060 0.854) 1.510 12.581 ( -3.643 -2.022 -11.053) 11.812 13.330 ( 4.502 -0.300 11.485) 12.339 14.405 ( 3.074 6.167 -21.872) 22.932 23.442 ( -3.012 1.853 10.582) 11.157 23.926 ( -1.254 1.009 26.146) 26.195 24.005 ( -2.223 0.611 -9.523) 9.798 24.992 ( -1.317 -1.134 -4.010) 4.370 ======================= Grid point 222 (73/124) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -2.891 -6.124 3.198) 7.490 1.870 ( -2.307 0.612 -1.912) 3.058 1.929 ( 2.137 -0.423 -0.282) 2.197 2.058 ( 0.879 4.710 -1.899) 5.154 2.304 ( -0.114 -1.273 16.887) 16.935 2.335 ( -1.664 -0.462 1.086) 2.040 2.506 ( -1.925 -0.654 0.930) 2.236 2.653 ( 1.379 0.119 9.953) 10.049 2.969 ( -5.887 -2.761 2.291) 6.894 3.591 ( -2.381 1.376 -11.141) 11.475 4.690 ( -2.186 -8.980 3.334) 9.825 4.873 ( 2.425 -2.987 -1.822) 4.257 5.006 ( -1.360 -6.339 0.825) 6.535 5.064 ( -3.290 -4.815 -1.571) 6.040 5.453 ( -1.363 6.516 6.939) 9.616 5.581 ( -0.523 14.189 8.104) 16.349 5.648 ( -5.572 7.160 5.086) 10.400 5.985 ( 0.638 -0.123 -2.067) 2.167 6.499 ( 8.198 0.296 2.684) 8.631 6.849 ( -1.768 -2.215 -1.534) 3.223 7.207 ( 8.783 -0.145 19.396) 21.293 8.166 ( -0.307 0.150 -2.600) 2.622 8.620 ( -0.873 -1.798 -5.369) 5.730 8.685 ( -0.227 -3.477 -4.330) 5.558 9.083 ( -2.607 -1.031 2.384) 3.680 9.157 ( 0.381 0.569 -0.442) 0.815 10.854 ( 2.234 -1.213 6.457) 6.939 11.480 ( 1.694 3.098 -5.628) 6.644 12.277 ( -5.607 -0.338 1.049) 5.714 12.558 ( -4.454 -2.897 -11.549) 12.713 13.334 ( -2.207 2.004 10.679) 11.088 14.288 ( -8.287 5.239 -17.370) 19.946 23.404 ( -0.812 -0.502 11.660) 11.699 23.902 ( -1.494 0.210 19.257) 19.316 23.997 ( 1.005 -0.875 -4.759) 4.942 24.999 ( 0.076 -1.266 -5.002) 5.160 ======================= Grid point 223 (74/124) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -11.804 5.656 4.068) 13.706 1.818 ( -7.873 -3.519 -3.524) 9.316 1.888 ( -4.213 8.618 4.329) 10.524 2.016 ( 0.626 2.290 -0.180) 2.381 2.249 ( -6.055 0.272 13.842) 15.111 2.282 ( -4.869 1.062 2.668) 5.652 2.489 ( -1.794 3.206 -2.278) 4.323 2.773 ( 11.853 -4.599 9.086) 15.627 2.948 ( -2.681 -4.318 4.677) 6.907 3.532 ( -3.197 1.131 -11.934) 12.407 4.761 ( -4.066 -5.646 -0.659) 6.989 4.916 ( 2.511 -0.116 -4.052) 4.768 5.085 ( 0.139 -3.812 4.056) 5.568 5.130 ( 0.074 -6.558 0.003) 6.559 5.356 ( -4.588 0.303 9.252) 10.332 5.446 ( -8.064 5.039 6.744) 11.658 5.469 ( 2.189 3.592 6.317) 7.589 6.007 ( 0.881 -1.006 -5.844) 5.995 6.608 ( 6.351 0.043 2.637) 6.877 6.892 ( 3.457 -2.517 -0.892) 4.368 7.372 ( 14.117 -0.696 19.452) 24.045 8.161 ( -0.386 -0.330 -0.916) 1.048 8.618 ( -1.639 -0.461 -4.765) 5.060 8.704 ( -0.306 0.160 -3.940) 3.955 9.060 ( -3.030 -1.574 2.502) 4.233 9.150 ( -0.529 0.303 -0.876) 1.067 10.913 ( 5.005 -0.270 5.647) 7.551 11.474 ( 2.334 1.948 -5.119) 5.953 12.177 ( -8.920 0.051 1.731) 9.087 12.526 ( -6.324 -2.978 -13.615) 15.304 13.224 ( -6.804 4.073 8.993) 11.989 14.037 ( -17.480 4.586 -14.723) 23.310 23.433 ( 1.191 -3.089 11.645) 12.107 23.888 ( -0.913 -1.281 16.652) 16.726 24.044 ( 2.409 -1.967 -1.271) 3.360 25.032 ( 1.538 -1.987 -5.315) 5.879 ======================= Grid point 224 (75/124) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -16.948 5.709 7.004) 19.207 1.622 ( -9.047 12.615 10.105) 18.523 1.761 ( -9.382 -5.120 -6.503) 12.511 1.935 ( -2.132 8.318 3.860) 9.414 2.132 ( -3.956 6.442 20.608) 21.951 2.237 ( -2.254 -1.484 -7.081) 7.578 2.377 ( -4.495 5.158 -4.083) 7.968 2.914 ( -2.631 -5.673 7.161) 9.507 3.128 ( 17.221 -4.929 3.927) 18.338 3.478 ( -2.214 1.123 -12.458) 12.703 4.708 ( -10.092 -3.199 3.932) 11.293 4.946 ( 3.193 7.470 4.840) 9.456 5.083 ( 4.112 0.945 1.459) 4.465 5.205 ( -2.737 -4.180 1.018) 5.099 5.249 ( -5.966 0.091 6.513) 8.832 5.447 ( -0.955 -9.272 1.488) 9.439 5.519 ( -0.035 -7.880 3.578) 8.654 6.035 ( -0.172 -2.788 -9.828) 10.218 6.670 ( 3.068 0.092 3.783) 4.872 7.002 ( 6.155 -2.575 -1.207) 6.780 7.633 ( 19.213 -3.206 19.174) 27.333 8.166 ( -0.340 -1.268 1.746) 2.184 8.583 ( -2.891 1.045 -4.121) 5.141 8.677 ( 0.255 3.594 -2.452) 4.359 9.042 ( -3.265 -2.194 2.535) 4.680 9.135 ( -1.099 0.005 -1.029) 1.506 11.013 ( 9.570 0.394 4.224) 10.468 11.491 ( 2.981 1.153 -5.168) 6.077 12.022 ( -11.546 1.426 2.384) 11.876 12.438 ( -11.831 -1.640 -16.015) 19.978 13.057 ( -7.100 5.016 6.652) 10.946 13.684 ( -21.760 5.405 -11.929) 25.397 23.508 ( 1.746 -3.918 9.630) 10.542 23.931 ( 0.955 -5.932 17.547) 18.548 24.114 ( 2.746 -3.179 1.656) 4.516 25.099 ( 3.087 -3.058 -4.982) 6.611 ======================= Grid point 225 (76/124) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -15.177 2.577 13.274) 20.327 1.321 ( -4.802 16.343 13.675) 21.844 1.718 ( -5.916 -4.166 -9.940) 12.295 1.770 ( -3.940 7.294 6.627) 10.613 1.968 ( -2.546 10.495 27.294) 29.353 2.216 ( -0.584 3.576 -7.569) 8.391 2.274 ( -2.485 0.310 -12.313) 12.565 2.945 ( -2.516 -4.834 9.323) 10.799 3.407 ( 7.550 -1.885 -7.093) 10.529 3.456 ( 5.248 -1.032 -9.153) 10.601 4.588 ( -11.343 -2.092 12.454) 16.974 4.882 ( 4.531 4.465 14.810) 16.119 5.120 ( -6.288 -1.271 4.237) 7.688 5.188 ( 5.267 -0.541 -2.072) 5.686 5.256 ( 0.432 -0.151 -1.364) 1.439 5.542 ( -1.112 -6.774 1.575) 7.043 5.647 ( -2.384 -11.456 -4.792) 12.645 6.093 ( -0.416 -6.667 -11.442) 13.249 6.704 ( 1.681 -0.394 5.091) 5.376 7.109 ( 4.034 -1.923 -1.686) 4.776 7.982 ( 18.476 -5.415 13.678) 23.617 8.202 ( 1.490 -5.237 7.182) 9.013 8.514 ( -3.499 1.959 -3.632) 5.410 8.615 ( 0.263 6.097 0.064) 6.103 9.027 ( -3.129 -2.464 2.404) 4.652 9.124 ( -0.600 -0.363 -1.012) 1.231 11.179 ( 14.661 0.557 1.563) 14.755 11.525 ( 4.106 1.284 -4.777) 6.429 11.815 ( -12.527 3.884 1.453) 13.195 12.197 ( -21.754 2.528 -14.121) 26.058 12.913 ( -3.725 4.353 4.290) 7.158 13.329 ( -14.401 6.643 -7.532) 17.557 23.564 ( 0.655 -1.512 7.135) 7.323 24.064 ( 1.331 -8.037 2.182) 8.433 24.241 ( 3.559 -11.884 18.750) 22.482 25.198 ( 3.753 -3.885 -4.295) 6.901 ======================= Grid point 226 (77/124) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.000 1.105 18.120) 18.154 1.058 ( -0.000 16.786 16.441) 23.496 1.606 ( -0.000 8.603 3.608) 9.328 1.771 ( 0.000 -6.621 -7.465) 9.978 1.801 ( -0.000 9.939 32.819) 34.291 2.151 ( -0.000 3.779 -6.800) 7.780 2.271 ( 0.000 -0.514 -17.681) 17.688 2.982 ( 0.000 -3.485 9.810) 10.411 3.405 ( -0.000 1.315 -13.927) 13.989 3.591 ( 0.000 -3.014 -8.455) 8.976 4.510 ( 0.000 -1.312 19.410) 19.454 4.955 ( 0.000 -4.631 14.426) 15.151 5.057 ( 0.000 -0.104 3.325) 3.327 5.236 ( -0.000 0.029 -1.922) 1.922 5.249 ( -0.000 1.405 -2.815) 3.146 5.599 ( 0.000 -3.220 5.316) 6.215 5.753 ( 0.000 -7.084 -11.965) 13.905 6.197 ( 0.000 -8.316 -11.153) 13.912 6.731 ( 0.000 -1.737 6.192) 6.431 7.157 ( 0.000 -0.780 -2.304) 2.432 8.127 ( 0.000 -0.566 3.946) 3.986 8.438 ( 0.000 -15.293 11.894) 19.374 8.445 ( -0.000 2.080 -5.259) 5.655 8.521 ( -0.000 7.147 2.856) 7.697 9.033 ( 0.000 -2.259 2.048) 3.049 9.127 ( 0.000 -0.364 -0.893) 0.965 11.331 ( -0.000 3.948 -2.703) 4.785 11.577 ( -0.000 2.012 -7.155) 7.432 11.583 ( -0.000 3.385 4.482) 5.616 11.905 ( -0.000 5.194 -4.634) 6.961 12.838 ( -0.000 2.979 3.139) 4.328 13.142 ( -0.000 5.684 -5.196) 7.702 23.575 ( -0.000 0.043 6.735) 6.735 24.139 ( 0.000 -2.720 -9.526) 9.907 24.538 ( 0.000 -24.226 23.531) 33.773 25.284 ( 0.000 -3.020 -3.844) 4.888 ======================= Grid point 229 (78/124) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 7.541 -0.000 14.722) 16.541 1.537 ( 13.135 -0.000 8.982) 15.912 1.801 ( 6.940 -0.000 -0.121) 6.941 2.081 ( -2.147 0.000 -15.284) 15.434 2.214 ( 3.602 -0.000 -0.827) 3.696 2.242 ( 8.343 -0.000 10.841) 13.680 2.445 ( 7.375 -0.000 3.733) 8.266 2.827 ( -11.445 0.000 12.725) 17.115 3.067 ( -4.058 0.000 -0.020) 4.058 3.616 ( 5.922 -0.000 -9.848) 11.491 4.496 ( -6.216 0.000 19.743) 20.698 4.826 ( -5.866 0.000 -1.714) 6.111 5.002 ( -6.769 0.000 -1.032) 6.847 5.137 ( -2.428 0.000 -6.930) 7.343 5.644 ( 13.136 -0.000 6.567) 14.686 5.863 ( 1.947 -0.000 8.605) 8.822 5.946 ( 1.241 -0.000 -1.981) 2.337 6.379 ( -11.867 0.000 8.086) 14.360 6.433 ( 2.117 -0.000 -6.148) 6.502 6.891 ( -3.918 0.000 -5.938) 7.114 7.191 ( -9.861 0.000 20.002) 22.301 8.230 ( 0.445 -0.000 -6.270) 6.286 8.316 ( -0.460 0.000 2.324) 2.369 8.550 ( 0.639 -0.000 -5.648) 5.684 9.104 ( -0.464 0.000 2.723) 2.762 9.160 ( 0.806 -0.000 0.230) 0.838 10.769 ( -1.206 0.000 7.598) 7.693 11.585 ( 1.398 -0.000 -10.380) 10.474 12.316 ( 3.300 -0.000 1.282) 3.540 12.585 ( -2.784 0.000 -11.598) 11.928 13.178 ( 11.777 -0.000 11.818) 16.684 14.450 ( 17.213 -0.000 -34.886) 38.901 23.547 ( -2.310 0.000 6.227) 6.642 24.071 ( -3.262 0.000 -10.100) 10.613 24.107 ( -14.376 0.000 32.314) 35.367 24.964 ( -1.411 0.000 -0.200) 1.425 ======================= Grid point 230 (79/124) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 7.395 -8.856 10.907) 15.877 1.736 ( 12.293 -2.023 4.334) 13.190 1.888 ( 4.392 -0.247 -1.973) 4.822 2.081 ( 0.303 -2.163 -12.882) 13.066 2.253 ( 1.849 0.370 2.734) 3.322 2.308 ( -0.121 -1.110 12.035) 12.087 2.502 ( 0.638 -0.063 1.089) 1.263 2.717 ( -2.810 1.357 13.497) 13.853 2.990 ( -7.276 -0.790 -0.225) 7.322 3.663 ( 1.339 0.894 -10.694) 10.814 4.433 ( -5.259 -2.955 18.705) 19.654 4.784 ( -0.224 -0.360 -1.371) 1.435 4.911 ( -6.244 -1.000 -0.938) 6.393 5.072 ( -5.974 -0.132 -6.741) 9.008 5.695 ( -7.377 0.427 6.174) 9.629 5.889 ( 8.313 6.370 8.263) 13.340 5.961 ( 1.734 0.594 -0.727) 1.972 6.230 ( -2.210 5.881 8.435) 10.518 6.455 ( 1.818 0.514 -4.414) 4.801 6.849 ( -2.338 0.675 -3.802) 4.514 7.116 ( -0.257 0.026 18.889) 18.891 8.212 ( 0.320 2.555 -4.227) 4.950 8.373 ( -0.150 -7.674 -1.690) 7.859 8.564 ( -0.149 -1.367 -6.678) 6.819 9.091 ( -1.532 -0.195 3.020) 3.392 9.168 ( 0.559 0.248 -0.263) 0.666 10.773 ( 0.631 -0.903 7.694) 7.773 11.595 ( 1.899 2.036 -9.884) 10.268 12.320 ( -2.326 -0.154 0.870) 2.488 