----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:00:04]------------------------- 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: [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.258517738945100 -2.178960044999999 0.000000000000000 b 7.258517738945100 2.178960044999999 0.000000000000000 c -3.275522539787578 0.000000000000000 10.081496818983940 Atomic positions (fractional): *1 Bi 0.17503736196975 0.17503736196975 0.98431147530686 208.980 *2 Bi 0.80368475897397 0.80368475897397 0.71872574450619 208.980 3 Bi 0.19631524102603 0.19631524102603 0.28127425549381 208.980 4 Bi 0.82496263803025 0.82496263803025 0.01568852469314 208.980 *5 I 0.46271658765994 0.46271658765994 0.78496709449094 126.904 6 I 0.53728341234006 0.53728341234006 0.21503290550906 126.904 *7 I 0.85455957940847 0.85455957940847 0.38230959706481 126.904 8 I 0.14544042059153 0.14544042059153 0.61769040293519 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.517035477890200 0.000000000000000 0.000000000000000 b 0.000000000000000 4.357920089999999 0.000000000000000 c -3.275522539787578 0.000000000000000 10.081496818983940 Atomic positions (fractional): *1 Bi 0.17503736196975 0.00000000000000 0.98431147530686 208.980 > 1 *2 Bi 0.30368475897397 0.50000000000000 0.71872574450619 208.980 > 2 3 Bi 0.19631524102603 0.00000000000000 0.28127425549381 208.980 > 3 4 Bi 0.32496263803025 0.50000000000000 0.01568852469314 208.980 > 4 5 Bi 0.67503736196975 0.50000000000000 0.98431147530686 208.980 > 1 6 Bi 0.80368475897397 0.00000000000000 0.71872574450619 208.980 > 2 7 Bi 0.69631524102603 0.50000000000000 0.28127425549381 208.980 > 3 8 Bi 0.82496263803025 0.00000000000000 0.01568852469314 208.980 > 4 *9 I 0.46271658765994 0.00000000000000 0.78496709449094 126.904 > 5 10 I 0.03728341234006 0.50000000000000 0.21503290550906 126.904 > 6 *11 I 0.35455957940847 0.50000000000000 0.38230959706481 126.904 > 7 12 I 0.14544042059153 0.00000000000000 0.61769040293519 126.904 > 8 13 I 0.96271658765994 0.50000000000000 0.78496709449094 126.904 > 5 14 I 0.53728341234006 0.00000000000000 0.21503290550906 126.904 > 6 15 I 0.85455957940847 0.00000000000000 0.38230959706481 126.904 > 7 16 I 0.64544042059153 0.50000000000000 0.61769040293519 126.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.517035477890200 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431680359999994 0.000000000000000 c -6.551045079575156 0.000000000000000 20.162993637967880 Atomic positions (fractional): *1 Bi 0.17503736196975 0.00000000000000 0.49215573765343 208.980 > 1 2 Bi 0.17503736196975 0.25000000000000 0.49215573765343 208.980 > 1 3 Bi 0.17503736196975 0.50000000000000 0.49215573765343 208.980 > 1 4 Bi 0.17503736196975 0.75000000000000 0.49215573765343 208.980 > 1 5 Bi 0.17503736196975 0.00000000000000 0.99215573765343 208.980 > 1 6 Bi 0.17503736196975 0.25000000000000 0.99215573765343 208.980 > 1 7 Bi 0.17503736196975 0.50000000000000 0.99215573765343 208.980 > 1 8 Bi 0.17503736196975 0.75000000000000 0.99215573765343 208.980 > 1 *9 Bi 0.30368475897397 0.12500000000000 0.35936287225309 208.980 > 2 10 Bi 0.30368475897397 0.37500000000000 0.35936287225309 208.980 > 2 11 Bi 0.30368475897397 0.62500000000000 0.35936287225309 208.980 > 2 12 Bi 0.30368475897397 0.87500000000000 0.35936287225309 208.980 > 2 13 Bi 0.30368475897397 0.12500000000000 0.85936287225309 208.980 > 2 14 Bi 0.30368475897397 0.37500000000000 0.85936287225309 208.980 > 2 15 Bi 0.30368475897397 0.62500000000000 0.85936287225309 208.980 > 2 16 Bi 0.30368475897397 0.87500000000000 0.85936287225309 208.980 > 2 17 Bi 0.19631524102603 0.00000000000000 0.14063712774691 208.980 > 3 18 Bi 0.19631524102603 0.25000000000000 0.14063712774691 208.980 > 3 19 Bi 0.19631524102603 0.50000000000000 0.14063712774691 208.980 > 3 20 Bi 0.19631524102603 0.75000000000000 0.14063712774691 208.980 > 3 21 Bi 0.19631524102603 0.00000000000000 0.64063712774691 208.980 > 3 22 Bi 0.19631524102603 0.25000000000000 0.64063712774691 208.980 > 3 23 Bi 0.19631524102603 0.50000000000000 0.64063712774691 208.980 > 3 24 Bi 0.19631524102603 0.75000000000000 0.64063712774691 208.980 > 3 25 Bi 0.32496263803025 0.12500000000000 0.00784426234657 208.980 > 4 26 Bi 0.32496263803025 0.37500000000000 0.00784426234657 208.980 > 4 27 Bi 0.32496263803025 0.62500000000000 0.00784426234657 208.980 > 4 28 Bi 0.32496263803025 0.87500000000000 0.00784426234657 208.980 > 4 29 Bi 0.32496263803025 0.12500000000000 0.50784426234657 208.980 > 4 30 Bi 0.32496263803025 0.37500000000000 0.50784426234657 208.980 > 4 31 Bi 0.32496263803025 0.62500000000000 0.50784426234657 208.980 > 4 32 Bi 0.32496263803025 0.87500000000000 0.50784426234657 208.980 > 4 33 Bi 0.67503736196975 0.12500000000000 0.49215573765343 208.980 > 1 34 Bi 0.67503736196975 0.37500000000000 0.49215573765343 208.980 > 1 35 Bi 0.67503736196975 0.62500000000000 0.49215573765343 208.980 > 1 36 Bi 0.67503736196975 0.87500000000000 0.49215573765343 208.980 > 1 37 Bi 0.67503736196975 0.12500000000000 0.99215573765343 208.980 > 1 38 Bi 0.67503736196975 0.37500000000000 0.99215573765343 208.980 > 1 39 Bi 0.67503736196975 0.62500000000000 0.99215573765343 208.980 > 1 40 Bi 0.67503736196975 0.87500000000000 0.99215573765343 208.980 > 1 41 Bi 0.80368475897397 0.00000000000000 0.35936287225309 208.980 > 2 42 Bi 0.80368475897397 0.25000000000000 0.35936287225309 208.980 > 2 43 Bi 0.80368475897397 0.50000000000000 0.35936287225309 208.980 > 2 44 Bi 0.80368475897397 0.75000000000000 0.35936287225309 208.980 > 2 45 Bi 0.80368475897397 0.00000000000000 0.85936287225309 208.980 > 2 46 Bi 0.80368475897397 0.25000000000000 0.85936287225309 208.980 > 2 47 Bi 0.80368475897397 0.50000000000000 0.85936287225309 208.980 > 2 48 Bi 0.80368475897397 0.75000000000000 0.85936287225309 208.980 > 2 49 Bi 0.69631524102603 0.12500000000000 0.14063712774691 208.980 > 3 50 Bi 0.69631524102603 0.37500000000000 0.14063712774691 208.980 > 3 51 Bi 0.69631524102603 0.62500000000000 0.14063712774691 208.980 > 3 52 Bi 0.69631524102603 0.87500000000000 0.14063712774691 208.980 > 3 53 Bi 0.69631524102603 0.12500000000000 0.64063712774691 208.980 > 3 54 Bi 0.69631524102603 0.37500000000000 0.64063712774691 208.980 > 3 55 Bi 0.69631524102603 0.62500000000000 0.64063712774691 208.980 > 3 56 Bi 0.69631524102603 0.87500000000000 0.64063712774691 208.980 > 3 57 Bi 0.82496263803025 0.00000000000000 0.00784426234657 208.980 > 4 58 Bi 0.82496263803025 0.25000000000000 0.00784426234657 208.980 > 4 59 Bi 0.82496263803025 0.50000000000000 0.00784426234657 208.980 > 4 60 Bi 0.82496263803025 0.75000000000000 0.00784426234657 208.980 > 4 61 Bi 0.82496263803025 0.00000000000000 0.50784426234657 208.980 > 4 62 Bi 0.82496263803025 0.25000000000000 0.50784426234657 208.980 > 4 63 Bi 0.82496263803025 0.50000000000000 0.50784426234657 208.980 > 4 64 Bi 0.82496263803025 0.75000000000000 0.50784426234657 208.980 > 4 *65 I 0.46271658765994 0.00000000000000 0.39248354724547 126.904 > 5 66 I 0.46271658765994 0.25000000000000 0.39248354724547 126.904 > 5 67 I 0.46271658765994 0.50000000000000 0.39248354724547 126.904 > 5 68 I 0.46271658765994 0.75000000000000 0.39248354724547 126.904 > 5 69 I 0.46271658765994 0.00000000000000 0.89248354724547 126.904 > 5 70 I 0.46271658765994 0.25000000000000 0.89248354724547 126.904 > 5 71 I 0.46271658765994 0.50000000000000 0.89248354724547 126.904 > 5 72 I 0.46271658765994 0.75000000000000 0.89248354724547 126.904 > 5 73 I 0.03728341234006 0.12500000000000 0.10751645275453 126.904 > 6 74 I 0.03728341234006 0.37500000000000 0.10751645275453 126.904 > 6 75 I 0.03728341234006 0.62500000000000 0.10751645275453 126.904 > 6 76 I 0.03728341234006 0.87500000000000 0.10751645275453 126.904 > 6 77 I 0.03728341234006 0.12500000000000 0.60751645275453 126.904 > 6 78 I 0.03728341234006 0.37500000000000 0.60751645275453 126.904 > 6 79 I 0.03728341234006 0.62500000000000 0.60751645275453 126.904 > 6 80 I 0.03728341234006 0.87500000000000 0.60751645275453 126.904 > 6 *81 I 0.35455957940847 0.12500000000000 0.19115479853241 126.904 > 7 82 I 0.35455957940847 0.37500000000000 0.19115479853241 126.904 > 7 83 I 0.35455957940847 0.62500000000000 0.19115479853241 126.904 > 7 84 I 0.35455957940847 0.87500000000000 0.19115479853241 126.904 > 7 85 I 0.35455957940847 0.12500000000000 0.69115479853241 126.904 > 7 86 I 0.35455957940847 0.37500000000000 0.69115479853241 126.904 > 7 87 I 0.35455957940847 0.62500000000000 0.69115479853241 126.904 > 7 88 I 0.35455957940847 0.87500000000000 0.69115479853241 126.904 > 7 89 I 0.14544042059153 0.00000000000000 0.30884520146759 126.904 > 8 90 I 0.14544042059153 0.25000000000000 0.30884520146759 126.904 > 8 91 I 0.14544042059153 0.50000000000000 0.30884520146759 126.904 > 8 92 I 0.14544042059153 0.75000000000000 0.30884520146759 126.904 > 8 93 I 0.14544042059153 0.00000000000000 0.80884520146759 126.904 > 8 94 I 0.14544042059153 0.25000000000000 0.80884520146759 126.904 > 8 95 I 0.14544042059153 0.50000000000000 0.80884520146759 126.904 > 8 96 I 0.14544042059153 0.75000000000000 0.80884520146759 126.904 > 8 97 I 0.96271658765994 0.12500000000000 0.39248354724547 126.904 > 5 98 I 0.96271658765994 0.37500000000000 0.39248354724547 126.904 > 5 99 I 0.96271658765994 0.62500000000000 0.39248354724547 126.904 > 5 100 I 0.96271658765994 0.87500000000000 0.39248354724547 126.904 > 5 101 I 0.96271658765994 0.12500000000000 0.89248354724547 126.904 > 5 102 I 0.96271658765994 0.37500000000000 0.89248354724547 126.904 > 5 103 I 0.96271658765994 0.62500000000000 0.89248354724547 126.904 > 5 104 I 0.96271658765994 0.87500000000000 0.89248354724547 126.904 > 5 105 I 0.53728341234006 0.00000000000000 0.10751645275453 126.904 > 6 106 I 0.53728341234006 0.25000000000000 0.10751645275453 126.904 > 6 107 I 0.53728341234006 0.50000000000000 0.10751645275453 126.904 > 6 108 I 0.53728341234006 0.75000000000000 0.10751645275453 126.904 > 6 109 I 0.53728341234006 0.00000000000000 0.60751645275453 126.904 > 6 110 I 0.53728341234006 0.25000000000000 0.60751645275453 126.904 > 6 111 I 0.53728341234006 0.50000000000000 0.60751645275453 126.904 > 6 112 I 0.53728341234006 0.75000000000000 0.60751645275453 126.904 > 6 113 I 0.85455957940847 0.00000000000000 0.19115479853241 126.904 > 7 114 I 0.85455957940847 0.25000000000000 0.19115479853241 126.904 > 7 115 I 0.85455957940847 0.50000000000000 0.19115479853241 126.904 > 7 116 I 0.85455957940847 0.75000000000000 0.19115479853241 126.904 > 7 117 I 0.85455957940847 0.00000000000000 0.69115479853241 126.904 > 7 118 I 0.85455957940847 0.25000000000000 0.69115479853241 126.904 > 7 119 I 0.85455957940847 0.50000000000000 0.69115479853241 126.904 > 7 120 I 0.85455957940847 0.75000000000000 0.69115479853241 126.904 > 7 121 I 0.64544042059153 0.12500000000000 0.30884520146759 126.904 > 8 122 I 0.64544042059153 0.37500000000000 0.30884520146759 126.904 > 8 123 I 0.64544042059153 0.62500000000000 0.30884520146759 126.904 > 8 124 I 0.64544042059153 0.87500000000000 0.30884520146759 126.904 > 8 125 I 0.64544042059153 0.12500000000000 0.80884520146759 126.904 > 8 126 I 0.64544042059153 0.37500000000000 0.80884520146759 126.904 > 8 127 I 0.64544042059153 0.62500000000000 0.80884520146759 126.904 > 8 128 I 0.64544042059153 0.87500000000000 0.80884520146759 126.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4440341 0.0000000 0.0127273 0.0000000 14.1718944 0.0000000 0.0127542 0.0000000 9.1654499 -------------------------- Born effective charges -------------------------- 1 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 2 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 3 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 4 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 5 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 6 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 7 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 8 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 6000/6000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1304 Number of blocks in projector: 1304 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1304, 1285), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (320, 313), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.785 Solver_block: 200 / 240 - Time: 1.800 Solver_block: 240 / 240 - Time: 0.794 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.409 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 6000/6000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1304 Number of blocks in projector: 1304 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1304, 1285), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (320, 313), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 18:00:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:00:21]------------------------- 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): [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.258517738945100 -2.178960044999999 0.000000000000000 b 7.258517738945100 2.178960044999999 0.000000000000000 c -3.275522539787578 0.000000000000000 10.081496818983940 Atomic positions (fractional): 1 Bi 0.17503736196975 0.17503736196975 0.98431147530686 208.980 2 Bi 0.80368475897397 0.80368475897397 0.71872574450619 208.980 3 Bi 0.19631524102603 0.19631524102603 0.28127425549381 208.980 4 Bi 0.82496263803025 0.82496263803025 0.01568852469314 208.980 5 I 0.46271658765994 0.46271658765994 0.78496709449094 126.904 6 I 0.53728341234006 0.53728341234006 0.21503290550906 126.904 7 I 0.85455957940847 0.85455957940847 0.38230959706481 126.904 8 I 0.14544042059153 0.14544042059153 0.61769040293519 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.517035477890200 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431680359999994 0.000000000000000 c -6.551045079575156 0.000000000000000 20.162993637967880 Atomic positions (fractional): 1 Bi 0.17503736196975 0.00000000000000 0.49215573765343 208.980 > 1 2 Bi 0.17503736196975 0.25000000000000 0.49215573765343 208.980 > 1 3 Bi 0.17503736196975 0.50000000000000 0.49215573765343 208.980 > 1 4 Bi 0.17503736196975 0.75000000000000 0.49215573765343 208.980 > 1 5 Bi 0.17503736196975 0.00000000000000 0.99215573765343 208.980 > 1 6 Bi 0.17503736196975 0.25000000000000 0.99215573765343 208.980 > 1 7 Bi 0.17503736196975 0.50000000000000 0.99215573765343 208.980 > 1 8 Bi 0.17503736196975 0.75000000000000 0.99215573765343 208.980 > 1 9 Bi 0.30368475897397 0.12500000000000 0.35936287225309 208.980 > 9 10 Bi 0.30368475897397 0.37500000000000 0.35936287225309 208.980 > 9 11 Bi 0.30368475897397 0.62500000000000 0.35936287225309 208.980 > 9 12 Bi 0.30368475897397 0.87500000000000 0.35936287225309 208.980 > 9 13 Bi 0.30368475897397 0.12500000000000 0.85936287225309 208.980 > 9 14 Bi 0.30368475897397 0.37500000000000 0.85936287225309 208.980 > 9 15 Bi 0.30368475897397 0.62500000000000 0.85936287225309 208.980 > 9 16 Bi 0.30368475897397 0.87500000000000 0.85936287225309 208.980 > 9 17 Bi 0.19631524102603 0.00000000000000 0.14063712774691 208.980 > 17 18 Bi 0.19631524102603 0.25000000000000 0.14063712774691 208.980 > 17 19 Bi 0.19631524102603 0.50000000000000 0.14063712774691 208.980 > 17 20 Bi 0.19631524102603 0.75000000000000 0.14063712774691 208.980 > 17 21 Bi 0.19631524102603 0.00000000000000 0.64063712774691 208.980 > 17 22 Bi 0.19631524102603 0.25000000000000 0.64063712774691 208.980 > 17 23 Bi 0.19631524102603 0.50000000000000 0.64063712774691 208.980 > 17 24 Bi 0.19631524102603 0.75000000000000 0.64063712774691 208.980 > 17 25 Bi 0.32496263803025 0.12500000000000 0.00784426234657 208.980 > 25 26 Bi 0.32496263803025 0.37500000000000 0.00784426234657 208.980 > 25 27 Bi 0.32496263803025 0.62500000000000 0.00784426234657 208.980 > 25 28 Bi 0.32496263803025 0.87500000000000 0.00784426234657 208.980 > 25 29 Bi 0.32496263803025 0.12500000000000 0.50784426234657 208.980 > 25 30 Bi 0.32496263803025 0.37500000000000 0.50784426234657 208.980 > 25 31 Bi 0.32496263803025 0.62500000000000 0.50784426234657 208.980 > 25 32 Bi 0.32496263803025 0.87500000000000 0.50784426234657 208.980 > 25 33 Bi 0.67503736196975 0.12500000000000 0.49215573765343 208.980 > 1 34 Bi 0.67503736196975 0.37500000000000 0.49215573765343 208.980 > 1 35 Bi 0.67503736196975 0.62500000000000 0.49215573765343 208.980 > 1 36 Bi 0.67503736196975 0.87500000000000 0.49215573765343 208.980 > 1 37 Bi 0.67503736196975 0.12500000000000 0.99215573765343 208.980 > 1 38 Bi 0.67503736196975 0.37500000000000 0.99215573765343 208.980 > 1 39 Bi 0.67503736196975 0.62500000000000 0.99215573765343 208.980 > 1 40 Bi 0.67503736196975 0.87500000000000 0.99215573765343 208.980 > 1 41 Bi 0.80368475897397 0.00000000000000 0.35936287225309 208.980 > 9 42 Bi 0.80368475897397 0.25000000000000 0.35936287225309 208.980 > 9 43 Bi 0.80368475897397 0.50000000000000 0.35936287225309 208.980 > 9 44 Bi 0.80368475897397 0.75000000000000 0.35936287225309 208.980 > 9 45 Bi 0.80368475897397 0.00000000000000 0.85936287225309 208.980 > 9 46 Bi 0.80368475897397 0.25000000000000 0.85936287225309 208.980 > 9 47 Bi 0.80368475897397 0.50000000000000 0.85936287225309 208.980 > 9 48 Bi 0.80368475897397 0.75000000000000 0.85936287225309 208.980 > 9 49 Bi 0.69631524102603 0.12500000000000 0.14063712774691 208.980 > 17 50 Bi 0.69631524102603 0.37500000000000 0.14063712774691 208.980 > 17 51 Bi 0.69631524102603 0.62500000000000 0.14063712774691 208.980 > 17 52 Bi 0.69631524102603 0.87500000000000 0.14063712774691 208.980 > 17 53 Bi 0.69631524102603 0.12500000000000 0.64063712774691 208.980 > 17 54 Bi 0.69631524102603 0.37500000000000 0.64063712774691 208.980 > 17 55 Bi 0.69631524102603 0.62500000000000 0.64063712774691 208.980 > 17 56 Bi 0.69631524102603 0.87500000000000 0.64063712774691 208.980 > 17 57 Bi 0.82496263803025 0.00000000000000 0.00784426234657 208.980 > 25 58 Bi 0.82496263803025 0.25000000000000 0.00784426234657 208.980 > 25 59 Bi 0.82496263803025 0.50000000000000 0.00784426234657 208.980 > 25 60 Bi 0.82496263803025 0.75000000000000 0.00784426234657 208.980 > 25 61 Bi 0.82496263803025 0.00000000000000 0.50784426234657 208.980 > 25 62 Bi 0.82496263803025 0.25000000000000 0.50784426234657 208.980 > 25 63 Bi 0.82496263803025 0.50000000000000 0.50784426234657 208.980 > 25 64 Bi 0.82496263803025 0.75000000000000 0.50784426234657 208.980 > 25 65 I 0.46271658765994 0.00000000000000 0.39248354724547 126.904 > 65 66 I 0.46271658765994 0.25000000000000 0.39248354724547 126.904 > 65 67 I 0.46271658765994 0.50000000000000 0.39248354724547 126.904 > 65 68 I 0.46271658765994 0.75000000000000 0.39248354724547 126.904 > 65 69 I 0.46271658765994 0.00000000000000 0.89248354724547 126.904 > 65 70 I 0.46271658765994 0.25000000000000 0.89248354724547 126.904 > 65 71 I 0.46271658765994 0.50000000000000 0.89248354724547 126.904 > 65 72 I 0.46271658765994 0.75000000000000 0.89248354724547 126.904 > 65 73 I 0.03728341234006 0.12500000000000 0.10751645275453 126.904 > 73 74 I 0.03728341234006 0.37500000000000 0.10751645275453 126.904 > 73 75 I 0.03728341234006 0.62500000000000 0.10751645275453 126.904 > 73 76 I 0.03728341234006 0.87500000000000 0.10751645275453 126.904 > 73 77 I 0.03728341234006 0.12500000000000 0.60751645275453 126.904 > 73 78 I 0.03728341234006 0.37500000000000 0.60751645275453 126.904 > 73 79 I 0.03728341234006 0.62500000000000 0.60751645275453 126.904 > 73 80 I 0.03728341234006 0.87500000000000 0.60751645275453 126.904 > 73 81 I 0.35455957940847 0.12500000000000 0.19115479853241 126.904 > 81 82 I 0.35455957940847 0.37500000000000 0.19115479853241 126.904 > 81 83 I 0.35455957940847 0.62500000000000 0.19115479853241 126.904 > 81 84 I 0.35455957940847 0.87500000000000 0.19115479853241 126.904 > 81 85 I 0.35455957940847 0.12500000000000 0.69115479853241 126.904 > 81 86 I 0.35455957940847 0.37500000000000 0.69115479853241 126.904 > 81 87 I 0.35455957940847 0.62500000000000 0.69115479853241 126.904 > 81 88 I 0.35455957940847 0.87500000000000 0.69115479853241 126.904 > 81 89 I 0.14544042059153 0.00000000000000 0.30884520146759 126.904 > 89 90 I 0.14544042059153 