12.533 ( -5.100 -1.098 -9.175) 10.554 13.322 ( 7.444 -0.191 12.643) 14.673 14.563 ( 3.168 3.857 -29.002) 29.429 23.489 ( -4.564 1.123 8.362) 9.592 23.961 ( -4.687 1.151 29.040) 29.438 24.020 ( -3.402 0.363 -9.774) 10.355 24.957 ( -0.964 -1.073 -2.260) 2.681 ======================= Grid point 231 (80/124) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 4.796 -11.913 7.048) 14.649 1.888 ( 2.927 -0.343 -1.519) 3.315 1.920 ( 0.860 0.241 -2.530) 2.684 2.129 ( 1.223 -1.229 -11.354) 11.485 2.246 ( -0.172 -0.550 16.314) 16.324 2.322 ( 0.848 -0.813 6.316) 6.424 2.480 ( -3.528 -0.917 3.214) 4.860 2.686 ( 0.853 1.824 8.105) 8.351 2.893 ( -9.091 -2.495 1.869) 9.610 3.636 ( -2.247 1.558 -12.109) 12.414 4.434 ( -4.008 -6.966 15.656) 17.598 4.806 ( -0.904 -2.091 -2.352) 3.274 4.883 ( 0.531 -2.350 -0.398) 2.442 4.995 ( -5.907 -1.315 -5.264) 8.020 5.515 ( -14.942 -0.055 8.510) 17.196 5.857 ( 3.523 10.704 8.964) 14.399 5.976 ( 1.586 0.650 -2.735) 3.228 6.118 ( 3.212 14.090 4.277) 15.072 6.503 ( 5.554 -0.277 -0.514) 5.584 6.812 ( -0.831 0.340 0.370) 0.971 7.177 ( 6.387 -1.714 17.175) 18.404 8.184 ( -0.284 1.479 -2.537) 2.950 8.486 ( -0.056 -8.323 -4.227) 9.335 8.582 ( -0.824 -2.326 -6.694) 7.135 9.066 ( -2.384 -0.257 3.094) 3.915 9.168 ( -0.201 0.265 -0.944) 1.001 10.807 ( 1.719 -1.678 7.404) 7.784 11.586 ( 2.674 3.725 -8.647) 9.788 12.267 ( -5.584 -0.497 1.014) 5.697 12.482 ( -5.209 -2.240 -8.550) 10.260 13.376 ( 0.780 1.043 11.789) 11.861 14.458 ( -7.728 5.936 -21.959) 24.024 23.412 ( -3.677 0.758 10.628) 11.272 23.917 ( -1.313 0.768 20.697) 20.753 23.980 ( -1.504 -0.450 -5.681) 5.894 24.963 ( -0.410 -1.259 -3.990) 4.204 ======================= Grid point 232 (81/124) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -2.299 -6.860 3.432) 8.007 1.779 ( -14.557 1.292 -1.702) 14.713 1.914 ( -2.699 -2.711 -1.824) 4.238 2.121 ( -1.789 4.298 0.866) 4.736 2.244 ( -3.041 -2.334 12.874) 13.432 2.328 ( 0.722 2.192 2.082) 3.108 2.524 ( 5.988 -0.582 0.436) 6.032 2.693 ( 3.274 -0.599 7.077) 7.821 2.829 ( -4.711 -4.226 5.138) 8.151 3.574 ( -2.824 1.747 -13.278) 13.687 4.505 ( -3.466 -10.555 10.722) 15.439 4.818 ( -3.947 -5.328 -2.461) 7.073 4.922 ( -4.983 -3.621 -0.051) 6.160 4.992 ( 5.032 -2.517 -2.129) 6.016 5.322 ( -13.392 -1.841 9.541) 16.546 5.732 ( 2.044 12.027 8.713) 14.991 5.912 ( 1.855 20.699 5.277) 21.441 5.991 ( 0.459 -0.307 -7.591) 7.611 6.595 ( 5.023 -1.076 1.674) 5.403 6.836 ( 3.572 -1.199 1.149) 3.940 7.325 ( 10.123 -2.617 17.652) 20.516 8.163 ( -0.713 0.546 -0.598) 1.079 8.570 ( -0.897 -3.622 -5.838) 6.928 8.616 ( -0.797 -5.249 -5.550) 7.681 9.033 ( -2.862 -0.413 3.120) 4.254 9.155 ( -1.278 0.124 -1.451) 1.938 10.867 ( 2.802 -2.445 6.730) 7.689 11.576 ( 4.155 4.551 -7.312) 9.563 12.180 ( -7.163 -0.074 1.397) 7.298 12.445 ( -4.719 -2.449 -9.493) 10.880 13.320 ( -4.648 2.790 9.846) 11.239 14.204 ( -15.294 6.721 -16.488) 23.472 23.377 ( -1.452 -1.048 11.432) 11.572 23.884 ( -1.639 0.636 10.798) 10.940 23.995 ( 1.008 -1.637 2.356) 3.041 24.980 ( 0.196 -1.634 -5.168) 5.424 ======================= Grid point 233 (82/124) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -22.250 3.251 2.865) 22.668 1.602 ( -11.883 -4.627 -2.759) 13.047 1.904 ( -5.484 3.145 9.286) 11.234 2.026 ( -0.246 -1.208 1.162) 1.694 2.233 ( 0.044 4.022 6.661) 7.781 2.279 ( -0.523 3.828 3.348) 5.112 2.511 ( -2.187 4.020 -2.093) 5.033 2.757 ( -3.034 -5.388 7.424) 9.662 2.984 ( 15.941 -5.349 4.196) 17.330 3.517 ( -1.886 1.683 -13.777) 14.007 4.568 ( -8.622 -8.093 6.661) 13.572 4.837 ( -3.814 -8.976 0.794) 9.785 4.963 ( -1.599 -9.578 2.851) 10.121 5.113 ( 6.402 -2.044 -2.317) 7.109 5.190 ( -10.027 -2.532 7.564) 12.813 5.606 ( 1.961 13.166 5.855) 14.542 5.642 ( 0.857 17.514 9.139) 19.774 5.995 ( -0.927 -0.780 -12.719) 12.776 6.661 ( 2.691 -0.750 3.113) 4.183 6.932 ( 5.819 -2.311 0.662) 6.296 7.532 ( 12.630 -4.182 18.743) 22.985 8.148 ( -1.148 -0.172 1.950) 2.269 8.575 ( -2.384 -1.310 -5.878) 6.477 8.677 ( 0.010 -3.671 -4.930) 6.146 8.999 ( -3.011 -0.754 3.261) 4.502 9.131 ( -1.929 -0.171 -1.548) 2.480 10.956 ( 4.224 -3.592 5.553) 7.848 11.587 ( 6.537 4.787 -6.334) 10.284 12.066 ( -7.945 1.304 1.424) 8.177 12.400 ( -5.673 -0.793 -10.842) 12.262 13.188 ( -6.437 4.283 7.331) 10.655 13.865 ( -18.276 7.262 -12.394) 23.246 23.399 ( 0.210 -3.260 11.968) 12.406 23.863 ( -0.954 -0.371 10.820) 10.868 24.041 ( 1.490 -2.392 2.543) 3.795 25.016 ( 0.804 -2.631 -5.879) 6.491 ======================= Grid point 234 (83/124) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -21.069 1.343 8.946) 22.929 1.528 ( -7.688 -5.629 -5.653) 11.079 1.716 ( -4.177 11.175 14.544) 18.811 2.055 ( 1.787 7.476 1.488) 7.829 2.153 ( -2.741 -2.286 -2.796) 4.534 2.226 ( 1.118 6.066 10.964) 12.580 2.399 ( -3.191 6.009 -3.094) 7.474 2.793 ( -2.389 -5.892 9.677) 11.579 3.288 ( 14.034 -5.476 -2.893) 15.340 3.475 ( -1.064 1.420 -13.442) 13.558 4.501 ( -9.939 -4.650 12.837) 16.888 4.975 ( 0.787 -10.626 -0.467) 10.666 5.065 ( -2.149 -3.442 2.116) 4.576 5.118 ( -4.299 -5.821 5.447) 9.057 5.207 ( 3.643 -0.658 -2.200) 4.306 5.393 ( -0.275 10.150 11.035) 14.995 5.549 ( 1.653 5.249 3.946) 6.772 5.994 ( -1.274 -1.761 -16.474) 16.617 6.696 ( 1.258 -0.373 4.025) 4.234 7.041 ( 4.014 -2.803 0.023) 4.896 7.792 ( 12.527 -7.427 19.854) 24.622 8.134 ( -2.005 -0.873 4.587) 5.081 8.544 ( -2.928 0.221 -6.244) 6.900 8.708 ( 0.486 -0.107 -3.597) 3.631 8.972 ( -2.560 -1.247 3.534) 4.539 9.111 ( -1.370 -0.512 -1.392) 2.019 11.084 ( 4.728 -5.627 3.701) 8.229 11.635 ( 9.884 5.134 -5.328) 12.347 11.919 ( -8.517 3.201 -0.703) 9.125 12.280 ( -9.228 3.635 -10.155) 14.195 13.045 ( -4.149 4.948 5.005) 8.170 13.530 ( -13.005 7.730 -8.905) 17.555 23.464 ( 0.734 -4.909 11.537) 12.560 23.874 ( -0.130 -2.905 14.057) 14.355 24.098 ( 1.122 -3.120 1.783) 3.765 25.076 ( 1.114 -4.209 -6.072) 7.472 ======================= Grid point 235 (84/124) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 0.199 14.690) 14.691 1.505 ( -0.000 14.754 15.002) 21.042 1.563 ( 0.000 -7.512 -7.710) 10.764 1.905 ( -0.000 12.230 4.075) 12.891 2.108 ( -0.000 10.273 20.386) 22.828 2.216 ( 0.000 -4.034 -10.477) 11.226 2.288 ( -0.000 6.062 -5.570) 8.233 2.854 ( 0.000 -5.654 10.367) 11.809 3.441 ( -0.000 1.404 -12.633) 12.711 3.477 ( 0.000 -5.151 -8.049) 9.556 4.472 ( 0.000 -2.711 17.865) 18.069 4.998 ( -0.000 6.595 9.938) 11.927 5.050 ( 0.000 -0.520 2.708) 2.757 5.205 ( 0.000 -7.322 0.849) 7.371 5.236 ( -0.000 0.003 -2.557) 2.557 5.411 ( 0.000 -10.051 2.026) 10.253 5.532 ( 0.000 -1.879 1.887) 2.663 6.019 ( 0.000 -3.587 -15.946) 16.345 6.709 ( 0.000 -0.362 4.569) 4.583 7.108 ( 0.000 -2.553 -0.783) 2.670 8.048 ( 0.000 -12.300 21.116) 24.437 8.114 ( 0.000 -0.335 4.800) 4.812 8.502 ( -0.000 1.739 -6.802) 7.021 8.689 ( -0.000 3.594 -1.576) 3.924 8.971 ( 0.000 -1.861 3.455) 3.924 9.110 ( 0.000 -0.734 -1.246) 1.446 11.219 ( 0.000 -7.423 1.422) 7.558 11.703 ( -0.000 5.128 5.406) 7.451 11.744 ( -0.000 5.570 -14.936) 15.941 12.091 ( -0.000 7.970 -5.562) 9.719 12.948 ( -0.000 4.811 3.818) 6.142 13.329 ( -0.000 7.602 -6.839) 10.226 23.534 ( 0.000 -3.848 8.991) 9.780 23.949 ( 0.000 -8.204 15.281) 17.344 24.158 ( 0.000 -4.674 4.664) 6.603 25.153 ( 0.000 -5.398 -5.646) 7.811 ======================= Grid point 240 (85/124) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 7.335 -0.000 10.056) 12.447 1.875 ( 6.777 -0.000 -0.813) 6.826 1.928 ( 0.399 -0.000 -3.417) 3.440 2.077 ( 1.297 -0.000 -11.666) 11.738 2.265 ( -2.540 0.000 17.490) 17.674 2.302 ( 3.969 -0.000 2.501) 4.691 2.467 ( -4.470 0.000 4.113) 6.075 2.716 ( 0.968 -0.000 7.997) 8.055 2.855 ( -10.336 0.000 1.167) 10.402 3.660 ( -2.268 0.000 -12.287) 12.495 4.342 ( -4.712 0.000 18.936) 19.513 4.774 ( -4.021 0.000 -2.200) 4.584 4.857 ( 2.867 -0.000 -0.969) 3.027 4.977 ( -7.212 0.000 -5.910) 9.324 5.512 ( -16.423 0.000 8.495) 18.490 5.979 ( 0.886 -0.000 -3.613) 3.720 6.038 ( 4.889 -0.000 12.534) 13.454 6.311 ( 6.373 -0.000 8.948) 10.985 6.481 ( 2.244 -0.000 -5.900) 6.313 6.852 ( 0.248 -0.000 -2.513) 2.525 7.145 ( 4.779 -0.000 17.173) 17.826 8.271 ( 2.183 -0.000 -7.536) 7.846 8.278 ( -2.259 0.000 1.532) 2.729 8.549 ( -0.653 0.000 -7.489) 7.517 9.064 ( -2.173 0.000 3.238) 3.900 9.171 ( -0.389 0.000 -1.084) 1.152 10.782 ( 1.481 -0.000 7.789) 7.928 11.643 ( 2.844 -0.000 -10.695) 11.066 12.257 ( -5.820 0.000 1.314) 5.967 12.451 ( -4.870 0.000 -7.124) 8.630 13.390 ( 1.875 -0.000 12.378) 12.519 14.548 ( -8.361 0.000 -24.781) 26.154 23.426 ( -4.961 0.000 9.867) 11.044 23.931 ( -0.641 0.000 25.361) 25.369 23.973 ( -3.417 0.000 -9.633) 10.221 24.943 ( -0.120 0.000 -3.252) 3.255 ======================= Grid point 241 (86/124) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 5.098 -6.039 7.139) 10.651 1.819 ( -15.748 0.923 -2.630) 15.993 1.880 ( -7.123 -0.222 -4.086) 8.215 2.110 ( 1.574 -2.860 -10.318) 10.822 2.228 ( -4.211 0.918 19.846) 20.309 2.371 ( 5.762 0.801 2.617) 6.379 2.489 ( 9.727 -1.084 4.950) 10.967 2.709 ( -7.272 0.105 3.894) 8.250 2.747 ( 0.108 -0.964 4.636) 4.736 3.614 ( -2.886 0.913 -13.537) 13.871 4.304 ( -4.203 -3.737 17.363) 18.251 4.711 ( -5.419 -2.075 -1.442) 5.979 4.866 ( -9.355 -0.937 -2.070) 9.627 4.951 ( 7.835 -0.736 -3.224) 8.504 5.287 ( -14.683 -0.671 9.992) 17.773 5.979 ( -1.191 0.443 -7.461) 7.569 6.031 ( 2.507 6.916 13.641) 15.498 6.344 ( 5.100 8.774 5.029) 11.326 6.545 ( 4.118 -2.224 -1.728) 4.989 6.845 ( 1.611 1.539 0.536) 2.292 7.255 ( 8.601 -1.824 15.306) 17.652 8.204 ( -1.429 2.825 -0.120) 3.168 8.375 ( 0.687 -7.715 -5.259) 9.362 8.544 ( -1.259 -1.094 -7.167) 7.359 9.031 ( -2.394 0.061 2.999) 3.838 9.157 ( -1.553 0.053 -1.669) 2.281 10.813 ( 1.744 -1.157 7.586) 7.870 11.675 ( 3.826 2.104 -10.976) 11.813 12.169 ( -6.827 -0.487 2.242) 7.202 12.406 ( -1.969 -0.560 -6.638) 6.946 13.371 ( -3.441 0.967 10.598) 11.185 14.349 ( -15.897 3.115 -19.468) 25.326 23.365 ( -3.371 -0.089 10.510) 11.038 23.912 ( -1.691 1.308 4.832) 5.284 23.953 ( -0.063 -1.481 8.235) 8.368 24.949 ( 0.188 -0.634 -4.366) 4.416 ======================= Grid point 242 (87/124) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -10.555 -1.552 1.598) 10.787 1.489 ( -19.667 -2.428 0.058) 19.816 1.782 ( -7.959 -4.288 -2.749) 9.449 2.128 ( -3.276 3.413 10.124) 11.175 2.198 ( 1.833 -4.096 3.469) 5.672 2.416 ( 4.436 4.135 2.277) 6.478 2.594 ( -3.781 0.974 2.549) 4.663 2.647 ( 1.273 -1.667 3.865) 4.397 2.861 ( 14.005 -3.203 4.079) 14.934 3.562 ( -2.042 1.453 -14.295) 14.513 4.320 ( -5.189 -7.655 14.510) 17.207 4.677 ( -6.756 -3.578 0.437) 7.657 4.756 ( -8.160 -4.962 5.480) 11.011 5.080 ( 8.391 -0.725 -4.228) 9.424 5.134 ( -9.124 -1.473 7.137) 11.678 5.896 ( -0.893 8.102 6.295) 10.299 5.991 ( -0.087 1.946 -7.200) 7.459 6.206 ( 1.716 17.823 5.128) 18.625 6.629 ( 3.611 -1.561 1.386) 4.171 6.883 ( 3.786 -1.235 1.632) 4.304 7.422 ( 9.558 -3.399 15.354) 18.402 8.156 ( -1.863 0.904 2.215) 3.032 8.492 ( 0.569 -7.423 -5.731) 9.395 8.542 ( -1.798 -2.174 -6.613) 7.190 8.996 ( -2.191 0.266 2.743) 3.521 9.129 ( -2.218 -0.002 -1.805) 2.860 10.864 ( 1.872 -2.683 7.071) 7.792 11.700 ( 5.078 3.024 -10.495) 12.045 12.079 ( -6.662 -0.154 2.685) 7.185 12.403 ( 1.100 0.747 -7.195) 7.317 13.279 ( -5.802 2.339 7.972) 10.133 14.043 ( -18.422 5.139 -14.868) 24.224 23.339 ( -1.492 -1.252 10.751) 10.926 23.873 ( -1.431 0.871 1.789) 2.451 23.983 ( 0.866 -1.833 10.085) 10.286 24.964 ( 0.282 -1.180 -5.314) 5.451 ======================= Grid point 243 (88/124) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -25.101 0.910 5.163) 25.643 1.420 ( -6.953 -2.240 -5.911) 9.397 1.809 ( -2.333 -7.284 4.019) 8.640 2.037 ( -1.089 4.158 10.542) 11.384 2.273 ( 1.662 -2.303 2.979) 4.116 2.365 ( 0.614 8.245 2.393) 8.607 2.526 ( -2.512 2.190 2.135) 3.958 2.664 ( -1.062 -2.178 5.901) 6.379 3.141 ( 14.393 -4.871 -2.758) 15.443 3.519 ( -1.147 1.630 -14.301) 14.439 4.329 ( -8.689 -7.702 14.978) 18.952 4.654 ( -3.871 -8.343 7.892) 12.119 4.807 ( -1.371 -9.756 4.233) 10.723 5.054 ( -5.262 -1.395 3.839) 6.661 5.192 ( 5.652 -0.371 -3.945) 6.902 5.771 ( 0.470 9.462 7.950) 12.368 5.936 ( 0.334 20.245 3.507) 20.549 5.967 ( -1.730 1.827 -12.930) 13.173 6.683 ( 1.872 -0.560 2.755) 3.377 6.964 ( 3.112 -2.797 1.490) 4.442 7.608 ( 7.607 -5.733 16.934) 19.429 8.125 ( -1.798 0.028 4.534) 4.877 8.528 ( -1.548 -1.150 -6.090) 6.388 8.608 ( 0.238 -6.638 -6.068) 8.996 8.964 ( -1.596 0.418 2.895) 3.332 9.101 ( -1.616 -0.173 -1.632) 2.303 10.939 ( 1.625 -4.543 6.193) 7.850 11.746 ( 7.063 2.583 -9.633) 12.221 11.976 ( -7.041 1.344 1.882) 7.411 12.392 ( 1.102 4.193 -7.559) 8.714 13.164 ( -4.192 3.554 5.525) 7.793 13.728 ( -13.420 6.379 -11.229) 18.624 23.355 ( -0.273 -2.824 11.400) 11.748 23.851 ( -0.602 0.253 4.916) 4.959 24.023 ( 0.649 -2.370 6.922) 7.345 24.990 ( 0.282 -2.091 -6.024) 6.383 ======================= Grid point 244 (89/124) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 -0.176 10.082) 10.084 1.402 ( 0.000 -3.812 -7.483) 8.399 1.811 ( -0.000 5.416 15.232) 16.166 2.037 ( 0.000 -5.394 -2.389) 5.899 2.231 ( -0.000 11.067 2.916) 11.445 2.294 ( -0.000 1.644 7.519) 7.696 2.454 ( -0.000 5.340 -2.084) 5.732 2.702 ( 0.000 -4.759 9.659) 10.768 3.328 ( 0.000 -5.470 -7.737) 9.476 3.485 ( -0.000 1.767 -13.353) 13.469 4.346 ( 0.000 -6.220 18.671) 19.680 4.790 ( 0.000 -13.841 4.663) 14.606 4.948 ( 0.000 -11.576 4.149) 12.297 5.029 ( 0.000 -0.968 2.438) 2.623 5.236 ( 0.000 -0.039 -3.332) 3.332 5.627 ( -0.000 19.237 7.829) 20.769 5.662 ( -0.000 10.772 8.168) 13.518 5.961 ( 0.000 -1.292 -19.716) 19.758 6.700 ( 0.000 -0.277 3.671) 3.681 7.030 ( 0.000 -3.093 0.825) 3.202 7.769 ( 0.000 -8.434 19.442) 21.193 8.109 ( 0.000 -0.041 5.378) 5.378 8.524 ( 0.000 -0.200 -6.843) 6.846 8.683 ( 0.000 -3.898 -5.047) 6.377 8.946 ( -0.000 0.058 3.455) 3.455 9.093 ( 0.000 -0.420 -1.469) 1.528 11.027 ( 0.000 -6.247 4.958) 7.975 11.823 ( -0.000 0.601 -15.608) 15.620 11.842 ( -0.000 4.762 6.564) 8.109 12.310 ( -0.000 7.577 -6.666) 10.092 13.078 ( -0.000 4.397 4.411) 6.229 13.535 ( -0.000 7.148 -9.037) 11.522 23.404 ( 0.000 -4.341 12.101) 12.856 23.850 ( 0.000 -0.739 9.301) 9.330 24.064 ( 0.000 -2.877 3.741) 4.719 25.030 ( 0.000 -3.392 -6.356) 7.204 ======================= Grid point 251 (90/124) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 3.557 -0.000 4.426) 5.678 1.483 ( -29.795 0.000 -0.614) 29.801 1.735 ( -11.804 0.000 -5.001) 12.820 2.118 ( 2.132 -0.000 -9.168) 9.413 2.179 ( -2.937 0.000 21.451) 21.651 2.472 ( 6.481 -0.000 2.284) 6.871 2.578 ( -7.611 0.000 7.830) 10.920 2.650 ( 8.557 -0.000 -0.330) 8.563 2.821 ( 11.024 -0.000 3.348) 11.522 3.584 ( -2.141 0.000 -14.260) 14.420 4.213 ( -5.177 0.000 17.304) 18.062 4.626 ( -4.236 0.000 -0.984) 4.349 4.692 ( -13.038 0.000 6.889) 14.746 5.070 ( 8.911 -0.000 -4.771) 10.108 5.113 ( -8.987 0.000 7.299) 11.578 5.950 ( -3.321 0.000 -14.550) 14.924 6.099 ( 0.532 -0.000 18.953) 18.961 6.472 ( 3.635 -0.000 6.124) 7.121 6.594 ( 5.089 -0.000 -2.936) 5.876 6.867 ( 0.681 -0.000 1.809) 1.933 7.374 ( 9.485 -0.000 12.394) 15.607 8.188 ( -3.906 0.000 3.492) 5.240 8.339 ( 2.352 -0.000 -7.223) 7.596 8.517 ( -1.431 0.000 -6.295) 6.455 9.001 ( -1.852 0.000 2.334) 2.979 9.129 ( -2.259 0.000 -1.882) 2.941 10.826 ( 1.311 -0.000 7.512) 7.625 11.741 ( 3.417 -0.000 -13.284) 13.716 12.074 ( -5.749 0.000 4.635) 7.385 12.417 ( 3.634 -0.000 -6.264) 7.241 13.311 ( -5.554 0.000 8.250) 9.945 14.117 ( -18.938 0.000 -16.121) 24.870 23.323 ( -2.189 0.000 10.091) 10.326 23.893 ( -2.053 0.000 -9.408) 9.630 23.952 ( 1.100 -0.000 21.123) 21.151 24.949 ( 0.338 -0.000 -4.884) 4.896 ======================= Grid point 252 (91/124) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -26.823 0.435 3.094) 27.004 1.378 ( -2.110 -1.240 -4.163) 4.829 1.619 ( -5.606 -4.035 -0.485) 6.924 2.131 ( -1.145 1.301 5.756) 6.011 2.174 ( 1.349 -2.537 8.373) 8.852 2.501 ( -4.262 -1.052 10.442) 11.327 2.529 ( 3.642 2.783 2.467) 5.205 2.688 ( 0.676 1.460 -1.401) 2.133 3.044 ( 14.612 -1.983 -2.837) 15.017 3.555 ( -1.111 0.844 -14.604) 14.670 4.154 ( -6.762 -3.827 18.075) 19.674 4.536 ( -7.540 -1.233 13.189) 15.242 4.611 ( -2.646 -4.267 2.115) 5.448 5.025 ( -4.432 -0.594 3.842) 5.896 5.185 ( 6.418 -0.149 -4.679) 7.944 5.896 ( -3.441 0.304 -17.329) 17.670 6.064 ( 0.268 5.193 16.540) 17.338 6.429 ( 1.223 11.240 5.559) 12.599 6.664 ( 3.085 -0.752 -1.286) 3.426 6.893 ( 1.206 -2.122 2.742) 3.671 7.504 ( 6.581 -1.704 11.496) 13.356 8.132 ( -2.716 0.431 4.759) 5.497 8.409 ( 1.155 -5.659 -6.747) 8.881 8.503 ( -1.157 -0.660 -5.364) 5.526 8.978 ( -1.059 0.393 1.852) 2.169 9.100 ( -1.663 0.009 -1.767) 2.427 10.852 ( 0.809 -1.670 7.223) 7.458 11.778 ( 2.524 0.232 -14.036) 14.263 12.005 ( -3.789 0.665 6.320) 7.399 12.479 ( 5.457 1.825 -7.163) 9.188 13.230 ( -4.127 1.257 5.820) 7.245 13.853 ( -14.210 2.503 -13.035) 19.445 23.307 ( -0.899 -0.844 9.944) 10.020 23.866 ( -0.954 0.575 -6.171) 6.271 23.973 ( 0.596 -1.165 17.265) 17.315 24.956 ( 0.213 -0.532 -5.392) 5.422 ======================= Grid point 253 (92/124) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.000 0.258 6.535) 6.540 1.353 ( 0.000 -0.334 -8.754) 8.761 1.680 ( 0.000 -8.398 2.921) 8.891 2.086 ( -0.000 3.731 13.156) 13.675 2.235 ( 0.000 -4.256 1.580) 4.540 2.465 ( -0.000 4.068 4.994) 6.441 2.514 ( -0.000 0.891 7.258) 7.313 2.665 ( -0.000 1.891 -0.151) 1.897 3.200 ( 0.000 -3.579 -7.671) 8.465 3.531 ( -0.000 1.458 -14.327) 14.401 4.161 ( 0.000 -6.280 20.466) 21.407 4.529 ( 0.000 -5.163 13.223) 14.195 4.675 ( 0.000 -7.634 3.497) 8.397 5.002 ( 0.000 -0.830 2.568) 2.699 5.235 ( 0.000 -0.043 -3.971) 3.971 5.856 ( -0.000 2.712 -9.128) 9.522 5.986 ( -0.000 5.387 2.687) 6.020 6.225 ( -0.000 18.907 5.933) 19.816 6.693 ( 0.000 -0.389 0.831) 0.917 6.943 ( 0.000 -3.194 2.392) 3.990 7.593 ( 0.000 -4.188 13.586) 14.217 8.109 ( -0.000 0.045 5.595) 5.595 8.504 ( 0.000 -0.870 -5.377) 5.447 8.511 ( 0.000 -7.562 -6.672) 10.084 8.962 ( -0.000 0.749 2.083) 2.214 9.087 ( 0.000 -0.051 -1.634) 1.635 10.893 ( 0.000 -3.428 6.787) 7.603 11.809 ( 0.000 -1.012 -15.150) 15.184 11.948 ( -0.000 2.783 7.526) 8.025 12.479 ( -0.000 4.539 -7.552) 8.811 13.174 ( -0.000 2.474 4.728) 5.336 13.697 ( -0.000 4.433 -11.174) 12.021 23.320 ( 0.000 -1.918 10.461) 10.636 23.852 ( -0.000 0.526 -0.958) 1.093 23.998 ( 0.000 -1.901 12.080) 12.229 24.969 ( 0.000 -1.210 -5.810) 5.935 ======================= Grid point 263 (93/124) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 -0.000 5.255) 5.255 1.353 ( 0.000 -0.000 -9.486) 9.486 1.548 ( -0.000 0.000 3.075) 3.075 2.130 ( 0.000 -0.000 -1.760) 1.760 2.168 ( 0.000 -0.000 16.396) 16.396 2.463 ( -0.000 0.000 12.169) 12.169 2.577 ( 0.000 -0.000 2.256) 2.256 2.701 ( 0.000 -0.000 -1.694) 1.694 3.149 ( 0.000 -0.000 -7.720) 7.720 3.553 ( -0.000 0.000 -14.750) 14.750 4.067 ( 0.000 -0.000 21.571) 21.571 4.470 ( -0.000 0.000 19.410) 19.410 4.564 ( 0.000 -0.000 -0.649) 0.649 4.990 ( 0.000 -0.000 2.695) 2.695 5.234 ( 0.000 -0.000 -4.220) 4.220 5.867 ( 0.000 -0.000 -21.334) 21.334 6.103 ( 0.000 -0.000 20.677) 20.677 6.520 ( -0.000 0.000 6.096) 6.096 6.682 ( 0.000 -0.000 -3.287) 3.287 6.881 ( 0.000 -0.000 3.416) 3.416 7.543 ( 0.000 -0.000 9.447) 9.447 8.110 ( 0.000 -0.000 5.632) 5.632 8.379 ( 0.000 -0.000 -6.883) 6.883 8.491 ( 0.000 -0.000 -4.659) 4.659 8.974 ( 0.000 -0.000 1.431) 1.431 9.087 ( 0.000 -0.000 -1.708) 1.708 10.846 ( 0.000 -0.000 7.241) 7.241 11.792 ( 0.000 -0.000 -14.954) 14.954 11.986 ( 0.000 -0.000 7.903) 7.903 12.543 ( 0.000 -0.000 -7.893) 7.893 13.208 ( 0.000 -0.000 4.832) 4.832 13.760 ( 0.000 -0.000 -12.086) 12.086 23.294 ( 0.000 -0.000 9.590) 9.590 23.863 ( 0.000 -0.000 -9.305) 9.305 23.969 ( 0.000 -0.000 20.150) 20.150 24.954 ( 0.000 -0.000 -5.414) 5.414 ======================= Grid point 309 (94/124) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 0.000 16.973) 16.973 1.261 ( 0.000 0.000 25.629) 25.629 1.448 ( 0.000 0.000 -10.377) 10.377 1.766 ( 0.000 0.000 -23.881) 23.881 1.804 ( 0.000 0.000 4.237) 4.237 1.945 ( 0.000 0.000 -8.004) 8.004 2.409 ( 0.000 0.000 31.601) 31.601 2.981 ( 0.000 0.000 -24.795) 24.795 3.233 ( 0.000 0.000 10.492) 10.492 3.442 ( 0.000 0.000 -10.250) 10.250 4.970 ( 0.000 0.000 20.069) 20.069 5.131 ( 0.000 0.000 3.464) 3.464 5.152 ( 0.000 0.000 -2.836) 2.836 5.166 ( 0.000 0.000 5.689) 5.689 5.192 ( 0.000 0.000 -2.646) 2.646 5.485 ( 0.000 0.000 -20.686) 20.686 5.885 ( 0.000 0.000 12.589) 12.589 6.115 ( 0.000 0.000 -10.581) 10.581 6.920 ( 0.000 0.000 7.479) 7.479 7.063 ( 0.000 0.000 -6.390) 6.390 8.218 ( 0.000 0.000 4.631) 4.631 8.316 ( 0.000 0.000 -5.032) 5.032 8.513 ( 0.000 0.000 6.259) 6.259 8.631 ( 0.000 0.000 -5.298) 5.298 9.094 ( 0.000 0.000 1.159) 1.159 9.114 ( 0.000 0.000 -0.899) 0.899 11.314 ( 0.000 0.000 8.184) 8.184 11.475 ( 0.000 0.000 -7.580) 7.580 11.629 ( 0.000 0.000 5.194) 5.194 11.735 ( 0.000 0.000 -5.255) 5.255 12.869 ( 0.000 0.000 4.216) 4.216 12.961 ( 0.000 0.000 -4.889) 4.889 23.736 ( 0.000 0.000 9.561) 9.561 23.944 ( 0.000 0.000 -11.138) 11.138 25.145 ( 0.000 0.000 4.456) 4.456 25.221 ( 0.000 0.000 -3.148) 3.148 ======================= Grid point 310 (95/124) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 7.388 0.058 16.690) 18.253 1.315 ( 2.149 -7.207 21.856) 23.113 1.501 ( 5.642 -1.320 -9.591) 11.205 1.771 ( -1.273 -2.026 -20.038) 20.180 1.860 ( 6.794 -1.341 1.766) 7.147 1.989 ( 4.240 -2.024 -7.625) 8.956 2.454 ( 3.815 -2.329 30.822) 31.144 3.007 ( 1.717 -1.595 -23.401) 23.518 3.231 ( 1.131 1.663 8.690) 8.920 3.400 ( -4.510 1.580 -7.526) 8.915 4.939 ( -2.258 2.318 13.301) 13.689 5.049 ( -4.955 1.143 3.961) 6.446 5.127 ( -6.324 -1.193 -2.762) 7.003 5.155 ( -1.235 -1.234 -3.324) 3.754 5.282 ( 10.354 0.663 8.229) 13.243 5.547 ( 8.193 1.461 -16.200) 18.213 5.870 ( 2.437 4.929 11.478) 12.727 6.091 ( 2.008 5.600 -10.607) 12.162 6.890 ( -3.193 0.886 8.043) 8.698 7.039 ( -3.643 -0.090 -6.438) 7.398 8.175 ( -6.998 0.400 5.426) 8.864 8.282 ( -5.548 -0.315 -5.080) 7.529 8.511 ( -2.670 -1.907 2.820) 4.326 8.543 ( -7.315 0.048 0.002) 7.315 9.099 ( 1.415 0.511 1.186) 1.916 9.120 ( 0.946 0.461 -0.814) 1.330 11.206 ( -11.029 -1.418 8.092) 13.753 11.384 ( -6.630 0.161 -9.355) 11.467 11.822 ( 18.736 -1.087 5.344) 19.513 11.942 ( 20.086 -0.719 -7.136) 21.328 12.922 ( 5.799 -2.054 5.640) 8.346 13.049 ( 10.080 -2.628 -6.900) 12.495 23.734 ( -0.321 0.036 9.354) 9.360 23.937 ( -0.620 0.411 -10.857) 10.882 25.035 ( -5.155 9.822 8.454) 13.947 25.164 ( -6.018 1.370 -4.501) 7.639 ======================= Grid point 311 (96/124) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 5.805 -3.871 16.236) 17.672 1.510 ( 7.563 -8.997 12.689) 17.297 1.617 ( 7.398 -1.288 -9.091) 11.792 1.802 ( -0.115 -4.532 -13.631) 14.365 2.014 ( 9.627 -3.400 0.930) 10.252 2.114 ( 7.259 -3.910 -6.635) 10.583 2.566 ( 6.436 -2.787 28.286) 29.142 3.052 ( 0.725 -1.102 -16.747) 16.799 3.221 ( 2.082 2.796 0.847) 3.588 3.275 ( -7.793 3.156 -1.494) 8.539 4.870 ( -2.375 2.037 4.863) 5.782 4.940 ( -6.818 1.652 -0.868) 7.069 5.091 ( -2.540 -1.679 3.202) 4.418 5.161 ( -2.317 -2.875 -3.077) 4.806 5.422 ( 11.410 1.597 9.976) 15.240 5.636 ( 8.349 3.543 -10.534) 13.900 5.816 ( 3.398 8.938 9.714) 13.631 6.022 ( 3.127 9.555 -10.414) 14.475 6.814 ( -6.067 0.369 8.219) 10.223 6.962 ( -6.883 0.291 -6.195) 9.265 7.996 ( -15.568 0.580 11.530) 19.382 8.175 ( -7.488 0.508 -6.113) 9.680 8.489 ( -1.712 -3.401 2.182) 4.388 8.534 ( -1.238 -2.969 -1.861) 3.716 9.116 ( 1.826 0.651 0.839) 2.113 9.127 ( 1.114 0.551 -0.298) 1.278 11.098 ( -7.141 -1.787 9.737) 12.206 11.319 ( -2.907 -0.106 -11.679) 12.036 12.078 ( 15.340 0.246 4.543) 16.000 12.200 ( 14.652 0.470 -8.655) 17.023 13.090 ( 11.798 -3.855 9.386) 15.561 13.307 ( 18.807 -3.811 -12.325) 22.806 23.722 ( -0.959 0.599 8.878) 8.949 23.913 ( -1.357 1.090 -10.159) 10.307 24.788 ( -7.885 10.691 16.762) 21.388 25.038 ( -6.257 3.502 -8.573) 11.176 ======================= Grid point 312 (97/124) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 6.588 -6.494 11.482) 14.744 1.717 ( 5.840 -3.404 -5.479) 8.701 1.737 ( 5.447 -6.111 3.619) 8.950 1.885 ( 1.085 -5.734 -7.354) 9.389 2.200 ( 8.533 -4.161 1.866) 9.675 2.278 ( 7.378 -4.162 -4.997) 9.835 2.684 ( 4.842 -1.273 23.337) 23.868 3.011 ( -5.327 3.030 -4.577) 7.649 3.114 ( -4.874 2.919 4.558) 7.284 3.261 ( 6.085 1.356 -12.068) 13.584 4.824 ( -1.343 1.568 0.075) 2.066 4.839 ( -5.157 -0.277 -0.727) 5.215 5.083 ( -3.401 -3.547 4.312) 6.538 5.158 ( -3.912 -3.028 -3.144) 5.861 5.543 ( 9.549 4.347 7.161) 12.703 5.656 ( 5.630 8.861 -2.759) 10.855 5.748 ( 5.202 8.125 7.951) 12.502 5.944 ( 3.393 7.339 -9.555) 12.517 6.712 ( -8.146 -0.325 7.319) 10.956 6.852 ( -7.180 0.358 -6.316) 9.569 7.789 ( -12.342 -0.501 19.283) 22.900 8.084 ( -4.846 -0.098 -9.526) 10.688 8.531 ( -0.027 -3.431 -0.447) 3.460 8.561 ( -0.734 -3.005 -2.960) 4.282 9.129 ( 1.574 0.943 0.719) 1.971 9.137 ( 0.866 0.174 -0.088) 0.887 11.047 ( -3.567 -1.596 11.196) 11.858 11.293 ( -1.161 0.060 -12.248) 12.303 12.240 ( 9.255 1.018 3.309) 9.881 12.343 ( 7.670 0.954 -7.898) 11.051 13.328 ( 13.110 -3.809 13.082) 18.909 13.626 ( 18.232 -2.735 -16.686) 24.866 23.687 ( -1.774 1.533 8.719) 9.028 23.871 ( -1.832 1.676 -9.514) 9.832 24.569 ( -5.540 6.760 22.227) 23.884 24.914 ( -4.353 3.137 -12.396) 13.508 ======================= Grid point 313 (98/124) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 6.183 -5.883 5.809) 10.324 1.801 ( 3.534 -0.668 -5.722) 6.758 1.884 ( 1.385 -6.104 3.617) 7.229 1.958 ( 0.157 -2.795 -3.718) 4.654 2.345 ( 4.514 -2.956 2.735) 6.049 2.415 ( 4.730 -2.706 -3.910) 6.707 2.695 ( -2.516 1.649 16.040) 16.320 2.881 ( -4.022 3.408 0.687) 5.316 3.083 ( 2.399 0.646 7.729) 8.119 3.332 ( 4.892 0.677 -13.867) 14.720 4.771 ( -2.570 0.398 0.676) 2.688 4.815 ( -1.012 -0.530 -3.161) 3.361 5.098 ( -3.160 -5.351 2.629) 6.748 5.139 ( -3.821 -2.687 -1.785) 5.000 5.521 ( 2.644 8.474 4.915) 10.147 5.581 ( 3.271 10.497 -0.320) 11.000 5.780 ( 7.065 1.807 7.613) 10.542 5.928 ( 2.429 2.096 -6.422) 7.179 6.605 ( -6.896 -0.381 7.786) 10.408 6.768 ( -4.023 0.093 -7.936) 8.898 7.671 ( -5.818 -0.804 23.716) 24.433 8.038 ( -2.164 -0.239 -11.894) 12.092 8.564 ( -0.123 -1.483 -1.325) 1.992 8.593 ( -0.227 -2.339 -4.098) 4.724 9.137 ( 1.071 0.663 0.660) 1.422 9.144 ( 0.303 0.035 0.004) 0.305 11.032 ( -1.363 -0.959 11.735) 11.853 11.281 ( -0.409 0.146 -11.870) 11.878 12.324 ( 4.436 0.685 2.367) 5.074 12.407 ( 3.287 0.641 -6.759) 7.543 13.526 ( 8.167 -2.175 15.054) 17.264 13.860 ( 10.426 -1.200 -18.121) 20.941 23.639 ( -1.574 1.474 9.213) 9.462 23.825 ( -1.349 1.310 -9.410) 9.596 24.452 ( -2.278 2.658 23.789) 24.046 24.837 ( -1.981 1.572 -14.388) 14.608 ======================= Grid point 314 (99/124) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 -0.000 1.535) 1.535 1.826 ( 0.000 -0.000 -2.466) 2.466 1.938 ( 0.000 0.000 1.634) 1.634 1.966 ( -0.000 -0.000 -1.349) 1.349 2.398 ( 0.000 -0.000 3.074) 3.074 2.469 ( 0.000 -0.000 -3.790) 3.790 2.649 ( 0.000 -0.000 14.690) 14.690 2.829 ( -0.000 -0.000 -0.481) 0.481 3.106 ( 0.000 -0.000 9.648) 9.648 3.364 ( -0.000 -0.000 -13.423) 13.423 4.750 ( 0.000 0.000 1.348) 1.348 4.812 ( 0.000 -0.000 -4.451) 4.451 5.121 ( 0.000 0.000 0.543) 0.543 5.128 ( -0.000 0.000 -0.474) 0.474 5.473 ( 0.000 -0.000 4.906) 4.906 5.519 ( -0.000 -0.000 1.139) 1.139 5.826 ( -0.000 -0.000 5.675) 5.675 5.933 ( 0.000 -0.000 -4.522) 4.522 6.554 ( 0.000 -0.000 8.785) 8.785 6.739 ( -0.000 -0.000 -9.054) 9.054 7.637 ( -0.000 -0.000 25.028) 25.028 8.025 ( 0.000 -0.000 -12.603) 12.603 8.572 ( 0.000 -0.000 -1.292) 1.292 8.608 ( -0.000 -0.000 -4.777) 4.777 9.140 ( -0.000 -0.000 0.547) 0.547 9.145 ( 0.000 0.000 0.123) 0.123 11.030 ( -0.000 -0.000 11.801) 11.801 11.277 ( 0.000 -0.000 -11.594) 11.594 12.350 ( 0.000 -0.000 1.992) 1.992 12.425 ( 0.000 -0.000 -6.236) 6.236 13.601 ( -0.000 -0.000 15.601) 15.601 13.943 ( 0.000 -0.000 -18.302) 18.302 23.616 ( 0.000 -0.000 9.537) 9.537 23.806 ( 0.000 -0.000 -9.512) 9.512 24.420 ( 0.000 -0.000 23.921) 23.921 24.813 ( 0.000 -0.000 -14.907) 14.907 ======================= Grid point 321 (100/124) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.346 -0.000 23.809) 23.812 1.393 ( 11.748 -0.000 11.543) 16.470 1.583 ( 7.237 -0.000 -5.107) 8.858 1.739 ( -1.145 0.000 -23.006) 23.035 1.975 ( 9.922 -0.000 1.072) 9.979 2.055 ( 6.925 -0.000 -5.299) 8.720 2.526 ( 8.085 -0.000 28.550) 29.672 3.029 ( 2.289 -0.000 -19.538) 19.672 3.264 ( 2.046 -0.000 2.595) 3.304 3.319 ( -8.176 0.000 -1.024) 8.240 4.893 ( -5.301 0.000 6.298) 8.231 4.993 ( -8.470 0.000 -4.117) 9.418 5.056 ( 0.891 -0.000 4.111) 4.207 5.118 ( -2.855 0.000 -2.415) 3.739 5.446 ( 11.862 -0.000 10.246) 15.674 5.681 ( 8.707 -0.000 -12.228) 15.011 5.954 ( 4.240 -0.000 11.351) 12.117 6.172 ( 3.742 -0.000 -10.197) 10.862 6.823 ( -7.141 0.000 7.363) 10.257 6.961 ( -7.154 0.000 -6.109) 9.408 8.011 ( -16.127 0.000 9.855) 18.900 8.178 ( -8.041 0.000 -6.781) 10.519 8.433 ( -4.694 0.000 3.376) 5.782 8.477 ( -1.039 0.000 -1.315) 1.676 9.121 ( 1.333 -0.000 1.184) 1.783 9.138 ( 1.028 -0.000 -0.456) 1.125 11.071 ( -6.553 0.000 10.934) 12.747 11.319 ( -2.623 0.000 -13.315) 13.571 12.084 ( 17.037 -0.000 4.992) 17.753 12.210 ( 15.676 -0.000 -8.652) 17.905 13.034 ( 12.185 -0.000 9.186) 15.260 13.252 ( 20.736 -0.000 -12.851) 24.395 23.728 ( -0.620 0.000 9.141) 9.162 