0.25000000000000 0.30884520146759 126.904 > 89 91 I 0.14544042059153 0.50000000000000 0.30884520146759 126.904 > 89 92 I 0.14544042059153 0.75000000000000 0.30884520146759 126.904 > 89 93 I 0.14544042059153 0.00000000000000 0.80884520146759 126.904 > 89 94 I 0.14544042059153 0.25000000000000 0.80884520146759 126.904 > 89 95 I 0.14544042059153 0.50000000000000 0.80884520146759 126.904 > 89 96 I 0.14544042059153 0.75000000000000 0.80884520146759 126.904 > 89 97 I 0.96271658765994 0.12500000000000 0.39248354724547 126.904 > 65 98 I 0.96271658765994 0.37500000000000 0.39248354724547 126.904 > 65 99 I 0.96271658765994 0.62500000000000 0.39248354724547 126.904 > 65 100 I 0.96271658765994 0.87500000000000 0.39248354724547 126.904 > 65 101 I 0.96271658765994 0.12500000000000 0.89248354724547 126.904 > 65 102 I 0.96271658765994 0.37500000000000 0.89248354724547 126.904 > 65 103 I 0.96271658765994 0.62500000000000 0.89248354724547 126.904 > 65 104 I 0.96271658765994 0.87500000000000 0.89248354724547 126.904 > 65 105 I 0.53728341234006 0.00000000000000 0.10751645275453 126.904 > 73 106 I 0.53728341234006 0.25000000000000 0.10751645275453 126.904 > 73 107 I 0.53728341234006 0.50000000000000 0.10751645275453 126.904 > 73 108 I 0.53728341234006 0.75000000000000 0.10751645275453 126.904 > 73 109 I 0.53728341234006 0.00000000000000 0.60751645275453 126.904 > 73 110 I 0.53728341234006 0.25000000000000 0.60751645275453 126.904 > 73 111 I 0.53728341234006 0.50000000000000 0.60751645275453 126.904 > 73 112 I 0.53728341234006 0.75000000000000 0.60751645275453 126.904 > 73 113 I 0.85455957940847 0.00000000000000 0.19115479853241 126.904 > 81 114 I 0.85455957940847 0.25000000000000 0.19115479853241 126.904 > 81 115 I 0.85455957940847 0.50000000000000 0.19115479853241 126.904 > 81 116 I 0.85455957940847 0.75000000000000 0.19115479853241 126.904 > 81 117 I 0.85455957940847 0.00000000000000 0.69115479853241 126.904 > 81 118 I 0.85455957940847 0.25000000000000 0.69115479853241 126.904 > 81 119 I 0.85455957940847 0.50000000000000 0.69115479853241 126.904 > 81 120 I 0.85455957940847 0.75000000000000 0.69115479853241 126.904 > 81 121 I 0.64544042059153 0.12500000000000 0.30884520146759 126.904 > 89 122 I 0.64544042059153 0.37500000000000 0.30884520146759 126.904 > 89 123 I 0.64544042059153 0.62500000000000 0.30884520146759 126.904 > 89 124 I 0.64544042059153 0.87500000000000 0.30884520146759 126.904 > 89 125 I 0.64544042059153 0.12500000000000 0.80884520146759 126.904 > 89 126 I 0.64544042059153 0.37500000000000 0.80884520146759 126.904 > 89 127 I 0.64544042059153 0.62500000000000 0.80884520146759 126.904 > 89 128 I 0.64544042059153 0.87500000000000 0.80884520146759 126.904 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4440341 0.0000000 0.0127273 0.0000000 14.1718944 0.0000000 0.0127542 0.0000000 9.1654499 -------------------------- Born effective charges -------------------------- 1 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 2 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 3 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 4 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 5 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 6 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 7 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 8 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:00:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:00:36]------------------------- 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): [1 4 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.258517738945100 -2.178960044999999 0.000000000000000 b 7.258517738945100 2.178960044999999 0.000000000000000 c -3.275522539787578 0.000000000000000 10.081496818983940 Atomic positions (fractional): 1 Bi 0.17503736196975 0.17503736196975 0.98431147530686 208.980 2 Bi 0.80368475897397 0.80368475897397 0.71872574450619 208.980 3 Bi 0.19631524102603 0.19631524102603 0.28127425549381 208.980 4 Bi 0.82496263803025 0.82496263803025 0.01568852469314 208.980 5 I 0.46271658765994 0.46271658765994 0.78496709449094 126.904 6 I 0.53728341234006 0.53728341234006 0.21503290550906 126.904 7 I 0.85455957940847 0.85455957940847 0.38230959706481 126.904 8 I 0.14544042059153 0.14544042059153 0.61769040293519 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.517035477890200 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431680359999994 0.000000000000000 c -6.551045079575156 0.000000000000000 20.162993637967880 Atomic positions (fractional): 1 Bi 0.17503736196975 0.00000000000000 0.49215573765343 208.980 > 1 2 Bi 0.17503736196975 0.25000000000000 0.49215573765343 208.980 > 1 3 Bi 0.17503736196975 0.50000000000000 0.49215573765343 208.980 > 1 4 Bi 0.17503736196975 0.75000000000000 0.49215573765343 208.980 > 1 5 Bi 0.17503736196975 0.00000000000000 0.99215573765343 208.980 > 1 6 Bi 0.17503736196975 0.25000000000000 0.99215573765343 208.980 > 1 7 Bi 0.17503736196975 0.50000000000000 0.99215573765343 208.980 > 1 8 Bi 0.17503736196975 0.75000000000000 0.99215573765343 208.980 > 1 9 Bi 0.30368475897397 0.12500000000000 0.35936287225309 208.980 > 9 10 Bi 0.30368475897397 0.37500000000000 0.35936287225309 208.980 > 9 11 Bi 0.30368475897397 0.62500000000000 0.35936287225309 208.980 > 9 12 Bi 0.30368475897397 0.87500000000000 0.35936287225309 208.980 > 9 13 Bi 0.30368475897397 0.12500000000000 0.85936287225309 208.980 > 9 14 Bi 0.30368475897397 0.37500000000000 0.85936287225309 208.980 > 9 15 Bi 0.30368475897397 0.62500000000000 0.85936287225309 208.980 > 9 16 Bi 0.30368475897397 0.87500000000000 0.85936287225309 208.980 > 9 17 Bi 0.19631524102603 0.00000000000000 0.14063712774691 208.980 > 17 18 Bi 0.19631524102603 0.25000000000000 0.14063712774691 208.980 > 17 19 Bi 0.19631524102603 0.50000000000000 0.14063712774691 208.980 > 17 20 Bi 0.19631524102603 0.75000000000000 0.14063712774691 208.980 > 17 21 Bi 0.19631524102603 0.00000000000000 0.64063712774691 208.980 > 17 22 Bi 0.19631524102603 0.25000000000000 0.64063712774691 208.980 > 17 23 Bi 0.19631524102603 0.50000000000000 0.64063712774691 208.980 > 17 24 Bi 0.19631524102603 0.75000000000000 0.64063712774691 208.980 > 17 25 Bi 0.32496263803025 0.12500000000000 0.00784426234657 208.980 > 25 26 Bi 0.32496263803025 0.37500000000000 0.00784426234657 208.980 > 25 27 Bi 0.32496263803025 0.62500000000000 0.00784426234657 208.980 > 25 28 Bi 0.32496263803025 0.87500000000000 0.00784426234657 208.980 > 25 29 Bi 0.32496263803025 0.12500000000000 0.50784426234657 208.980 > 25 30 Bi 0.32496263803025 0.37500000000000 0.50784426234657 208.980 > 25 31 Bi 0.32496263803025 0.62500000000000 0.50784426234657 208.980 > 25 32 Bi 0.32496263803025 0.87500000000000 0.50784426234657 208.980 > 25 33 Bi 0.67503736196975 0.12500000000000 0.49215573765343 208.980 > 1 34 Bi 0.67503736196975 0.37500000000000 0.49215573765343 208.980 > 1 35 Bi 0.67503736196975 0.62500000000000 0.49215573765343 208.980 > 1 36 Bi 0.67503736196975 0.87500000000000 0.49215573765343 208.980 > 1 37 Bi 0.67503736196975 0.12500000000000 0.99215573765343 208.980 > 1 38 Bi 0.67503736196975 0.37500000000000 0.99215573765343 208.980 > 1 39 Bi 0.67503736196975 0.62500000000000 0.99215573765343 208.980 > 1 40 Bi 0.67503736196975 0.87500000000000 0.99215573765343 208.980 > 1 41 Bi 0.80368475897397 0.00000000000000 0.35936287225309 208.980 > 9 42 Bi 0.80368475897397 0.25000000000000 0.35936287225309 208.980 > 9 43 Bi 0.80368475897397 0.50000000000000 0.35936287225309 208.980 > 9 44 Bi 0.80368475897397 0.75000000000000 0.35936287225309 208.980 > 9 45 Bi 0.80368475897397 0.00000000000000 0.85936287225309 208.980 > 9 46 Bi 0.80368475897397 0.25000000000000 0.85936287225309 208.980 > 9 47 Bi 0.80368475897397 0.50000000000000 0.85936287225309 208.980 > 9 48 Bi 0.80368475897397 0.75000000000000 0.85936287225309 208.980 > 9 49 Bi 0.69631524102603 0.12500000000000 0.14063712774691 208.980 > 17 50 Bi 0.69631524102603 0.37500000000000 0.14063712774691 208.980 > 17 51 Bi 0.69631524102603 0.62500000000000 0.14063712774691 208.980 > 17 52 Bi 0.69631524102603 0.87500000000000 0.14063712774691 208.980 > 17 53 Bi 0.69631524102603 0.12500000000000 0.64063712774691 208.980 > 17 54 Bi 0.69631524102603 0.37500000000000 0.64063712774691 208.980 > 17 55 Bi 0.69631524102603 0.62500000000000 0.64063712774691 208.980 > 17 56 Bi 0.69631524102603 0.87500000000000 0.64063712774691 208.980 > 17 57 Bi 0.82496263803025 0.00000000000000 0.00784426234657 208.980 > 25 58 Bi 0.82496263803025 0.25000000000000 0.00784426234657 208.980 > 25 59 Bi 0.82496263803025 0.50000000000000 0.00784426234657 208.980 > 25 60 Bi 0.82496263803025 0.75000000000000 0.00784426234657 208.980 > 25 61 Bi 0.82496263803025 0.00000000000000 0.50784426234657 208.980 > 25 62 Bi 0.82496263803025 0.25000000000000 0.50784426234657 208.980 > 25 63 Bi 0.82496263803025 0.50000000000000 0.50784426234657 208.980 > 25 64 Bi 0.82496263803025 0.75000000000000 0.50784426234657 208.980 > 25 65 I 0.46271658765994 0.00000000000000 0.39248354724547 126.904 > 65 66 I 0.46271658765994 0.25000000000000 0.39248354724547 126.904 > 65 67 I 0.46271658765994 0.50000000000000 0.39248354724547 126.904 > 65 68 I 0.46271658765994 0.75000000000000 0.39248354724547 126.904 > 65 69 I 0.46271658765994 0.00000000000000 0.89248354724547 126.904 > 65 70 I 0.46271658765994 0.25000000000000 0.89248354724547 126.904 > 65 71 I 0.46271658765994 0.50000000000000 0.89248354724547 126.904 > 65 72 I 0.46271658765994 0.75000000000000 0.89248354724547 126.904 > 65 73 I 0.03728341234006 0.12500000000000 0.10751645275453 126.904 > 73 74 I 0.03728341234006 0.37500000000000 0.10751645275453 126.904 > 73 75 I 0.03728341234006 0.62500000000000 0.10751645275453 126.904 > 73 76 I 0.03728341234006 0.87500000000000 0.10751645275453 126.904 > 73 77 I 0.03728341234006 0.12500000000000 0.60751645275453 126.904 > 73 78 I 0.03728341234006 0.37500000000000 0.60751645275453 126.904 > 73 79 I 0.03728341234006 0.62500000000000 0.60751645275453 126.904 > 73 80 I 0.03728341234006 0.87500000000000 0.60751645275453 126.904 > 73 81 I 0.35455957940847 0.12500000000000 0.19115479853241 126.904 > 81 82 I 0.35455957940847 0.37500000000000 0.19115479853241 126.904 > 81 83 I 0.35455957940847 0.62500000000000 0.19115479853241 126.904 > 81 84 I 0.35455957940847 0.87500000000000 0.19115479853241 126.904 > 81 85 I 0.35455957940847 0.12500000000000 0.69115479853241 126.904 > 81 86 I 0.35455957940847 0.37500000000000 0.69115479853241 126.904 > 81 87 I 0.35455957940847 0.62500000000000 0.69115479853241 126.904 > 81 88 I 0.35455957940847 0.87500000000000 0.69115479853241 126.904 > 81 89 I 0.14544042059153 0.00000000000000 0.30884520146759 126.904 > 89 90 I 0.14544042059153 0.25000000000000 0.30884520146759 126.904 > 89 91 I 0.14544042059153 0.50000000000000 0.30884520146759 126.904 > 89 92 I 0.14544042059153 0.75000000000000 0.30884520146759 126.904 > 89 93 I 0.14544042059153 0.00000000000000 0.80884520146759 126.904 > 89 94 I 0.14544042059153 0.25000000000000 0.80884520146759 126.904 > 89 95 I 0.14544042059153 0.50000000000000 0.80884520146759 126.904 > 89 96 I 0.14544042059153 0.75000000000000 0.80884520146759 126.904 > 89 97 I 0.96271658765994 0.12500000000000 0.39248354724547 126.904 > 65 98 I 0.96271658765994 0.37500000000000 0.39248354724547 126.904 > 65 99 I 0.96271658765994 0.62500000000000 0.39248354724547 126.904 > 65 100 I 0.96271658765994 0.87500000000000 0.39248354724547 126.904 > 65 101 I 0.96271658765994 0.12500000000000 0.89248354724547 126.904 > 65 102 I 0.96271658765994 0.37500000000000 0.89248354724547 126.904 > 65 103 I 0.96271658765994 0.62500000000000 0.89248354724547 126.904 > 65 104 I 0.96271658765994 0.87500000000000 0.89248354724547 126.904 > 65 105 I 0.53728341234006 0.00000000000000 0.10751645275453 126.904 > 73 106 I 0.53728341234006 0.25000000000000 0.10751645275453 126.904 > 73 107 I 0.53728341234006 0.50000000000000 0.10751645275453 126.904 > 73 108 I 0.53728341234006 0.75000000000000 0.10751645275453 126.904 > 73 109 I 0.53728341234006 0.00000000000000 0.60751645275453 126.904 > 73 110 I 0.53728341234006 0.25000000000000 0.60751645275453 126.904 > 73 111 I 0.53728341234006 0.50000000000000 0.60751645275453 126.904 > 73 112 I 0.53728341234006 0.75000000000000 0.60751645275453 126.904 > 73 113 I 0.85455957940847 0.00000000000000 0.19115479853241 126.904 > 81 114 I 0.85455957940847 0.25000000000000 0.19115479853241 126.904 > 81 115 I 0.85455957940847 0.50000000000000 0.19115479853241 126.904 > 81 116 I 0.85455957940847 0.75000000000000 0.19115479853241 126.904 > 81 117 I 0.85455957940847 0.00000000000000 0.69115479853241 126.904 > 81 118 I 0.85455957940847 0.25000000000000 0.69115479853241 126.904 > 81 119 I 0.85455957940847 0.50000000000000 0.69115479853241 126.904 > 81 120 I 0.85455957940847 0.75000000000000 0.69115479853241 126.904 > 81 121 I 0.64544042059153 0.12500000000000 0.30884520146759 126.904 > 89 122 I 0.64544042059153 0.37500000000000 0.30884520146759 126.904 > 89 123 I 0.64544042059153 0.62500000000000 0.30884520146759 126.904 > 89 124 I 0.64544042059153 0.87500000000000 0.30884520146759 126.904 > 89 125 I 0.64544042059153 0.12500000000000 0.80884520146759 126.904 > 89 126 I 0.64544042059153 0.37500000000000 0.80884520146759 126.904 > 89 127 I 0.64544042059153 0.62500000000000 0.80884520146759 126.904 > 89 128 I 0.64544042059153 0.87500000000000 0.80884520146759 126.904 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.4440341 0.0000000 0.0127273 0.0000000 14.1718944 0.0000000 0.0127542 0.0000000 9.1654499 -------------------------- Born effective charges -------------------------- 1 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 2 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 3 Bi 2.3932313 0.0000000 0.0420109 0.0000000 5.6832041 0.0000000 0.4794456 0.0000000 1.6509090 4 Bi 0.5006233 0.0000000 0.2447707 0.0000000 0.3194247 0.0000000 -0.1577425 0.0000000 0.2991332 5 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 6 I -1.5984379 0.0000000 -0.1604657 0.0000000 -3.0491138 0.0000000 -0.2061531 0.0000000 -0.2326805 7 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 8 I -1.2954167 0.0000000 -0.1263160 0.0000000 -2.9535150 0.0000000 -0.1155499 0.0000000 -1.7173617 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 5 ] 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: 0.61, Number of G-points: 305, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/199) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.542 ( 0.000 0.000 0.000) 0.000 0.657 ( 0.000 0.000 0.000) 0.000 0.739 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/199) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.154 ( 1.734 -8.224 2.138) 8.672 0.229 ( 0.693 -12.125 -0.106) 12.146 0.480 ( 3.925 -19.030 0.724) 19.444 0.562 ( -0.822 -5.507 -0.717) 5.614 0.755 ( 0.928 -1.566 -0.138) 1.826 0.806 ( 0.296 -12.787 -0.259) 12.793 1.043 ( -4.304 0.281 -0.078) 4.314 1.097 ( 2.377 -0.850 0.189) 2.531 1.201 ( 0.780 -4.533 -0.005) 4.600 1.438 ( 0.336 -0.124 0.024) 0.359 1.522 ( -0.386 1.787 0.013) 1.828 1.628 ( 0.030 0.842 -0.527) 0.994 2.365 ( 0.459 -14.779 0.049) 14.786 2.687 ( -1.239 0.370 -0.483) 1.380 2.736 ( -0.019 0.571 0.073) 0.576 3.032 ( -2.813 3.380 -0.282) 4.406 3.072 ( -0.224 1.085 0.243) 1.134 3.245 ( -19.836 -9.559 -3.919) 22.365 3.287 ( 0.173 -0.329 -2.208) 2.239 3.332 ( -3.124 -0.402 -0.421) 3.177 3.447 ( 0.337 -0.744 0.183) 0.837 3.694 ( 8.013 9.271 3.580) 12.766 3.829 ( 0.203 5.734 -0.054) 5.738 3.895 ( 1.172 3.662 -0.164) 3.849 ======================= Grid point 2 (3/199) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 1.018 -8.706 1.472) 8.888 0.470 ( -1.046 -13.133 -0.741) 13.196 0.607 ( -1.224 -5.630 0.076) 5.762 0.801 ( 1.184 -2.656 -0.043) 2.908 0.890 ( 1.079 -14.786 -0.208) 14.827 1.012 ( -3.860 -2.834 -0.049) 4.789 1.077 ( -0.029 -11.892 0.109) 11.892 1.114 ( 4.088 0.862 -0.127) 4.180 1.323 ( -0.394 -6.787 0.389) 6.810 1.442 ( 0.167 -0.159 0.218) 0.318 1.483 ( -0.186 1.353 -0.790) 1.578 1.608 ( -0.132 1.051 -0.261) 1.091 2.607 ( 0.226 -4.530 -0.492) 4.563 2.658 ( -0.580 2.417 0.497) 2.535 2.775 ( 0.671 -7.028 0.091) 7.061 2.951 ( -0.869 3.685 0.067) 3.786 3.067 ( -0.752 -2.103 0.337) 2.259 3.248 ( -0.261 3.721 -0.850) 3.826 3.294 ( -1.612 -1.488 0.415) 2.233 3.335 ( -7.519 -2.397 -2.762) 8.361 3.478 ( 0.910 -1.704 0.919) 2.139 3.527 ( 2.294 10.351 1.213) 10.671 3.688 ( -0.157 8.223 -0.170) 8.226 3.815 ( 0.869 4.785 -0.431) 4.883 ======================= Grid point 3 (4/199) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.263 -8.203 0.773) 8.243 0.702 ( -2.963 -11.845 -1.375) 12.287 0.719 ( -3.316 -6.601 0.645) 7.415 0.862 ( 0.843 -2.410 0.443) 2.591 0.988 ( -1.479 -1.773 0.212) 2.318 1.088 ( 2.233 -0.469 -0.632) 2.368 1.175 ( -1.542 -6.808 0.412) 6.993 1.277 ( -0.016 -7.594 -0.964) 7.655 1.388 ( 0.394 -0.107 -0.170) 0.442 1.463 ( -0.472 -1.561 0.330) 1.664 1.499 ( 0.470 -3.494 -0.860) 3.629 1.589 ( -0.230 0.842 0.891) 1.248 2.587 ( -0.552 4.633 0.536) 4.696 2.598 ( 0.829 3.015 -0.520) 3.170 2.876 ( 1.150 -1.408 0.374) 1.856 2.888 ( 0.011 2.621 -0.252) 2.633 3.113 ( -0.730 6.035 0.232) 6.083 3.182 ( 0.929 -2.929 -0.081) 3.073 3.217 ( 0.407 10.506 0.152) 10.515 3.322 ( -0.183 -1.775 0.166) 1.792 3.406 ( -2.547 1.321 -0.288) 2.884 3.533 ( -0.838 -0.571 -0.363) 1.077 3.559 ( -0.806 1.769 0.435) 1.992 3.739 ( -1.376 2.428 -0.787) 2.899 ======================= Grid point 4 (5/199) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.315 -7.233 0.124) 7.241 0.793 ( -3.976 -3.561 -0.181) 5.340 0.864 ( -2.071 -2.976 0.204) 3.631 0.892 ( -4.313 -5.123 0.306) 6.704 1.023 ( 2.588 -0.617 0.225) 2.670 1.127 ( 1.731 -3.199 -0.492) 3.670 1.225 ( -2.341 0.088 0.365) 2.371 1.355 ( -2.130 -2.938 -0.945) 3.750 1.419 ( -0.490 -3.096 -2.595) 4.070 1.482 ( -0.811 -0.716 0.859) 1.381 1.564 ( 1.313 -1.843 0.347) 2.289 1.579 ( 0.463 0.375 1.689) 1.791 2.474 ( -0.046 7.228 0.572) 7.250 2.517 ( 1.314 6.289 -0.564) 6.450 2.835 ( 0.111 3.099 -0.369) 3.123 2.878 ( 1.596 2.612 0.612) 3.122 2.983 ( 0.040 4.834 0.204) 4.838 2.998 ( 0.732 7.660 -0.053) 7.695 3.258 ( -0.213 -1.818 0.068) 1.832 3.343 ( -0.877 1.111 -0.365) 1.462 3.386 ( 0.627 -1.175 0.785) 1.546 3.498 ( -0.764 0.682 -0.341) 1.079 3.603 ( -1.745 -3.000 -0.239) 3.479 3.705 ( -2.823 0.085 -0.533) 2.874 ======================= Grid point 5 (6/199) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.886 -3.316 -0.534) 3.473 0.816 ( -1.572 -1.943 -0.416) 2.534 0.866 ( -2.377 -0.691 1.472) 2.880 0.970 ( -4.285 -3.864 0.110) 5.771 1.026 ( 2.570 1.550 -0.749) 3.093 1.148 ( -1.021 2.152 0.224) 2.393 1.256 ( 2.643 -4.486 -0.050) 5.206 1.392 ( -3.216 -2.143 -0.533) 3.902 1.462 ( -0.733 -1.998 -1.557) 2.637 1.484 ( -0.786 -0.022 -0.084) 0.791 1.562 ( 0.666 1.090 1.566) 2.021 1.599 ( 0.821 -0.289 0.706) 1.121 2.333 ( 0.015 6.422 0.136) 6.423 2.381 ( 1.127 7.371 -0.071) 7.457 2.782 ( 0.261 2.078 0.012) 2.094 2.816 ( 0.621 2.472 0.016) 2.548 2.933 ( 0.207 1.030 -0.257) 1.081 2.948 ( 0.263 0.686 0.376) 0.826 3.275 ( -0.385 -0.537 -0.231) 0.700 3.307 ( -0.036 1.515 0.124) 1.520 3.422 ( 0.809 -1.362 0.499) 1.661 3.489 ( -0.190 0.121 -0.086) 0.241 3.635 ( -1.491 -1.583 -0.898) 2.352 3.689 ( -2.141 0.241 0.162) 2.160 ======================= Grid point 6 (7/199) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.768 ( -0.000 -0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 0.863 ( -0.000 -0.000 -0.000) 0.000 0.998 ( 0.000 -0.000 0.000) 0.000 1.010 ( 0.000 -0.000 -0.000) 0.000 1.115 ( 0.000 -0.000 0.000) 0.000 1.345 ( 0.000 -0.000 -0.000) 0.000 1.374 ( -0.000 0.000 0.000) 0.000 1.475 ( 0.000 -0.000 -0.000) 0.000 1.485 ( 0.000 -0.000 -0.000) 0.000 1.557 ( 0.000 -0.000 0.000) 0.000 1.601 ( 0.000 -0.000 -0.000) 0.000 2.267 ( 0.000 -0.000 -0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 2.764 ( 0.000 -0.000 -0.000) 0.000 2.797 ( 0.000 -0.000 0.000) 0.000 2.930 ( 0.000 0.000 -0.000) 0.000 2.938 ( 0.000 -0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.291 ( -0.000 -0.000 0.000) 0.000 3.440 ( 0.000 -0.000 0.000) 0.000 3.487 ( 0.000 -0.000 -0.000) 0.000 3.647 ( 0.000 -0.000 0.000) 0.000 3.677 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 14 (8/199) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.094 ( 6.089 0.000 6.412) 8.842 0.167 ( 13.858 0.000 1.189) 13.909 0.192 ( 15.511 0.000 2.432) 15.700 0.528 ( -1.933 -0.000 -1.067) 2.208 0.661 ( 0.823 0.000 -0.542) 0.985 0.750 ( 1.886 0.000 -0.539) 1.961 1.037 ( -0.913 -0.000 0.041) 0.914 1.054 ( -5.911 -0.000 -2.279) 6.336 1.198 ( 4.689 0.000 -0.770) 4.752 1.441 ( 0.860 0.000 -0.023) 0.860 1.536 ( -1.037 -0.000 0.478) 1.142 1.638 ( -0.684 -0.000 1.096) 1.292 2.206 ( 0.686 0.000 0.566) 0.889 2.210 ( 1.504 0.000 -0.730) 1.671 2.735 ( 0.211 0.000 -0.180) 0.277 2.745 ( 0.042 0.000 0.354) 0.356 3.078 ( -0.803 -0.000 -0.077) 0.807 3.090 ( -0.035 -0.000 0.144) 0.148 3.283 ( 0.131 0.000 -0.791) 0.802 3.342 ( 0.240 0.000 0.408) 0.473 3.440 ( -0.028 -0.000 -0.006) 0.028 3.883 ( -0.473 -0.000 -1.347) 1.428 3.897 ( -1.094 -0.000 5.457) 5.566 3.950 ( 2.988 0.000 -0.283) 3.001 ======================= Grid point 15 (9/199) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( 3.712 -6.143 4.407) 8.423 0.263 ( 5.770 -7.274 0.509) 9.298 0.526 ( -0.682 -2.843 -0.475) 2.962 0.571 ( 6.397 -17.885 -0.108) 18.995 0.771 ( 1.890 -1.239 -0.355) 2.288 0.811 ( 0.888 -12.616 -0.666) 12.665 0.985 ( -5.488 0.475 0.092) 5.509 1.114 ( 0.339 -4.966 0.222) 4.982 1.219 ( 2.050 -1.319 0.111) 2.440 1.445 ( 0.867 0.023 -0.025) 0.868 1.514 ( -0.989 1.629 0.194) 1.916 1.625 ( 0.074 0.843 -1.458) 1.685 2.376 ( 1.258 -14.425 0.117) 14.481 2.643 ( -6.457 -6.468 -1.981) 9.352 2.736 ( -0.160 0.596 0.142) 0.634 2.897 ( -14.692 -16.355 -2.716) 22.152 3.066 ( -1.433 0.105 0.621) 1.565 3.078 ( -2.587 -1.600 -1.466) 3.377 3.284 ( 0.099 -0.100 -1.110) 1.119 3.328 ( 0.154 1.629 0.911) 1.873 3.448 ( -0.099 -0.938 0.062) 0.945 3.769 ( 3.010 10.206 1.919) 10.812 3.833 ( 0.410 6.084 0.750) 6.143 3.919 ( 3.086 4.304 -0.746) 5.348 ======================= Grid point 16 (10/199) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 2.162 -7.308 2.507) 8.023 0.458 ( -0.227 -10.918 -0.876) 10.955 0.586 ( -2.331 -5.194 -0.334) 5.703 0.816 ( 1.390 -2.606 -0.250) 2.964 0.901 ( 0.469 -9.986 -0.320) 10.002 0.975 ( -2.423 -5.636 0.542) 6.159 1.074 ( -0.153 -11.310 -0.517) 11.323 1.162 ( 4.061 0.337 0.120) 4.076 1.318 ( -0.779 -7.465 0.602) 7.530 1.446 ( 0.160 0.611 0.396) 0.746 1.477 ( -0.104 0.925 -1.300) 1.599 1.605 ( -0.248 0.937 -0.360) 1.034 2.608 ( 0.397 -4.135 -0.883) 4.247 2.651 ( -1.103 1.815 0.903) 2.308 2.786 ( 1.093 -7.903 0.093) 7.979 2.936 ( -1.696 1.935 -0.038) 2.573 3.057 ( -1.272 -1.809 0.473) 2.261 3.190 ( -8.519 -8.727 -2.257) 12.403 3.262 ( 0.091 3.024 -1.378) 3.324 3.303 ( -0.556 0.023 0.921) 1.076 3.478 ( -0.780 -2.341 0.151) 2.472 3.563 ( 2.681 12.996 1.258) 13.330 3.685 ( -0.141 8.748 0.000) 8.749 3.827 ( 1.610 6.114 -0.653) 6.356 ======================= Grid point 17 (11/199) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.928 -7.275 1.018) 7.404 0.656 ( -3.887 -10.300 -1.557) 11.119 0.677 ( -4.341 -6.258 0.768) 7.655 0.864 ( -0.921 -1.144 0.140) 1.475 0.981 ( 0.094 -4.311 0.430) 4.333 1.109 ( 1.567 -1.974 -0.330) 2.541 1.157 ( -1.480 -3.703 0.168) 3.991 1.275 ( 0.261 -6.274 -0.871) 6.339 1.391 ( 0.392 0.827 -0.750) 1.184 1.453 ( -1.272 -2.253 0.269) 2.601 1.505 ( 0.973 -3.970 -0.659) 4.140 1.590 ( -0.163 0.419 1.281) 1.357 2.584 ( -0.333 4.136 0.541) 4.185 2.606 ( 0.731 2.880 -0.499) 3.013 2.887 ( 0.161 2.031 0.082) 2.039 2.892 ( 1.333 -1.124 -0.136) 1.749 3.106 ( -0.665 4.418 0.217) 4.473 3.189 ( 0.247 -3.454 0.016) 3.463 3.223 ( 0.532 8.711 0.049) 8.727 3.320 ( -0.288 -1.767 0.262) 1.809 3.371 ( -3.028 1.626 -0.386) 3.458 3.522 ( -0.933 0.706 -0.102) 1.174 3.547 ( -1.390 1.393 0.130) 1.972 3.723 ( -0.890 4.255 -0.765) 4.414 ======================= Grid point 18 (12/199) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.138 -6.577 0.110) 6.579 0.743 ( -4.561 -4.383 0.106) 6.326 0.818 ( -5.106 -8.119 -1.195) 9.665 0.853 ( -3.146 0.097 1.429) 3.457 1.064 ( 3.891 -0.773 0.350) 3.982 1.141 ( 1.006 -2.543 -0.483) 2.777 1.196 ( -2.666 -1.719 0.362) 3.192 1.335 ( -0.852 -1.436 -0.530) 1.752 1.401 ( -0.889 -2.781 -2.610) 3.916 1.474 ( -0.958 -0.759 0.671) 1.395 1.575 ( 0.255 -1.332 0.604) 1.484 1.594 ( 0.867 -0.553 1.488) 1.809 2.478 ( 0.348 7.235 0.662) 7.273 2.528 ( 0.991 5.969 -0.675) 6.088 2.837 ( 0.443 3.182 -0.451) 3.244 2.899 ( 1.474 2.380 0.514) 2.847 2.983 ( -0.073 4.762 -0.007) 4.763 3.009 ( 1.108 8.739 0.223) 8.812 3.256 ( -0.286 -1.643 0.039) 1.668 3.331 ( -0.894 0.587 -0.231) 1.094 3.396 ( 0.615 -2.137 0.770) 2.353 3.486 ( -1.053 -0.229 -0.479) 1.179 3.579 ( -2.168 -2.438 -0.167) 3.267 3.669 ( -2.905 0.134 -0.638) 2.978 ======================= Grid point 19 (13/199) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.830 -3.125 -0.369) 3.254 0.788 ( -2.968 -3.473 -0.484) 4.594 0.850 ( -1.275 -1.448 1.112) 2.226 0.922 ( -3.926 -5.554 0.266) 6.807 1.057 ( 3.047 2.464 -0.588) 3.963 1.136 ( -1.263 1.744 0.432) 2.196 1.283 ( 2.101 -5.653 -0.074) 6.031 1.358 ( -2.268 -1.542 -0.450) 2.779 1.449 ( -0.631 -2.752 -1.157) 3.051 1.472 ( -1.252 0.293 -0.293) 1.319 1.575 ( 0.561 0.763 1.596) 1.856 1.607 ( 0.325 0.243 0.345) 0.533 2.334 ( 0.112 6.734 0.064) 6.736 2.391 ( 0.687 7.616 -0.060) 7.647 2.787 ( 0.581 1.934 -0.091) 2.022 2.824 ( 0.817 3.302 0.041) 3.402 2.935 ( 0.210 0.948 0.020) 0.971 2.950 ( 0.019 0.940 0.121) 0.948 3.270 ( -0.401 -0.496 -0.238) 0.681 3.308 ( 0.041 1.146 0.150) 1.156 3.433 ( 0.782 -0.981 0.460) 1.336 3.486 ( -0.229 -0.062 -0.036) 0.240 3.616 ( -1.317 -2.541 -0.667) 2.939 3.663 ( -2.308 -0.781 -0.059) 2.438 ======================= Grid point 20 (14/199) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.041 -0.956 0.164) 0.971 0.848 ( -0.431 -2.710 -0.515) 2.792 0.864 ( 0.098 0.247 0.444) 0.517 0.994 ( -0.556 -2.399 1.200) 2.739 1.026 ( 2.581 1.530 -1.154) 3.214 1.112 ( -0.676 -0.629 0.440) 1.023 1.317 ( -3.013 3.365 -0.860) 4.598 1.396 ( 2.031 -3.531 0.532) 4.108 1.471 ( -0.570 -0.938 0.276) 1.131 1.487 ( 0.538 -1.100 -0.803) 1.464 1.561 ( 0.369 1.442 0.732) 1.659 1.598 ( -0.248 0.360 -0.384) 0.582 2.266 ( -0.101 -0.171 -0.243) 0.314 2.302 ( -0.351 0.748 0.153) 0.840 2.768 ( 0.614 0.457 0.069) 0.768 2.797 ( 0.019 0.249 -0.148) 0.290 2.930 ( -0.021 0.348 0.077) 0.358 2.936 ( -0.267 -0.092 0.054) 0.288 3.279 ( -0.140 -0.732 -0.042) 0.746 3.293 ( 0.174 0.513 0.051) 0.544 3.437 ( -0.311 0.651 -0.140) 0.735 3.488 ( 0.096 -0.125 0.106) 0.190 3.649 ( 0.243 -0.887 0.502) 1.048 3.676 ( -0.034 -1.575 -0.443) 1.636 ======================= Grid point 21 (15/199) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.727 3.579 0.500) 3.686 0.829 ( 0.563 0.513 0.166) 0.779 0.891 ( 2.569 0.078 -1.002) 2.759 1.000 ( -0.769 -0.075 -0.407) 0.874 1.020 ( 2.449 2.348 1.001) 3.537 1.158 ( 0.838 -1.753 -0.283) 1.963 1.224 ( -2.877 2.455 0.183) 3.786 1.432 ( 3.295 1.708 0.111) 3.712 1.476 ( 0.451 1.458 2.045) 2.552 1.492 ( 0.736 0.335 -0.061) 0.811 1.549 ( -0.599 -0.973 -1.224) 1.674 1.583 ( -1.441 0.904 -1.001) 1.974 2.334 ( 0.310 -6.319 -0.197) 6.329 2.366 ( -1.394 -7.140 0.104) 7.276 2.782 ( 0.257 -1.870 0.025) 1.888 2.809 ( -0.564 -1.907 -0.095) 1.991 2.933 ( -0.148 -1.016 0.415) 1.107 2.942 ( -0.339 -0.599 -0.481) 0.840 3.280 ( 0.269 0.632 0.163) 0.706 3.308 ( 0.076 -1.929 -0.073) 1.932 3.412 ( -0.623 1.533 -0.384) 1.699 3.491 ( 0.133 -0.200 0.079) 0.253 3.654 ( 1.212 0.974 0.847) 1.770 3.709 ( 1.452 -1.202 -0.293) 1.907 ======================= Grid point 22 (16/199) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.361 7.588 -0.030) 7.597 0.832 ( 2.471 2.225 0.755) 3.410 0.873 ( 0.223 2.324 -1.219) 2.634 0.933 ( 2.459 7.297 0.238) 7.704 1.007 ( -0.117 -0.032 -0.201) 0.234 1.107 ( -1.844 3.123 0.441) 3.653 1.244 ( 1.123 -0.970 -0.209) 1.499 1.388 ( 2.832 4.311 0.723) 5.208 1.428 ( -0.401 3.613 1.711) 4.018 1.486 ( 0.281 1.049 -0.650) 1.266 1.547 ( -1.160 1.270 -0.197) 1.732 1.570 ( -0.329 -1.009 -1.145) 1.562 2.475 ( 0.426 -7.209 -0.403) 7.233 2.503 ( -1.194 -6.616 0.393) 6.734 2.836 ( 0.023 -3.097 0.180) 3.102 2.861 ( -0.975 -2.479 -0.373) 2.690 2.982 ( -0.051 -4.830 -0.202) 4.835 2.992 ( -0.403 -7.098 0.109) 7.111 3.260 ( 0.114 1.943 -0.050) 1.947 3.354 ( 0.796 -1.260 0.492) 1.570 3.375 ( -0.654 0.487 -0.725) 1.091 3.505 ( 0.370 -1.349 0.157) 1.407 3.620 ( 1.006 3.514 0.191) 3.660 3.734 ( 1.726 -0.450 0.300) 1.809 ======================= Grid point 23 (17/199) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.026 8.714 -0.259) 8.718 0.729 ( 0.970 12.140 0.508) 12.189 0.745 ( 1.410 7.277 -0.187) 7.415 0.849 ( -0.679 2.660 -0.294) 2.761 1.006 ( 1.404 0.577 -0.095) 1.521 1.067 ( -1.495 0.340 0.351) 1.572 1.186 ( 0.576 8.202 -0.192) 8.224 1.281 ( 0.060 8.633 0.453) 8.645 1.384 ( -0.212 0.343 -0.069) 0.409 1.463 ( -0.030 1.155 -0.136) 1.163 1.500 ( 0.018 3.146 0.406) 3.172 1.588 ( 0.094 -1.106 -0.323) 1.156 2.591 ( 0.436 -4.316 -0.905) 4.431 2.593 ( -0.518 -3.732 0.908) 3.876 2.865 ( -0.481 1.426 -0.151) 1.513 2.889 ( 0.033 -2.768 0.072) 2.769 3.119 ( 0.405 -7.949 -0.117) 7.960 3.173 ( -0.600 2.613 0.064) 2.682 3.213 ( -0.094 -9.636 -0.071) 9.637 3.322 ( 0.061 1.722 -0.057) 1.724 3.427 ( 0.921 -2.412 0.085) 2.583 3.542 ( 0.471 3.294 0.298) 3.341 3.563 ( 0.107 -3.900 -0.324) 3.915 3.755 ( 0.721 -1.406 0.342) 1.617 ======================= Grid point 24 (18/199) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -0.000 9.276 0.000) 9.276 0.479 ( -0.000 13.628 0.000) 13.628 0.614 ( -0.000 5.904 0.000) 5.904 0.794 ( -0.000 2.685 0.000) 2.685 0.884 ( -0.000 16.184 0.000) 16.184 1.054 ( -0.000 6.714 0.000) 6.714 1.063 ( -0.000 0.908 0.000) 0.908 1.086 ( -0.000 5.611 0.000) 5.611 1.325 ( -0.000 6.512 0.000) 6.512 1.441 ( -0.000 0.395 0.000) 0.395 1.486 ( 0.000 -1.444 -0.000) 1.444 1.610 ( 0.000 -1.084 -0.000) 1.084 2.606 ( -0.000 4.652 0.000) 4.652 2.661 ( 0.000 -2.494 -0.000) 2.494 2.771 ( -0.000 6.624 0.000) 6.624 2.956 ( 0.000 -4.163 -0.000) 4.163 3.071 ( -0.000 2.253 0.000) 2.253 3.249 ( 0.000 -4.625 -0.000) 4.625 3.297 ( -0.000 0.861 0.000) 0.861 3.432 ( 0.000 -5.802 -0.000) 5.802 3.432 ( -0.000 2.343 0.000) 2.343 3.513 ( 0.000 -4.099 -0.000) 4.099 3.689 ( 0.000 -7.988 -0.000) 7.988 3.811 ( 0.000 -4.142 -0.000) 4.142 ======================= Grid point 27 (19/199) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( 5.980 0.000 5.835) 8.356 0.323 ( 12.293 0.000 1.137) 12.346 0.370 ( 13.745 0.000 2.220) 13.923 0.497 ( -1.949 -0.000 -2.110) 2.872 0.673 ( 1.736 0.000 -0.789) 1.907 0.773 ( 2.152 0.000 -0.577) 2.228 0.976 ( -6.365 -0.000 -0.804) 6.416 1.022 ( -1.702 -0.000 0.094) 1.705 1.241 ( 3.102 0.000 -0.044) 3.103 1.453 ( 1.281 0.000 -0.317) 1.319 1.524 ( -1.573 -0.000 1.199) 1.978 1.633 ( -0.039 -0.000 -1.686) 1.686 2.220 ( 1.502 0.000 0.331) 1.538 2.230 ( 2.399 0.000 -0.611) 2.475 2.736 ( -0.093 -0.000 -0.029) 0.098 2.748 ( 0.384 0.000 0.281) 0.476 3.067 ( -1.123 -0.000 0.218) 1.144 3.086 ( -0.664 -0.000 -0.047) 0.666 3.282 ( 0.086 0.000 -0.621) 0.627 3.348 ( 0.404 0.000 0.687) 0.797 3.439 ( -0.045 -0.000 -0.010) 0.046 3.873 ( -0.338 -0.000 -1.065) 1.117 3.912 ( 0.445 0.000 4.049) 4.073 3.988 ( 4.081 0.000 -1.528) 4.358 ======================= Grid point 28 (20/199) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 4.340 -4.205 4.226) 7.374 0.356 ( 8.915 -1.163 1.148) 9.064 0.502 ( -1.240 -2.168 -1.942) 3.164 0.655 ( 6.519 -14.495 0.703) 15.909 0.791 ( 1.629 -1.142 -0.420) 2.033 0.822 ( 1.549 -11.840 -0.808) 11.968 0.925 ( -4.729 -0.433 0.333) 4.761 1.109 ( -1.136 -7.698 0.135) 7.782 1.245 ( 2.114 0.633 0.328) 2.231 1.456 ( 0.964 0.202 -0.426) 1.073 1.503 ( -1.097 1.467 0.858) 2.023 1.619 ( 0.093 0.816 -2.081) 2.238 2.394 ( 1.741 -13.746 0.123) 13.857 2.542 ( -7.607 -16.897 -2.128) 18.652 2.733 ( -0.393 0.362 0.098) 0.543 2.800 ( -3.159 -7.842 -0.513) 8.470 3.048 ( -1.485 0.683 0.168) 1.643 3.062 ( -0.985 1.591 -0.256) 1.888 3.282 ( 0.214 -0.015 -0.954) 0.978 3.335 ( 0.258 1.752 1.012) 2.040 3.446 ( -0.184 -0.812 0.034) 0.833 3.794 ( 1.331 8.082 -0.112) 8.192 3.845 ( 0.644 7.096 2.325) 7.495 3.955 ( 3.765 5.069 -1.283) 6.444 ======================= Grid point 29 (21/199) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 2.666 -6.041 2.355) 7.010 0.464 ( 1.692 -6.604 -0.735) 6.856 0.557 ( -2.074 -4.312 -0.359) 4.798 0.828 ( 0.645 -2.312 -0.485) 2.449 0.890 ( -1.920 -5.010 -0.070) 5.365 0.965 ( -0.068 -8.986 0.806) 9.022 1.071 ( 0.060 -10.197 -0.809) 10.229 1.207 ( 3.589 -0.487 0.199) 3.628 1.310 ( -0.993 -8.046 0.566) 8.127 1.449 ( 0.057 1.798 0.414) 1.846 1.472 ( 0.081 0.076 -1.308) 1.312 1.601 ( -0.224 0.697 -0.272) 0.781 2.609 ( 0.453 -3.453 -1.162) 3.672 2.640 ( -1.457 0.295 1.198) 1.909 2.799 ( 1.241 -8.698 0.020) 8.787 2.912 ( -2.261 -1.487 -0.343) 2.728 3.042 ( -1.438 -1.620 0.438) 2.210 3.095 ( -6.181 -9.336 -1.580) 11.308 3.264 ( 0.888 3.351 -1.508) 3.781 3.301 ( -0.672 0.526 1.399) 1.639 3.467 ( -0.969 -1.415 -0.042) 1.715 3.597 ( 2.617 13.068 0.753) 13.348 3.684 ( -0.197 9.353 0.389) 9.363 3.845 ( 1.900 7.449 -0.681) 7.718 ======================= Grid point 30 (22/199) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 1.300 -6.115 0.540) 6.275 0.608 ( -3.108 -8.067 -1.451) 8.766 0.629 ( -4.340 -5.642 1.148) 7.210 0.842 ( -2.719 0.006 0.015) 2.719 0.989 ( 1.006 -6.513 0.244) 6.595 1.108 ( -1.892 -5.068 0.699) 5.454 1.156 ( 1.683 -0.047 -0.676) 1.814 1.278 ( 0.773 -4.595 -0.470) 4.683 1.391 ( 0.299 2.100 -1.085) 2.382 1.438 ( -1.429 -3.089 0.326) 3.419 1.513 ( 0.618 -4.180 -0.418) 4.246 1.595 ( 0.127 -0.086 1.358) 1.367 2.584 ( -0.014 3.552 0.549) 3.594 2.610 ( 0.338 2.771 -0.508) 2.837 2.890 ( 0.396 1.940 -0.224) 1.993 2.906 ( 0.999 -1.404 -0.116) 1.727 3.100 ( -0.498 3.473 0.153) 3.511 3.188 ( -0.606 -3.857 0.002) 3.904 3.225 ( -0.305 1.718 -0.120) 1.749 3.317 ( -0.355 -1.830 0.360) 1.899 3.342 ( -1.534 6.666 -0.215) 6.844 3.510 ( -1.145 0.074 0.100) 1.152 3.532 ( -1.108 3.408 -0.181) 3.588 3.714 ( -0.258 5.943 -0.499) 5.969 ======================= Grid point 31 (23/199) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.126 -5.764 -0.224) 5.878 0.693 ( -3.584 -4.927 -0.375) 6.104 0.758 ( -4.274 -8.247 0.040) 9.289 0.822 ( -3.005 -0.284 0.775) 3.117 1.103 ( 1.915 -1.545 0.365) 2.487 1.151 ( 1.590 0.788 -0.397) 1.819 1.175 ( -1.088 -5.132 0.345) 5.257 1.330 ( -0.031 -0.416 0.126) 0.436 1.381 ( -0.955 -2.704 -2.113) 3.562 1.464 ( -1.101 -0.651 0.249) 1.303 1.577 ( -0.179 -1.444 0.693) 1.612 1.608 ( 0.665 -0.519 1.062) 1.356 2.485 ( 0.497 7.299 0.608) 7.341 2.534 ( 0.548 5.679 -0.641) 5.742 2.843 ( 0.876 3.377 -0.356) 3.507 2.911 ( 0.410 1.850 0.107) 1.898 2.982 ( -0.038 4.381 -0.158) 4.384 3.025 ( 1.398 10.272 0.468) 10.377 3.252 ( -0.309 -1.471 -0.015) 1.503 3.321 ( -0.749 -0.343 -0.085) 0.828 3.405 ( 0.572 -3.376 0.660) 3.487 3.472 ( -0.926 -0.733 -0.427) 1.256 3.552 ( -2.403 -2.330 -0.200) 3.353 3.638 ( -2.017 0.922 -0.518) 2.277 ======================= Grid point 32 (24/199) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.048 -3.968 -0.354) 4.120 0.751 ( -2.724 -3.810 -0.287) 4.693 0.843 ( -0.444 -2.671 0.343) 2.729 0.886 ( -2.624 -7.122 0.617) 7.615 1.087 ( 2.408 2.695 -0.746) 3.690 1.126 ( -0.771 1.774 0.889) 2.129 1.303 ( 1.534 -6.109 -0.286) 6.305 1.337 ( -1.323 -0.531 0.002) 1.425 1.440 ( -0.358 -3.422 -0.850) 3.545 1.454 ( -1.476 0.354 -0.313) 1.550 1.586 ( 0.395 0.301 1.314) 1.405 1.610 ( 0.052 0.687 0.002) 0.689 2.335 ( 0.070 7.149 0.016) 7.149 2.396 ( 0.325 7.811 -0.047) 7.818 2.794 ( 0.671 1.755 -0.149) 1.885 2.833 ( 0.623 3.845 0.041) 3.895 2.938 ( 0.159 0.946 0.306) 1.006 2.950 ( -0.111 1.191 -0.173) 1.209 3.265 ( -0.298 -0.512 -0.176) 0.618 3.309 ( 0.084 0.905 0.128) 0.918 3.443 ( 0.688 -0.270 0.327) 0.808 3.483 ( -0.353 -0.434 0.002) 0.560 3.601 ( -0.872 -3.682 -0.370) 3.802 3.638 ( -1.764 -1.572 -0.169) 2.369 ======================= Grid point 33 (25/199) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.043 -1.624 0.161) 1.633 0.841 ( -0.473 -5.108 -0.372) 5.143 0.867 ( 0.157 0.863 0.306) 0.929 0.995 ( -0.060 -2.691 0.815) 2.812 1.055 ( 3.020 0.735 -1.186) 3.327 1.102 ( -1.471 -1.017 0.943) 2.022 1.282 ( -2.237 4.162 -0.721) 4.780 1.415 ( 1.040 -3.956 0.306) 4.102 1.466 ( -0.422 -1.882 0.042) 1.929 1.490 ( 0.461 -1.646 -0.538) 1.792 1.570 ( 0.561 2.033 1.012) 2.339 1.592 ( -0.454 0.866 -0.698) 1.201 2.263 ( -0.108 -0.351 -0.251) 0.445 2.298 ( -0.339 1.391 0.162) 1.441 2.777 ( 0.876 0.593 0.162) 1.070 2.795 ( -0.244 0.609 -0.251) 0.702 2.930 ( -0.011 0.507 0.084) 0.514 2.933 ( -0.282 -0.061 0.056) 0.294 3.277 ( -0.105 -1.050 -0.032) 1.056 3.295 ( 0.138 0.679 0.041) 0.694 3.433 ( -0.280 1.058 -0.122) 1.101 3.490 ( 0.071 -0.190 0.090) 0.221 3.655 ( 0.288 -1.470 0.717) 1.661 3.673 ( -0.082 -2.767 -0.660) 2.846 ======================= Grid point 34 (26/199) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.286 3.744 0.206) 3.761 0.833 ( 0.145 -0.151 0.029) 0.211 0.911 ( 1.136 -0.538 -0.320) 1.297 0.989 ( -0.506 -0.345 0.017) 0.613 1.046 ( 1.208 2.913 0.220) 3.162 1.168 ( 1.282 1.193 -0.386) 1.793 1.194 ( -2.284 -1.513 0.337) 2.761 1.460 ( 1.395 0.373 -0.366) 1.490 1.486 ( 0.202 1.151 1.331) 1.771 1.502 ( 0.639 0.375 0.140) 0.754 1.543 ( 0.276 0.234 -0.199) 0.413 1.560 ( -1.605 1.233 -0.966) 2.242 2.339 ( 0.762 -6.284 -0.200) 6.334 2.351 ( -1.215 -7.050 0.155) 7.155 2.787 ( 0.470 -1.423 0.101) 1.502 2.802 ( -0.515 -1.831 -0.140) 1.907 2.933 ( -0.047 -0.863 0.329) 0.925 2.938 ( -0.155 -0.722 -0.344) 0.815 3.282 ( 0.095 0.715 0.058) 0.723 3.308 ( 0.039 -2.221 -0.022) 2.221 3.406 ( -0.234 1.609 -0.144) 1.632 3.492 ( 0.047 -0.228 0.030) 0.235 3.667 ( 0.471 0.730 0.362) 0.941 3.720 ( 0.505 -1.820 -0.156) 1.895 ======================= Grid point 35 (27/199) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 7.679 0.000) 7.679 0.851 ( -0.000 0.010 0.000) 0.010 0.868 ( -0.000 4.484 0.000) 4.484 0.947 ( -0.000 7.667 0.000) 7.667 1.009 ( 0.000 -0.581 -0.000) 0.581 1.096 ( -0.000 3.159 0.000) 3.159 1.250 ( 0.000 -1.212 -0.000) 1.212 1.416 ( -0.000 5.570 0.000) 5.570 1.422 ( -0.000 3.391 0.000) 3.391 1.485 ( -0.000 1.322 0.000) 1.322 1.540 ( -0.000 0.547 0.000) 0.547 1.565 ( 0.000 -1.268 -0.000) 1.268 2.478 ( 0.000 -7.154 -0.000) 7.154 2.496 ( 0.000 -6.806 -0.000) 6.806 2.837 ( 0.000 -3.091 -0.000) 3.091 2.854 ( 0.000 -2.391 -0.000) 2.391 2.981 ( 0.000 -4.781 -0.000) 4.781 2.990 ( 0.000 -6.962 -0.000) 6.962 3.260 ( -0.000 1.987 0.000) 1.987 3.364 ( 0.000 -3.476 -0.000) 3.476 3.366 ( -0.000 2.435 0.000) 2.435 3.508 ( 0.000 -1.572 -0.000) 1.572 3.626 ( -0.000 3.698 0.000) 3.698 3.744 ( 0.000 -0.653 -0.000) 0.653 ======================= Grid point 40 (28/199) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 5.213 0.000 4.446) 6.851 0.454 ( 9.550 0.000 1.006) 9.603 0.468 ( -0.770 -0.000 -2.059) 2.198 0.523 ( 10.826 0.000 1.427) 10.920 0.696 ( 2.847 0.000 -0.699) 2.932 0.790 ( 0.658 0.000 -0.201) 0.688 0.910 ( -4.230 -0.000 -0.464) 4.255 0.999 ( -2.279 -0.000 0.155) 2.284 1.269 ( 1.665 0.000 0.287) 1.690 1.463 ( 0.680 0.000 -1.036) 1.240 1.514 ( -0.977 -0.000 2.331) 2.528 1.625 ( 0.182 0.000 -2.866) 2.871 2.241 ( 1.879 0.000 0.140) 1.884 2.259 ( 2.848 0.000 -0.449) 2.883 2.732 ( -0.570 -0.000 0.195) 0.603 2.755 ( 0.631 0.000 0.014) 0.631 3.055 ( -1.242 -0.000 0.291) 1.276 3.074 ( -1.199 -0.000 -0.366) 1.254 3.281 ( 0.210 0.000 -0.488) 0.532 3.356 ( 0.426 0.000 0.742) 0.855 3.439 ( -0.047 -0.000 -0.011) 0.048 3.869 ( 0.203 0.000 -0.896) 0.919 3.933 ( 0.660 0.000 3.620) 3.680 4.030 ( 4.325 0.000 -1.990) 4.760 ======================= Grid point 41 (29/199) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 3.875 -2.743 3.206) 5.729 0.441 ( 3.610 0.419 -1.375) 3.886 0.510 ( 5.057 -0.533 0.342) 5.097 0.713 ( 3.023 -10.552 0.608) 10.993 0.799 ( -0.467 -1.645 -0.076) 1.711 0.838 ( 1.761 -9.316 -0.859) 9.520 0.891 ( -0.869 -2.627 0.406) 2.797 1.093 ( -1.698 -9.022 0.033) 9.181 1.267 ( 1.519 0.822 0.443) 1.783 1.460 ( 0.276 0.116 -1.049) 1.091 1.499 ( -0.363 1.633 1.787) 2.447 1.612 ( 0.093 0.713 -2.268) 2.379 2.415 ( 1.785 -12.827 0.095) 12.951 2.473 ( -3.629 -16.507 -1.141) 16.940 2.728 ( -0.473 -0.153 0.086) 