23.927 ( -1.241 0.000 -10.672) 10.743 24.995 ( -13.583 0.000 6.455) 15.039 25.054 ( -5.691 0.000 -0.078) 5.691 ======================= Grid point 322 (101/124) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 2.465 -5.301 20.497) 21.315 1.566 ( 9.389 -2.942 7.315) 12.260 1.692 ( 6.140 -1.086 -5.572) 8.362 1.750 ( 0.374 -3.157 -17.773) 18.055 2.121 ( 9.096 -1.356 1.124) 9.265 2.179 ( 7.940 -2.388 -3.775) 9.110 2.654 ( 7.903 -0.651 23.903) 25.184 3.040 ( -1.815 -0.080 -11.508) 11.650 3.184 ( -8.147 1.678 6.431) 10.514 3.303 ( 4.853 1.100 -7.866) 9.308 4.819 ( -5.242 -0.388 4.821) 7.133 4.874 ( -6.352 1.205 -2.150) 6.814 5.048 ( -2.845 0.425 0.732) 2.968 5.085 ( -3.494 -2.055 -2.615) 4.824 5.611 ( 12.269 1.070 9.257) 15.407 5.785 ( 7.450 1.603 -7.770) 10.883 5.976 ( 4.253 6.009 10.790) 13.062 6.184 ( 3.736 6.566 -9.576) 12.198 6.700 ( -9.799 -0.390 7.698) 12.467 6.849 ( -8.407 -0.442 -6.963) 10.925 7.782 ( -14.063 0.087 17.784) 22.673 8.078 ( -5.836 -0.368 -11.374) 12.789 8.416 ( -1.490 -3.164 3.040) 4.634 8.481 ( -0.978 -2.233 -3.302) 4.105 9.138 ( 0.871 -0.000 1.034) 1.352 9.149 ( 0.901 0.366 -0.124) 0.981 11.013 ( -2.785 -0.740 12.715) 13.037 11.300 ( -0.300 0.226 -14.991) 14.996 12.266 ( 9.173 0.599 3.268) 9.757 12.362 ( 6.879 0.392 -7.355) 10.078 13.253 ( 15.989 -1.531 13.878) 21.227 13.582 ( 22.805 -0.675 -19.575) 30.062 23.712 ( -1.344 0.391 8.621) 8.734 23.901 ( -2.000 0.533 -10.099) 10.309 24.757 ( -12.092 5.353 15.686) 20.516 24.967 ( -6.457 0.452 -6.016) 8.836 ======================= Grid point 323 (102/124) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 4.304 -8.934 15.280) 18.216 1.728 ( 6.214 -4.002 1.723) 7.589 1.774 ( 3.876 -1.743 -8.137) 9.180 1.834 ( 2.320 -4.864 -8.264) 9.866 2.260 ( 6.258 -2.541 2.776) 7.303 2.326 ( 6.767 -3.254 -3.447) 8.262 2.719 ( -0.085 0.284 17.533) 17.536 2.968 ( -5.497 2.183 -4.222) 7.267 3.094 ( -1.707 0.440 10.692) 10.837 3.360 ( 4.477 1.208 -13.583) 14.353 4.757 ( -4.917 -1.151 3.642) 6.226 4.798 ( -3.139 -0.196 -1.136) 3.344 4.993 ( -4.820 -1.423 1.535) 5.255 5.052 ( -5.348 -2.336 -3.929) 7.035 5.748 ( 10.154 2.983 5.854) 12.094 5.838 ( 5.449 5.058 -1.738) 7.635 5.914 ( 2.085 8.591 8.267) 12.104 6.094 ( 0.575 10.691 -7.670) 13.170 6.585 ( -7.150 -1.177 8.246) 10.977 6.758 ( -5.027 -0.773 -8.548) 9.947 7.641 ( -6.603 -1.042 23.428) 24.363 8.028 ( -2.360 -0.575 -13.992) 14.201 8.458 ( -1.099 -5.227 0.497) 5.364 8.504 ( -1.192 -3.284 -3.646) 5.050 9.144 ( -0.029 0.021 0.971) 0.972 9.154 ( 0.594 0.450 -0.077) 0.749 11.003 ( -0.533 -0.953 13.405) 13.449 11.297 ( 0.678 0.728 -14.764) 14.797 12.340 ( 2.968 0.456 2.148) 3.692 12.414 ( 1.429 -0.001 -6.034) 6.201 13.482 ( 12.631 -1.047 16.367) 20.701 13.859 ( 15.308 0.718 -21.568) 26.458 23.676 ( -2.322 1.040 8.472) 8.846 23.858 ( -2.503 0.928 -9.616) 9.980 24.551 ( -7.212 4.072 21.706) 23.233 24.876 ( -4.544 0.994 -11.030) 11.970 ======================= Grid point 324 (103/124) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.770 -8.935 9.682) 13.704 1.823 ( 2.074 -1.102 -4.683) 5.239 1.863 ( 3.797 -2.536 0.432) 4.587 1.926 ( 1.885 -4.110 -7.147) 8.457 2.355 ( 2.410 -2.220 3.836) 5.045 2.436 ( 2.897 -2.032 -3.940) 5.296 2.671 ( -3.119 0.947 15.093) 15.441 2.869 ( -3.503 2.195 -1.631) 4.444 3.085 ( -2.102 -1.182 11.561) 11.810 3.375 ( -0.629 0.835 -14.480) 14.518 4.722 ( -2.659 -1.936 3.120) 4.533 4.784 ( -1.040 -1.602 -2.698) 3.305 4.973 ( -3.526 -4.874 1.662) 6.241 5.018 ( -4.886 -4.160 -2.723) 6.971 5.738 ( 3.825 13.897 7.321) 16.167 5.811 ( 3.492 6.525 1.679) 7.589 5.840 ( 0.037 6.645 2.466) 7.087 5.956 ( -3.330 3.834 -5.784) 7.697 6.548 ( 0.578 -0.535 8.673) 8.709 6.730 ( -0.470 -0.592 -8.733) 8.765 7.615 ( -0.011 -1.494 25.150) 25.194 8.021 ( 0.208 -0.391 -13.794) 13.802 8.512 ( -1.187 -4.501 -1.675) 4.947 8.536 ( -1.129 -4.078 -3.814) 5.697 9.137 ( -0.948 -0.080 1.182) 1.518 9.152 ( -0.051 0.316 -0.424) 0.531 11.017 ( 0.780 -0.753 13.083) 13.128 11.297 ( 1.188 1.192 -13.544) 13.648 12.347 ( -1.470 -0.184 1.775) 2.312 12.413 ( -2.042 -0.720 -5.465) 5.878 13.611 ( 4.783 0.666 16.499) 17.192 13.980 ( 4.593 2.326 -20.228) 20.873 23.629 ( -2.154 0.770 9.050) 9.335 23.813 ( -2.047 0.491 -9.501) 9.731 24.444 ( -2.867 1.623 23.480) 23.710 24.819 ( -2.214 0.335 -13.752) 13.933 ======================= Grid point 325 (104/124) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -3.407 -2.395 3.833) 5.660 1.816 ( -3.257 1.073 -3.352) 4.796 1.940 ( 2.615 -2.666 1.520) 4.032 1.991 ( 2.273 -0.252 -3.461) 4.148 2.382 ( -1.464 -0.225 3.332) 3.646 2.455 ( -1.785 0.199 -3.611) 4.033 2.655 ( 1.528 -0.699 15.067) 15.161 2.826 ( -0.123 -0.378 0.368) 0.541 3.048 ( -5.371 -1.878 9.680) 11.228 3.324 ( -5.149 0.173 -15.018) 15.877 4.733 ( -0.536 -2.601 2.310) 3.520 4.800 ( -0.003 -1.632 -4.253) 4.556 5.030 ( -1.178 -7.893 0.914) 8.032 5.044 ( -2.087 -6.926 -0.686) 7.267 5.599 ( 1.942 11.150 6.579) 13.091 5.672 ( 2.908 15.158 -0.045) 15.435 5.754 ( -7.601 0.568 6.542) 10.045 5.894 ( -4.455 -0.799 -6.648) 8.042 6.608 ( 6.507 -0.176 7.464) 9.904 6.757 ( 3.109 -0.587 -6.732) 7.438 7.671 ( 5.286 -0.994 23.765) 24.366 8.041 ( 2.233 -0.075 -11.750) 11.960 8.543 ( -1.221 -2.768 -1.683) 3.462 8.576 ( -1.026 -3.539 -4.949) 6.170 9.121 ( -1.734 -0.426 1.469) 2.312 9.144 ( -0.809 0.040 -0.871) 1.190 11.043 ( 1.918 -0.218 12.162) 12.314 11.299 ( 1.741 1.412 -12.139) 12.345 12.306 ( -5.046 -0.565 2.082) 5.487 12.380 ( -4.566 -1.227 -5.951) 7.601 13.595 ( -3.720 2.689 15.217) 15.894 13.929 ( -5.774 3.602 -17.906) 19.156 23.607 ( -0.580 -0.751 9.499) 9.546 23.795 ( -0.721 -0.817 -9.358) 9.421 24.413 ( -0.477 -0.314 23.554) 23.561 24.803 ( -0.442 -0.809 -14.881) 14.909 ======================= Grid point 326 (105/124) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -10.638 2.860 4.379) 11.854 1.722 ( -8.754 -0.425 -5.222) 10.202 1.956 ( -0.668 5.433 2.606) 6.062 1.996 ( 0.927 1.237 -1.465) 2.129 2.309 ( -5.614 3.358 3.031) 7.210 2.381 ( -5.043 3.283 -3.459) 6.941 2.694 ( -0.177 -0.721 19.055) 19.070 2.898 ( 5.355 -4.266 0.855) 6.899 3.029 ( -0.163 -3.300 4.748) 5.784 3.241 ( -6.136 -0.257 -15.823) 16.973 4.767 ( -0.305 -2.793 1.761) 3.316 4.830 ( 1.828 -1.468 -4.174) 4.788 5.128 ( -0.227 -6.990 0.619) 7.021 5.132 ( 0.585 -5.936 0.106) 5.966 5.504 ( 1.563 6.458 4.705) 8.142 5.543 ( 1.374 7.797 1.335) 8.029 5.617 ( -11.045 -1.378 10.057) 15.001 5.836 ( -6.284 -2.021 -10.658) 12.536 6.713 ( 7.078 -0.320 6.654) 9.720 6.833 ( 5.977 -0.946 -4.808) 7.729 7.792 ( 10.335 -0.650 20.210) 22.708 8.086 ( 4.217 0.044 -8.289) 9.301 8.553 ( -1.661 -1.482 -1.141) 2.501 8.597 ( -0.730 -1.356 -5.346) 5.563 9.101 ( -2.242 -0.924 1.678) 2.949 9.129 ( -1.456 -0.327 -1.174) 1.899 11.080 ( 3.693 0.434 10.818) 11.439 11.310 ( 2.638 1.448 -10.986) 11.391 12.221 ( -8.043 -0.359 2.934) 8.569 12.314 ( -7.084 -1.037 -7.211) 10.162 13.445 ( -9.823 4.507 12.975) 16.887 13.731 ( -13.536 4.789 -15.325) 21.000 23.632 ( 0.984 -2.261 9.320) 9.640 23.816 ( 0.613 -2.168 -8.976) 9.254 24.437 ( 1.103 -2.766 23.532) 23.719 24.830 ( 1.085 -2.557 -15.134) 15.387 ======================= Grid point 327 (106/124) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -13.571 1.737 8.824) 16.280 1.595 ( -11.121 -2.250 -8.951) 14.453 1.811 ( -3.221 10.618 8.678) 14.086 1.958 ( 0.425 5.369 -4.320) 6.904 2.151 ( -7.147 5.802 1.533) 9.332 2.242 ( -5.667 5.287 -5.487) 9.496 2.648 ( -3.519 2.429 24.857) 25.222 3.024 ( 2.947 -3.927 -1.165) 5.046 3.152 ( 5.525 -3.911 -3.052) 7.425 3.172 ( -2.323 -1.711 -11.973) 12.316 4.799 ( 0.041 -2.849 5.267) 5.989 4.906 ( 5.584 -1.853 -5.020) 7.734 5.166 ( 0.766 1.749 3.311) 3.822 5.201 ( 0.015 -2.748 -0.762) 2.852 5.416 ( -6.913 3.617 7.460) 10.795 5.491 ( -2.876 -3.649 0.810) 4.717 5.572 ( -3.242 -6.447 5.481) 9.062 5.793 ( -5.756 -5.507 -13.414) 15.601 6.804 ( 4.874 -0.516 7.933) 9.325 6.939 ( 6.351 -1.235 -5.126) 8.254 7.980 ( 14.185 -1.019 14.288) 20.159 8.160 ( 5.881 -0.421 -3.672) 6.946 8.535 ( -2.561 -0.439 0.212) 2.607 8.597 ( 0.291 0.661 -4.896) 4.949 9.084 ( -2.442 -1.380 1.732) 3.296 9.113 ( -1.732 -0.615 -1.228) 2.211 11.142 ( 6.600 0.818 8.703) 10.953 11.337 ( 4.075 1.466 -9.807) 10.721 12.083 ( -11.329 0.770 3.911) 12.010 12.197 ( -10.786 0.346 -8.214) 13.562 13.223 ( -10.852 5.497 9.860) 15.659 13.443 ( -15.741 5.862 -11.927) 20.601 23.684 ( 1.310 -2.322 8.824) 9.218 23.863 ( 1.134 -2.598 -8.941) 9.379 24.529 ( 2.701 -7.097 23.094) 24.310 24.907 ( 2.569 -4.985 -14.410) 15.462 ======================= Grid point 328 (107/124) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -10.132 -0.420 13.750) 17.085 1.492 ( -7.655 -2.769 -12.161) 14.634 1.608 ( -2.250 12.440 14.921) 19.556 1.882 ( 1.034 6.523 -3.578) 7.512 1.974 ( -5.487 6.262 -4.224) 9.336 2.095 ( -3.984 5.663 -7.817) 10.443 2.557 ( -2.330 4.343 28.411) 28.835 3.064 ( -0.038 1.498 -18.745) 18.805 3.149 ( -1.595 -3.782 5.988) 7.260 3.318 ( 4.899 -4.284 -7.737) 10.110 4.857 ( 2.049 -3.127 12.607) 13.150 5.021 ( 6.784 -1.279 -2.101) 7.216 5.146 ( 0.826 0.977 2.022) 2.393 5.203 ( -2.153 -0.107 -1.812) 2.816 5.283 ( -5.218 2.639 7.598) 9.587 5.476 ( -6.268 -3.312 -9.870) 12.152 5.652 ( -1.591 -9.321 7.338) 11.969 5.847 ( -2.271 -10.200 -11.770) 15.739 6.865 ( 2.505 -0.815 9.306) 9.672 7.028 ( 3.636 -0.987 -6.426) 7.449 8.169 ( 8.478 -0.129 6.879) 10.918 8.271 ( 8.093 -1.202 -2.314) 8.503 8.511 ( -1.465 -1.823 3.940) 4.582 8.591 ( 1.364 2.071 -2.781) 3.726 9.070 ( -2.171 -1.493 1.836) 3.212 9.101 ( -1.168 -0.835 -1.320) 1.950 11.249 ( 9.634 0.541 5.525) 11.119 11.389 ( 5.776 1.144 -7.882) 9.838 11.877 ( -13.825 2.933 4.567) 14.853 11.993 ( -13.998 3.140 -7.326) 16.109 13.023 ( -6.316 5.018 6.662) 10.462 13.172 ( -9.819 5.879 -7.972) 13.948 23.722 ( 0.631 -1.154 8.794) 8.892 23.908 ( 0.721 -1.901 -9.660) 9.872 24.705 ( 3.026 -12.068 20.323) 23.829 25.031 ( 2.893 -6.911 -12.417) 14.502 ======================= Grid point 329 (108/124) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 -0.305 16.389) 16.391 1.429 ( -0.000 11.007 20.395) 23.175 1.463 ( 0.000 -0.646 -13.534) 13.550 1.825 ( -0.000 3.265 8.269) 8.890 1.847 ( -0.000 5.438 -20.743) 21.444 1.997 ( -0.000 3.954 -8.490) 9.366 2.477 ( -0.000 4.399 30.530) 30.845 3.027 ( -0.000 2.719 -23.753) 23.908 3.189 ( 0.000 -3.142 10.720) 11.171 3.401 ( 0.000 -2.929 -10.317) 10.724 4.915 ( 0.000 -2.854 19.128) 19.340 5.126 ( 0.000 -0.376 3.394) 3.415 5.128 ( 0.000 -2.112 0.701) 2.226 5.188 ( 0.000 -0.285 -2.815) 2.829 5.207 ( -0.000 3.148 2.653) 4.117 5.451 ( 0.000 -2.153 -17.198) 17.332 5.762 ( 0.000 -8.198 9.943) 12.887 5.972 ( 0.000 -9.541 -10.947) 14.521 6.896 ( 0.000 -1.148 9.203) 9.274 7.063 ( 0.000 -0.374 -6.923) 6.933 8.220 ( -0.000 0.151 5.291) 5.293 8.332 ( -0.000 1.046 -5.811) 5.905 8.566 ( 0.000 -1.674 2.399) 2.925 8.571 ( -0.000 0.207 1.716) 1.729 9.072 ( 0.000 -1.369 1.826) 2.282 9.104 ( 0.000 -0.760 -1.371) 1.568 11.346 ( -0.000 0.882 3.538) 3.646 11.447 ( 0.000 -0.880 -6.055) 6.119 11.685 ( -0.000 3.960 5.642) 6.893 11.800 ( -0.000 4.606 -5.710) 7.336 12.920 ( -0.000 3.623 4.978) 6.157 13.030 ( -0.000 4.628 -5.807) 7.426 23.735 ( 0.000 -0.265 9.156) 9.159 23.933 ( 0.000 -0.977 -10.476) 10.521 24.909 ( 0.000 -13.381 14.750) 19.916 25.149 ( 0.000 -6.189 -9.453) 11.299 ======================= Grid point 332 (109/124) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.941 -0.000 19.812) 20.200 1.668 ( 7.542 -0.000 0.474) 7.557 1.734 ( 1.413 -0.000 -14.686) 14.754 1.771 ( 5.469 -0.000 -2.967) 6.222 2.225 ( 6.860 -0.000 1.856) 7.107 2.275 ( 7.780 -0.000 -2.616) 8.208 2.722 ( 0.998 -0.000 17.349) 17.378 2.992 ( -4.914 0.000 -8.533) 9.847 3.105 ( -3.944 0.000 14.179) 14.717 3.380 ( 4.158 -0.000 -13.241) 13.879 4.739 ( -5.307 0.000 6.071) 8.063 4.797 ( -4.818 0.000 -1.274) 4.983 4.985 ( -6.362 0.000 -0.276) 6.368 5.018 ( -4.378 0.000 -4.162) 6.041 5.776 ( 9.006 -0.000 6.330) 11.008 5.884 ( 4.784 -0.000 -4.302) 6.434 6.078 ( 3.536 -0.000 11.319) 11.858 6.282 ( 2.722 -0.000 -8.969) 9.373 6.556 ( -8.285 0.000 9.420) 12.545 6.741 ( -5.172 0.000 -8.773) 10.184 7.627 ( -7.537 0.000 22.202) 23.446 8.015 ( -2.556 0.000 -15.526) 15.735 8.372 ( -1.486 0.000 3.354) 3.668 8.450 ( -1.132 0.000 -4.475) 4.616 9.144 ( 0.001 -0.000 1.356) 1.356 9.160 ( 0.360 -0.000 -0.331) 0.489 10.989 ( -0.226 0.000 14.298) 14.300 11.308 ( 1.041 -0.000 -16.410) 16.443 12.346 ( 2.148 -0.000 1.960) 2.908 12.413 ( 0.623 -0.000 -5.435) 5.470 13.468 ( 14.557 -0.000 17.275) 22.591 13.874 ( 17.308 -0.000 -23.817) 29.441 23.691 ( -2.261 0.000 8.200) 8.506 23.871 ( -2.751 0.000 -9.725) 10.107 24.620 ( -10.744 0.000 19.131) 21.941 24.887 ( -5.166 0.000 -8.112) 9.618 ======================= Grid point 333 (110/124) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 4.729 -5.619 16.629) 18.178 1.761 ( 3.240 -2.766 -15.148) 15.736 1.801 ( 5.612 -1.616 0.236) 5.845 1.844 ( 3.685 -0.857 -2.473) 4.520 2.313 ( 4.527 -0.775 3.560) 5.811 2.383 ( 5.542 -1.308 -2.979) 6.427 2.685 ( -4.505 0.179 14.329) 15.021 2.908 ( -5.881 0.483 -6.660) 8.898 3.066 ( -2.944 -0.098 17.124) 17.376 3.401 ( -0.813 0.710 -15.408) 15.446 4.674 ( -4.593 -1.020 6.723) 8.206 4.753 ( -2.060 -0.559 -2.048) 2.958 4.901 ( -5.449 -1.020 0.537) 5.570 4.953 ( -5.339 -0.994 -4.640) 7.143 5.824 ( -3.453 0.013 5.881) 6.820 5.915 ( -0.020 0.408 -3.223) 3.249 6.079 ( 5.502 7.917 9.271) 13.376 6.245 ( 1.652 8.943 -6.712) 11.303 6.516 ( 0.674 -1.875 9.916) 10.115 6.715 ( 0.458 -0.321 -8.958) 8.975 7.572 ( -1.341 -1.156 24.502) 24.566 8.004 ( 0.161 -0.657 -16.981) 16.994 8.376 ( -1.600 -3.635 2.090) 4.488 8.447 ( -1.351 -2.026 -4.901) 5.473 9.136 ( -1.057 0.019 1.605) 1.922 9.159 ( -0.391 0.132 -0.736) 0.844 10.999 ( 1.081 -0.426 14.777) 14.822 11.324 ( 1.690 0.587 -16.375) 16.473 12.342 ( -2.339 -0.130 1.564) 2.816 12.396 ( -2.899 -0.367 -4.373) 5.260 13.628 ( 7.629 0.414 17.953) 19.511 14.039 ( 6.978 1.435 -23.341) 24.404 23.648 ( -3.199 0.456 8.305) 8.912 23.826 ( -3.151 0.293 -9.476) 9.990 24.489 ( -5.934 1.221 22.209) 23.021 24.825 ( -3.375 0.080 -11.446) 11.933 ======================= Grid point 334 (111/124) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.843 -7.838 12.504) 15.029 1.826 ( -0.560 -1.088 -9.184) 9.265 1.883 ( 0.888 -1.022 -0.915) 1.634 1.903 ( 2.723 -4.029 -5.696) 7.489 2.368 ( 2.320 -0.318 4.043) 4.672 2.445 ( 1.106 -0.607 -3.311) 3.544 2.642 ( -0.649 -0.628 14.660) 14.687 2.831 ( -4.122 -0.052 -3.168) 5.199 3.005 ( -6.091 -0.677 15.237) 16.423 3.344 ( -4.917 1.084 -16.718) 17.460 4.643 ( -3.575 -3.036 6.584) 8.084 4.743 ( -2.098 -2.026 -3.978) 4.933 4.882 ( -0.899 -2.956 0.526) 3.134 4.913 ( -3.316 -2.612 -2.769) 5.049 5.704 ( -11.557 -0.272 9.677) 15.076 5.876 ( -5.259 -0.351 -6.959) 8.730 6.020 ( 5.800 13.343 6.616) 15.983 6.123 ( 4.413 14.919 -3.403) 15.926 6.590 ( 5.616 -1.417 7.948) 9.835 6.744 ( 3.080 -0.165 -6.352) 7.062 7.617 ( 3.702 -2.636 24.215) 24.638 8.031 ( 2.180 -0.724 -14.826) 15.003 8.419 ( -1.643 -5.743 -0.767) 6.023 8.464 ( -1.577 -3.314 -4.670) 5.940 9.115 ( -1.979 -0.060 1.893) 2.740 9.146 ( -1.248 0.082 -1.288) 1.795 11.027 ( 1.829 -0.689 14.371) 14.504 11.339 ( 2.222 1.194 -15.399) 15.604 12.294 ( -4.825 -0.352 1.822) 5.170 12.351 ( -4.374 -0.730 -4.375) 6.229 13.660 ( -0.904 1.895 16.560) 16.692 14.030 ( -3.435 3.245 -20.333) 20.875 23.599 ( -2.782 0.021 8.982) 9.403 23.782 ( -2.604 -0.182 -9.414) 9.769 24.421 ( -2.198 0.612 22.919) 23.032 24.790 ( -1.651 -0.226 -13.617) 13.719 ======================= Grid point 335 (112/124) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -6.887 -2.498 5.515) 9.170 1.729 ( -12.410 0.974 -3.417) 12.909 1.906 ( -1.085 -4.977 1.676) 5.362 1.995 ( 1.444 -3.359 -6.888) 7.798 2.383 ( 1.020 2.095 3.552) 4.248 2.448 ( 0.116 1.544 -2.032) 2.554 2.676 ( 2.535 -0.430 15.842) 16.049 2.810 ( 0.119 -2.185 1.693) 2.767 2.945 ( -3.618 -2.399 9.034) 10.023 3.251 ( -5.466 1.083 -18.242) 19.074 4.656 ( -2.598 -5.015 5.526) 7.901 4.752 ( -2.216 -3.968 -4.174) 6.171 4.930 ( -0.838 -5.199 0.735) 5.317 4.953 ( 2.422 -4.476 -1.609) 5.338 5.543 ( -12.197 -1.293 12.158) 17.270 5.787 ( -7.824 -0.614 -11.668) 14.062 5.885 ( 3.584 15.455 5.867) 16.915 5.959 ( 3.555 17.574 -1.088) 17.963 6.693 ( 5.995 -1.207 6.746) 9.106 6.808 ( 5.121 -0.745 -3.952) 6.512 7.739 ( 7.752 -3.229 21.834) 23.393 8.083 ( 3.932 -0.457 -10.033) 10.786 8.472 ( -1.625 -4.610 -3.041) 5.757 8.490 ( -2.318 -4.931 -4.969) 7.374 9.085 ( -2.529 -0.300 2.162) 3.341 9.123 ( -1.961 -0.128 -1.727) 2.616 11.070 ( 2.653 -0.935 13.323) 13.617 11.357 ( 3.139 1.585 -14.033) 14.467 12.219 ( -5.988 0.117 2.627) 6.540 12.295 ( -4.617 -0.294 -5.390) 7.103 13.559 ( -7.678 3.579 13.958) 16.327 13.867 ( -11.267 4.751 -16.660) 20.666 23.579 ( -1.199 -1.475 9.453) 9.642 23.764 ( -1.305 -1.446 -9.140) 9.346 24.402 ( -0.450 -0.272 22.674) 22.680 24.783 ( -0.510 -0.948 -14.777) 14.816 ======================= Grid point 336 (113/124) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -18.643 0.766 4.107) 19.105 1.529 ( -15.143 -2.064 -4.201) 15.850 1.970 ( -0.423 -3.683 1.627) 4.048 2.010 ( -0.700 1.597 -2.164) 2.779 2.322 ( -1.438 6.559 3.772) 7.701 2.394 ( -1.052 5.360 -2.343) 5.944 2.679 ( -1.459 0.452 21.396) 21.450 2.891 ( 2.248 -4.976 4.586) 7.130 3.014 ( 5.927 -5.036 -0.819) 7.821 3.172 ( -3.852 0.757 -19.473) 19.865 4.697 ( -1.593 -5.142 6.179) 8.195 4.800 ( 0.178 -5.865 -3.836) 7.010 5.017 ( 0.421 -7.493 2.316) 7.854 5.064 ( 3.404 -4.972 -2.489) 6.519 5.401 ( -11.942 -2.934 13.252) 18.079 5.687 ( -6.456 -0.242 -12.493) 14.064 5.713 ( 1.900 15.282 3.902) 15.886 5.760 ( 0.053 14.316 -1.744) 14.422 6.782 ( 4.249 -1.091 7.403) 8.605 6.902 ( 5.588 -1.420 -3.914) 6.969 7.920 ( 11.042 -3.646 18.258) 21.647 8.152 ( 4.975 -0.316 -3.642) 6.174 8.483 ( -3.530 -2.788 -2.426) 5.110 8.535 ( -1.707 -5.125 -7.547) 9.281 9.054 ( -2.579 -0.672 2.390) 3.580 9.097 ( -2.169 -0.456 -1.897) 2.917 11.130 ( 3.766 -1.407 11.707) 12.378 11.389 ( 4.634 1.762 -12.812) 13.738 12.118 ( -6.910 1.592 3.861) 8.075 12.222 ( -4.864 1.527 -6.828) 8.521 13.369 ( -10.058 4.919 10.719) 15.500 13.607 ( -14.214 5.875 -12.900) 20.074 23.605 ( 0.238 -3.052 9.416) 9.901 23.785 ( -0.073 -2.822 -8.552) 9.006 24.415 ( 0.326 -1.846 22.635) 22.712 24.804 ( 0.285 -2.425 -15.451) 15.642 ======================= Grid point 337 (114/124) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -14.870 -1.711 9.564) 17.763 1.379 ( -10.834 -4.325 -8.604) 14.495 1.908 ( -1.450 7.996 6.096) 10.159 2.010 ( 0.289 0.144 -4.565) 4.577 2.181 ( -2.536 9.301 4.662) 10.708 2.283 ( -1.396 7.767 -4.961) 9.321 2.643 ( -1.455 1.549 23.777) 23.872 2.988 ( 1.222 -5.472 8.445) 10.137 3.121 ( -2.012 0.658 -19.870) 19.982 3.180 ( 5.204 -5.565 -8.038) 11.075 4.758 ( 0.991 -4.692 11.253) 12.232 4.918 ( 3.151 -7.315 -5.107) 9.462 5.110 ( -0.934 -4.448 2.322) 5.104 5.158 ( 1.299 -2.912 -2.511) 4.059 5.299 ( -8.269 -4.716 13.077) 16.175 5.540 ( 0.250 11.477 3.920) 12.130 5.594 ( 0.689 9.351 -1.138) 9.445 5.637 ( -5.355 -4.970 -16.713) 18.240 6.842 ( 2.153 -0.959 8.822) 9.132 6.990 ( 3.437 -1.693 -5.269) 6.515 8.138 ( 11.638 -3.273 12.679) 17.519 8.227 ( 4.540 -1.341 3.276) 5.757 8.450 ( -6.027 -2.231 -0.853) 6.483 8.577 ( -0.500 -3.422 -9.191) 9.820 9.033 ( -1.967 -1.024 2.627) 3.438 9.078 ( -1.508 -0.758 -1.923) 2.559 11.214 ( 4.158 -2.469 9.428) 10.595 11.440 ( 5.845 1.732 -12.215) 13.652 11.975 ( -7.730 4.070 5.352) 10.245 12.105 ( -5.586 4.844 -7.535) 10.557 13.172 ( -6.733 5.497 7.645) 11.576 13.344 ( -9.864 6.389 -9.331) 15.006 23.658 ( 0.595 -3.439 8.980) 9.635 23.832 ( 0.391 -3.456 -8.215) 8.921 24.467 ( 0.713 -5.044 22.994) 23.552 24.860 ( 0.754 -4.816 -15.609) 16.352 ======================= Grid point 338 (115/124) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 -2.707 13.491) 13.760 1.368 ( 0.000 -5.292 -11.370) 12.541 1.760 ( -0.000 11.555 11.674) 16.426 1.991 ( -0.000 3.454 -11.576) 12.080 2.020 ( -0.000 10.002 6.908) 12.156 2.162 ( -0.000 7.824 -6.931) 10.453 2.598 ( -0.000 3.495 26.261) 26.492 3.071 ( 0.000 -5.278 11.215) 12.395 3.090 ( -0.000 1.553 -22.014) 22.069 3.290 ( 0.000 -5.036 -10.438) 11.590 4.834 ( 0.000 -3.860 16.364) 16.813 5.046 ( 0.000 -5.415 -4.506) 7.044 5.111 ( 0.000 -0.716 3.323) 3.399 5.177 ( 0.000 -0.498 -3.262) 3.299 5.295 ( -0.000 0.209 7.597) 7.600 5.429 ( -0.000 3.768 -2.232) 4.379 5.548 ( 0.000 -2.816 1.686) 3.282 5.696 ( 0.000 -8.731 -13.874) 16.392 6.870 ( 0.000 -0.905 9.626) 9.669 7.037 ( 0.000 -1.473 -6.345) 6.514 8.227 ( -0.000 0.297 6.395) 6.402 8.362 ( -0.000 0.988 -7.077) 7.146 8.399 ( 0.000 -7.705 14.023) 16.000 8.608 ( 0.000 -1.017 -7.005) 7.078 9.033 ( 0.000 -1.297 2.695) 2.991 9.079 ( 0.000 -0.966 -1.915) 2.145 11.295 ( 0.000 -3.479 6.441) 7.320 11.477 ( -0.000 1.641 -11.578) 11.694 11.827 ( -0.000 6.050 6.794) 9.098 11.965 ( -0.000 7.062 -6.863) 9.848 13.049 ( -0.000 5.402 6.100) 8.148 13.185 ( -0.000 6.307 -7.328) 9.668 23.703 ( 0.000 -2.358 8.687) 9.001 23.880 ( 0.000 -2.958 -8.761) 9.247 24.573 ( 0.000 -9.440 22.686) 24.571 24.950 ( 0.000 -7.052 -14.754) 16.353 ======================= Grid point 343 (116/124) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 4.505 -0.000 15.736) 16.368 1.776 ( 2.127 -0.000 -16.517) 16.653 1.861 ( 2.343 -0.000 -0.356) 2.370 1.874 ( 0.143 -0.000 -1.716) 1.722 2.365 ( 3.718 -0.000 3.626) 5.193 2.434 ( 2.478 -0.000 -2.649) 3.627 2.630 ( -1.953 0.000 13.982) 14.118 2.823 ( -5.881 0.000 -5.188) 7.842 3.004 ( -5.485 0.000 17.828) 18.653 3.363 ( -4.664 0.000 -17.120) 17.744 4.600 ( -4.767 0.000 8.129) 9.424 4.713 ( -3.662 0.000 -3.974) 5.404 4.845 ( -0.436 0.000 0.228) 0.492 4.880 ( -3.827 0.000 -3.436) 5.143 5.699 ( -12.142 0.000 9.542) 15.443 5.870 ( -5.846 0.000 -7.266) 9.326 6.237 ( 7.684 -0.000 7.356) 10.638 6.363 ( 5.010 -0.000 -5.888) 7.731 6.540 ( 4.496 -0.000 12.394) 13.185 6.748 ( 3.421 -0.000 -7.978) 8.681 7.570 ( 2.261 -0.000 23.986) 24.092 8.014 ( 1.853 -0.000 -18.541) 18.633 8.326 ( -1.738 0.000 3.339) 3.765 8.416 ( -1.153 0.000 -5.708) 5.823 9.114 ( -2.021 0.000 1.975) 2.826 9.147 ( -1.382 0.000 -1.376) 1.950 11.016 ( 1.676 -0.000 15.409) 15.499 11.356 ( 2.150 -0.000 -17.147) 17.281 12.288 ( -4.635 0.000 1.910) 5.013 12.341 ( -3.948 0.000 -3.762) 5.454 13.688 ( 0.002 -0.000 17.328) 17.328 14.078 ( -2.892 0.000 -21.789) 21.980 23.601 ( -3.665 0.000 8.603) 9.351 23.780 ( -3.325 0.000 -9.439) 10.007 24.432 ( -3.052 0.000 22.567) 22.773 24.788 ( -1.914 0.000 -12.739) 12.882 ======================= Grid point 344 (117/124) ======================= q-point: ( 0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.902 -3.773 12.498) 13.086 1.747 ( -11.812 0.112 -6.560) 13.512 1.823 ( -7.564 -1.014 -1.170) 7.721 1.876 ( 0.919 -3.194 -8.978) 9.573 2.423 ( 5.192 0.797 2.983) 6.041 2.469 ( 3.410 0.194 -0.520) 3.455 2.653 ( 4.009 -0.853 12.265) 12.932 2.763 ( -3.340 -1.201 -0.113) 3.551 2.924 ( -4.783 0.358 14.516) 15.288 3.285 ( -4.919 0.940 -18.823) 19.478 4.548 ( -4.494 -2.224 8.145) 9.565 4.662 ( -4.596 -1.916 -3.741) 6.228 4.848 ( -1.819 -1.322 0.415) 2.287 4.884 ( 4.119 -1.101 -3.032) 5.232 5.517 ( -13.390 -0.506 12.566) 18.370 5.769 ( -8.518 -0.389 -12.185) 14.872 6.264 ( 5.418 9.813 7.886) 13.706 6.369 ( 5.551 10.027 -2.931) 11.830 6.635 ( 4.823 -3.131 9.444) 11.057 6.797 ( 3.787 -0.054 -5.533) 6.705 7.642 ( 5.254 -2.820 22.333) 23.115 8.057 ( 3.196 -1.160 -16.585) 16.930 8.326 ( -1.956 -3.623 2.181) 4.659 8.411 ( -1.160 -1.477 -5.777) 6.075 9.082 ( -2.537 -0.006 2.194) 3.354 9.122 ( -2.140 -0.001 -1.874) 2.844 11.045 ( 1.811 -0.610 15.385) 15.503 11.385 ( 2.409 0.436 -17.194) 17.367 12.222 ( -4.467 0.091 3.093) 5.434 12.295 ( -2.331 0.136 -4.415) 4.994 13.628 ( -6.777 1.364 15.023) 16.537 13.964 ( -10.774 1.998 -18.469) 21.475 23.554 ( -2.910 -0.411 9.131) 9.592 23.739 ( -2.656 -0.434 -9.458) 9.834 24.404 ( -0.982 0.158 22.250) 22.272 24.770 ( -0.844 -0.174 -13.824) 13.851 ======================= Grid point 345 (118/124) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -18.739 0.333 2.024) 18.851 1.489 ( -17.658 -0.996 -0.540) 17.694 1.792 ( -1.975 -6.650 4.707) 8.383 1.954 ( 1.027 -4.569 -10.266) 11.284 2.468 ( 4.238 3.762 2.908) 6.370 2.504 ( 3.240 2.553 1.683) 4.455 2.709 ( 0.738 1.297 16.756) 16.822 2.773 ( 0.685 -3.392 5.744) 6.706 2.904 ( 2.478 -2.485 2.183) 4.133 3.207 ( -3.458 1.550 -20.531) 20.878 4.541 ( -3.378 -5.053 8.020) 10.063 4.648 ( -3.239 -4.411 -3.086) 6.282 4.869 ( 0.682 -3.303 5.431) 6.393 4.980 ( 6.429 -1.743 -5.580) 8.690 5.344 ( -12.831 -1.366 13.488) 18.666 5.648 ( -9.716 -1.130 -16.264) 18.979 6.146 ( 3.005 15.178 7.890) 17.368 6.244 ( 2.972 16.757 -1.784) 17.111 6.737 ( 3.838 -2.522 7.926) 9.160 6.865 ( 4.226 -1.332 -3.810) 5.844 7.788 ( 7.146 -5.351 20.351) 22.223 8.132 ( 4.509 -1.463 -9.594) 10.701 8.361 ( -2.701 -6.167 -2.769) 7.280 8.415 ( -1.837 -1.890 -5.483) 6.083 9.046 ( -2.417 -0.045 2.327) 3.356 9.090 ( -2.293 -0.090 -2.078) 3.095 11.085 ( 1.901 -1.540 14.838) 15.038 11.416 ( 2.851 0.292 -16.861) 17.102 12.159 ( -3.414 1.262 4.958) 6.150 12.269 ( 0.000 1.605 -6.084) 6.292 13.477 ( -9.737 2.848 11.767) 15.537 13.742 ( -14.085 3.723 -14.618) 20.638 23.537 ( -1.441 -1.731 9.454) 9.719 23.723 ( -1.439 -1.572 -9.204) 9.447 24.396 ( -0.144 -0.030 21.791) 21.792 24.767 ( -0.285 -0.557 -14.594) 14.608 ======================= Grid point 346 (119/124) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -18.809 -0.960 6.597) 19.956 1.292 ( -12.765 -1.912 -6.773) 14.577 1.884 ( -0.138 -7.201 4.993) 8.764 2.006 ( -0.060 -1.598 -6.526) 6.719 2.424 ( 0.864 7.684 3.225) 8.378 2.480 ( 1.470 6.045 -1.272) 6.350 2.668 ( -1.733 1.342 23.325) 23.428 2.842 ( 0.824 -4.845 9.807) 10.969 3.032 ( 5.318 -4.884 -7.724) 10.573 3.150 ( -1.614 1.483 -21.845) 21.955 4.590 ( -1.375 -7.048 9.451) 11.870 4.696 ( -1.047 -7.158 -1.858) 7.469 4.960 ( 3.948 -5.135 8.655) 10.811 5.098 ( 6.342 -1.493 -5.503) 8.529 5.196 ( -11.313 -2.333 12.110) 16.736 5.539 ( -8.364 -2.547 -20.144) 21.959 5.957 ( 1.348 16.569 5.773) 17.597 6.020 ( 0.975 19.221 0.018) 19.246 6.808 ( 2.070 -1.689 8.189) 8.614 6.940 ( 2.870 -1.951 -4.138) 5.401 7.979 ( 7.172 -7.426 19.083) 21.697 8.209 ( 3.675 -0.555 1.520) 4.015 8.402 ( -2.920 -1.887 -6.628) 7.484 8.419 ( -2.278 -6.868 -10.059) 12.391 9.018 ( -1.610 -0.142 2.533) 3.005 9.064 ( -1.528 -0.262 -2.086) 2.599 11.140 ( 1.675 -2.663 13.857) 14.209 11.458 ( 2.982 -0.323 -16.797) 17.062 12.083 ( -2.802 3.591 7.159) 8.485 12.236 ( 0.441 4.359 -7.901) 9.035 13.304 ( -7.043 3.998 8.554) 11.779 13.501 ( -10.351 4.889 -10.978) 15.861 23.560 ( -0.258 -3.237 9.508) 10.048 23.741 ( -0.370 -2.871 -8.616) 9.089 24.400 ( 0.075 -0.729 21.685) 21.697 24.778 ( -0.007 -1.484 -15.249) 15.321 ======================= Grid point 347 (120/124) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 -2.667 10.293) 10.633 1.235 ( 0.000 -3.829 -9.218) 9.981 1.958 ( 0.000 -2.071 2.577) 3.306 1.998 ( -0.000 1.064 -1.849) 2.133 2.304 ( -0.000 9.966 4.186) 10.810 2.389 ( -0.000 8.165 -4.068) 9.122 2.645 ( -0.000 0.524 23.890) 23.896 2.920 ( 0.000 -5.533 11.534) 12.792 3.121 ( -0.000 1.172 -22.190) 22.221 3.143 ( 0.000 -5.427 -10.532) 11.848 4.683 ( 0.000 -7.117 12.094) 14.033 4.808 ( 0.000 -9.742 -2.097) 9.965 5.088 ( 0.000 -0.885 3.472) 3.583 5.125 ( 0.000 -8.091 14.888) 16.944 5.163 ( 0.000 -0.557 -3.855) 3.895 5.520 ( 0.000 -4.307 -22.138) 22.553 5.744 ( -0.000 16.107 4.072) 16.614 5.778 ( -0.000 16.205 1.155) 16.246 6.842 ( 0.000 -1.219 8.822) 8.906 6.989 ( 0.000 -1.983 -5.009) 5.388 8.163 ( 0.000 -9.324 19.328) 21.459 8.234 ( -0.000 0.204 6.977) 6.980 8.380 ( -0.000 0.243 -7.449) 7.453 8.500 ( 0.000 -6.650 -13.530) 15.076 9.009 ( 0.000 -0.412 2.803) 2.833 9.058 ( 0.000 -0.507 -2.095) 2.156 11.197 ( 0.000 -3.481 12.192) 12.680 11.493 ( 0.000 -0.481 -16.604) 16.611 11.992 ( -0.000 5.693 8.200) 9.982 12.159 ( -0.000 6.691 -8.244) 10.617 13.192 ( -0.000 4.813 6.955) 8.458 13.352 ( -0.000 5.661 -8.891) 10.540 23.610 ( 0.000 -3.980 9.301) 10.117 23.785 ( 0.000 -3.624 -8.084) 8.859 24.421 ( 0.000 -2.423 22.184) 22.316 24.809 ( 0.000 -3.139 -15.733) 16.044 ======================= Grid point 354 (121/124) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -9.743 0.000 4.256) 10.632 1.480 ( -24.034 0.000 0.151) 24.034 1.696 ( -5.362 0.000 3.190) 6.239 1.873 ( 1.593 -0.000 -12.208) 12.311 2.520 ( 6.506 -0.000 2.367) 6.923 2.537 ( 5.061 -0.000 3.981) 6.439 2.722 ( -1.229 0.000 5.801) 5.930 2.724 ( 5.204 -0.000 10.553) 11.767 2.880 ( -1.076 0.000 6.665) 6.752 3.233 ( -3.454 0.000 -20.372) 20.663 4.468 ( -4.251 0.000 8.882) 9.846 4.586 ( -3.885 0.000 -3.445) 5.192 4.826 ( 0.304 -0.000 6.509) 6.516 4.957 ( 6.946 -0.000 -6.426) 9.463 5.325 ( -13.051 0.000 13.586) 18.839 5.632 ( -10.193 0.000 -16.509) 19.402 6.405 ( 3.756 -0.000 9.349) 10.075 6.525 ( 5.026 -0.000 -4.192) 6.545 6.656 ( 2.970 -0.000 11.794) 12.162 6.839 ( 2.516 -0.000 -5.230) 5.804 7.698 ( 5.642 -0.000 19.629) 20.423 8.091 ( 3.077 -0.000 -17.541) 17.809 8.275 ( -1.898 0.000 5.101) 5.443 8.389 ( -0.765 0.000 -6.268) 6.314 9.046 ( -2.327 0.000 2.197) 3.200 9.089 ( -2.302 0.000 -2.093) 3.112 11.062 ( 1.301 -0.000 15.860) 15.913 11.417 ( 1.845 -0.000 -18.321) 18.414 12.178 ( -2.023 0.000 5.577) 5.932 12.293 ( 1.662 -0.000 -6.019) 6.244 