0.505 2.781 ( -0.666 -3.363 -0.175) 3.433 3.033 ( -1.292 1.246 0.069) 1.796 3.048 ( -1.212 1.554 -0.283) 1.991 3.282 ( 0.334 0.011 -0.703) 0.778 3.341 ( 0.190 1.906 0.877) 2.107 3.444 ( -0.196 -0.611 0.004) 0.642 3.805 ( 0.981 6.656 -0.706) 6.765 3.863 ( 0.678 7.896 2.606) 8.343 3.993 ( 3.521 5.686 -1.348) 6.822 ======================= Grid point 42 (30/199) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 2.431 -5.318 1.204) 5.970 0.479 ( 0.838 -3.416 -1.142) 3.698 0.548 ( 1.145 -1.443 0.631) 1.948 0.822 ( -1.664 -1.029 -0.276) 1.976 0.871 ( -0.901 -5.586 0.089) 5.659 0.968 ( -0.074 -8.209 0.701) 8.240 1.070 ( 0.292 -9.054 -0.798) 9.094 1.244 ( 2.649 -2.274 0.165) 3.495 1.301 ( -0.809 -7.475 0.393) 7.529 1.450 ( 0.039 2.698 0.306) 2.716 1.469 ( 0.082 -0.619 -0.942) 1.130 1.598 ( -0.069 0.327 -0.116) 0.354 2.609 ( 0.363 -2.607 -1.308) 2.939 2.628 ( -1.388 -1.702 1.343) 2.575 2.814 ( 1.217 -9.150 -0.044) 9.230 2.885 ( -2.156 -5.132 -0.539) 5.593 3.028 ( -1.425 -1.586 0.531) 2.198 3.037 ( -3.141 -5.991 -1.038) 6.844 3.269 ( 1.053 3.227 -1.531) 3.724 3.298 ( -0.908 0.937 1.538) 2.017 3.457 ( -0.763 -0.686 -0.109) 1.031 3.628 ( 2.409 12.679 0.183) 12.908 3.683 ( -0.431 9.997 0.748) 10.034 3.864 ( 1.652 8.543 -0.551) 8.719 ======================= Grid point 43 (31/199) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.793 -4.585 -0.803) 4.722 0.581 ( -0.846 -4.841 -0.975) 5.010 0.589 ( -3.315 -5.946 1.898) 7.068 0.806 ( -3.287 0.358 0.001) 3.306 1.002 ( 1.115 -7.483 -0.148) 7.567 1.086 ( -2.207 -4.284 0.865) 4.896 1.176 ( 1.720 -1.768 -0.604) 2.540 1.289 ( 1.246 -2.553 -0.079) 2.842 1.389 ( -0.079 2.996 -0.898) 3.129 1.425 ( -1.022 -3.656 0.294) 3.807 1.516 ( 0.159 -4.079 -0.199) 4.087 1.602 ( 0.294 -0.534 1.013) 1.182 2.587 ( 0.172 3.065 0.413) 3.097 2.610 ( -0.004 2.646 -0.387) 2.674 2.895 ( 0.618 1.325 -0.183) 1.474 2.913 ( 0.285 -1.045 -0.288) 1.121 3.096 ( -0.288 3.154 0.086) 3.168 3.175 ( -1.320 -6.324 -0.173) 6.463 3.219 ( -0.392 -3.436 0.004) 3.458 3.314 ( -0.449 -2.780 0.307) 2.832 3.334 ( 0.084 13.020 -0.013) 13.020 3.497 ( -1.008 -0.237 0.042) 1.037 3.522 ( -0.539 5.351 -0.167) 5.381 3.712 ( 0.023 7.027 -0.247) 7.031 ======================= Grid point 44 (32/199) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -2.963 -5.026 -0.642) 5.869 0.671 ( -0.383 -5.334 -0.352) 5.360 0.724 ( -1.979 -7.774 0.742) 8.056 0.793 ( -2.156 -1.221 0.227) 2.488 1.107 ( -0.523 -1.115 0.162) 1.242 1.168 ( 0.132 -5.361 -0.214) 5.367 1.181 ( 2.331 0.055 0.336) 2.356 1.334 ( 0.313 0.402 0.554) 0.753 1.364 ( -0.806 -3.066 -1.403) 3.467 1.452 ( -0.930 -0.317 -0.041) 0.984 1.577 ( -0.180 -1.730 0.456) 1.798 1.616 ( 0.330 -0.242 0.574) 0.705 2.492 ( 0.346 7.398 0.371) 7.415 2.536 ( 0.212 5.464 -0.399) 5.482 2.854 ( 1.029 3.700 -0.130) 3.843 2.909 ( -0.576 1.523 -0.173) 1.638 2.982 ( 0.042 3.757 -0.141) 3.760 3.042 ( 1.073 11.521 0.388) 11.577 3.249 ( -0.217 -1.362 -0.037) 1.380 3.314 ( -0.413 -1.306 0.014) 1.370 3.413 ( 0.383 -4.920 0.406) 4.952 3.463 ( -0.352 -0.252 -0.187) 0.472 3.525 ( -1.909 -2.542 -0.269) 3.190 3.620 ( -0.891 1.818 -0.246) 2.040 ======================= Grid point 45 (33/199) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -1.206 -6.769 -0.312) 6.883 0.735 ( -0.411 -1.980 0.063) 2.023 0.842 ( 0.039 -3.453 -0.088) 3.454 0.867 ( -1.032 -8.019 0.427) 8.097 1.101 ( 0.434 1.231 -0.438) 1.377 1.128 ( 0.294 3.370 0.563) 3.429 1.316 ( 0.912 -6.126 -0.563) 6.219 1.326 ( -0.739 0.268 0.503) 0.934 1.435 ( -0.034 -3.818 -0.536) 3.855 1.440 ( -0.803 0.174 0.046) 0.823 1.593 ( 0.156 -0.129 0.577) 0.612 1.609 ( -0.022 1.078 -0.111) 1.084 2.336 ( 0.017 7.445 0.001) 7.445 2.399 ( 0.092 7.912 -0.018) 7.912 2.800 ( 0.349 1.724 -0.069) 1.760 2.837 ( 0.160 3.916 0.008) 3.919 2.941 ( 0.082 1.191 0.293) 1.229 2.947 ( -0.070 1.203 -0.233) 1.228 3.262 ( -0.109 -0.540 -0.065) 0.555 3.310 ( 0.043 0.800 0.051) 0.803 3.451 ( 0.403 0.709 0.141) 0.828 3.479 ( -0.310 -1.132 -0.015) 1.174 3.593 ( -0.305 -4.565 -0.114) 4.576 3.624 ( -0.645 -1.913 -0.086) 2.020 ======================= Grid point 46 (34/199) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 -1.856 -0.000) 1.856 0.837 ( 0.000 -5.989 -0.000) 5.989 0.869 ( -0.000 1.085 0.000) 1.085 0.997 ( 0.000 -2.781 -0.000) 2.781 1.080 ( -0.000 0.996 0.000) 0.996 1.086 ( 0.000 -1.905 -0.000) 1.905 1.267 ( -0.000 4.617 0.000) 4.617 1.422 ( 0.000 -4.013 -0.000) 4.013 1.463 ( 0.000 -2.253 -0.000) 2.253 1.492 ( 0.000 -1.861 -0.000) 1.861 1.578 ( -0.000 1.972 0.000) 1.972 1.586 ( -0.000 1.259 0.000) 1.259 2.262 ( 0.000 -0.435 -0.000) 0.435 2.296 ( -0.000 1.659 0.000) 1.659 2.785 ( -0.000 0.102 0.000) 0.102 2.791 ( -0.000 1.275 0.000) 1.275 2.930 ( -0.000 0.436 0.000) 0.436 2.931 ( -0.000 0.082 0.000) 0.082 3.276 ( 0.000 -1.136 -0.000) 1.136 3.296 ( -0.000 0.713 0.000) 0.713 3.431 ( -0.000 1.188 0.000) 1.188 3.490 ( 0.000 -0.211 -0.000) 0.211 3.659 ( 0.000 -1.500 -0.000) 1.500 3.670 ( 0.000 -3.377 -0.000) 3.377 ======================= Grid point 53 (35/199) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 3.648 0.000 2.460) 4.400 0.456 ( 0.077 0.000 -1.807) 1.809 0.546 ( 5.823 0.000 0.743) 5.870 0.635 ( 7.395 0.000 1.298) 7.508 0.733 ( 3.952 0.000 -0.440) 3.977 0.777 ( -2.784 -0.000 0.343) 2.806 0.888 ( 0.678 0.000 -0.469) 0.824 0.972 ( -2.566 -0.000 0.199) 2.574 1.283 ( 0.609 0.000 0.367) 0.711 1.460 ( -0.352 -0.000 -0.999) 1.059 1.520 ( 0.193 0.000 2.592) 2.599 1.616 ( 0.181 0.000 -3.071) 3.076 2.262 ( 1.707 0.000 0.049) 1.708 2.290 ( 2.646 0.000 -0.296) 2.663 2.725 ( -0.814 -0.000 0.216) 0.842 2.762 ( 0.564 0.000 -0.110) 0.575 3.042 ( -1.087 -0.000 0.201) 1.106 3.058 ( -1.302 -0.000 -0.515) 1.400 3.283 ( 0.288 0.000 -0.302) 0.417 3.363 ( 0.328 0.000 0.589) 0.674 3.438 ( -0.033 -0.000 -0.010) 0.035 3.870 ( 0.425 0.000 -0.569) 0.710 3.952 ( 0.537 0.000 2.674) 2.728 4.069 ( 3.608 0.000 -1.664) 3.973 ======================= Grid point 54 (36/199) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 2.519 -2.141 1.723) 3.728 0.450 ( 0.540 -0.268 -1.696) 1.800 0.593 ( 6.985 1.472 0.847) 7.188 0.730 ( -0.417 -7.277 0.472) 7.304 0.783 ( -1.797 -2.682 0.328) 3.245 0.859 ( 2.342 -5.708 -0.632) 6.202 0.900 ( 1.116 -4.865 0.221) 4.996 1.074 ( -1.461 -9.818 -0.030) 9.926 1.282 ( 0.834 0.309 0.381) 0.967 1.456 ( -0.231 -0.124 -0.779) 0.822 1.505 ( 0.213 2.054 1.595) 2.609 1.605 ( 0.067 0.499 -1.864) 1.931 2.434 ( 1.298 -11.908 0.190) 11.980 2.443 ( -1.226 -14.351 -0.661) 14.419 2.724 ( -0.381 -0.788 0.107) 0.882 2.776 ( -0.201 -1.693 -0.161) 1.712 3.020 ( -0.911 1.442 -0.013) 1.706 3.034 ( -1.035 1.393 -0.284) 1.759 3.283 ( 0.306 0.023 -0.414) 0.515 3.345 ( 0.096 2.078 0.584) 2.160 3.442 ( -0.144 -0.423 -0.014) 0.447 3.812 ( 0.697 6.024 -0.523) 6.087 3.878 ( 0.491 8.191 1.838) 8.409 4.024 ( 2.496 6.166 -0.970) 6.723 ======================= Grid point 55 (37/199) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 1.861 -4.676 -0.534) 5.061 0.475 ( -0.829 -3.113 0.251) 3.232 0.580 ( 3.018 2.399 0.374) 3.874 0.794 ( -2.634 -0.362 0.143) 2.663 0.868 ( 0.075 -6.477 -0.062) 6.478 0.969 ( -0.130 -6.942 0.461) 6.959 1.071 ( 0.184 -8.353 -0.500) 8.370 1.267 ( 1.189 -6.828 0.046) 6.931 1.296 ( -0.203 -3.727 0.228) 3.739 1.451 ( 0.001 2.997 0.151) 3.001 1.467 ( 0.054 -0.833 -0.457) 0.952 1.598 ( 0.028 -0.027 -0.021) 0.044 2.607 ( 0.109 -2.081 -0.926) 2.280 2.620 ( -0.753 -3.061 0.944) 3.291 2.827 ( 1.130 -9.306 -0.017) 9.375 2.861 ( -1.605 -7.089 -0.411) 7.280 3.007 ( -1.525 -2.826 -0.079) 3.212 3.019 ( -0.631 -2.241 -0.110) 2.330 3.276 ( 1.086 3.404 -1.459) 3.860 3.292 ( -1.032 1.010 1.490) 2.075 3.449 ( -0.402 -0.273 -0.083) 0.493 3.652 ( 1.962 12.145 -0.373) 12.308 3.679 ( -0.841 10.654 0.910) 10.725 3.878 ( 0.955 9.265 -0.305) 9.319 ======================= Grid point 56 (38/199) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 1.202 -2.931 -1.352) 3.444 0.558 ( -2.313 -3.180 1.082) 4.078 0.584 ( 0.310 -6.077 0.299) 6.092 0.775 ( -1.660 0.289 -0.009) 1.685 1.012 ( 0.622 -8.012 -0.205) 8.039 1.069 ( -1.007 -3.488 0.474) 3.661 1.188 ( 0.604 -3.401 -0.242) 3.462 1.302 ( 0.726 -1.127 0.036) 1.341 1.384 ( -0.200 2.901 -0.316) 2.925 1.418 ( -0.352 -3.425 0.086) 3.444 1.516 ( 0.006 -3.947 -0.046) 3.948 1.608 ( 0.144 -0.765 0.370) 0.862 2.590 ( 0.111 2.807 0.150) 2.813 2.608 ( -0.064 2.532 -0.141) 2.537 2.902 ( 0.542 0.633 -0.003) 0.833 2.912 ( -0.255 -0.458 -0.226) 0.571 3.094 ( -0.085 3.252 0.028) 3.253 3.162 ( -0.669 -8.592 -0.102) 8.619 3.217 ( -0.081 -4.615 0.047) 4.616 3.310 ( -0.194 -2.919 0.106) 2.927 3.337 ( 0.192 15.088 0.025) 15.089 3.489 ( -0.376 0.348 -0.008) 0.512 3.518 ( -0.164 5.915 -0.051) 5.917 3.712 ( 0.037 7.541 -0.071) 7.542 ======================= Grid point 57 (39/199) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 -4.767 -0.000) 4.767 0.669 ( 0.000 -5.570 -0.000) 5.570 0.715 ( 0.000 -7.309 -0.000) 7.309 0.780 ( 0.000 -1.736 -0.000) 1.736 1.104 ( 0.000 -0.847 -0.000) 0.847 1.168 ( 0.000 -6.648 -0.000) 6.648 1.197 ( -0.000 0.876 0.000) 0.876 1.338 ( -0.000 1.440 0.000) 1.440 1.355 ( 0.000 -4.000 -0.000) 4.000 1.446 ( 0.000 -0.116 -0.000) 0.116 1.577 ( 0.000 -1.853 -0.000) 1.853 1.619 ( 0.000 -0.120 -0.000) 0.120 2.495 ( -0.000 7.447 0.000) 7.447 2.537 ( -0.000 5.382 0.000) 5.382 2.861 ( -0.000 4.032 0.000) 4.032 2.904 ( -0.000 1.261 0.000) 1.261 2.982 ( -0.000 3.482 0.000) 3.482 3.049 ( -0.000 11.971 0.000) 11.971 3.247 ( 0.000 -1.330 -0.000) 1.330 3.312 ( 0.000 -1.722 -0.000) 1.722 3.416 ( 0.000 -5.816 -0.000) 5.816 3.462 ( -0.000 0.383 0.000) 0.383 3.512 ( 0.000 -2.708 -0.000) 2.708 3.614 ( -0.000 2.152 0.000) 2.152 ======================= Grid point 67 (40/199) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 1.790 0.000 0.941) 2.022 0.455 ( 0.551 0.000 -0.951) 1.099 0.594 ( 2.451 0.000 0.382) 2.481 0.697 ( 2.261 0.000 0.543) 2.325 0.749 ( -1.268 -0.000 0.505) 1.365 0.777 ( 3.505 0.000 -0.207) 3.512 0.905 ( 1.713 0.000 -0.202) 1.724 0.944 ( -2.206 -0.000 0.173) 2.213 1.287 ( 0.057 0.000 0.247) 0.253 1.452 ( -0.380 -0.000 -0.460) 0.597 1.533 ( 0.381 0.000 1.813) 1.852 1.607 ( 0.064 0.000 -2.214) 2.215 2.279 ( 1.016 0.000 0.016) 1.016 2.314 ( 1.645 0.000 -0.147) 1.651 2.717 ( -0.623 -0.000 0.126) 0.636 2.766 ( 0.316 0.000 -0.098) 0.331 3.032 ( -0.624 -0.000 0.081) 0.629 3.043 ( -0.856 -0.000 -0.362) 0.929 3.285 ( 0.203 0.000 -0.133) 0.243 3.367 ( 0.173 0.000 0.315) 0.360 3.438 ( -0.016 -0.000 -0.005) 0.016 3.873 ( 0.316 0.000 -0.255) 0.406 3.965 ( 0.284 0.000 1.390) 1.419 4.098 ( 2.044 0.000 -0.905) 2.235 ======================= Grid point 68 (41/199) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.868 -2.038 0.478) 2.266 0.450 ( 0.240 0.121 -0.550) 0.612 0.660 ( 4.133 1.901 0.150) 4.552 0.714 ( -2.085 -6.102 0.234) 6.452 0.770 ( -0.636 -3.268 0.230) 3.337 0.884 ( 2.012 -2.840 -0.278) 3.492 0.904 ( -0.489 -6.362 0.147) 6.382 1.062 ( -0.535 -10.241 -0.024) 10.255 1.289 ( 0.253 -0.169 0.151) 0.340 1.452 ( -0.128 -0.263 -0.252) 0.386 1.512 ( 0.136 2.400 0.634) 2.486 1.601 ( 0.022 0.272 -0.751) 0.799 2.434 ( -0.303 -13.209 -0.066) 13.213 2.445 ( 0.533 -11.175 -0.069) 11.188 2.721 ( -0.147 -1.280 0.056) 1.290 2.774 ( -0.059 -1.004 -0.077) 1.008 3.013 ( -0.319 1.510 -0.016) 1.544 3.024 ( -0.419 1.274 -0.124) 1.347 3.285 ( 0.123 0.029 -0.135) 0.185 3.348 ( 0.026 2.190 0.204) 2.200 3.441 ( -0.052 -0.312 -0.008) 0.316 3.817 ( 0.257 5.794 -0.178) 5.803 3.887 ( 0.176 8.258 0.649) 8.286 4.041 ( 0.902 6.438 -0.347) 6.510 ======================= Grid point 69 (42/199) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.000 -2.410 -0.000) 2.410 0.469 ( 0.000 -5.017 -0.000) 5.017 0.601 ( -0.000 3.816 0.000) 3.816 0.776 ( 0.000 -0.288 -0.000) 0.288 0.869 ( 0.000 -6.791 -0.000) 6.791 0.969 ( 0.000 -6.380 -0.000) 6.380 1.071 ( 0.000 -8.170 -0.000) 8.170 1.273 ( 0.000 -10.500 -0.000) 10.500 1.296 ( 0.000 -0.334 -0.000) 0.334 1.452 ( -0.000 2.984 0.000) 2.984 1.467 ( 0.000 -0.800 -0.000) 0.800 1.598 ( 0.000 -0.171 -0.000) 0.171 2.606 ( 0.000 -2.126 -0.000) 2.126 2.618 ( 0.000 -3.291 -0.000) 3.291 2.837 ( 0.000 -9.854 -0.000) 9.854 2.847 ( 0.000 -7.079 -0.000) 7.079 2.998 ( 0.000 -2.116 -0.000) 2.116 3.015 ( 0.000 -2.176 -0.000) 2.176 3.282 ( -0.000 4.852 0.000) 4.852 3.287 ( 0.000 -0.336 -0.000) 0.336 3.447 ( 0.000 -0.143 -0.000) 0.143 3.669 ( -0.000 13.926 0.000) 13.926 3.670 ( -0.000 8.911 0.000) 8.911 3.883 ( -0.000 9.518 0.000) 9.518 ======================= Grid point 82 (43/199) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 0.000) 0.000 0.457 ( 0.000 0.000 0.000) 0.000 0.608 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 0.800 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 0.930 ( -0.000 -0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 -0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/199) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.108 ( 1.110 0.000 4.859) 4.984 0.135 ( 5.254 0.000 6.340) 8.235 0.329 ( -3.749 -0.000 13.719) 14.222 0.530 ( -1.015 -0.000 -1.031) 1.447 0.647 ( -0.520 -0.000 -0.967) 1.098 0.793 ( -2.352 -0.000 5.409) 5.898 1.040 ( 0.099 0.000 -0.148) 0.178 1.104 ( -1.071 -0.000 -0.315) 1.117 1.152 ( -0.257 -0.000 -0.217) 0.337 1.397 ( 1.100 0.000 -3.755) 3.912 1.491 ( 0.397 0.000 -4.317) 4.335 1.832 ( -5.173 -0.000 -0.679) 5.217 2.188 ( 0.261 0.000 -0.626) 0.678 2.212 ( -0.412 -0.000 0.398) 0.573 2.732 ( -0.064 -0.000 -0.093) 0.113 2.751 ( 0.181 0.000 0.508) 0.539 3.090 ( 0.257 0.000 0.284) 0.383 3.101 ( -1.210 -0.000 0.027) 1.210 3.257 ( -0.100 -0.000 -2.261) 2.264 3.368 ( -0.528 -0.000 1.909) 1.981 3.440 ( -0.022 -0.000 0.043) 0.048 3.727 ( 7.309 0.000 -2.645) 7.773 3.909 ( 1.700 0.000 1.378) 2.189 3.930 ( 0.022 0.000 0.420) 0.420 ======================= Grid point 152 (45/199) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.968 -9.001 3.057) 9.555 0.356 ( -2.065 -3.505 10.097) 10.886 0.488 ( 5.014 -14.474 -0.359) 15.322 0.561 ( -1.338 -9.132 1.018) 9.286 0.793 ( -0.372 -6.550 2.192) 6.917 0.806 ( -1.342 -7.671 2.424) 8.156 1.046 ( -4.054 -0.389 0.324) 4.086 1.100 ( 2.430 -0.544 -0.017) 2.490 1.198 ( 0.922 -4.626 -0.388) 4.733 1.398 ( 1.479 -0.153 -3.808) 4.088 1.456 ( 0.826 1.643 -4.561) 4.918 1.676 ( -2.207 2.963 3.256) 4.925 2.373 ( 0.333 -15.302 0.895) 15.332 2.644 ( -2.931 -6.720 -4.691) 8.703 2.742 ( -0.080 0.839 0.394) 0.931 2.884 ( -3.708 -14.404 -11.126) 18.574 3.075 ( -0.083 1.290 0.249) 1.317 3.114 ( -4.628 -5.261 -1.638) 7.196 3.255 ( -0.168 -0.171 -2.170) 2.183 3.354 ( 0.083 1.621 1.841) 2.454 3.447 ( 0.279 -0.768 -0.064) 0.820 3.689 ( 5.923 7.233 -2.888) 9.785 3.847 ( 1.082 7.375 1.443) 7.592 3.885 ( 0.640 4.182 -0.369) 4.246 ======================= Grid point 153 (46/199) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.127 -7.401 4.179) 8.500 0.485 ( -2.481 -10.226 2.889) 10.912 0.616 ( -0.250 -6.714 1.065) 6.803 0.826 ( -0.500 -2.082 2.918) 3.619 0.888 ( 0.395 -13.366 0.306) 13.375 1.019 ( -2.984 -5.543 0.780) 6.343 1.082 ( -1.309 -9.338 0.305) 9.434 1.115 ( 4.369 0.312 0.103) 4.382 1.325 ( 0.433 -6.965 -0.453) 6.993 1.406 ( 1.113 -0.428 -3.473) 3.672 1.428 ( 0.261 0.306 -3.400) 3.423 1.639 ( -0.990 1.031 2.197) 2.621 2.594 ( -0.115 -3.161 -0.567) 3.213 2.673 ( -0.265 1.788 0.727) 1.948 2.785 ( 0.352 -7.535 0.982) 7.607 2.936 ( -0.558 1.809 -1.612) 2.487 3.082 ( -0.795 -3.629 1.257) 3.922 3.220 ( -2.681 -1.708 -1.788) 3.647 3.255 ( -4.879 -3.918 -3.510) 7.174 3.320 ( 0.439 1.823 0.885) 2.073 3.480 ( 0.631 -2.549 -0.449) 2.664 3.530 ( 2.604 10.649 -1.169) 11.025 3.679 ( 0.396 9.587 -0.405) 9.603 3.790 ( 1.171 5.730 -1.421) 6.019 ======================= Grid point 154 (47/199) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -1.097 -6.546 3.756) 7.626 0.680 ( -3.635 -10.516 -0.656) 11.145 0.755 ( -2.515 -7.258 3.212) 8.326 0.876 ( -0.255 -2.856 1.186) 3.103 0.993 ( -1.106 -2.514 0.626) 2.817 1.083 ( 1.933 0.428 0.081) 1.982 1.188 ( -1.012 -7.565 0.717) 7.666 1.259 ( -0.759 -6.442 -0.920) 6.552 1.362 ( -0.157 1.305 -1.791) 2.222 1.450 ( 1.156 -2.010 -1.777) 2.921 1.478 ( 0.148 -5.858 -0.676) 5.899 1.625 ( -0.126 0.602 2.054) 2.144 2.577 ( 0.374 3.113 -0.758) 3.226 2.608 ( -0.009 4.528 0.755) 4.590 2.871 ( 0.998 0.019 -0.601) 1.165 2.894 ( -0.133 0.968 0.604) 1.148 3.122 ( -0.589 7.522 0.543) 7.565 3.206 ( 0.228 3.550 1.524) 3.870 3.214 ( 0.215 1.130 0.550) 1.275 3.319 ( 0.080 -1.718 -0.195) 1.731 3.399 ( -2.792 0.106 -0.634) 2.865 3.517 ( 0.007 3.860 -1.155) 4.029 3.557 ( -1.161 -2.376 -0.719) 2.741 3.695 ( 0.022 3.537 -2.991) 4.632 ======================= Grid point 155 (48/199) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -1.280 -5.534 1.981) 6.016 0.797 ( -4.346 -4.111 0.241) 5.987 0.864 ( -3.002 -4.419 1.443) 5.534 0.927 ( -3.311 -3.898 2.118) 5.536 1.026 ( 2.834 0.449 0.087) 2.870 1.129 ( 1.067 -4.960 0.794) 5.135 1.245 ( -1.753 1.345 1.115) 2.475 1.331 ( -2.281 -3.662 -1.115) 4.456 1.368 ( -1.146 -3.073 -2.095) 3.892 1.488 ( -0.152 -1.354 -0.195) 1.377 1.562 ( 1.380 -2.210 -0.514) 2.655 1.617 ( 0.569 0.760 1.683) 1.932 2.484 ( 0.408 7.160 0.263) 7.176 2.504 ( 0.852 6.497 -0.387) 6.564 2.831 ( -0.107 2.889 -0.031) 2.891 2.888 ( 1.529 2.520 0.317) 2.965 2.985 ( -0.059 5.482 -0.012) 5.483 3.001 ( 0.864 7.370 0.241) 7.424 3.269 ( -0.635 -1.104 0.919) 1.571 3.348 ( -0.890 0.647 0.981) 1.474 3.403 ( 0.520 -1.348 1.032) 1.775 3.483 ( -0.943 -0.676 -1.373) 1.798 3.589 ( -1.146 -0.918 -0.893) 1.718 3.664 ( -2.061 -1.229 -3.135) 3.948 ======================= Grid point 156 (49/199) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.726 -1.857 -0.028) 1.994 0.836 ( -3.496 -2.934 1.611) 4.841 0.884 ( -2.173 -0.531 0.779) 2.369 0.997 ( -2.361 -3.108 2.321) 4.542 1.020 ( 1.273 0.597 0.100) 1.410 1.178 ( -1.379 2.639 2.457) 3.860 1.259 ( 1.809 -5.496 0.553) 5.812 1.378 ( -2.623 -2.147 -0.741) 3.470 1.418 ( -0.485 -2.824 -2.337) 3.698 1.493 ( -0.888 0.421 0.480) 1.094 1.580 ( 0.946 0.310 0.082) 0.999 1.606 ( 0.614 1.208 0.119) 1.360 2.336 ( -0.023 7.035 0.163) 7.037 2.372 ( 1.177 6.963 -0.691) 7.096 2.786 ( 0.051 1.625 0.306) 1.655 2.815 ( 0.683 3.074 -0.040) 3.149 2.931 ( 0.465 0.909 -0.033) 1.021 2.954 ( 0.018 0.801 0.235) 0.835 3.280 ( -0.671 -0.505 0.645) 1.059 3.320 ( -0.226 1.369 0.998) 1.710 3.436 ( 0.534 -0.996 0.910) 1.451 3.488 ( -0.064 -0.169 -0.031) 0.183 3.600 ( -0.638 -1.359 -2.384) 2.818 3.668 ( -1.787 -0.447 -1.936) 2.672 ======================= Grid point 157 (50/199) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.348 -0.347 -0.262) 0.557 0.862 ( -1.052 -0.445 0.738) 1.360 0.882 ( 0.039 0.604 1.763) 1.864 0.995 ( 1.480 1.169 0.120) 1.890 1.048 ( -2.268 -1.293 2.800) 3.828 1.142 ( -0.035 0.337 2.382) 2.406 1.341 ( -2.956 1.514 -0.225) 3.329 1.369 ( 2.478 -1.705 -0.303) 3.023 1.468 ( 0.089 -1.663 -0.839) 1.865 1.480 ( -0.252 -0.588 -0.142) 0.655 1.562 ( 0.769 2.597 0.197) 2.716 1.589 ( -0.242 0.039 -0.959) 0.990 2.264 ( -0.310 -0.199 -0.283) 0.465 2.297 ( 0.437 0.251 -0.548) 0.745 2.768 ( -0.023 0.189 0.422) 0.463 2.795 ( -0.163 -0.255 -0.208) 0.367 2.931 ( 0.080 -0.456 0.108) 0.475 2.940 ( 0.025 0.603 0.178) 0.629 3.289 ( -0.378 -0.704 0.879) 1.188 3.301 ( -0.175 0.618 0.877) 1.087 3.442 ( -0.399 0.522 0.337) 0.738 3.490 ( 0.105 -0.046 0.315) 0.336 3.624 ( 1.445 -1.211 -2.097) 2.820 3.657 ( -0.083 0.456 -1.734) 1.795 ======================= Grid point 158 (51/199) ======================= q-point: (-0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 1.153 1.631 0.037) 1.997 0.845 ( 3.171 2.757 -0.074) 4.202 0.858 ( -0.221 1.548 3.308) 3.659 0.979 ( 2.437 2.305 0.754) 3.438 1.046 ( -1.953 0.360 0.921) 2.189 1.163 ( 0.494 -0.773 1.352) 1.634 1.266 ( -2.188 2.900 1.170) 3.817 1.394 ( 2.663 1.470 -0.409) 3.069 1.457 ( 2.000 1.316 -1.392) 2.769 1.510 ( 0.272 2.378 1.059) 2.617 1.532 ( -0.004 -2.348 -0.688) 2.447 1.582 ( -1.245 0.269 -0.685) 1.446 2.331 ( -0.239 -6.328 -0.024) 6.333 2.375 ( -0.703 -7.754 -0.548) 7.805 2.785 ( -0.396 -2.250 0.321) 2.307 2.815 ( -0.675 -2.234 -0.069) 2.335 2.938 ( -0.012 -0.376 -0.062) 0.381 2.943 ( -0.482 -1.143 0.173) 1.252 3.288 ( 0.061 0.708 0.924) 1.165 3.315 ( -0.253 -1.764 0.822) 1.962 3.417 ( -0.768 1.724 0.034) 1.888 3.492 ( 0.131 -0.044 0.192) 0.236 3.635 ( 2.056 1.558 -0.755) 2.688 3.659 ( 2.647 -0.624 -2.733) 3.855 ======================= Grid point 159 (52/199) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.323 6.360 2.877) 6.988 0.797 ( 4.980 4.771 0.002) 6.897 0.862 ( 0.141 -0.240 1.526) 1.551 0.911 ( 3.714 7.017 1.330) 8.050 1.013 ( -2.275 1.492 -0.738) 2.819 1.148 ( -1.933 1.745 1.495) 3.003 1.232 ( 1.555 1.525 0.768) 2.309 1.362 ( 2.940 2.972 -0.394) 4.199 1.441 ( 1.756 2.207 -1.691) 3.288 1.459 ( -0.529 2.493 -0.317) 2.568 1.551 ( -0.746 1.200 -0.632) 1.548 1.576 ( -0.731 -1.286 1.517) 2.119 2.465 ( 0.043 -6.788 -0.210) 6.792 2.523 ( -1.250 -6.882 0.063) 6.995 2.844 ( -0.614 -2.994 0.336) 3.075 2.868 ( -1.122 -2.706 -0.172) 2.934 2.978 ( -0.092 -5.505 -0.204) 5.509 3.002 ( -0.654 -6.900 0.269) 6.937 3.269 ( -0.126 1.695 1.182) 2.070 3.357 ( 0.716 -0.601 0.917) 1.309 3.373 ( -0.541 0.804 -0.349) 1.030 3.500 ( 0.692 -0.783 -0.079) 1.048 3.595 ( 2.042 3.687 -1.012) 4.334 3.681 ( 3.349 -0.476 -2.690) 4.322 ======================= Grid point 160 (53/199) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -1.280 7.473 4.689) 8.914 0.711 ( 3.427 6.633 -0.428) 7.479 0.733 ( 1.597 11.554 1.880) 11.815 0.868 ( -1.331 1.392 1.618) 2.515 0.980 ( 1.793 1.327 -0.554) 2.298 1.107 ( -2.565 1.847 1.275) 3.408 1.174 ( 0.984 5.783 0.275) 5.872 1.296 ( 0.453 7.609 0.866) 7.672 1.362 ( -0.151 2.335 -2.522) 3.441 1.437 ( 1.031 1.106 -2.073) 2.566 1.493 ( -0.135 3.939 -1.044) 4.077 1.611 ( -0.408 -1.934 2.375) 3.090 2.572 ( 0.458 -4.214 -0.715) 4.298 2.613 ( -0.721 -3.472 0.665) 3.608 2.865 ( -0.790 0.480 -0.534) 1.067 2.896 ( -0.224 -1.441 0.464) 1.530 3.117 ( 0.297 -5.563 0.620) 5.605 3.202 ( 0.176 -0.779 0.363) 0.877 3.211 ( -1.486 -7.537 1.074) 7.756 3.313 ( 0.421 1.375 -0.524) 1.531 3.413 ( 2.259 -0.290 0.404) 2.313 3.525 ( 1.009 3.279 -1.473) 3.734 3.546 ( 1.354 -3.974 -0.610) 4.243 3.718 ( 1.358 -2.882 -2.609) 4.118 ======================= Grid point 161 (54/199) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -1.562 8.011 5.610) 9.904 0.510 ( -0.848 11.569 3.851) 12.223 0.599 ( 1.016 5.697 -0.959) 5.866 0.827 ( -1.799 2.069 2.754) 3.886 0.896 ( -1.048 13.738 0.526) 13.788 1.015 ( 3.948 1.684 0.323) 4.304 1.081 ( -1.666 12.945 0.555) 13.064 1.122 ( -3.232 0.146 0.640) 3.298 1.309 ( 1.256 5.623 -1.258) 5.897 1.403 ( 1.203 1.162 -3.129) 3.548 1.451 ( 0.250 -0.065 -3.058) 3.069 1.647 ( -1.096 -1.902 2.397) 3.250 2.605 ( -0.372 3.425 -0.602) 3.498 2.661 ( 0.735 -1.533 0.711) 1.843 2.781 ( -0.699 6.764 0.757) 6.842 2.935 ( 1.474 -2.008 -1.510) 2.913 3.069 ( 1.026 2.681 0.561) 2.925 3.241 ( 0.692 -0.213 -1.351) 1.533 3.299 ( 0.679 -2.366 0.908) 2.623 3.356 ( 6.571 5.969 -1.781) 9.054 3.437 ( -2.620 -4.169 -1.899) 5.278 3.510 ( -0.141 -5.097 -0.444) 5.118 3.682 ( 0.032 -8.787 -0.576) 8.806 3.799 ( -0.961 -5.461 -1.537) 5.754 ======================= Grid point 162 (55/199) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -0.399 9.587 3.195) 10.113 0.346 ( -2.957 5.240 10.721) 12.294 0.469 ( -2.103 14.729 -0.253) 14.880 0.576 ( -1.543 8.623 0.583) 8.779 0.796 ( -1.807 5.142 2.608) 6.042 0.814 ( -1.592 8.868 2.197) 9.274 1.045 ( 4.305 -0.506 -0.039) 4.335 1.096 ( -2.000 1.060 0.088) 2.265 1.198 ( -0.648 4.282 -0.357) 4.345 1.398 ( 1.076 -0.040 -3.798) 3.948 1.463 ( 0.918 -1.448 -4.137) 4.478 1.687 ( -1.686 -3.099 3.296) 4.828 2.370 ( -0.369 15.235 0.662) 15.254 2.668 ( 0.894 2.677 -2.991) 4.112 2.741 ( 0.033 -0.545 0.422) 0.690 2.916 ( 6.418 11.156 -11.797) 17.460 3.071 ( 0.600 -1.137 0.259) 1.312 3.157 ( 2.688 8.269 -4.536) 9.806 3.271 ( -0.028 1.510 -3.284) 3.615 3.350 ( -0.712 -1.906 2.030) 2.874 3.443 ( 0.114 0.299 -0.021) 0.321 3.645 ( 0.446 -6.020 -1.127) 6.141 3.836 ( -0.017 -6.382 0.848) 6.438 3.888 ( -1.032 -4.181 -0.372) 4.323 ======================= Grid point 164 (56/199) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 11.316 0.000 2.731) 11.641 0.266 ( 11.645 0.000 4.253) 12.397 0.346 ( -1.407 -0.000 9.459) 9.563 0.517 ( -0.872 -0.000 1.558) 1.786 0.643 ( 0.654 0.000 -1.034) 1.223 0.792 ( -1.116 -0.000 5.002) 5.125 1.036 ( -0.780 -0.000 -0.124) 0.790 1.047 ( -6.443 -0.000 0.357) 6.453 1.190 ( 4.561 0.000 -0.370) 4.576 1.399 ( 1.576 0.000 -3.950) 4.253 1.479 ( 0.478 0.000 -4.410) 4.436 1.744 ( -8.174 -0.000 3.434) 8.866 2.195 ( 1.319 0.000 -0.678) 1.483 2.216 ( 0.790 0.000 0.446) 0.907 2.733 ( 0.271 0.000 -0.025) 0.272 2.753 ( -0.035 -0.000 0.429) 0.430 3.083 ( -1.036 -0.000 0.381) 1.104 3.095 ( -0.482 -0.000 0.170) 0.511 3.252 ( 0.493 0.000 -2.003) 2.063 3.374 ( 0.152 0.000 2.015) 2.020 3.440 ( -0.049 -0.000 0.042) 0.064 3.790 ( 5.276 0.000 -5.422) 7.565 3.929 ( 1.532 0.000 -0.570) 1.635 3.946 ( 1.572 0.000 1.420) 2.119 ======================= Grid point 165 (57/199) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 4.870 -5.108 2.308) 7.425 0.372 ( -0.924 -2.975 5.893) 6.666 0.530 ( 0.557 -2.843 2.706) 3.964 0.591 ( 6.201 -16.628 1.698) 17.828 0.801 ( 0.546 -12.949 -0.015) 12.960 0.803 ( -0.577 -0.874 3.943) 4.079 0.991 ( -5.297 -0.272 0.531) 5.330 1.116 ( 0.243 -5.065 -0.124) 5.073 1.217 ( 2.444 -1.413 -0.396) 2.851 1.402 ( 1.649 -0.253 -3.853) 4.198 1.450 ( 1.094 1.767 -4.724) 5.161 1.662 ( -2.269 2.022 3.241) 4.443 2.384 ( 0.845 -14.871 0.796) 14.916 2.568 ( -6.019 -16.409 -5.004) 18.180 2.741 ( -0.346 0.823 0.293) 0.939 2.808 ( -3.113 -9.785 -3.655) 10.900 3.067 ( -1.347 1.096 -0.002) 1.737 3.080 ( -1.669 -0.247 0.687) 1.822 3.250 ( 0.488 0.197 -1.919) 1.989 3.363 ( 0.198 1.610 1.966) 2.549 3.448 ( -0.014 -0.904 -0.018) 0.905 3.732 ( 3.871 7.414 -3.778) 9.178 3.865 ( 1.078 8.002 1.071) 8.145 3.900 ( 2.270 4.370 -0.456) 4.945 ======================= Grid point 166 (58/199) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.015 -7.044 1.417) 7.185 0.476 ( -1.054 -7.646 3.231) 8.368 0.615 ( -1.288 -5.959 3.989) 7.285 0.830 ( -0.474 -2.033 1.950) 2.857 0.894 ( 0.170 -9.062 0.189) 9.065 0.995 ( -1.676 -6.966 1.328) 7.286 1.069 ( -0.911 -10.162 -0.036) 10.203 1.165 ( 4.147 0.315 0.076) 4.160 1.324 ( -0.457 -8.259 -0.212) 8.274 1.404 ( 0.994 1.614 -4.093) 4.511 1.423 ( 0.877 -0.702 -3.013) 3.215 1.637 ( -0.802 0.581 2.457) 2.649 2.591 ( 0.023 -3.088 -0.598) 3.146 2.670 ( -0.763 1.193 0.752) 1.604 2.794 ( 0.617 -8.165 0.810) 8.228 2.916 ( -1.594 -0.674 -1.895) 2.567 3.071 ( -1.855 -3.881 0.844) 4.383 3.145 ( -6.351 -8.854 -1.554) 11.006 3.234 ( 0.396 1.826 -1.336) 2.297 3.328 ( 0.179 2.070 1.303) 2.453 3.476 ( -0.781 -2.186 -0.253) 2.335 3.556 ( 2.784 11.809 -1.872) 12.276 3.685 ( 0.555 10.445 -0.067) 10.460 3.804 ( 2.007 6.519 -1.279) 6.940 ======================= Grid point 167 (59/199) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -1.305 -6.229 2.483) 6.832 0.634 ( -3.806 -8.802 -0.385) 9.597 0.734 ( -3.731 -6.586 5.011) 9.078 0.867 ( -1.775 -1.869 0.380) 2.605 0.990 ( -0.028 -4.783 0.866) 4.861 1.107 ( 2.207 -0.103 0.002) 2.209 1.174 ( -2.010 -5.783 1.352) 6.270 1.253 ( 0.525 -5.349 -1.165) 5.499 1.352 ( -0.024 2.405 -2.518) 3.482 1.450 ( -0.311 -2.547 -0.658) 2.648 1.482 ( 1.135 -6.312 -1.350) 6.554 1.632 ( -0.117 0.277 2.223) 2.243 2.579 ( 0.334 2.837 -0.738) 2.950 2.612 ( 0.078 4.236 0.752) 4.303 2.878 ( 0.666 1.189 -0.605) 1.491 2.897 ( 0.422 -0.631 0.340) 0.832 3.117 ( -0.737 6.484 0.714) 6.565 3.209 ( -0.878 -3.989 1.804) 4.465 3.221 ( 0.772 4.889 -0.176) 4.952 3.318 ( -0.199 -1.220 -0.202) 1.252 3.363 ( -2.682 1.369 -0.432) 3.042 3.513 ( -0.106 4.914 -0.768) 4.975 3.535 ( -1.835 -2.438 -1.340) 3.333 3.689 ( 0.588 5.279 -2.075) 5.702 ======================= Grid point 168 (60/199) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.503 -5.394 1.580) 5.818 0.738 ( -5.331 -5.104 -0.717) 7.415 0.835 ( -3.486 -4.094 3.223) 6.269 0.889 ( -4.434 -3.649 2.002) 6.081 1.068 ( 4.146 0.612 0.196) 4.196 1.141 ( 0.618 -5.043 0.530) 5.108 1.222 ( -3.003 0.029 1.924) 3.567 1.314 ( 0.017 -1.769 -1.438) 2.280 1.349 ( -0.753 -3.421 -2.284) 4.182 1.482 ( -0.769 -1.101 0.085) 1.346 1.571 ( 0.633 -2.244 -0.723) 2.441 1.629 ( 0.300 0.603 1.506) 1.650 2.491 ( 0.492 7.183 0.399) 7.211 2.512 ( 0.822 6.225 -0.569) 6.305 2.833 ( 0.457 3.117 0.111) 3.153 2.904 ( 1.041 1.912 -0.034) 2.178 2.984 ( -0.190 5.038 0.043) 5.041 3.015 ( 1.334 8.968 0.232) 9.070 3.264 ( -0.707 -1.011 0.816) 1.479 3.341 ( -0.970 0.213 1.249) 1.596 3.412 ( 0.355 -2.639 0.928) 2.820 3.466 ( -0.851 -1.358 -1.616) 2.276 3.569 ( -1.955 -0.937 -0.607) 2.251 3.630 ( -1.757 -0.453 -2.968) 3.479 ======================= Grid point 169 (61/199) ======================= q-point: ( 0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.865 -2.185 0.059) 2.351 0.794 ( -4.136 -4.292 0.447) 5.977 0.865 ( -1.918 -1.902 1.286) 2.991 0.970 ( -3.652 -5.132 3.673) 7.292 1.048 ( 2.921 2.688 -0.327) 3.983 1.173 ( -1.333 1.855 2.815) 3.626 1.276 ( 1.050 -5.548 -0.261) 5.653 1.353 ( -1.314 -2.053 -0.187) 2.445 1.405 ( -0.195 -3.003 -2.418) 3.860 1.483 ( -1.151 0.196 0.696) 1.359 1.587 ( 0.333 0.058 -0.541) 0.639 1.612 ( 0.267 1.662 0.210) 1.696 2.337 ( 0.032 7.468 0.214) 7.472 2.381 ( 0.861 7.114 -0.831) 7.214 2.789 ( 0.379 1.491 0.264) 1.561 2.825 ( 0.911 3.887 0.040) 3.993 2.937 ( 0.563 0.901 0.094) 1.067 2.953 ( -0.394 0.838 0.081) 0.930 3.274 ( -0.624 -0.556 0.708) 1.096 3.321 ( -0.227 1.163 1.027) 1.569 3.444 ( 0.404 -0.482 0.625) 0.887 3.488 ( -0.071 -0.494 0.181) 0.531 3.586 ( -0.416 -2.409 -2.105) 3.226 3.639 ( -1.843 -1.356 -2.073) 3.088 ======================= Grid point 170 (62/199) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.088 -1.085 -0.308) 1.132 0.852 ( -1.050 -2.746 0.719) 3.026 0.887 ( -0.193 -0.168 1.729) 1.748 1.015 ( 1.353 1.849 -0.347) 2.317 1.039 ( -0.758 -2.233 3.022) 3.833 1.149 ( -0.454 -0.185 2.861) 2.902 1.303 ( -3.156 2.352 -0.300) 3.947 1.392 ( 1.620 -2.384 -0.659) 2.957 1.465 ( 0.045 -3.303 -0.700) 3.377 1.483 ( 0.577 -0.424 0.244) 0.757 1.570 ( 0.432 2.718 -0.447) 2.788 1.583 ( -0.134 0.473 -0.569) 0.752 2.259 ( -0.164 -0.123 -0.316) 0.377 2.298 ( -0.024 0.698 -0.486) 0.850 2.774 ( 0.603 0.556 0.488) 0.954 2.793 ( -0.047 0.140 -0.245) 0.287 2.932 ( -0.043 -0.001 0.083) 0.094 2.939 ( -0.333 0.370 0.152) 0.521 3.287 ( -0.460 -1.056 0.848) 1.430 3.303 ( -0.097 0.802 0.890) 1.202 3.439 ( -0.439 0.953 0.329) 1.099 3.492 ( 0.002 -0.054 0.306) 0.311 3.635 ( 1.607 -2.398 -2.102) 3.571 3.649 ( -0.114 -0.633 -1.700) 1.818 ======================= Grid point 171 (63/199) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.517 1.477 -0.115) 1.569 0.864 ( -0.522 1.109 2.824) 3.078 0.884 ( 2.900 1.121 0.730) 3.194 0.992 ( -0.376 0.682 -0.214) 0.807 1.044 ( 0.963 2.218 0.946) 2.596 1.172 ( 0.194 0.400 1.457) 1.523 1.243 ( -2.582 0.446 1.751) 3.151 1.418 ( 1.983 0.507 -1.090) 2.319 1.476 ( 2.034 1.288 -1.486) 2.830 1.518 ( 0.610 3.006 0.515) 3.110 1.532 ( -0.140 -2.437 0.376) 2.470 1.563 ( -1.419 0.580 -0.470) 1.603 2.330 ( 0.154 -6.411 -0.150) 6.414 2.364 ( -0.977 -7.330 -0.304) 7.401 2.786 ( 0.300 -1.795 0.397) 1.863 2.807 ( -0.669 -1.958 -0.127) 2.073 2.934 ( -0.402 -0.435 -0.381) 0.704 2.942 ( -0.105 -1.022 0.487) 1.137 3.291 ( -0.120 0.731 0.829) 1.112 3.316 ( -0.173 -2.058 0.808) 2.217 3.411 ( -0.402 1.743 0.324) 1.818 3.493 ( 0.022 -0.119 0.116) 0.168 3.648 ( 0.956 0.962 -1.618) 2.111 3.680 ( 2.549 -1.345 -2.165) 3.605 ======================= Grid point 172 (64/199) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.604 6.403 2.794) 7.012 0.847 ( 3.147 4.785 -0.172) 5.730 0.865 ( -0.456 0.062 2.087) 2.137 0.944 ( 1.500 7.031 0.716) 7.225 0.998 ( 0.096 0.572 -0.734) 0.935 1.129 ( -2.291 2.445 1.639) 3.730 1.248 ( 0.892 0.510 0.295) 1.069 1.392 ( 2.144 3.103 -0.524) 3.808 1.441 ( -1.254 4.822 -0.424) 5.001 1.458 ( 1.188 1.546 -1.707) 2.591 1.539 ( -0.760 0.699 -0.470) 1.135 1.580 ( 0.125 -1.633 1.830) 2.456 2.468 ( 0.484 -6.850 -0.246) 6.872 2.509 ( -1.192 -7.078 0.125) 7.179 2.839 ( -0.318 -2.618 0.005) 2.637 2.859 ( -0.489 -2.912 0.351) 2.973 2.979 ( 0.194 -5.434 -0.088) 5.438 2.996 ( -0.563 -6.548 0.219) 6.576 3.272 ( -0.223 1.623 1.201) 2.031 3.366 ( -0.381 1.976 -0.085) 2.015 3.369 ( 0.600 -2.405 0.937) 2.650 3.505 ( 0.221 -1.187 -0.239) 1.230 3.609 ( 1.126 3.507 -1.220) 3.880 3.704 ( 2.289 -0.260 -2.955) 3.747 ======================= Grid point 173 (65/199) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -1.131 7.523 4.671) 8.927 0.731 ( 0.070 9.123 -0.145) 9.125 0.755 ( 1.266 10.139 1.073) 10.274 0.862 ( -0.619 1.942 2.033) 2.879 1.000 ( 1.675 0.175 -0.569) 1.778 1.081 ( -2.559 1.297 1.091) 3.070 1.186 ( 0.790 7.462 0.064) 7.504 1.295 ( -1.404 9.021 0.813) 9.166 1.359 ( 1.188 0.881 -2.236) 2.681 1.439 ( 0.808 0.922 -2.154) 2.479 1.488 ( -0.201 4.157 -0.923) 4.263 1.615 ( -0.288 -1.549 2.113) 2.636 2.574 ( 0.394 -3.867 -0.725) 3.954 2.609 ( -0.472 -4.179 0.653) 4.256 2.859 ( 0.009 0.599 -0.369) 0.704 2.896 ( -0.229 -1.745 0.524) 1.836 3.122 ( 0.253 -7.456 0.434) 7.473 3.200 ( -0.948 -8.653 1.084) 8.772 3.206 ( 0.053 1.523 0.930) 1.785 3.316 ( 0.387 1.474 -0.484) 1.599 3.430 ( 0.534 -1.371 0.165) 1.480 3.527 ( 0.358 1.287 -1.809) 2.249 3.558 ( 0.998 -1.635 -0.188) 1.925 3.719 ( 0.713 -1.823 -3.416) 3.937 ======================= Grid point 174 (66/199) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.734 7.782 5.571) 9.599 0.504 ( -2.417 11.479 3.039) 12.118 0.609 ( 1.153 6.626 -0.547) 6.748 0.823 ( -0.920 2.134 3.143) 3.909 0.888 ( -0.666 15.018 0.582) 15.044 1.054 ( -3.165 7.679 0.255) 8.310 1.064 ( 4.350 -0.003 0.108) 4.352 1.097 ( -1.796 6.212 0.838) 6.520 1.318 ( 1.037 5.884 -0.891) 6.041 1.405 ( 1.182 1.264 -3.100) 3.550 1.440 ( 0.046 -0.340 -3.413) 3.430 1.643 ( -1.129 -1.496 2.169) 2.867 2.598 ( -0.302 3.291 -0.574) 3.354 2.670 ( 0.277 -1.780 0.717) 1.939 2.780 ( -0.102 6.911 0.961) 6.978 2.941 ( 0.568 -2.560 -1.463) 3.003 3.080 ( 0.357 3.273 1.019) 3.447 3.236 ( -0.480 -1.685 -1.120) 2.079 3.308 ( 0.267 -1.771 0.779) 1.953 3.345 ( -4.854 4.228 -5.631) 8.553 3.453 ( 4.344 -1.925 -0.129) 4.753 3.512 ( 0.780 -4.963 -0.276) 5.032 3.679 ( 0.006 -8.874 -0.691) 8.901 3.788 ( 0.118 -5.244 -1.541) 5.467 ======================= Grid point 177 (67/199) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -0.981 -0.000 3.410) 3.548 0.354 ( 11.324 0.000 1.615) 11.438 0.414 ( 10.875 0.000 1.366) 10.960 0.534 ( 0.707 0.000 8.225) 8.256 0.654 ( 1.913 0.000 -0.827) 2.084 0.802 ( -0.155 -0.000 3.834) 3.837 0.973 ( -6.463 -0.000 0.308) 6.471 1.022 ( -1.542 -0.000 -0.082) 1.544 1.236 ( 3.492 0.000 -0.636) 3.549 1.403 ( 1.758 0.000 -3.946) 4.320 1.471 ( 1.114 0.000 -4.815) 4.942 1.684 ( -4.857 -0.000 3.984) 6.282 2.212 ( 2.039 0.000 -0.636) 2.136 2.233 ( 1.872 0.000 0.494) 1.936 2.737 ( 0.313 0.000 0.111) 0.332 2.753 ( -0.172 -0.000 0.168) 0.241 3.072 ( -1.080 -0.000 0.321) 1.126 3.085 ( -1.264 -0.000 -0.130) 1.271 3.252 ( 0.789 0.000 -1.819) 1.983 3.384 ( 0.154 0.000 2.217) 2.222 3.440 ( -0.064 -0.000 0.042) 0.077 3.817 ( 2.997 0.000 -4.029) 5.021 3.946 ( 1.671 0.000 -1.538) 2.271 3.971 ( 2.275 0.000 1.521) 2.737 ======================= Grid point 178 (68/199) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 2.872 -1.754 -1.010) 3.514 0.388 ( 4.150 -1.871 3.755) 5.901 0.554 ( 0.422 -1.494 7.791) 7.944 0.671 ( 6.080 -13.036 0.790) 14.405 0.806 ( 0.187 -6.396 1.612) 6.598 0.819 ( 1.110 -6.425 1.573) 6.707 0.935 ( -4.677 -1.268 0.602) 4.883 1.108 ( -1.217 -7.712 -0.248) 7.811 1.245 ( 2.415 0.374 -0.452) 2.486 1.407 ( 1.558 -0.224 -3.692) 4.014 1.446 ( 1.461 1.855 -4.931) 5.467 1.650 ( -1.845 1.009 3.366) 3.969 2.397 ( 1.060 -13.955 0.228) 13.997 2.494 ( -3.933 -18.510 -2.156) 19.046 2.737 ( -0.484 0.448 0.252) 0.706 2.780 ( -0.833 -4.402 -1.142) 4.623 3.050 ( -1.520 1.477 0.053) 2.120 3.064 ( -1.551 0.617 0.366) 1.709 3.251 ( 0.860 0.301 -1.648) 1.883 3.372 ( -0.019 1.678 2.139) 2.719 3.447 ( -0.183 -0.777 0.027) 0.799 3.756 ( 2.728 7.138 -3.121) 8.254 3.876 ( 0.507 7.694 -0.005) 7.711 3.934 ( 3.656 5.099 -0.159) 6.276 ======================= Grid point 179 (69/199) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.168 -5.205 0.010) 5.208 0.484 ( 0.781 -5.571 2.381) 6.108 0.619 ( -1.484 -4.112 6.694) 7.996 0.829 ( -0.679 -1.625 0.760) 1.918 0.889 ( -1.173 -5.723 0.730) 5.888 0.989 ( -0.424 -8.603 1.299) 8.711 1.062 ( -0.319 -9.586 -0.067) 9.592 1.209 ( 3.544 -0.536 -0.014) 3.584 1.314 ( -0.986 -8.588 -0.284) 8.649 1.401 ( 1.218 2.518 -4.226) 5.068 1.424 ( 1.080 -1.232 -2.882) 3.315 1.639 ( -0.673 0.246 2.810) 2.900 2.589 ( 0.042 -3.090 -0.702) 3.169 2.662 ( -1.100 0.036 0.812) 1.368 2.805 ( 0.788 -8.569 0.584) 8.625 2.888 ( -1.851 -4.056 -1.853) 4.828 3.048 ( -2.236 -4.441 -0.027) 4.972 3.083 ( -4.232 -6.101 0.584) 7.447 3.237 ( 0.857 1.782 -1.075) 2.251 3.333 ( -0.320 2.351 1.637) 2.882 3.465 ( -0.965 -1.161 -0.180) 1.521 3.580 ( 2.754 11.757 -2.235) 12.280 3.690 ( 0.267 10.965 -0.024) 10.968 3.825 ( 2.443 7.581 -1.010) 8.029 ======================= Grid point 180 (70/199) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -1.969 -6.080 0.663) 6.425 0.598 ( -2.218 -6.104 0.659) 6.528 0.710 ( -3.924 -5.821 6.499) 9.567 0.840 ( -3.041 -0.560 -0.136) 3.095 0.996 ( 0.335 -6.496 0.750) 6.548 1.127 ( 0.363 -3.486 0.495) 3.539 1.159 ( -0.831 -2.547 1.146) 2.914 1.262 ( 1.537 -3.488 -0.963) 3.932 1.344 ( 0.582 2.573 -3.176) 4.128 1.441 ( -0.909 -3.074 -0.010) 3.205 1.490 ( 1.025 -5.942 -1.678) 6.259 1.638 ( -0.294 0.104 2.283) 2.304 2.580 ( 0.361 2.550 -0.738) 2.679 2.614 ( -0.087 3.853 0.710) 3.919 2.884 ( 0.694 1.363 -0.269) 1.553 2.904 ( 0.521 -1.253 -0.086) 1.359 3.111 ( -0.632 5.649 0.892) 5.753 3.199 ( -1.776 -6.252 0.965) 6.570 3.228 ( 0.233 -0.548 0.425) 0.731 3.314 ( -0.225 1.297 -0.580) 1.439 3.339 ( -1.313 4.747 0.057) 4.925 3.505 ( -1.376 -0.701 -0.581) 1.650 3.513 ( -0.313 4.812 -1.598) 5.080 3.691 ( 0.818 6.516 -1.462) 6.728 ======================= Grid point 181 (71/199) ======================= q-point: ( 0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -4.221 -5.669 -0.282) 7.074 0.692 ( -1.840 -4.866 0.848) 5.271 0.808 ( -3.588 -3.346 3.795) 6.203 0.844 ( -4.379 -4.528 1.938) 6.590 1.112 ( 2.590 -0.677 0.462) 2.717 1.150 ( 1.083 -2.864 0.370) 3.084 1.198 ( -2.106 -2.015 1.851) 3.453 1.315 ( 0.891 -0.340 -1.426) 1.715 1.334 ( -0.267 -3.636 -2.344) 4.335 1.472 ( -1.051 -0.933 0.416) 1.466 1.571 ( -0.006 -2.148 -0.968) 2.356 1.635 ( -0.150 0.625 1.189) 1.352 2.497 ( 0.321 7.177 0.394) 7.195 2.519 ( 0.734 6.027 -0.611) 6.103 2.843 ( 1.109 3.403 0.428) 3.605 2.910 ( 0.069 1.427 -0.310) 1.462 2.982 ( -0.068 4.480 0.168) 4.484 3.032 ( 1.382 10.524 0.090) 10.614 3.259 ( -0.659 -1.054 0.781) 1.468 3.335 ( -0.950 -0.573 1.440) 1.818 3.418 ( 0.054 -4.567 0.553) 4.601 3.454 ( -0.206 -0.936 -1.453) 1.741 3.539 ( -2.619 -1.931 -0.977) 3.398 3.607 ( -0.551 1.343 -2.249) 2.677 ======================= Grid point 182 (72/199) ======================= q-point: ( 0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -1.674 -4.044 -0.414) 4.396 0.757 ( -2.305 -3.943 0.775) 4.633 0.849 ( -1.502 -3.397 1.126) 3.881 0.944 ( -3.283 -5.980 3.934) 7.875 1.079 ( 2.442 3.229 -0.040) 4.049 1.167 ( -1.514 1.159 2.802) 3.389 1.283 ( 0.769 -4.181 -1.050) 4.379 1.344 ( -0.426 -2.301 0.115) 2.343 1.397 ( 0.329 -3.331 -1.996) 3.897 1.474 ( -0.974 -0.276 1.076) 1.477 1.584 ( -0.204 0.047 -1.261) 1.278 1.614 ( 0.047 1.518 0.255) 1.540 2.338 ( -0.015 7.760 0.248) 7.764 2.386 ( 0.607 7.408 -0.884) 7.485 2.796 ( 0.668 1.626 0.376) 1.798 2.834 ( 0.610 4.073 0.063) 4.119 2.943 ( 0.390 0.993 -0.011) 1.067 2.947 ( -0.475 1.023 0.105) 1.133 3.271 ( -0.463 -0.602 0.776) 1.086 3.322 ( -0.284 1.033 1.008) 1.471 3.450 ( 0.366 0.167 0.418) 0.580 3.486 ( -0.405 -0.815 0.329) 0.968 3.575 ( -0.059 -3.649 -2.021) 4.172 3.615 ( -0.997 -1.972 -2.012) 2.989 ======================= Grid point 183 (73/199) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -0.118 -1.532 -0.474) 1.608 0.845 ( -0.542 -4.837 0.705) 4.918 0.890 ( -0.487 -0.304 1.803) 1.892 1.012 ( -1.058 0.432 0.122) 1.149 1.060 ( 1.994 -1.218 1.929) 3.030 1.149 ( -1.727 -0.955 3.233) 3.787 1.274 ( -1.502 3.257 0.069) 3.588 1.402 ( 0.694 -2.577 -1.121) 2.895 1.465 ( 0.202 -3.391 -0.054) 3.397 1.492 ( 0.752 -1.280 0.289) 1.512 1.565 ( -0.422 1.487 -1.538) 2.181 1.586 ( 0.504 1.763 0.191) 1.844 2.258 ( 0.173 -0.126 -0.196) 0.290 2.294 ( -0.254 1.096 -0.495) 1.229 2.784 ( 0.770 0.433 0.482) 1.006 2.791 ( -0.103 0.831 -0.118) 0.846 2.931 ( -0.109 0.366 -0.003) 0.381 2.935 ( -0.439 0.117 0.048) 0.457 3.286 ( -0.366 -1.104 0.837) 1.433 3.305 ( -0.193 0.753 0.851) 1.153 3.436 ( -0.238 1.133 0.496) 1.260 3.493 ( -0.133 -0.090 0.198) 0.255 3.636 ( 0.194 -2.025 -2.799) 3.460 3.651 ( 1.193 -2.441 -1.047) 2.911 ======================= Grid point 184 (74/199) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.146 1.345 -0.399) 1.411 0.866 ( -0.916 1.299 3.149) 3.527 0.913 ( 1.580 -0.424 0.570) 1.733 0.983 ( -0.550 0.266 -0.450) 0.759 1.059 ( 0.526 2.801 0.559) 2.904 1.181 ( 0.605 2.813 1.627) 3.305 1.221 ( -2.448 -2.395 2.132) 4.034 1.430 ( 0.944 0.044 -1.649) 1.900 1.487 ( 0.697 1.323 -1.699) 2.263 1.518 ( -2.176 0.275 0.790) 2.331 1.533 ( 1.477 1.733 -0.469) 2.325 1.559 ( 0.748 -0.454 0.863) 1.229 2.334 ( 0.712 -6.457 -0.268) 6.501 2.352 ( -0.902 -7.092 -0.065) 7.149 2.792 ( 0.053 -1.394 0.339) 1.436 2.800 ( -0.090 -1.874 0.000) 1.876 2.928 ( -0.232 -0.641 -0.341) 0.763 2.943 ( 0.018 -0.965 0.424) 1.054 3.291 ( -0.316 0.650 0.719) 1.019 3.317 ( -0.170 -2.104 0.820) 2.265 3.410 ( 0.032 1.656 0.674) 1.788 3.493 ( -0.074 -0.168 0.020) 0.185 3.647 ( 0.122 0.384 -2.416) 2.450 3.697 ( 1.596 -1.371 -1.697) 2.703 ======================= Grid point 185 (75/199) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.037 6.182 2.538) 6.763 0.850 ( -1.237 2.184 0.616) 2.584 0.883 ( 1.068 3.117 1.499) 3.620 0.952 ( -0.358 6.530 0.486) 6.557 1.004 ( 0.902 0.193 -0.604) 1.103 1.112 ( -1.397 3.324 1.676) 3.976 1.255 ( 0.218 -0.351 0.127) 0.432 1.398 ( -0.512 2.986 -1.570) 3.412 1.416 ( -2.559 4.787 -0.125) 5.430 1.471 ( 1.928 2.374 -1.129) 3.260 1.535 ( 0.417 0.657 -0.331) 0.846 1.591 ( 0.518 -1.477 1.822) 2.402 2.474 ( 0.676 -6.824 -0.304) 6.864 2.499 ( -0.620 -7.195 0.202) 7.224 2.837 ( -0.147 -2.447 0.005) 2.451 2.859 ( 0.269 -3.028 0.479) 3.077 2.982 ( 0.300 -5.396 0.041) 5.404 2.992 ( -0.217 -6.471 0.163) 6.476 3.273 ( -0.360 1.470 1.153) 1.902 3.360 ( -0.593 -0.002 0.294) 0.662 3.381 ( 0.717 -0.572 0.963) 1.330 3.504 ( -0.199 -1.035 -0.515) 1.173 3.611 ( 0.155 2.849 -1.387) 3.172 3.710 ( 0.605 0.205 -3.087) 3.153 ======================= Grid point 186 (76/199) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -1.161 7.147 4.396) 8.470 0.717 ( -2.208 10.715 -0.442) 10.949 0.764 ( -0.585 8.240 1.698) 8.433 0.869 ( 0.264 2.664 1.933) 3.302 1.006 ( -0.644 0.764 -0.082) 1.003 1.067 ( 0.114 0.418 0.535) 0.689 1.192 ( 0.094 8.049 0.195) 8.052 1.276 ( -1.736 7.792 -0.189) 7.985 1.365 ( 0.774 0.218 -1.507) 1.708 1.442 ( 1.254 1.406 -2.228) 2.918 1.482 ( -0.268 4.758 -0.687) 4.815 1.620 ( -0.206 -1.046 1.977) 2.247 2.576 ( 0.407 -3.439 -0.742) 3.542 2.607 ( -0.261 -4.567 0.686) 4.626 2.862 ( 0.767 0.526 -0.366) 1.000 2.895 ( -0.312 -1.717 0.564) 1.834 3.125 ( -0.149 -8.179 0.394) 8.190 3.199 ( -0.122 -7.169 1.331) 7.292 3.210 ( 0.055 1.232 0.952) 1.558 3.318 ( 0.282 1.610 -0.348) 1.671 3.425 ( -1.385 -0.912 -0.281) 1.682 3.522 ( 0.049 -1.483 -1.600) 2.182 3.565 ( 0.112 0.624 -0.234) 0.676 3.709 ( -0.094 -2.011 -3.625) 4.147 ======================= Grid point 190 (77/199) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.934 0.000 -0.221) 0.960 0.478 ( 8.982 0.000 1.101) 9.049 0.516 ( 4.193 0.000 4.780) 6.358 0.592 ( 4.173 0.000 7.359) 8.459 0.680 ( 3.079 0.000 -0.670) 3.151 0.815 ( -0.145 -0.000 3.025) 3.028 0.907 ( -4.610 -0.000 0.251) 4.617 1.000 ( -2.122 -0.000 -0.041) 2.122 1.264 ( 1.940 0.000 -0.924) 2.148 1.409 ( 1.575 0.000 -3.496) 3.834 1.467 ( 1.573 0.000 -5.453) 5.676 1.657 ( -2.636 -0.000 3.984) 4.777 2.236 ( 2.281 0.000 -0.467) 2.328 2.261 ( 2.530 0.000 0.481) 2.576 2.738 ( -0.477 -0.000 0.310) 0.569 2.753 ( 0.348 0.000 -0.181) 0.393 3.060 ( -1.305 -0.000 0.251) 1.329 3.067 ( -1.555 -0.000 -0.348) 1.594 3.256 ( 1.016 0.000 -1.508) 1.819 3.393 ( -0.172 -0.000 2.337) 2.344 3.439 ( -0.062 -0.000 0.044) 0.076 3.834 ( 2.167 0.000 -2.705) 3.466 3.952 ( 0.575 0.000 -1.871) 1.958 4.014 ( 4.017 0.000 1.006) 4.141 ======================= Grid point 191 (78/199) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 1.677 -2.208 -0.855) 2.902 0.472 ( 6.110 1.415 3.263) 7.070 0.588 ( 0.177 -0.945 7.524) 7.585 0.726 ( 2.803 -9.123 0.669) 9.568 0.816 ( -0.122 -2.789 2.012) 3.441 0.835 ( 0.732 -8.347 0.938) 8.431 0.899 ( -1.178 -2.989 0.389) 3.236 1.090 ( -1.683 -8.870 -0.298) 9.033 1.266 ( 1.578 0.429 -0.656) 1.762 1.411 ( 1.373 -0.121 -3.306) 3.582 1.446 ( 1.665 1.874 -5.242) 5.810 1.646 ( -1.189 0.419 3.618) 3.831 2.408 ( 0.872 -12.884 -0.679) 12.932 2.462 ( -1.249 -16.414 0.169) 16.462 2.733 ( -0.462 -0.106 0.327) 0.576 2.772 ( -0.194 -2.223 -0.687) 2.335 3.034 ( -1.345 1.645 0.075) 2.126 3.047 ( -1.528 0.768 0.126) 1.715 3.256 ( 1.010 0.346 -1.369) 1.736 3.378 ( -0.404 1.769 2.245) 2.886 3.445 ( -0.229 -0.558 0.037) 0.605 3.774 ( 2.281 6.849 -2.455) 7.625 3.878 ( 0.082 7.387 -1.031) 7.459 3.979 ( 3.877 5.882 0.204) 7.048 ======================= Grid point 192 (79/199) ======================= q-point: ( 0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.413 -4.274 0.169) 4.297 0.514 ( 2.944 -2.223 1.846) 4.125 0.625 ( -2.317 -2.421 7.312) 8.044 0.818 ( -1.598 -0.632 -0.082) 1.721 0.879 ( -1.113 -5.455 1.359) 5.731 0.989 ( -0.575 -8.295 1.059) 8.382 1.062 ( 0.288 -8.615 0.050) 8.620 1.244 ( 2.509 -2.750 -0.174) 3.727 1.302 ( -0.780 -7.301 -0.414) 7.355 1.399 ( 1.323 2.508 -4.309) 5.158 1.426 ( 1.119 -1.358 -2.746) 3.261 1.642 ( -0.688 0.150 3.086) 3.165 2.587 ( 0.046 -3.188 -0.853) 3.300 2.652 ( -1.127 -1.059 0.908) 1.793 2.817 ( 0.915 -8.751 0.404) 8.808 2.864 ( -1.275 -6.407 -1.308) 6.662 3.023 ( -1.878 -4.034 -0.142) 4.452 3.048 ( -2.516 -3.602 1.174) 4.548 3.244 ( 0.949 1.684 -0.951) 2.154 3.332 ( -0.820 2.679 1.879) 3.373 3.454 ( -0.690 -0.499 -0.096) 0.857 3.602 ( 2.597 11.655 -2.482) 12.196 3.689 ( -0.237 11.067 -0.260) 11.073 3.850 ( 2.257 8.759 -0.662) 9.069 ======================= Grid point 193 (80/199) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.919 -4.047 -0.029) 4.150 0.583 ( -1.292 -4.733 1.163) 5.043 0.694 ( -3.429 -5.291 7.322) 9.662 0.800 ( -3.371 0.344 -0.486) 3.423 1.003 ( 0.524 -7.207 0.640) 7.254 1.114 ( -2.567 -4.845 1.513) 5.688 1.169 ( 1.522 -2.479 -0.002) 2.909 1.279 ( 1.871 -1.216 -0.739) 2.350 1.341 ( 1.063 2.155 -3.514) 4.257 1.431 ( -0.991 -3.304 0.269) 3.460 1.493 ( 0.685 -5.407 -1.803) 5.740 1.641 ( -0.696 0.106 2.166) 2.277 2.582 ( 0.406 2.286 -0.684) 2.420 2.615 ( -0.290 3.479 0.582) 3.539 2.893 ( 0.941 0.817 0.059) 1.247 2.908 ( 0.271 -0.971 -0.167) 1.022 3.109 ( -0.418 5.054 1.153) 5.201 3.179 ( -1.861 -8.757 0.502) 8.967 3.230 ( -0.280 -4.644 1.016) 4.762 3.309 ( -0.196 2.080 -1.106) 2.364 3.332 ( -0.226 9.294 0.099) 9.297 3.487 ( -0.887 -0.906 -0.976) 1.600 3.509 ( 0.107 6.506 -1.050) 6.591 3.695 ( 0.747 7.356 -1.153) 7.483 ======================= Grid point 194 (81/199) ======================= q-point: ( 0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.498 -5.315 -0.408) 5.887 0.686 ( -0.533 -5.123 1.607) 5.396 0.777 ( -3.532 -2.136 1.720) 4.472 0.812 ( -2.823 -5.872 3.712) 7.498 1.124 ( -0.533 -2.130 1.305) 2.554 1.167 ( 0.807 -2.664 0.198) 2.790 1.193 ( 0.492 -1.352 0.865) 1.679 1.315 ( 0.015 -0.822 -2.014) 2.175 1.332 ( 1.230 -2.621 -1.765) 3.390 1.463 ( -0.799 -0.856 0.835) 1.438 1.565 ( -0.280 -1.986 -1.285) 2.382 1.634 ( -0.623 0.631 0.827) 1.213 2.500 ( -0.143 7.234 0.318) 7.243 2.525 ( 0.772 5.829 -0.570) 5.907 2.860 ( 1.145 3.753 0.729) 3.991 2.906 ( -0.336 1.297 -0.188) 1.353 2.984 ( 0.113 4.028 0.310) 4.041 3.044 ( 0.649 11.434 -0.274) 11.455 3.256 ( -0.446 -1.199 0.825) 1.522 3.330 ( -0.867 -1.331 1.490) 2.178 3.417 ( -0.286 -6.221 -0.146) 6.229 3.451 ( 0.444 -0.238 -0.995) 1.115 3.509 ( -1.508 -2.171 -1.171) 2.891 3.598 ( 0.191 2.317 -1.677) 2.867 ======================= Grid point 195 (82/199) ======================= q-point: (-0.33 -0.75 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.192 -6.238 0.050) 6.241 0.743 ( -0.988 -2.269 0.628) 2.554 0.839 ( -0.895 -4.611 0.650) 4.742 0.926 ( -2.495 -6.330 4.025) 7.905 1.102 ( 1.450 2.707 0.518) 3.115 1.157 ( -1.981 1.559 2.018) 3.229 1.289 ( 0.941 -3.379 -1.360) 3.762 1.340 ( -0.360 -2.513 0.112) 2.541 1.399 ( 1.080 -3.484 -1.213) 3.844 1.470 ( -0.361 -0.723 1.450) 1.660 1.574 ( -0.444 0.134 -1.767) 1.827 1.614 ( -0.176 1.132 0.070) 1.148 2.338 ( -0.066 7.731 0.265) 7.736 2.389 ( 0.420 7.790 -0.886) 7.852 2.805 ( 0.397 1.866 0.537) 1.982 2.839 ( 0.142 3.851 0.087) 3.855 2.939 ( -0.443 1.209 -0.332) 1.330 2.949 ( 0.265 1.209 0.301) 1.274 3.270 ( -0.221 -0.614 0.840) 1.064 3.322 ( -0.397 0.963 0.954) 1.413 3.454 ( -0.053 0.656 0.277) 0.714 3.482 ( -0.417 -1.230 0.325) 1.339 3.571 ( 0.608 -4.318 -2.005) 4.799 3.603 ( 0.236 -2.215 -1.803) 2.866 ======================= Grid point 196 (83/199) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.071 -1.509 -0.601) 1.626 0.846 ( 0.231 -5.771 0.750) 5.824 0.889 ( -0.886 -0.413 1.870) 2.110 0.999 ( -1.162 -0.019 -0.013) 1.162 1.088 ( 1.607 -0.206 1.364) 2.118 1.132 ( -3.176 -1.969 3.292) 4.980 1.274 ( 1.122 3.791 0.718) 4.018 1.402 ( 0.105 -2.894 -1.226) 3.145 1.468 ( 0.131 -3.021 0.334) 3.043 1.499 ( 0.218 -1.148 0.061) 1.170 1.554 ( -0.324 1.028 -1.402) 1.768 1.592 ( 0.442 1.441 -0.057) 1.508 2.262 ( 0.479 -0.293 0.014) 0.561 2.290 ( -0.140 1.379 -0.621) 1.519 2.785 ( -0.531 0.598 0.053) 0.801 2.796 ( 0.530 0.918 0.410) 1.137 2.929 ( -0.131 0.817 -0.066) 0.830 2.931 ( -0.064 -0.373 -0.037) 0.380 3.285 ( -0.222 -0.995 0.849) 1.326 3.305 ( -0.333 0.639 0.809) 1.083 3.437 ( 0.022 1.061 0.680) 1.260 3.491 ( -0.194 -0.135 0.088) 0.253 3.627 ( 0.144 -1.693 -2.738) 3.222 3.660 ( 1.015 -3.018 -1.178) 3.395 ======================= Grid point 197 (84/199) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.604 1.356 -0.505) 1.568 0.866 ( -1.260 1.521 3.166) 3.731 0.921 ( -0.577 -0.631 0.514) 0.998 0.980 ( 0.513 -0.487 -0.577) 0.912 1.056 ( -1.380 3.158 0.791) 3.537 1.194 ( -0.510 3.044 2.030) 3.694 1.209 ( 0.111 -2.233 1.766) 2.849 1.429 ( -0.016 0.343 -1.915) 1.945 1.470 ( -2.476 2.935 -1.645) 4.177 1.503 ( -0.591 -0.588 0.487) 0.966 1.549 ( 1.439 0.608 0.171) 1.571 1.577 ( 1.563 -0.283 0.694) 1.733 2.340 ( -0.090 -6.170 -0.172) 6.173 2.347 ( 0.704 -7.318 -0.131) 7.353 2.788 ( -0.487 -1.687 0.203) 1.767 2.805 ( 0.469 -1.627 0.153) 1.700 2.926 ( 0.018 -0.826 -0.274) 0.871 2.946 ( 0.249 -0.930 0.381) 1.036 3.289 ( -0.490 0.541 0.636) 0.968 3.318 ( -0.208 -1.921 0.868) 2.118 3.416 ( 0.400 1.502 0.951) 1.822 3.492 ( -0.143 -0.169 -0.072) 0.232 3.635 ( -0.445 0.281 -2.730) 2.780 3.702 ( 0.283 -1.057 -1.621) 1.956 ======================= Grid point 198 (85/199) ======================= q-point: (-0.08 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -1.300 5.865 2.269) 6.422 0.833 ( -2.432 2.724 0.959) 3.776 0.887 ( -1.325 4.027 0.751) 4.306 0.946 ( -1.254 5.128 1.282) 5.433 1.008 ( 0.401 -0.077 -0.135) 0.430 1.114 ( 0.635 4.293 1.250) 4.517 1.254 ( -0.478 -1.130 0.340) 1.273 1.369 ( -3.158 4.589 -1.070) 5.673 1.390 ( -1.516 2.754 -1.388) 3.436 1.486 ( 0.898 1.937 -0.584) 2.213 1.546 ( 1.504 1.640 -0.309) 2.247 1.604 ( 0.634 -1.115 1.743) 2.164 2.480 ( 0.436 -6.958 -0.094) 6.973 2.497 ( 0.367 -6.938 -0.005) 6.947 2.834 ( -0.291 -2.673 -0.017) 2.689 2.870 ( 1.195 -2.840 0.477) 3.118 2.985 ( 0.157 -5.568 0.033) 5.570 2.993 ( 0.325 -6.558 0.194) 6.569 3.272 ( -0.507 1.279 1.047) 1.728 3.354 ( -0.739 -0.569 0.661) 1.143 3.393 ( 0.643 0.339 1.018) 1.251 3.496 ( -0.627 -0.345 -0.925) 1.170 3.603 ( -0.604 1.867 -1.290) 2.349 3.695 ( -1.059 0.856 -3.127) 3.411 ======================= Grid point 203 (86/199) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 3.032 0.000 -0.030) 3.032 0.551 ( -1.862 -0.000 8.691) 8.888 0.564 ( 5.232 0.000 0.854) 5.301 0.667 ( 4.736 0.000 2.311) 5.270 0.720 ( 4.168 0.000 -0.770) 4.238 0.804 ( -3.760 -0.000 2.839) 4.712 0.889 ( 1.100 0.000 0.539) 1.225 0.974 ( -2.459 -0.000 -0.018) 2.459 1.275 ( 0.724 0.000 -1.208) 1.408 1.413 ( 1.225 0.000 -2.960) 3.204 1.466 ( 1.773 0.000 -5.869) 6.131 1.651 ( -1.135 -0.000 4.067) 4.222 2.259 ( 1.972 0.000 -0.276) 1.992 2.292 ( 2.486 0.000 0.454) 2.527 2.729 ( -0.999 -0.000 0.179) 1.015 2.759 ( 0.628 0.000 -0.136) 0.643 3.045 ( -1.205 -0.000 0.131) 1.212 3.050 ( -1.189 -0.000 -0.197) 1.205 3.263 ( 0.994 0.000 -1.242) 1.591 3.397 ( -0.552 -0.000 2.318) 2.383 3.439 ( -0.046 -0.000 0.046) 0.065 3.848 ( 1.751 0.000 -1.857) 2.553 3.947 ( 0.108 0.000 -2.482) 2.485 4.064 ( 3.846 0.000 0.933) 3.957 ======================= Grid point 204 (87/199) ======================= q-point: ( 0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 2.685 -1.236 0.356) 2.977 0.535 ( 1.179 0.698 6.257) 6.406 0.618 ( 2.140 0.206 2.745) 3.487 0.739 ( -0.922 -6.209 0.734) 6.319 0.806 ( -2.387 -2.150 2.600) 4.133 0.856 ( 2.407 -7.595 0.322) 7.974 0.905 ( 0.980 -3.790 0.326) 3.929 1.071 ( -1.336 -9.623 -0.257) 9.719 1.276 ( 0.713 -0.100 -0.981) 1.217 1.414 ( 1.274 -0.089 -2.997) 3.258 1.445 ( 1.635 1.858 -5.292) 5.842 1.650 ( -0.647 0.340 3.825) 3.894 2.412 ( 0.613 -12.078 -1.005) 12.135 2.460 ( 0.034 -14.059 1.072) 14.100 2.728 ( -0.495 -0.879 0.342) 1.065 2.769 ( 0.122 -1.125 -0.501) 1.238 3.021 ( -0.867 1.618 0.214) 1.848 3.032 ( -1.035 0.880 0.072) 1.361 3.263 ( 0.914 0.353 -1.192) 1.543 3.380 ( -0.766 1.867 2.268) 3.036 3.442 ( -0.159 -0.374 0.037) 0.409 3.790 ( 1.905 6.584 -1.948) 7.125 3.871 ( -0.288 7.234 -1.905) 7.486 4.020 ( 2.974 6.535 0.496) 7.197 ======================= Grid point 205 (88/199) ======================= q-point: ( 0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 1.113 -3.402 1.276) 3.801 0.558 ( 3.208 0.090 1.709) 3.636 0.617 ( -3.519 -1.367 6.466) 7.487 0.793 ( -2.395 0.006 -0.251) 2.408 0.876 ( -0.348 -5.942 1.571) 6.156 0.983 ( -0.953 -7.256 0.736) 7.355 1.067 ( 0.561 -8.021 0.230) 8.044 1.264 ( 1.183 -7.279 -0.269) 7.380 1.294 ( -0.239 -3.637 -0.502) 3.679 1.398 ( 1.318 2.452 -4.417) 5.221 1.429 ( 1.202 -1.379 -2.598) 3.178 1.645 ( -0.857 0.365 3.199) 3.331 2.585 ( 0.213 -3.306 -0.986) 3.456 2.643 ( -0.894 -1.619 1.013) 2.108 2.829 ( 1.008 -8.876 0.260) 8.937 2.849 ( -0.682 -7.595 -0.627) 7.651 3.006 ( -1.038 -2.699 0.226) 2.900 3.031 ( -1.280 -2.991 0.914) 3.379 3.252 ( 0.935 1.581 -0.945) 2.066 3.328 ( -1.158 2.990 2.035) 3.797 3.449 ( -0.279 -0.207 0.007) 0.347 3.620 ( 2.187 11.755 -2.698) 12.257 3.682 ( -0.740 10.795 -0.503) 10.832 3.870 ( 1.501 9.714 -0.392) 9.837 ======================= Grid point 206 (89/199) ======================= q-point: (-0.42 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.708 -1.777 -0.117) 1.916 0.575 ( -0.899 -4.268 1.476) 4.604 0.684 ( -3.498 -5.147 7.483) 9.733 0.768 ( -1.345 0.501 -0.673) 1.585 1.013 ( 0.664 -7.520 0.728) 7.584 1.089 ( -2.404 -4.234 1.209) 5.016 1.185 ( 1.081 -3.806 -0.088) 3.958 1.294 ( 0.943 0.291 -0.666) 1.190 1.343 ( 1.593 1.654 -3.483) 4.172 1.422 ( -0.652 -3.620 0.300) 3.691 1.493 ( 0.593 -4.813 -1.872) 5.198 1.638 ( -1.194 0.260 1.983) 2.329 2.583 ( 0.189 2.184 -0.573) 2.266 2.613 ( -0.142 3.170 0.411) 3.199 2.903 ( 0.434 0.214 0.077) 0.490 2.911 ( 0.441 -0.396 0.233) 0.637 3.110 ( -0.413 4.153 1.481) 4.428 3.165 ( -0.688 -9.528 0.333) 9.559 3.229 ( -0.569 -5.723 1.116) 5.859 3.302 ( -0.041 1.269 -1.399) 1.889 3.331 ( 0.062 12.036 -0.128) 12.037 3.479 ( 0.002 -0.059 -0.801) 0.803 3.507 ( 0.285 6.271 -0.991) 6.355 3.699 ( 0.570 7.821 -1.026) 7.908 ======================= Grid point 207 (90/199) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 1.263 -5.246 0.300) 5.405 0.689 ( -0.086 -5.490 1.740) 5.760 0.747 ( -2.070 -2.540 0.615) 3.334 0.804 ( -1.215 -5.178 4.196) 6.775 1.121 ( -0.749 -1.247 1.521) 2.104 1.170 ( -0.135 -7.031 0.163) 7.034 1.200 ( -0.291 2.126 0.389) 2.180 1.307 ( 0.218 -1.489 -2.164) 2.635 1.345 ( 2.026 -1.963 -1.435) 3.165 1.462 ( -0.142 -0.993 1.087) 1.479 1.557 ( -0.120 -1.695 -1.516) 2.277 1.627 ( -0.996 0.497 0.529) 1.232 2.496 ( -0.632 7.157 0.114) 7.186 2.533 ( 0.753 5.835 -0.379) 5.896 2.868 ( -0.257 3.710 0.647) 3.775 2.907 ( 0.537 1.555 0.334) 1.678 2.986 ( 0.083 4.056 0.413) 4.078 3.043 ( -0.489 11.470 -0.690) 11.501 3.256 ( -0.167 -1.346 0.917) 1.637 3.327 ( -0.589 -1.594 1.401) 2.202 3.411 ( -0.472 -5.992 -0.560) 6.037 3.453 ( 0.464 -0.656 -0.897) 1.204 3.502 ( 0.929 -2.076 -0.893) 2.444 3.597 ( 0.776 2.495 -1.480) 3.003 ======================= Grid point 208 (91/199) ======================= q-point: (-0.25 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 2.235 -6.581 0.879) 7.006 0.737 ( -0.043 -1.321 0.104) 1.326 0.834 ( -0.305 -4.820 0.320) 4.840 0.918 ( -1.403 -6.211 3.882) 7.457 1.118 ( 0.797 1.456 1.127) 2.006 1.136 ( -2.538 2.633 1.190) 3.846 1.293 ( 0.667 -4.295 -1.320) 4.543 1.339 ( 0.051 -2.086 0.409) 2.127 1.411 ( 1.507 -3.176 -0.904) 3.630 1.476 ( 0.312 -0.813 1.685) 1.897 1.562 ( -0.483 0.288 -2.060) 2.135 1.611 ( -0.346 0.762 -0.184) 0.857 2.338 ( -0.122 7.360 0.260) 7.366 2.389 ( 0.243 8.139 -0.876) 8.190 2.807 ( -0.399 2.039 0.596) 2.161 2.839 ( -0.266 3.675 0.084) 3.685 2.934 ( -0.162 1.115 -0.308) 1.168 2.952 ( 0.068 1.392 0.219) 1.411 3.272 ( 0.020 -0.592 0.906) 1.083 3.320 ( -0.490 0.959 0.903) 1.406 3.450 ( -0.827 -0.088 0.104) 0.838 3.482 ( 0.156 -0.817 0.262) 0.872 3.575 ( 1.401 -3.876 -1.804) 4.499 3.606 ( 1.349 -2.205 -1.725) 3.107 ======================= Grid point 209 (92/199) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.190 -1.091 -0.559) 1.240 0.855 ( 0.778 -5.064 0.751) 5.178 0.884 ( -1.230 -0.590 1.896) 2.336 0.988 ( -0.700 -0.174 -0.049) 0.723 1.092 ( -2.419 1.527 1.787) 3.373 1.120 ( -0.109 -2.856 2.789) 3.994 1.299 ( 2.529 3.471 0.911) 4.390 1.394 ( -0.717 -3.105 -1.128) 3.380 1.470 ( -0.079 -2.305 0.358) 2.334 1.496 ( -0.426 0.426 -0.565) 0.826 1.550 ( 0.218 -0.335 -0.671) 0.781 1.595 ( 0.229 0.771 -0.404) 0.900 2.267 ( 0.263 -0.333 0.159) 0.453 2.288 ( 0.391 1.217 -0.794) 1.505 2.778 ( -0.777 0.715 0.207) 1.076 2.800 ( -0.029 0.653 0.209) 0.686 2.928 ( 0.026 0.936 -0.046) 0.938 2.933 ( 0.324 -0.638 0.009) 0.716 3.287 ( -0.114 -0.704 0.880) 1.133 3.304 ( -0.438 0.436 0.796) 1.008 3.441 ( 0.127 0.717 0.729) 1.031 3.489 ( -0.154 -0.122 0.054) 0.204 3.620 ( 0.457 -1.025 -2.626) 2.856 3.664 ( 0.569 -2.697 -1.317) 3.055 ======================= Grid point 210 (93/199) ======================= q-point: (-0.08 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.760 1.559 -0.335) 1.767 0.859 ( -2.021 1.989 2.871) 4.036 0.907 ( -1.974 -0.362 0.406) 2.048 0.990 ( 1.445 -0.752 -0.505) 1.705 1.035 ( -2.801 3.353 1.623) 4.661 1.186 ( -1.597 -2.456 2.312) 3.732 1.233 ( 2.111 4.130 1.096) 4.766 1.412 ( -2.020 1.151 -1.488) 2.761 1.436 ( -1.640 3.286 -1.818) 4.098 1.499 ( -0.498 -0.509 0.416) 0.825 1.566 ( 1.300 -0.253 0.280) 1.354 1.595 ( 1.187 -0.565 0.306) 1.350 2.337 ( -0.239 -6.649 0.088) 6.654 2.360 ( 1.359 -6.967 -0.480) 7.114 2.785 ( -0.207 -1.803 0.325) 1.844 2.810 ( 0.368 -2.089 -0.022) 2.121 2.927 ( 0.260 -0.916 -0.171) 0.968 2.951 ( 0.316 -0.855 0.344) 0.974 3.285 ( -0.616 0.488 0.612) 0.996 3.319 ( -0.232 -1.639 0.937) 1.902 3.426 ( 0.584 1.307 1.048) 1.775 3.489 ( -0.148 -0.074 -0.115) 0.202 3.618 ( -0.691 0.632 -2.668) 2.828 3.692 ( -0.966 -0.422 -1.744) 2.038 ======================= Grid point 216 (94/199) ======================= q-point: ( 0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 3.275 0.000 0.984) 3.419 0.549 ( -3.745 -0.000 8.480) 9.270 0.605 ( 1.758 0.000 0.629) 1.868 0.707 ( 1.063 0.000 0.793) 1.326 0.765 ( 3.798 0.000 -0.940) 3.912 0.773 ( -2.621 -0.000 2.796) 3.832 0.912 ( 1.719 0.000 0.785) 1.890 0.946 ( -2.212 -0.000 -0.002) 2.212 1.274 ( 0.108 0.000 -1.467) 1.471 1.416 ( 1.118 0.000 -2.667) 2.891 1.464 ( 1.657 0.000 -5.743) 5.978 1.658 ( -0.307 -0.000 4.081) 4.093 2.277 ( 1.149 0.000 -0.148) 1.158 2.318 ( 1.591 0.000 0.445) 1.652 2.719 ( -0.812 -0.000 0.044) 0.813 2.765 ( 0.469 0.000 -0.008) 0.469 3.035 ( -0.677 -0.000 0.278) 0.732 3.039 ( -0.475 -0.000 -0.066) 0.480 3.269 ( 0.747 0.000 -1.101) 1.331 3.398 ( -0.841 -0.000 2.231) 2.384 3.438 ( -0.026 -0.000 0.048) 0.055 