13.516 ( -9.686 0.000 12.257) 15.622 13.795 ( -14.234 0.000 -15.465) 21.019 23.514 ( -2.167 0.000 9.334) 9.582 23.702 ( -2.010 0.000 -9.566) 9.775 24.397 ( -0.198 0.000 21.639) 21.639 24.761 ( -0.301 0.000 -14.106) 14.109 ======================= Grid point 355 (122/124) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -20.678 -0.133 5.503) 21.398 1.267 ( -13.264 -0.272 -6.432) 14.744 1.703 ( 0.154 -4.371 8.351) 9.427 1.913 ( 0.766 -3.067 -11.803) 12.219 2.572 ( 2.994 2.946 2.405) 4.841 2.592 ( 4.275 2.115 4.932) 6.861 2.716 ( -1.587 1.016 17.459) 17.561 2.745 ( -0.470 -1.705 11.455) 11.591 2.933 ( 5.075 -2.038 -7.537) 9.312 3.189 ( -1.767 0.954 -21.645) 21.738 4.439 ( -2.549 -3.166 9.874) 10.678 4.560 ( -2.033 -2.610 -3.134) 4.557 4.864 ( 3.527 -1.809 14.211) 14.754 5.070 ( 7.955 -0.549 -7.113) 10.685 5.157 ( -10.928 -0.680 10.927) 15.469 5.492 ( -9.761 -0.896 -20.722) 22.923 6.362 ( 1.632 10.832 10.021) 14.847 6.481 ( 1.989 12.256 -2.240) 12.617 6.733 ( 1.889 -4.096 8.903) 9.981 6.884 ( 1.821 -2.021 -4.217) 5.018 7.800 ( 4.262 -4.327 17.931) 18.931 8.157 ( 3.145 -3.391 -14.155) 14.891 8.261 ( -2.453 -2.029 3.855) 4.999 8.382 ( -0.742 -0.402 -6.485) 6.540 9.019 ( -1.414 0.080 2.147) 2.572 9.061 ( -1.511 -0.014 -2.064) 2.558 11.084 ( 0.786 -1.173 15.785) 15.848 11.441 ( 1.206 -0.542 -18.652) 18.699 12.155 ( -0.377 1.426 8.251) 8.382 12.322 ( 3.108 1.724 -8.358) 9.083 13.380 ( -7.254 1.443 9.204) 11.807 13.595 ( -10.847 1.839 -12.242) 16.459 23.499 ( -0.971 -1.164 9.454) 9.575 23.687 ( -0.943 -1.022 -9.457) 9.559 24.396 ( 0.025 0.080 21.248) 21.248 24.760 ( -0.081 -0.177 -14.423) 14.424 ======================= Grid point 356 (123/124) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.000 -0.991 8.723) 8.779 1.171 ( 0.000 -1.048 -9.304) 9.363 1.785 ( 0.000 -6.985 7.644) 10.355 1.967 ( 0.000 -3.767 -9.991) 10.678 2.528 ( -0.000 6.066 2.755) 6.662 2.576 ( -0.000 5.310 -1.638) 5.556 2.670 ( -0.000 1.381 26.025) 26.062 2.789 ( 0.000 -3.843 11.251) 11.890 3.014 ( 0.000 -3.681 -10.682) 11.299 3.160 ( -0.000 1.438 -22.275) 22.321 4.486 ( 0.000 -6.124 10.459) 12.120 4.600 ( 0.000 -5.263 -2.184) 5.698 4.953 ( 0.000 -4.323 21.467) 21.898 5.066 ( 0.000 -0.645 3.792) 3.846 5.149 ( 0.000 -0.380 -4.393) 4.409 5.429 ( 0.000 -2.358 -24.572) 24.685 6.188 ( -0.000 15.519 8.258) 17.580 6.284 ( -0.000 17.776 -1.129) 17.812 6.793 ( 0.000 -2.697 8.265) 8.694 6.930 ( 0.000 -2.394 -4.029) 4.687 7.919 ( 0.000 -7.814 18.598) 20.173 8.237 ( -0.000 0.055 7.003) 7.003 8.282 ( 0.000 -8.268 -16.051) 18.055 8.379 ( 0.000 -0.175 -6.961) 6.963 9.007 ( -0.000 0.117 2.303) 2.306 9.051 ( 0.000 -0.084 -2.047) 2.049 11.115 ( 0.000 -2.346 15.224) 15.404 11.464 ( 0.000 -1.240 -18.558) 18.599 12.119 ( -0.000 3.369 9.342) 9.931 12.308 ( -0.000 3.989 -9.351) 10.166 13.297 ( -0.000 2.727 7.636) 8.108 13.477 ( -0.000 3.341 -10.351) 10.877 23.518 ( 0.000 -2.477 9.515) 9.833 23.703 ( 0.000 -2.168 -9.060) 9.316 24.396 ( 0.000 -0.076 21.213) 21.213 24.764 ( 0.000 -0.610 -14.823) 14.835 ======================= Grid point 366 (124/124) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 -0.000 8.354) 8.354 1.160 ( 0.000 -0.000 -9.672) 9.672 1.675 ( -0.000 0.000 9.373) 9.373 1.897 ( 0.000 -0.000 -12.157) 12.157 2.614 ( 0.000 -0.000 2.623) 2.623 2.661 ( -0.000 0.000 -2.207) 2.207 2.694 ( 0.000 -0.000 26.338) 26.338 2.724 ( 0.000 -0.000 12.393) 12.393 2.961 ( 0.000 -0.000 -10.926) 10.926 3.182 ( -0.000 0.000 -22.054) 22.054 4.397 ( 0.000 -0.000 10.772) 10.772 4.527 ( 0.000 -0.000 -3.428) 3.428 4.894 ( 0.000 -0.000 23.877) 23.877 5.057 ( 0.000 -0.000 3.961) 3.961 5.144 ( 0.000 -0.000 -4.615) 4.615 5.396 ( -0.000 0.000 -25.328) 25.328 6.455 ( 0.000 -0.000 11.373) 11.373 6.600 ( -0.000 0.000 -5.033) 5.033 6.698 ( 0.000 -0.000 11.695) 11.695 6.877 ( 0.000 -0.000 -4.522) 4.522 7.799 ( 0.000 -0.000 16.290) 16.290 8.145 ( -0.000 0.000 -16.197) 16.197 8.238 ( 0.000 -0.000 6.926) 6.926 8.376 ( 0.000 -0.000 -6.627) 6.627 9.009 ( 0.000 -0.000 2.012) 2.012 9.050 ( 0.000 -0.000 -2.002) 2.002 11.081 ( 0.000 -0.000 16.043) 16.043 11.444 ( 0.000 -0.000 -19.031) 19.031 12.166 ( 0.000 -0.000 9.782) 9.782 12.364 ( 0.000 -0.000 -9.775) 9.775 13.335 ( 0.000 -0.000 7.922) 7.922 13.524 ( 0.000 -0.000 -10.982) 10.982 23.483 ( 0.000 -0.000 9.447) 9.447 23.673 ( 0.000 -0.000 -9.588) 9.588 24.397 ( 0.000 -0.000 21.078) 21.078 24.758 ( 0.000 -0.000 -14.355) 14.355 =================== 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 3/25200 10.0 167.765 102.600 117.352 0.000 0.000 -0.000 3/25200 20.0 55.841 29.021 47.322 0.000 0.000 -0.000 3/25200 30.0 31.884 16.672 30.069 0.000 0.000 -0.000 3/25200 40.0 21.106 11.113 21.175 0.000 0.000 -0.000 3/25200 50.0 15.088 7.958 15.703 0.000 0.000 -0.000 3/25200 60.0 11.434 6.035 12.185 0.000 0.000 -0.000 3/25200 70.0 9.081 4.799 9.838 0.000 0.000 -0.000 3/25200 80.0 7.486 3.963 8.208 0.000 0.000 -0.000 3/25200 90.0 6.355 3.370 7.033 0.000 0.000 -0.000 3/25200 100.0 5.522 2.933 6.156 0.000 0.000 -0.000 3/25200 110.0 4.887 2.599 5.483 0.000 0.000 -0.000 3/25200 120.0 4.391 2.336 4.955 0.000 0.000 -0.000 3/25200 130.0 3.993 2.126 4.533 0.000 0.000 -0.000 3/25200 140.0 3.667 1.953 4.191 0.000 0.000 -0.000 3/25200 150.0 3.396 1.810 3.910 0.000 0.000 -0.000 3/25200 160.0 3.167 1.689 3.678 0.000 0.000 -0.000 3/25200 170.0 2.971 1.585 3.484 0.000 0.000 -0.000 3/25200 180.0 2.801 1.496 3.321 0.000 0.000 -0.000 3/25200 190.0 2.652 1.419 3.183 0.000 0.000 -0.000 3/25200 200.0 2.520 1.351 3.065 0.000 0.000 -0.000 3/25200 210.0 2.403 1.290 2.964 0.000 0.000 -0.000 3/25200 220.0 2.297 1.237 2.877 0.000 0.000 -0.000 3/25200 230.0 2.202 1.188 2.800 0.000 0.000 -0.000 3/25200 240.0 2.115 1.145 2.733 0.000 0.000 -0.000 3/25200 250.0 2.036 1.105 2.673 0.000 0.000 -0.000 3/25200 260.0 1.964 1.069 2.620 0.000 0.000 -0.000 3/25200 270.0 1.897 1.036 2.571 0.000 0.000 -0.000 3/25200 280.0 1.835 1.006 2.527 0.000 0.000 -0.000 3/25200 290.0 1.777 0.977 2.486 0.000 0.000 -0.000 3/25200 300.0 1.723 0.951 2.448 0.000 0.000 -0.000 3/25200 310.0 1.673 0.926 2.412 0.000 0.000 -0.000 3/25200 320.0 1.626 0.903 2.378 0.000 0.000 -0.000 3/25200 330.0 1.581 0.882 2.345 0.000 0.000 -0.000 3/25200 340.0 1.539 0.861 2.314 0.000 0.000 -0.000 3/25200 350.0 1.500 0.842 2.284 0.000 0.000 -0.000 3/25200 360.0 1.463 0.823 2.256 0.000 0.000 -0.000 3/25200 370.0 1.427 0.806 2.228 0.000 0.000 -0.000 3/25200 380.0 1.393 0.789 2.200 0.000 0.000 -0.000 3/25200 390.0 1.361 0.774 2.174 0.000 0.000 -0.000 3/25200 400.0 1.331 0.758 2.148 0.000 0.000 -0.000 3/25200 410.0 1.302 0.744 2.122 0.000 0.000 -0.000 3/25200 420.0 1.274 0.730 2.097 0.000 0.000 -0.000 3/25200 430.0 1.247 0.717 2.073 0.000 0.000 -0.000 3/25200 440.0 1.222 0.704 2.049 0.000 0.000 -0.000 3/25200 450.0 1.197 0.692 2.025 0.000 0.000 -0.000 3/25200 460.0 1.174 0.680 2.002 0.000 0.000 -0.000 3/25200 470.0 1.151 0.668 1.979 0.000 0.000 -0.000 3/25200 480.0 1.129 0.657 1.957 0.000 0.000 -0.000 3/25200 490.0 1.108 0.646 1.935 0.000 0.000 -0.000 3/25200 500.0 1.088 0.636 1.913 0.000 0.000 -0.000 3/25200 510.0 1.069 0.626 1.891 0.000 0.000 -0.000 3/25200 520.0 1.050 0.616 1.870 0.000 0.000 -0.000 3/25200 530.0 1.032 0.607 1.850 0.000 0.000 -0.000 3/25200 540.0 1.015 0.598 1.829 0.000 0.000 -0.000 3/25200 550.0 0.998 0.589 1.809 0.000 0.000 -0.000 3/25200 560.0 0.981 0.580 1.789 0.000 0.000 -0.000 3/25200 570.0 0.966 0.572 1.770 0.000 0.000 -0.000 3/25200 580.0 0.950 0.564 1.751 0.000 0.000 -0.000 3/25200 590.0 0.936 0.556 1.732 0.000 0.000 -0.000 3/25200 600.0 0.921 0.549 1.714 0.000 0.000 -0.000 3/25200 610.0 0.907 0.541 1.695 0.000 0.000 -0.000 3/25200 620.0 0.894 0.534 1.678 0.000 0.000 -0.000 3/25200 630.0 0.881 0.527 1.660 0.000 0.000 -0.000 3/25200 640.0 0.868 0.520 1.643 0.000 0.000 -0.000 3/25200 650.0 0.856 0.513 1.626 0.000 0.000 -0.000 3/25200 660.0 0.844 0.507 1.609 0.000 0.000 -0.000 3/25200 670.0 0.832 0.500 1.592 0.000 0.000 -0.000 3/25200 680.0 0.820 0.494 1.576 0.000 0.000 -0.000 3/25200 690.0 0.809 0.488 1.560 0.000 0.000 -0.000 3/25200 700.0 0.799 0.482 1.545 0.000 0.000 -0.000 3/25200 710.0 0.788 0.476 1.529 0.000 0.000 -0.000 3/25200 720.0 0.778 0.471 1.514 0.000 0.000 -0.000 3/25200 730.0 0.768 0.465 1.499 0.000 0.000 -0.000 3/25200 740.0 0.758 0.460 1.484 0.000 0.000 -0.000 3/25200 750.0 0.749 0.454 1.470 0.000 0.000 -0.000 3/25200 760.0 0.739 0.449 1.456 0.000 0.000 -0.000 3/25200 770.0 0.730 0.444 1.442 0.000 0.000 -0.000 3/25200 780.0 0.722 0.439 1.428 0.000 0.000 -0.000 3/25200 790.0 0.713 0.434 1.415 0.000 0.000 -0.000 3/25200 800.0 0.705 0.430 1.401 0.000 0.000 -0.000 3/25200 810.0 0.696 0.425 1.388 0.000 0.000 -0.000 3/25200 820.0 0.688 0.421 1.375 0.000 0.000 -0.000 3/25200 830.0 0.681 0.416 1.363 0.000 0.000 -0.000 3/25200 840.0 0.673 0.412 1.350 0.000 0.000 -0.000 3/25200 850.0 0.665 0.408 1.338 0.000 0.000 -0.000 3/25200 860.0 0.658 0.403 1.326 0.000 0.000 -0.000 3/25200 870.0 0.651 0.399 1.314 0.000 0.000 -0.000 3/25200 880.0 0.644 0.395 1.303 0.000 0.000 -0.000 3/25200 890.0 0.637 0.391 1.291 0.000 0.000 -0.000 3/25200 900.0 0.630 0.388 1.280 0.000 0.000 -0.000 3/25200 910.0 0.624 0.384 1.269 0.000 0.000 -0.000 3/25200 920.0 0.617 0.380 1.258 0.000 0.000 -0.000 3/25200 930.0 0.611 0.376 1.247 0.000 0.000 -0.000 3/25200 940.0 0.605 0.373 1.236 0.000 0.000 -0.000 3/25200 950.0 0.599 0.369 1.226 0.000 0.000 -0.000 3/25200 960.0 0.593 0.366 1.216 0.000 0.000 -0.000 3/25200 970.0 0.587 0.363 1.205 0.000 0.000 -0.000 3/25200 980.0 0.581 0.359 1.195 0.000 0.000 -0.000 3/25200 990.0 0.576 0.356 1.186 0.000 0.000 -0.000 3/25200 1000.0 0.570 0.353 1.176 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:35:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|