3.859 ( 1.314 0.000 -1.275) 1.831 3.936 ( -0.196 -0.000 -3.160) 3.166 4.104 ( 2.438 0.000 1.014) 2.641 ======================= Grid point 217 (95/199) ======================= q-point: (-0.50 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 2.155 -0.530 1.669) 2.776 0.546 ( -3.232 -1.020 7.736) 8.445 0.656 ( 3.020 2.019 -0.285) 3.644 0.717 ( -2.790 -5.628 0.342) 6.291 0.792 ( -1.751 -2.926 2.838) 4.436 0.885 ( 2.196 -5.536 0.276) 5.962 0.910 ( -0.631 -4.238 0.357) 4.300 1.060 ( -0.373 -10.082 -0.174) 10.090 1.276 ( 0.157 -0.530 -1.335) 1.446 1.418 ( 1.379 -0.142 -2.808) 3.132 1.443 ( 1.366 1.812 -5.018) 5.507 1.658 ( -0.394 0.615 3.859) 3.928 2.415 ( 0.488 -11.592 -0.874) 11.635 2.465 ( 0.016 -12.731 1.160) 12.784 2.724 ( -0.394 -1.452 0.251) 1.526 2.770 ( 0.299 -0.659 -0.306) 0.786 3.016 ( -0.350 1.531 0.324) 1.604 3.026 ( -0.147 1.026 0.186) 1.053 3.268 ( 0.685 0.293 -1.131) 1.354 3.378 ( -1.021 1.959 2.245) 3.150 3.441 ( -0.046 -0.294 0.044) 0.301 3.803 ( 1.451 6.336 -1.512) 6.674 3.857 ( -0.658 7.215 -2.611) 7.701 4.048 ( 1.362 6.963 0.647) 7.125 ======================= Grid point 218 (96/199) ======================= q-point: (-0.42 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 1.403 -2.851 2.312) 3.930 0.587 ( -1.439 -2.146 5.347) 5.939 0.592 ( -3.011 1.997 1.732) 4.007 0.773 ( -0.271 -0.164 -0.275) 0.420 0.880 ( -0.259 -6.347 1.826) 6.610 0.974 ( -0.860 -6.421 0.414) 6.492 1.075 ( 0.554 -7.944 0.376) 7.972 1.270 ( 0.068 -10.478 -0.258) 10.481 1.291 ( -0.130 -0.975 -0.562) 1.133 1.397 ( 1.337 2.470 -4.450) 5.262 1.434 ( 1.345 -1.356 -2.479) 3.129 1.646 ( -1.038 0.852 3.205) 3.474 2.585 ( 0.616 -3.213 -1.070) 3.443 2.639 ( -0.645 -1.853 1.091) 2.245 2.837 ( -0.307 -9.636 0.024) 9.641 2.847 ( 0.938 -7.379 -0.064) 7.439 3.002 ( 0.043 -1.858 0.429) 1.907 3.025 ( -0.201 -3.040 0.757) 3.139 3.258 ( 0.884 1.399 -1.027) 1.948 3.322 ( -1.299 3.214 2.142) 4.075 3.448 ( 0.104 -0.195 0.079) 0.235 3.630 ( 1.190 12.397 -3.055) 12.824 3.671 ( -0.759 9.946 -0.400) 9.983 3.880 ( 0.448 10.189 -0.274) 10.202 ======================= Grid point 219 (97/199) ======================= q-point: (-0.33 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 1.243 -0.941 -0.371) 1.602 0.578 ( 0.471 -5.117 2.019) 5.521 0.664 ( -4.296 -4.796 6.435) 9.103 0.772 ( 2.111 0.042 -0.018) 2.112 1.019 ( -0.423 -7.799 0.932) 7.866 1.074 ( -0.477 -3.815 0.786) 3.925 1.192 ( 0.219 -3.657 0.072) 3.664 1.293 ( -0.639 0.363 -0.679) 1.001 1.353 ( 2.297 1.305 -3.195) 4.146 1.419 ( -0.139 -4.019 0.128) 4.023 1.494 ( 0.782 -4.350 -1.825) 4.782 1.629 ( -1.564 0.544 1.922) 2.536 2.580 ( -0.281 2.492 -0.565) 2.570 2.616 ( 0.296 2.834 0.400) 2.878 2.903 ( -0.324 0.521 0.076) 0.618 2.918 ( 0.307 -0.586 0.391) 0.768 3.109 ( -0.653 2.034 1.494) 2.607 3.168 ( 0.934 -7.011 0.433) 7.086 3.226 ( -0.438 -4.769 0.901) 4.873 3.299 ( 0.384 0.486 -1.391) 1.523 3.331 ( -0.069 11.775 -0.197) 11.777 3.481 ( 0.683 -0.144 -0.645) 0.950 3.508 ( 0.581 5.926 -1.012) 6.039 3.701 ( 0.443 7.834 -1.002) 7.910 ======================= Grid point 220 (98/199) ======================= q-point: (-0.25 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 3.309 -5.608 0.345) 6.521 0.697 ( 0.284 -4.819 1.937) 5.201 0.741 ( 1.032 -4.274 0.866) 4.481 0.813 ( 0.156 -3.742 3.452) 5.094 1.117 ( -0.966 -1.543 0.762) 1.973 1.168 ( -0.218 -6.224 0.236) 6.233 1.190 ( -1.539 1.769 1.122) 2.600 1.306 ( 0.852 -1.696 -1.904) 2.688 1.367 ( 2.639 -1.836 -1.275) 3.458 1.466 ( 0.084 -1.380 0.926) 1.664 1.553 ( 0.328 -1.229 -1.426) 1.912 1.616 ( -1.256 0.234 0.382) 1.334 2.487 ( -0.873 6.940 -0.096) 6.995 2.539 ( 0.450 6.077 -0.152) 6.096 2.863 ( -0.904 3.314 0.689) 3.503 2.914 ( 0.086 1.961 0.244) 1.978 2.988 ( -0.128 4.732 0.396) 4.750 3.030 ( -1.070 10.485 -0.764) 10.567 3.258 ( -0.011 -1.466 1.009) 1.780 3.328 ( -0.042 -1.062 1.289) 1.671 3.402 ( -0.662 -4.524 -0.707) 4.627 3.459 ( 1.136 -1.338 -0.658) 1.874 3.519 ( 2.304 -2.284 -0.825) 3.348 3.605 ( 1.582 2.113 -1.535) 3.054 ======================= Grid point 221 (99/199) ======================= q-point: (-0.17 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.706 -2.141 -0.090) 2.257 0.768 ( 3.433 -4.769 1.081) 5.974 0.836 ( 0.381 -3.649 0.693) 3.734 0.923 ( 0.082 -5.669 3.204) 6.512 1.105 ( -3.084 1.980 0.961) 3.789 1.134 ( 0.901 1.443 1.342) 2.167 1.293 ( -0.198 -5.225 -0.619) 5.265 1.346 ( 1.008 -1.603 0.368) 1.929 1.425 ( 1.637 -2.544 -0.994) 3.184 1.489 ( 0.616 -0.838 1.738) 2.025 1.549 ( -0.392 0.675 -2.092) 2.233 1.605 ( -0.510 0.434 -0.414) 0.787 2.337 ( -0.235 6.833 0.214) 6.840 2.388 ( 0.027 8.293 -0.842) 8.336 2.801 ( -0.896 2.236 0.541) 2.469 2.833 ( -0.754 3.365 -0.023) 3.449 2.934 ( 0.162 0.837 -0.120) 0.861 2.952 ( -0.178 1.386 0.117) 1.402 3.277 ( 0.168 -0.578 0.961) 1.134 3.318 ( -0.485 1.083 0.869) 1.471 3.439 ( -1.001 -1.029 -0.036) 1.436 3.485 ( 0.257 -0.311 0.211) 0.456 3.589 ( 2.083 -2.885 -1.444) 3.840 3.620 ( 2.158 -1.724 -1.896) 3.350 ======================= Grid point 222 (100/199) ======================= q-point: (-0.08 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.404 -0.425 -0.385) 0.702 0.866 ( 0.386 -2.655 0.450) 2.720 0.877 ( -0.968 -0.788 2.137) 2.475 0.985 ( 0.243 -0.566 0.065) 0.620 1.067 ( -2.880 1.003 2.602) 4.009 1.132 ( 0.267 -1.154 2.212) 2.509 1.334 ( 2.787 3.222 0.766) 4.328 1.375 ( -1.857 -3.153 -1.035) 3.802 1.469 ( -0.062 -0.852 -0.088) 0.858 1.487 ( -0.585 1.392 -0.775) 1.698 1.554 ( 0.631 -1.764 -0.008) 1.874 1.594 ( -0.023 0.252 -0.735) 0.777 2.268 ( -0.215 0.090 -0.067) 0.242 2.292 ( 0.764 0.373 -0.680) 1.089 2.771 ( -0.588 0.359 0.335) 0.766 2.798 ( -0.287 0.473 -0.047) 0.555 2.930 ( 0.127 0.823 0.044) 0.834 2.937 ( 0.346 -0.729 0.117) 0.815 3.289 ( -0.150 -0.107 0.903) 0.922 3.302 ( -0.402 0.001 0.821) 0.914 3.444 ( -0.089 0.117 0.558) 0.577 3.489 ( 0.007 -0.026 0.170) 0.172 3.619 ( 0.951 0.002 -2.384) 2.567 3.663 ( 0.173 -1.734 -1.518) 2.311 ======================= Grid point 229 (101/199) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 1.647 0.000 2.107) 2.674 0.532 ( -4.378 -0.000 7.608) 8.778 0.613 ( -0.667 -0.000 0.425) 0.791 0.704 ( -1.199 -0.000 0.153) 1.209 0.765 ( -1.151 -0.000 2.997) 3.211 0.789 ( 0.631 0.000 -0.985) 1.170 0.925 ( -0.122 -0.000 0.697) 0.707 0.930 ( -0.286 -0.000 -0.001) 0.286 1.269 ( 0.148 0.000 -1.710) 1.716 1.420 ( 1.329 0.000 -2.480) 2.814 1.460 ( 1.271 0.000 -5.294) 5.444 1.672 ( -0.062 -0.000 3.954) 3.954 2.283 ( 0.028 0.000 -0.101) 0.105 2.330 ( 0.028 0.000 0.463) 0.463 2.713 ( -0.166 -0.000 -0.026) 0.168 2.769 ( 0.128 0.000 0.072) 0.147 3.031 ( -0.248 -0.000 0.214) 0.327 3.040 ( 0.553 0.000 0.235) 0.601 3.271 ( 0.431 0.000 -1.082) 1.165 3.395 ( -1.049 -0.000 2.161) 2.402 3.438 ( -0.009 -0.000 0.050) 0.051 3.868 ( 0.845 0.000 -0.771) 1.143 3.919 ( -0.473 -0.000 -3.754) 3.783 4.125 ( 0.447 0.000 1.026) 1.119 ======================= Grid point 230 (102/199) ======================= q-point: (-0.42 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.459 -0.551 3.154) 3.235 0.527 ( -4.713 -1.200 6.716) 8.292 0.649 ( -4.463 2.357 -0.777) 5.106 0.708 ( 1.732 -6.155 -0.160) 6.396 0.789 ( -0.649 -2.971 3.228) 4.435 0.895 ( -1.809 -3.367 0.668) 3.880 0.903 ( 0.509 -6.445 0.044) 6.465 1.060 ( 0.584 -10.147 -0.153) 10.165 1.271 ( -0.104 -0.487 -1.577) 1.653 1.425 ( 1.607 -0.204 -2.599) 3.062 1.439 ( 0.979 1.724 -4.678) 5.081 1.668 ( -0.367 1.008 3.746) 3.897 2.417 ( 0.361 -11.756 -0.849) 11.793 2.467 ( -0.337 -12.616 1.227) 12.680 2.722 ( -0.047 -1.465 0.192) 1.479 2.773 ( 0.268 -0.808 -0.241) 0.884 3.016 ( 0.174 1.332 0.267) 1.370 3.030 ( 0.656 1.294 0.346) 1.491 3.270 ( 0.456 0.156 -1.164) 1.260 3.373 ( -1.176 2.017 2.228) 3.228 3.442 ( 0.050 -0.320 0.047) 0.327 3.812 ( 1.021 6.112 -1.074) 6.289 3.836 ( -1.041 7.306 -3.118) 8.012 4.055 ( -0.498 7.106 0.631) 7.151 ======================= Grid point 231 (103/199) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.954 -3.095 2.897) 4.345 0.547 ( -5.935 -1.277 3.839) 7.183 0.578 ( -2.822 -0.309 2.325) 3.669 0.790 ( 2.983 -0.558 -0.230) 3.043 0.882 ( -0.631 -6.073 2.090) 6.454 0.968 ( -0.439 -6.668 0.318) 6.690 1.082 ( 0.385 -8.344 0.511) 8.368 1.263 ( -1.279 -6.318 -0.332) 6.455 1.288 ( 0.068 -4.911 -0.572) 4.945 1.396 ( 1.388 2.197 -4.338) 5.057 1.441 ( 1.484 -1.237 -2.366) 3.055 1.646 ( -1.056 1.470 3.211) 3.686 2.591 ( 1.128 -2.712 -1.136) 3.149 2.636 ( -0.520 -2.072 1.150) 2.426 2.829 ( -0.957 -9.442 0.178) 9.492 2.862 ( 1.656 -6.955 -0.288) 7.155 3.010 ( 0.989 -1.627 0.369) 1.939 3.033 ( 1.128 -4.033 0.881) 4.280 3.264 ( 0.819 1.144 -1.142) 1.812 3.315 ( -1.298 3.299 2.225) 4.186 3.451 ( 0.421 -0.425 0.075) 0.603 3.620 ( -0.793 13.011 -3.122) 13.404 3.667 ( 0.286 9.158 -0.324) 9.168 3.878 ( -0.598 10.063 -0.307) 10.085 ======================= Grid point 232 (104/199) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.958 -3.054 0.042) 3.201 0.602 ( 2.097 -5.420 2.067) 6.168 0.642 ( -2.794 -5.620 5.281) 8.202 0.807 ( 3.386 0.248 0.379) 3.417 1.007 ( -1.934 -7.021 0.641) 7.310 1.086 ( 1.684 -4.666 0.853) 5.034 1.190 ( -0.898 -2.004 0.601) 2.276 1.280 ( -0.708 -1.127 -0.840) 1.574 1.369 ( 2.275 0.568 -2.748) 3.612 1.418 ( 0.149 -4.053 -0.310) 4.067 1.497 ( 0.877 -4.160 -1.632) 4.553 1.618 ( -1.610 0.987 2.090) 2.817 2.574 ( -0.324 3.041 -0.633) 3.123 2.621 ( 0.226 2.642 0.510) 2.700 2.898 ( -0.561 0.980 0.082) 1.132 2.918 ( -0.579 -0.887 0.134) 1.068 3.107 ( -0.460 0.996 1.202) 1.627 3.184 ( 1.150 -2.776 0.619) 3.068 3.228 ( 0.157 -2.384 0.603) 2.464 3.301 ( 0.726 -0.979 -0.936) 1.537 3.330 ( 0.365 9.056 -0.179) 9.065 3.489 ( 1.159 -0.953 -0.630) 1.627 3.513 ( 0.937 5.583 -1.062) 5.760 3.702 ( 0.487 7.319 -1.069) 7.413 ======================= Grid point 233 (105/199) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.418 -5.704 0.394) 6.208 0.709 ( 0.997 -4.548 1.623) 4.930 0.783 ( 4.908 -5.640 1.537) 7.633 0.831 ( 0.925 -2.400 2.605) 3.661 1.095 ( -3.029 -2.440 -0.609) 3.937 1.168 ( -0.628 1.241 1.303) 1.906 1.187 ( 0.503 -4.652 1.537) 4.925 1.314 ( 1.627 -1.957 -1.421) 2.915 1.394 ( 2.851 -1.633 -1.274) 3.524 1.468 ( -0.191 -1.852 0.509) 1.930 1.554 ( 0.572 -0.763 -1.018) 1.395 1.601 ( -1.464 -0.011 0.434) 1.527 2.477 ( -0.800 6.759 -0.207) 6.809 2.541 ( -0.138 6.393 -0.009) 6.394 2.855 ( -0.834 3.136 0.816) 3.346 2.906 ( -1.252 2.372 -0.405) 2.713 2.986 ( -0.332 5.488 0.149) 5.500 3.017 ( -0.803 8.784 -0.278) 8.825 3.262 ( -0.013 -1.581 1.075) 1.912 3.335 ( 0.421 -0.121 1.181) 1.259 3.391 ( -0.682 -3.101 -0.713) 3.254 3.473 ( 1.565 -1.162 -0.279) 1.969 3.544 ( 2.649 -2.703 -0.919) 3.895 3.623 ( 2.638 1.357 -1.824) 3.483 ======================= Grid point 234 (106/199) ======================= q-point: (-0.08 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.287 -1.836 -0.096) 2.245 0.809 ( 3.033 -4.335 0.637) 5.329 0.847 ( 0.509 -1.925 2.035) 2.847 0.945 ( 2.027 -4.294 1.989) 5.148 1.073 ( -3.023 1.191 0.869) 3.364 1.150 ( 0.879 1.096 1.392) 1.977 1.283 ( -1.331 -4.645 0.381) 4.847 1.365 ( 2.177 -1.687 0.021) 2.754 1.440 ( 1.749 -1.790 -1.207) 2.778 1.501 ( 0.461 -1.361 1.601) 2.151 1.538 ( -0.204 1.417 -1.735) 2.250 1.596 ( -0.787 0.114 -0.587) 0.989 2.334 ( -0.334 6.439 0.111) 6.448 2.383 ( -0.295 8.143 -0.738) 8.181 2.792 ( -0.927 2.421 0.385) 2.621 2.823 ( -0.787 2.744 -0.050) 2.855 2.936 ( 0.211 0.638 0.070) 0.676 2.949 ( -0.444 1.191 0.010) 1.271 3.283 ( 0.175 -0.624 0.971) 1.168 3.316 ( -0.383 1.377 0.845) 1.660 3.427 ( -0.969 -1.533 -0.090) 1.815 3.489 ( 0.222 -0.076 0.218) 0.320 3.611 ( 2.478 -2.006 -0.986) 3.337 3.639 ( 2.487 -0.717 -2.341) 3.490 ======================= Grid point 242 (107/199) ======================= q-point: (-0.42 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -1.510 -0.000 5.164) 5.380 0.504 ( -4.421 -0.000 4.830) 6.548 0.593 ( -3.113 -0.000 0.315) 3.129 0.683 ( -2.696 -0.000 -0.596) 2.761 0.770 ( 0.208 0.000 3.758) 3.764 0.771 ( -2.668 -0.000 -0.744) 2.769 0.916 ( -1.593 -0.000 0.700) 1.740 0.941 ( 1.998 0.000 -0.098) 2.001 1.265 ( 0.352 0.000 -1.847) 1.880 1.428 ( 1.684 0.000 -2.351) 2.892 1.453 ( 0.786 0.000 -4.778) 4.843 1.685 ( -0.160 -0.000 3.732) 3.736 2.277 ( -1.066 -0.000 -0.126) 1.074 2.322 ( -1.556 -0.000 0.505) 1.636 2.715 ( 0.488 0.000 -0.048) 0.490 2.768 ( -0.295 -0.000 0.063) 0.301 3.032 ( 0.311 0.000 0.036) 0.313 3.052 ( 1.142 0.000 0.391) 1.207 3.271 ( 0.202 0.000 -1.164) 1.181 3.390 ( -1.203 -0.000 2.162) 2.474 3.439 ( 0.007 0.000 0.051) 0.052 3.874 ( 0.456 0.000 -0.190) 0.494 3.897 ( -0.730 -0.000 -4.288) 4.350 4.122 ( -1.618 -0.000 0.883) 1.843 ======================= Grid point 243 (108/199) ======================= q-point: (-0.33 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -4.399 -1.335 7.775) 9.032 0.492 ( -3.508 -0.427 1.625) 3.890 0.580 ( -6.234 1.136 -0.209) 6.340 0.726 ( 0.772 -7.132 0.165) 7.175 0.801 ( 0.598 -2.515 3.075) 4.018 0.876 ( -1.919 -6.999 0.890) 7.312 0.898 ( -1.317 -3.893 0.095) 4.111 1.072 ( 1.415 -9.758 -0.228) 9.863 1.262 ( -0.369 0.026 -1.572) 1.615 1.431 ( 0.690 1.569 -4.506) 4.821 1.436 ( 1.772 -0.205 -2.341) 2.943 1.677 ( -0.449 1.328 3.573) 3.838 2.416 ( -0.065 -12.456 -0.877) 12.487 2.470 ( 0.380 -13.811 1.259) 13.873 2.725 ( 0.299 -1.040 0.203) 1.101 2.774 ( 0.197 -1.521 -0.367) 1.577 3.021 ( 0.697 1.076 0.152) 1.291 3.042 ( 1.055 1.544 0.361) 1.905 3.270 ( 0.337 -0.034 -1.269) 1.314 3.368 ( -1.261 2.027 2.261) 3.289 3.443 ( 0.107 -0.418 0.027) 0.433 3.810 ( -1.388 7.495 -3.580) 8.421 3.819 ( 0.700 5.910 -0.479) 5.971 4.041 ( -2.225 6.936 0.433) 7.297 ======================= Grid point 244 (109/199) ======================= q-point: (-0.25 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -5.513 -2.846 1.751) 6.446 0.518 ( -2.228 -4.869 5.649) 7.784 0.561 ( -0.534 -1.773 1.396) 2.319 0.828 ( 3.372 -0.922 0.145) 3.499 0.880 ( -0.894 -5.082 1.852) 5.482 0.966 ( -0.308 -8.066 0.450) 8.084 1.088 ( 0.123 -9.423 0.791) 9.457 1.239 ( -2.584 -2.354 -0.298) 3.508 1.288 ( 0.495 -7.653 -0.853) 7.717 1.397 ( 1.416 1.435 -4.052) 4.526 1.450 ( 1.420 -0.986 -2.300) 2.877 1.646 ( -0.915 2.000 3.212) 3.893 2.602 ( 1.393 -2.053 -1.234) 2.771 2.635 ( -0.396 -2.022 1.234) 2.401 2.817 ( -1.249 -9.027 0.289) 9.118 2.881 ( 1.978 -5.043 -0.821) 5.479 3.024 ( 1.217 -1.401 0.151) 1.862 3.062 ( 3.526 -6.716 1.138) 7.670 3.269 ( 0.744 0.945 -1.209) 1.705 3.309 ( -1.196 3.167 2.266) 4.073 3.458 ( 0.640 -0.910 -0.045) 1.113 3.593 ( -1.889 12.929 -2.846) 13.373 3.671 ( 0.651 9.119 -0.378) 9.150 3.865 ( -1.395 9.330 -0.484) 9.446 ======================= Grid point 245 (110/199) ======================= q-point: (-0.17 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -1.023 -5.677 2.357) 6.231 0.630 ( 2.022 -4.379 1.198) 4.970 0.657 ( 2.366 -8.723 3.438) 9.670 0.846 ( 2.820 0.511 0.676) 2.945 0.985 ( -1.905 -5.896 0.112) 6.197 1.110 ( 1.694 -5.631 0.860) 5.943 1.177 ( -1.725 -0.122 1.194) 2.101 1.276 ( 0.507 -3.481 -0.757) 3.598 1.380 ( 0.926 -1.340 -2.167) 2.711 1.421 ( 0.968 -2.943 -1.179) 3.315 1.500 ( 0.524 -4.124 -1.401) 4.387 1.610 ( -1.251 1.558 2.389) 3.115 2.570 ( -0.004 3.642 -0.668) 3.703 2.623 ( -0.282 2.663 0.592) 2.743 2.891 ( -0.741 0.960 -0.156) 1.222 2.908 ( -1.017 -0.613 0.028) 1.188 3.108 ( -0.113 1.780 0.968) 2.030 3.195 ( 0.381 0.009 0.536) 0.658 3.231 ( -0.179 3.139 0.327) 3.161 3.306 ( 0.558 -1.611 -0.381) 1.747 3.344 ( 2.270 2.961 0.044) 3.732 3.502 ( 1.435 -1.997 -0.724) 2.564 3.522 ( 1.262 5.188 -1.131) 5.457 3.705 ( 0.771 6.222 -1.289) 6.401 ======================= Grid point 246 (111/199) ======================= q-point: (-0.08 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.256 -5.923 2.226) 6.333 0.742 ( 4.119 -4.891 0.109) 6.396 0.847 ( 3.015 -0.066 1.207) 3.249 0.854 ( 3.219 -7.117 2.376) 8.165 1.052 ( -3.596 -2.030 -0.793) 4.205 1.161 ( -1.343 -0.510 1.429) 2.026 1.208 ( 1.787 -3.000 1.355) 3.746 1.333 ( 2.431 -2.398 -0.830) 3.514 1.421 ( 2.673 -1.603 -1.501) 3.459 1.465 ( -0.472 -2.236 0.134) 2.289 1.556 ( 0.266 -0.695 -0.656) 0.992 1.586 ( -1.545 0.183 0.787) 1.744 2.469 ( -0.449 6.714 -0.222) 6.733 2.535 ( -0.818 6.666 0.043) 6.716 2.850 ( -0.697 3.073 0.743) 3.237 2.886 ( -1.664 2.707 -0.644) 3.242 2.982 ( -0.335 5.588 -0.149) 5.600 3.009 ( -0.618 7.555 0.175) 7.582 3.266 ( -0.063 -1.672 1.131) 2.019 3.346 ( 0.632 0.563 1.046) 1.345 3.381 ( -0.612 -1.953 -0.597) 2.132 3.489 ( 1.256 -0.158 -0.060) 1.267 3.571 ( 2.574 -3.308 -0.941) 4.296 3.651 ( 3.420 0.734 -2.277) 4.174 ======================= Grid point 255 (112/199) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -8.527 -0.000 9.291) 12.611 0.489 ( -0.175 -0.000 0.319) 0.364 0.540 ( -6.475 -0.000 0.257) 6.480 0.632 ( -6.457 -0.000 1.221) 6.571 0.734 ( -3.060 -0.000 -0.352) 3.080 0.799 ( 2.120 0.000 3.282) 3.907 0.903 ( -0.682 -0.000 0.822) 1.068 0.968 ( 2.558 0.000 -0.145) 2.562 1.262 ( 0.101 0.000 -1.755) 1.758 1.440 ( 1.659 0.000 -2.974) 3.406 1.443 ( 0.728 0.000 -3.724) 3.794 1.696 ( -0.341 -0.000 3.557) 3.574 2.259 ( -1.834 -0.000 -0.210) 1.846 2.300 ( -2.535 -0.000 0.545) 2.593 2.722 ( 0.769 0.000 -0.010) 0.769 2.763 ( -0.670 -0.000 -0.019) 0.670 3.038 ( 0.808 0.000 -0.139) 0.820 3.067 ( 1.226 0.000 0.323) 1.267 3.268 ( 0.158 0.000 -1.328) 1.337 3.384 ( -1.284 -0.000 2.256) 2.596 3.439 ( 0.023 0.000 0.052) 0.056 3.868 ( -1.296 -0.000 -3.340) 3.583 3.880 ( 0.591 0.000 -1.015) 1.174 4.095 ( -3.398 -0.000 0.520) 3.438 ======================= Grid point 256 (113/199) ======================= q-point: (-0.25 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -8.657 -1.421 5.948) 10.599 0.450 ( -6.134 -0.084 3.079) 6.864 0.531 ( -1.895 -1.184 0.679) 2.336 0.716 ( -3.091 -10.384 0.873) 10.870 0.823 ( 0.776 -1.328 3.028) 3.396 0.856 ( -2.106 -11.535 0.732) 11.748 0.888 ( 0.600 -0.272 0.245) 0.703 1.089 ( 1.652 -8.907 -0.304) 9.064 1.250 ( -0.836 0.594 -1.299) 1.655 1.421 ( 0.476 1.247 -4.237) 4.442 1.448 ( 1.862 -0.006 -2.466) 3.090 1.684 ( -0.593 1.539 3.402) 3.780 2.407 ( -1.026 -13.228 -0.554) 13.279 2.494 ( 3.475 -16.028 0.689) 16.415 2.730 ( 0.401 -0.502 0.238) 0.685 2.776 ( 0.545 -3.044 -0.691) 3.169 3.032 ( 1.111 0.760 0.081) 1.349 3.056 ( 1.195 1.538 0.339) 1.977 3.269 ( 0.380 -0.243 -1.430) 1.499 3.362 ( -1.279 2.011 2.355) 3.351 3.444 ( 0.123 -0.537 -0.020) 0.551 3.778 ( -1.814 7.642 -3.797) 8.724 3.825 ( 0.588 5.872 -0.073) 5.902 4.009 ( -3.538 6.443 0.036) 7.351 ======================= Grid point 257 (114/199) ======================= q-point: (-0.17 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -4.273 -5.738 2.962) 7.743 0.506 ( -2.721 -7.046 5.451) 9.314 0.573 ( 1.416 -3.303 0.450) 3.622 0.853 ( -0.623 -1.337 2.185) 2.636 0.885 ( 1.840 -4.786 -0.308) 5.137 0.964 ( -0.242 -9.075 0.790) 9.112 1.091 ( -0.177 -11.041 1.076) 11.095 1.203 ( -3.391 -0.782 -0.125) 3.482 1.292 ( 0.910 -7.249 -1.235) 7.410 1.398 ( 1.377 0.410 -3.690) 3.960 1.456 ( 1.084 -0.630 -2.368) 2.680 1.648 ( -0.817 2.247 3.082) 3.901 2.611 ( 0.769 -2.481 -1.158) 2.844 2.638 ( 0.243 -0.636 1.163) 1.348 2.803 ( -1.359 -8.229 0.381) 8.349 2.901 ( 2.154 -2.212 -1.343) 3.367 3.038 ( 1.278 -1.572 0.102) 2.028 3.124 ( 6.426 -9.104 0.847) 11.175 3.272 ( 0.672 1.063 -1.031) 1.626 3.305 ( -0.882 2.555 2.169) 3.465 3.464 ( 0.605 -1.572 -0.368) 1.724 3.558 ( -2.285 12.745 -2.577) 13.202 3.677 ( 0.583 9.078 -0.310) 9.102 3.844 ( -1.782 8.089 -0.806) 8.322 ======================= Grid point 258 (115/199) ======================= q-point: (-0.08 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -1.714 -6.935 4.163) 8.268 0.667 ( 3.890 -5.695 -0.098) 6.897 0.700 ( 2.692 -10.264 2.578) 10.920 0.870 ( 0.526 -0.166 1.187) 1.309 0.971 ( -0.167 -3.830 -0.398) 3.854 1.123 ( -0.504 -4.499 1.043) 4.646 1.166 ( -0.384 -1.765 0.930) 2.031 1.284 ( 1.138 -5.411 -0.084) 5.530 1.375 ( -0.330 -2.984 -2.033) 3.625 1.430 ( 1.405 -1.643 -1.886) 2.869 1.498 ( 0.052 -4.011 -1.181) 4.182 1.608 ( -0.727 1.961 2.526) 3.280 2.569 ( 0.355 4.122 -0.683) 4.193 2.619 ( -0.726 2.913 0.636) 3.068 2.879 ( -1.075 0.025 -0.546) 1.206 2.899 ( -0.551 0.655 0.314) 0.912 3.112 ( 0.138 3.473 0.799) 3.567 3.199 ( 0.142 0.647 0.423) 0.786 3.224 ( -1.166 7.175 0.510) 7.287 3.310 ( 0.414 -1.313 -0.439) 1.444 3.379 ( 3.202 -0.498 0.406) 3.266 3.515 ( 1.431 -3.104 -0.944) 3.545 3.533 ( 1.421 4.888 -1.084) 5.204 3.711 ( 1.214 4.600 -1.790) 5.083 ======================= Grid point 268 (116/199) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -9.425 -0.000 7.389) 11.976 0.446 ( -9.932 -0.000 0.352) 9.939 0.478 ( -3.990 -0.000 2.200) 4.556 0.557 ( -6.263 -0.000 2.853) 6.882 0.703 ( -2.290 -0.000 -0.089) 2.291 0.827 ( -0.284 -0.000 3.808) 3.819 0.922 ( 4.087 0.000 0.450) 4.112 0.996 ( 2.338 0.000 -0.145) 2.343 1.252 ( -0.740 -0.000 -1.429) 1.609 1.428 ( 0.011 0.000 -4.005) 4.005 1.458 ( 2.386 0.000 -2.523) 3.472 1.705 ( -0.212 -0.000 3.771) 3.777 2.235 ( -2.075 -0.000 -0.332) 2.102 2.271 ( -2.758 -0.000 0.541) 2.811 2.731 ( 0.713 0.000 0.109) 0.721 2.753 ( -0.851 -0.000 -0.113) 0.859 3.049 ( 1.200 0.000 -0.170) 1.212 3.081 ( 0.950 0.000 0.199) 0.971 3.265 ( 0.301 0.000 -1.548) 1.577 3.378 ( -1.244 -0.000 2.411) 2.713 3.439 ( 0.032 0.000 0.051) 0.060 3.836 ( -1.645 -0.000 -4.638) 4.921 3.886 ( 0.586 0.000 0.179) 0.613 4.049 ( -4.673 -0.000 -0.087) 4.674 ======================= Grid point 269 (117/199) ======================= q-point: (-0.17 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -8.145 -2.562 1.709) 8.708 0.392 ( -7.345 -2.953 8.843) 11.869 0.524 ( -0.251 -2.322 -0.052) 2.336 0.664 ( -6.351 -13.606 1.364) 15.077 0.828 ( -1.918 -1.244 3.179) 3.916 0.837 ( -1.643 -11.856 1.099) 12.020 0.923 ( 4.807 0.656 0.091) 4.852 1.104 ( 1.139 -7.551 -0.304) 7.643 1.233 ( -1.381 0.509 -0.871) 1.710 1.411 ( 0.456 0.802 -4.043) 4.147 1.459 ( 1.711 0.424 -2.854) 3.354 1.689 ( -0.795 1.821 3.292) 3.845 2.391 ( -1.384 -14.044 -0.118) 14.113 2.559 ( 7.645 -16.239 -0.769) 17.965 2.735 ( 0.280 -0.112 0.288) 0.417 2.787 ( 2.690 -6.769 -1.619) 7.462 3.047 ( 1.288 0.540 0.084) 1.399 3.073 ( 1.698 0.555 0.599) 1.884 3.268 ( 0.583 -0.459 -1.617) 1.779 3.356 ( -1.208 2.012 2.455) 3.396 3.445 ( 0.088 -0.607 -0.095) 0.621 3.739 ( -2.500 7.742 -4.117) 9.118 3.831 ( 0.428 5.959 0.247) 5.979 3.963 ( -4.150 5.601 -0.474) 6.986 ======================= Grid point 270 (118/199) ======================= q-point: (-0.08 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -2.641 -7.544 4.610) 9.227 0.503 ( -1.060 -9.869 4.564) 10.925 0.589 ( 1.200 -4.562 -0.281) 4.726 0.842 ( -2.283 -1.727 2.509) 3.806 0.902 ( 0.446 -9.283 -0.241) 9.297 0.976 ( 2.157 -5.540 0.794) 5.998 1.090 ( -0.645 -12.688 1.046) 12.748 1.162 ( -3.732 0.218 0.151) 3.741 1.300 ( 1.198 -6.197 -1.397) 6.465 1.400 ( 1.285 -0.541 -3.361) 3.638 1.456 ( 0.637 -0.254 -2.640) 2.727 1.649 ( -0.918 2.183 2.768) 3.642 2.610 ( -0.116 -3.337 -0.755) 3.423 2.649 ( 0.856 0.985 0.805) 1.533 2.790 ( -1.180 -7.315 0.530) 7.429 2.920 ( 2.022 0.377 -1.556) 2.579 3.054 ( 1.263 -2.051 0.228) 2.419 3.207 ( 6.799 -7.052 -0.719) 9.823 3.280 ( 1.485 1.405 -0.095) 2.046 3.308 ( 0.599 0.163 1.646) 1.759 3.464 ( -0.468 -0.989 -1.334) 1.725 3.525 ( -1.820 10.961 -1.788) 11.254 3.682 ( 0.350 8.968 -0.349) 8.982 3.820 ( -1.654 6.607 -1.226) 6.921 ======================= Grid point 281 (119/199) ======================= q-point: (-0.17 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -10.033 -0.000 3.531) 10.636 0.320 ( -12.245 -0.000 0.834) 12.273 0.403 ( -10.581 -0.000 9.410) 14.160 0.535 ( -0.142 -0.000 1.154) 1.163 0.679 ( -1.752 -0.000 -0.196) 1.763 0.822 ( -2.672 -0.000 4.411) 5.158 0.991 ( 6.975 0.000 -0.036) 6.975 1.019 ( 1.773 0.000 -0.144) 1.779 1.232 ( -2.097 -0.000 -1.025) 2.334 1.414 ( 0.022 0.000 -3.792) 3.792 1.477 ( 2.651 0.000 -2.764) 3.829 1.727 ( 1.631 0.000 5.132) 5.385 2.211 ( -1.719 -0.000 -0.452) 1.778 2.243 ( -2.359 -0.000 0.486) 2.409 2.739 ( 0.527 0.000 0.296) 0.604 2.743 ( -0.760 -0.000 -0.173) 0.779 3.064 ( 1.383 0.000 0.005) 1.383 3.091 ( 0.779 0.000 0.314) 0.840 3.264 ( 0.569 0.000 -1.792) 1.880 3.374 ( -1.064 -0.000 2.498) 2.715 3.440 ( 0.027 0.000 0.048) 0.055 3.793 ( -2.821 -0.000 -5.689) 6.350 3.894 ( 0.401 0.000 0.419) 0.580 3.991 ( -5.029 -0.000 -0.560) 5.061 ======================= Grid point 282 (120/199) ======================= q-point: (-0.08 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -4.309 -7.201 2.056) 8.641 0.353 ( -5.366 -4.984 10.304) 12.641 0.509 ( -2.798 -6.551 -0.611) 7.150 0.601 ( -4.390 -13.052 1.646) 13.868 0.812 ( -2.417 -4.134 2.564) 5.432 0.825 ( -1.658 -9.360 2.041) 9.722 0.985 ( 5.605 1.177 0.036) 5.727 1.110 ( -0.201 -5.011 -0.179) 5.019 1.213 ( -1.523 -1.194 -0.491) 1.996 1.402 ( 0.667 0.359 -3.889) 3.962 1.464 ( 1.325 1.003 -3.477) 3.854 1.690 ( -1.126 2.436 3.282) 4.239 2.377 ( -1.048 -14.768 0.286) 14.808 2.641 ( 6.086 -7.661 -2.504) 10.099 2.738 ( 0.131 0.168 0.378) 0.434 2.843 ( 9.646 -13.826 -6.022) 17.902 3.061 ( 1.005 0.824 0.105) 1.304 3.107 ( 4.273 -3.443 0.526) 5.513 3.271 ( 1.005 -0.811 -1.923) 2.317 3.352 ( -1.050 2.037 2.400) 3.318 3.445 ( -0.064 -0.510 -0.198) 0.550 3.687 ( -3.857 7.256 -3.970) 9.126 3.835 ( -0.018 6.130 0.404) 6.143 3.916 ( -3.326 4.567 -0.650) 5.687 ======================= Grid point 294 (121/199) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( -10.072 -0.000 2.612) 10.405 0.181 ( -12.219 -0.000 2.244) 12.423 0.340 ( -7.665 -0.000 14.021) 15.979 0.539 ( 0.082 0.000 -0.184) 0.202 0.660 ( -1.298 -0.000 -0.593) 1.428 0.805 ( -3.121 -0.000 4.982) 5.879 1.034 ( 0.990 0.000 -0.150) 1.002 1.066 ( 5.958 0.000 -1.101) 6.058 1.195 ( -3.930 -0.000 -0.697) 3.991 1.402 ( 0.470 0.000 -3.696) 3.725 1.494 ( 2.010 0.000 -3.649) 4.166 1.797 ( 7.006 0.000 4.754) 8.467 2.194 ( -0.858 -0.000 -0.549) 1.019 2.222 ( -1.521 -0.000 0.418) 1.577 2.735 ( -0.463 -0.000 -0.141) 0.484 2.746 ( 0.359 0.000 0.438) 0.567 3.079 ( 1.176 0.000 0.223) 1.197 3.103 ( 0.877 0.000 0.408) 0.967 3.264 ( 0.640 0.000 -2.269) 2.358 3.371 ( -0.981 -0.000 2.143) 2.357 3.440 ( 0.007 0.000 0.046) 0.046 3.724 ( -4.718 -0.000 -4.353) 6.419 3.897 ( -0.100 -0.000 0.788) 0.794 3.942 ( -2.600 -0.000 0.048) 2.601 ======================= Grid point 295 (122/199) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.494 0.000 2.058) 2.116 0.235 ( 2.752 0.000 3.085) 4.134 0.493 ( -6.469 -0.000 1.695) 6.688 0.518 ( 3.674 0.000 1.298) 3.897 0.627 ( -0.352 -0.000 -0.695) 0.778 0.942 ( -2.654 -0.000 7.644) 8.091 1.038 ( 0.060 0.000 -0.088) 0.107 1.100 ( 1.264 0.000 0.174) 1.276 1.138 ( -0.725 -0.000 -1.571) 1.730 1.305 ( 1.293 0.000 -4.279) 4.470 1.411 ( 0.249 0.000 -2.730) 2.742 1.817 ( -1.485 -0.000 -0.621) 1.610 2.179 ( 0.081 0.000 -0.259) 0.271 2.217 ( -0.173 -0.000 0.116) 0.208 2.731 ( -0.013 -0.000 -0.002) 0.013 2.759 ( 0.084 0.000 0.260) 0.273 3.099 ( -0.277 -0.000 0.438) 0.518 3.102 ( -0.045 -0.000 0.039) 0.060 3.217 ( 0.224 0.000 -1.377) 1.395 3.399 ( -0.224 -0.000 0.932) 0.958 3.441 ( -0.014 -0.000 0.027) 0.030 3.683 ( 1.718 0.000 -1.342) 2.180 3.918 ( 0.213 0.000 0.021) 0.214 3.948 ( 0.484 0.000 0.737) 0.882 ======================= Grid point 296 (123/199) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( -0.359 -7.318 2.031) 7.603 0.445 ( -1.780 -5.803 -0.831) 6.127 0.505 ( 3.273 -7.418 2.958) 8.631 0.580 ( 2.410 -10.594 0.050) 10.864 0.800 ( 0.213 -13.484 0.318) 13.489 0.934 ( -2.927 -0.210 6.534) 7.163 1.054 ( -2.753 -0.944 0.318) 2.928 1.099 ( 1.585 -0.346 0.327) 1.655 1.178 ( 1.035 -4.357 -1.898) 4.864 1.310 ( 1.642 -0.591 -3.728) 4.116 1.384 ( 0.149 1.039 -1.978) 2.239 1.724 ( -1.129 4.115 1.396) 4.489 2.405 ( -0.182 -16.324 2.025) 16.451 2.522 ( -1.515 -20.079 -4.842) 20.710 2.748 ( -0.181 0.835 0.195) 0.876 2.774 ( -0.011 -5.318 -1.622) 5.560 3.083 ( -0.638 1.159 0.341) 1.366 3.107 ( -1.211 -1.701 0.210) 2.098 3.217 ( 0.301 -0.068 -1.209) 1.248 3.384 ( 0.333 1.801 0.896) 2.039 3.445 ( 0.215 -0.445 -0.126) 0.510 3.637 ( 2.474 5.721 -1.804) 6.489 3.863 ( 0.464 7.067 0.133) 7.083 3.883 ( 0.714 5.475 0.085) 5.522 ======================= Grid point 297 (124/199) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -1.458 -8.651 1.070) 8.838 0.533 ( -2.515 -7.272 1.445) 7.829 0.631 ( 3.295 -6.327 -0.215) 7.137 0.873 ( -0.560 -9.520 0.930) 9.582 0.938 ( -0.697 -3.904 3.124) 5.049 1.036 ( -2.230 -5.436 0.662) 5.912 1.100 ( -2.436 -8.924 2.239) 9.518 1.115 ( 4.144 -0.396 -0.096) 4.164 1.277 ( 2.419 -3.689 -4.295) 6.157 1.352 ( -1.013 -4.662 -1.126) 4.902 1.381 ( 0.547 -1.077 -0.888) 1.499 1.673 ( -0.161 1.496 1.087) 1.856 2.588 ( -0.144 -2.071 -0.012) 2.076 2.682 ( -0.264 1.688 0.136) 1.714 2.810 ( -0.023 -6.424 1.081) 6.515 2.896 ( -0.808 -3.807 -1.778) 4.278 3.109 ( -2.098 -7.182 0.569) 7.504 3.189 ( -3.783 -7.884 0.000) 8.745 3.212 ( 0.333 0.902 -0.592) 1.129 3.334 ( 1.082 3.932 0.360) 4.094 3.459 ( 1.634 1.156 -1.641) 2.588 3.505 ( 0.414 6.026 -0.652) 6.075 3.674 ( 0.585 11.384 -0.164) 11.400 3.772 ( 0.991 6.703 -0.398) 6.788 ======================= Grid point 298 (125/199) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -1.179 -6.193 0.909) 6.369 0.680 ( -3.848 -8.726 0.584) 9.555 0.795 ( 0.548 -8.863 -0.036) 8.880 0.919 ( -2.522 -1.043 2.367) 3.613 1.012 ( 1.144 -1.318 -0.002) 1.746 1.098 ( 0.084 -1.594 2.086) 2.627 1.190 ( 0.651 -5.501 -0.696) 5.583 1.246 ( -1.824 -5.116 0.168) 5.434 1.339 ( -1.090 -2.406 -0.461) 2.682 1.402 ( 1.867 -3.276 -2.177) 4.354 1.475 ( -0.187 -5.602 0.058) 5.605 1.654 ( 0.451 0.999 0.709) 1.305 2.565 ( 0.133 3.252 -0.402) 3.279 2.620 ( 0.263 4.444 0.367) 4.467 2.860 ( 0.759 0.147 -0.411) 0.876 2.905 ( -0.263 0.440 0.352) 0.622 3.133 ( -0.369 7.558 0.501) 7.584 3.191 ( 1.304 9.487 -1.086) 9.638 3.273 ( -2.288 -4.729 2.214) 5.701 3.331 ( 0.110 -4.839 1.983) 5.230 3.369 ( -1.477 -0.690 -2.141) 2.691 3.488 ( 0.191 6.669 -1.489) 6.836 3.539 ( -1.744 -4.492 -0.630) 4.860 3.653 ( 0.767 5.595 -0.766) 5.699 ======================= Grid point 299 (126/199) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.852 -4.253 0.654) 4.387 0.793 ( -5.464 -5.635 -0.196) 7.851 0.917 ( -2.046 -1.063 2.368) 3.305 0.952 ( -2.075 -6.289 0.137) 6.624 1.022 ( 3.342 1.172 -0.712) 3.613 1.170 ( -0.276 -5.430 3.269) 6.344 1.235 ( 0.560 -0.032 -2.011) 2.088 1.327 ( -2.690 -4.168 0.214) 4.966 1.353 ( -3.149 -1.600 1.023) 3.677 1.474 ( 0.702 -2.557 -1.017) 2.840 1.551 ( 0.970 -2.029 -0.433) 2.290 1.635 ( 0.787 1.564 -0.027) 1.751 2.477 ( 0.665 6.230 -0.676) 6.302 2.509 ( 0.534 7.672 0.581) 7.712 2.834 ( 0.113 2.611 0.286) 2.629 2.888 ( 1.076 2.684 -0.292) 2.906 2.982 ( 0.140 6.255 -0.308) 6.264 3.005 ( 0.781 6.512 0.150) 6.560 3.289 ( -0.588 -0.359 0.910) 1.141 3.375 ( -0.781 1.908 1.120) 2.346 3.427 ( 0.236 -1.071 -0.341) 1.149 3.444 ( -0.975 -4.295 -0.405) 4.423 3.577 ( -0.159 2.269 -0.465) 2.322 3.608 ( -2.869 -3.477 -1.620) 4.790 ======================= Grid point 300 (127/199) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.647 -1.196 0.173) 1.371 0.845 ( -4.153 -3.273 -0.071) 5.289 0.922 ( -2.095 -0.629 1.912) 2.905 1.010 ( 2.430 1.550 -0.486) 2.923 1.044 ( -1.372 -4.011 1.163) 4.396 1.214 ( -0.629 1.485 0.383) 1.658 1.288 ( 0.780 -5.413 2.155) 5.878 1.362 ( -2.532 -0.988 -0.585) 2.780 1.390 ( -1.254 -3.362 -0.101) 3.589 1.497 ( -0.551 0.038 -0.041) 0.553 1.571 ( 0.451 -0.138 -0.747) 0.883 1.601 ( 0.918 2.384 -0.768) 2.667 2.338 ( 0.365 7.467 -0.050) 7.476 2.360 ( 0.602 6.951 -0.342) 6.986 2.792 ( -0.047 1.275 0.232) 1.297 2.814 ( 0.871 3.438 -0.090) 3.548 2.931 ( 0.572 0.587 0.100) 0.826 2.956 ( -0.049 0.917 -0.115) 0.925 3.297 ( -0.547 -0.584 0.856) 1.172 3.337 ( -0.029 1.542 0.464) 1.611 3.451 ( 0.007 -0.898 -0.110) 0.905 3.489 ( 0.273 -0.938 0.427) 1.066 3.560 ( -0.391 -0.622 -0.792) 1.080 3.629 ( -2.257 -0.854 -1.502) 2.843 ======================= Grid point 301 (128/199) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.200 -0.093 -0.209) 0.304 0.875 ( -0.420 -0.258 0.425) 0.651 0.918 ( -0.278 0.039 1.294) 1.324 0.998 ( 0.722 0.466 0.103) 0.865 1.090 ( -0.966 -0.584 0.991) 1.502 1.188 ( 0.056 0.696 1.645) 1.787 1.339 ( -1.462 1.340 -0.004) 1.983 1.371 ( 0.623 -1.783 0.400) 1.931 1.455 ( 0.103 -2.103 -0.285) 2.125 1.474 ( 0.238 0.745 -0.470) 0.912 1.552 ( 0.266 1.603 -0.854) 1.836 1.580 ( -0.009 0.057 0.019) 0.060 2.259 ( -0.236 -0.129 -0.156) 0.311 2.287 ( 0.314 0.162 -0.355) 0.501 2.779 ( 0.064 0.346 0.545) 0.649 2.789 ( -0.180 -0.389 -0.405) 0.590 2.933 ( 0.039 -0.240 0.087) 0.258 2.943 ( 0.023 0.334 0.088) 0.346 3.309 ( -0.432 -0.876 0.910) 1.335 3.316 ( 0.048 0.812 0.327) 0.877 3.454 ( -0.510 0.543 0.650) 0.989 3.498 ( 0.050 -0.008 0.355) 0.358 3.579 ( 1.186 -0.960 -1.844) 2.394 3.623 ( -0.024 0.262 -1.274) 1.301 ======================= Grid point 302 (129/199) ======================= q-point: (-0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.210 0.964 -0.454) 1.612 0.845 ( 3.303 3.219 0.023) 4.612 0.923 ( 0.956 0.736 2.065) 2.392 0.995 ( -0.207 0.460 0.854) 0.991 1.054 ( -0.989 2.992 -0.071) 3.151 1.195 ( 0.427 -0.099 1.718) 1.773 1.297 ( -1.900 2.387 1.429) 3.369 1.376 ( 3.038 1.866 -1.354) 3.814 1.415 ( 1.827 2.564 -2.399) 3.958 1.500 ( 0.462 0.718 -0.611) 1.050 1.552 ( 0.222 -1.148 1.257) 1.717 1.582 ( -1.344 -1.079 0.728) 1.871 2.333 ( -0.567 -6.766 0.264) 6.795 2.363 ( -0.270 -7.699 -0.545) 7.723 2.792 ( -0.212 -1.873 0.230) 1.899 2.813 ( -0.816 -2.702 -0.046) 2.823 2.934 ( -0.483 -0.320 -0.174) 0.605 2.950 ( -0.053 -1.063 0.370) 1.127 3.303 ( 0.078 0.619 0.345) 0.713 3.333 ( -0.282 -1.729 0.765) 1.912 3.429 ( -0.591 1.880 1.240) 2.329 3.496 ( -0.067 0.200 0.115) 0.241 3.590 ( 1.453 0.329 -3.243) 3.569 3.621 ( 2.981 0.703 -0.591) 3.119 ======================= Grid point 303 (130/199) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.639 4.384 -0.061) 4.431 0.794 ( 5.308 5.152 -0.186) 7.399 0.921 ( 0.601 0.188 2.495) 2.573 0.937 ( 2.263 7.085 1.315) 7.553 1.004 ( -2.930 0.664 0.253) 3.015 1.182 ( -1.816 1.771 1.872) 3.153 1.235 ( 0.789 2.873 -1.096) 3.175 1.340 ( 3.574 3.610 -1.365) 5.260 1.390 ( 2.589 1.255 -2.436) 3.770 1.460 ( -0.787 3.432 0.303) 3.534 1.546 ( -0.821 1.638 0.055) 1.833 1.616 ( -0.776 -2.038 1.826) 2.845 2.466 ( -0.246 -6.405 0.313) 6.417 2.520 ( -0.923 -7.496 -0.377) 7.562 2.842 ( -0.670 -2.492 -0.421) 2.615 2.877 ( -0.751 -3.041 0.780) 3.228 2.977 ( -0.109 -5.990 0.087) 5.991 3.006 ( -0.690 -6.422 0.071) 6.459 3.294 ( -0.102 0.342 0.711) 0.795 3.375 ( 0.722 2.351 1.223) 2.747 3.382 ( -0.367 -1.433 1.129) 1.861 3.487 ( 0.835 1.231 -1.719) 2.273 3.572 ( 1.475 1.937 -0.721) 2.539 3.622 ( 3.128 0.386 -2.488) 4.015 ======================= Grid point 304 (131/199) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.252 6.389 0.783) 6.442 0.697 ( 3.724 7.509 -0.936) 8.434 0.773 ( -0.172 9.996 1.803) 10.159 0.931 ( 0.332 0.233 2.793) 2.822 0.974 ( -0.273 1.724 0.993) 2.008 1.129 ( -1.845 2.564 0.320) 3.175 1.179 ( -0.009 4.487 0.142) 4.489 1.282 ( 3.274 3.679 -2.934) 5.733 1.329 ( -1.385 7.090 0.364) 7.234 1.395 ( 0.548 1.333 -1.472) 2.061 1.478 ( 0.032 5.068 -0.403) 5.084 1.650 ( -0.721 -1.660 1.211) 2.177 2.563 ( 0.211 -3.664 -0.149) 3.673 2.622 ( -0.545 -4.048 0.175) 4.088 2.857 ( -0.676 0.080 -0.166) 0.701 2.905 ( 0.060 -0.627 0.301) 0.698 3.133 ( -0.052 -6.518 0.681) 6.554 3.185 ( -0.342 -10.192 -0.735) 10.224 3.267 ( 0.823 7.297 2.841) 7.874 3.310 ( -0.634 -2.963 0.757) 3.124 3.407 ( 2.065 4.656 -1.974) 5.462 3.482 ( 0.846 -3.538 -1.624) 3.983 3.537 ( 1.727 0.920 -0.288) 1.977 3.665 ( -0.046 -4.686 -1.929) 5.068 ======================= Grid point 305 (132/199) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.690 9.169 1.349) 9.293 0.564 ( 2.343 7.313 -1.520) 7.829 0.601 ( -3.764 6.003 2.817) 7.625 0.881 ( -0.920 11.290 0.689) 11.348 0.926 ( 0.017 1.527 3.023) 3.387 1.032 ( 2.265 3.703 1.134) 4.486 1.097 ( -2.792 10.032 1.100) 10.472 1.136 ( -1.774 2.783 0.518) 3.340 1.259 ( 1.389 2.626 -3.307) 4.446 1.354 ( 1.266 4.538 -1.263) 4.878 1.393 ( -0.254 1.174 -2.063) 2.387 1.678 ( -0.773 -1.838 0.612) 2.085 2.593 ( -0.057 1.988 -0.461) 2.042 2.677 ( 0.450 -1.234 0.641) 1.462 2.804 ( -0.406 6.353 1.343) 6.506 2.898 ( 1.610 2.893 -1.759) 3.749 3.090 ( 1.768 4.938 1.516) 5.460 3.212 ( 1.614 2.738 -1.281) 3.427 3.259 ( 1.598 6.505 -4.959) 8.334 3.329 ( -1.569 -4.046 0.751) 4.404 3.433 ( -0.359 -3.999 0.754) 4.085 3.503 ( 0.212 -4.021 -0.225) 4.033 3.674 ( -0.318 -10.661 -0.166) 10.667 3.775 ( -0.962 -6.636 -0.713) 6.743 ======================= Grid point 306 (133/199) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.736 7.774 2.750) 8.279 0.440 ( 1.161 10.483 -0.316) 10.552 0.513 ( -5.116 1.483 3.171) 6.199 0.578 ( -1.810 12.319 -0.380) 12.457 0.804 ( -0.958 13.289 -0.038) 13.323 0.938 ( -1.961 0.442 6.534) 6.837 1.043 ( 3.712 -0.022 0.190) 3.717 1.102 ( -1.622 1.570 0.554) 2.324 1.180 ( -0.008 3.699 -1.865) 4.143 1.310 ( 0.778 0.524 -3.725) 3.841 1.391 ( 0.234 -1.040 -2.473) 2.693 1.729 ( -0.517 -4.297 0.909) 4.422 2.397 ( 0.115 16.380 2.015) 16.504 2.550 ( 0.870 18.657 -6.639) 19.822 2.748 ( 0.016 -0.699 0.250) 0.743 2.775 ( 1.088 6.036 -2.068) 6.472 3.080 ( 0.643 -1.197 0.543) 1.464 3.117 ( 0.183 2.472 -0.806) 2.607 3.221 ( -0.103 0.270 -1.645) 1.670 3.383 ( -0.800 -1.861 1.036) 2.275 3.443 ( 0.088 0.237 0.023) 0.253 3.625 ( 0.047 -5.520 -0.548) 5.547 3.856 ( 0.361 -7.007 0.830) 7.065 3.884 ( -0.879 -5.193 -0.059) 5.267 ======================= Grid point 308 (134/199) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 9.363 0.000 0.580) 9.381 0.300 ( 6.481 0.000 -1.543) 6.662 0.439 ( -3.386 -0.000 3.286) 4.718 0.582 ( 5.915 0.000 2.126) 6.286 0.630 ( 1.058 0.000 -0.069) 1.060 0.934 ( -3.472 -0.000 6.916) 7.738 1.033 ( -0.771 -0.000 -0.114) 0.780 1.058 ( -5.683 -0.000 0.918) 5.757 1.169 ( 4.131 0.000 -2.071) 4.621 1.311 ( 2.332 0.000 -3.683) 4.359 1.401 ( -0.256 -0.000 -2.175) 2.190 1.785 ( -3.747 -0.000 1.531) 4.048 2.186 ( 1.193 0.000 -0.250) 1.219 2.223 ( 1.055 0.000 0.267) 1.088 2.733 ( 0.349 0.000 0.020) 0.349 2.759 ( -0.269 -0.000 0.058) 0.275 3.091 ( -1.000 -0.000 0.443) 1.094 3.098 ( -0.900 -0.000 0.059) 0.902 3.217 ( 0.632 0.000 -1.082) 1.253 3.406 ( 0.768 0.000 0.937) 1.211 3.441 ( -0.041 -0.000 0.032) 0.052 3.708 ( 3.605 0.000 -2.693) 4.500 3.921 ( 0.405 0.000 -0.291) 0.498 3.961 ( 1.481 0.000 0.022) 1.481 ======================= Grid point 309 (135/199) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 1.474 -5.263 -0.295) 5.473 0.421 ( -1.309 -3.461 1.394) 3.954 0.576 ( 6.434 -7.613 1.448) 10.072 0.625 ( 4.760 -8.803 0.394) 10.016 0.811 ( 1.191 -12.943 0.741) 13.019 0.919 ( -3.402 -0.147 5.002) 6.051 1.013 ( -4.492 -0.575 2.112) 4.997 1.111 ( 0.079 -4.877 -0.162) 4.881 1.191 ( 2.534 -1.569 -2.527) 3.908 1.318 ( 1.941 -0.082 -3.351) 3.873 1.380 ( 0.208 0.751 -1.430) 1.629 1.715 ( -1.361 3.078 1.848) 3.839 2.405 ( -0.678 -15.792 0.694) 15.822 2.491 ( -1.608 -19.942 -1.266) 20.047 2.746 ( -0.377 0.480 0.177) 0.635 2.767 ( -0.269 -3.497 -0.942) 3.632 3.070 ( -1.487 1.309 0.158) 1.987 3.093 ( -1.729 -0.830 0.602) 2.010 3.219 ( 0.743 0.018 -0.766) 1.067 3.395 ( 0.819 1.830 0.967) 2.226 3.447 ( 0.127 -0.578 -0.168) 0.615 3.663 ( 3.387 6.193 -2.594) 7.520 3.865 ( 0.080 6.586 -0.603) 6.614 3.902 ( 2.446 6.019 0.215) 6.501 ======================= Grid point 310 (136/199) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -1.487 -8.018 0.511) 8.171 0.518 ( -1.069 -6.687 1.717) 6.986 0.667 ( 2.838 -4.444 0.088) 5.274 0.866 ( -1.503 -5.534 0.982) 5.818 0.944 ( -0.059 -5.123 2.617) 5.753 1.017 ( -1.610 -5.696 0.976) 5.999 1.083 ( -1.889 -9.440 2.141) 9.862 1.162 ( 4.055 -0.521 -0.429) 4.110 1.288 ( 2.170 -5.229 -3.965) 6.912 1.333 ( -1.458 -2.930 -1.331) 3.533 1.385 ( 0.529 -1.560 -0.436) 1.704 1.677 ( 0.086 1.193 1.364) 1.814 2.586 ( -0.243 -2.318 0.075) 2.332 2.677 ( -0.582 0.843 -0.029) 1.025 2.814 ( 0.194 -6.810 0.787) 6.858 2.875 ( -1.497 -5.504 -1.523) 5.904 3.078 ( -2.891 -5.945 -0.309) 6.618 3.147 ( -4.146 -6.922 1.536) 8.214 3.219 ( 0.724 0.486 0.247) 0.906 3.349 ( 1.018 3.666 0.627) 3.856 3.464 ( 0.265 -1.072 -1.155) 1.598 3.513 ( 1.599 9.778 -1.588) 10.034 3.681 ( 0.534 11.435 -0.314) 11.452 3.788 ( 1.981 7.246 -0.249) 7.516 ======================= Grid point 311 (137/199) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -2.483 -6.828 0.779) 7.308 0.642 ( -2.845 -6.629 0.949) 7.276 0.795 ( -0.678 -7.611 -0.112) 7.642 0.893 ( -3.274 -0.962 1.728) 3.825 1.026 ( 0.862 -3.276 1.396) 3.664 1.108 ( 0.623 -1.654 0.882) 1.976 1.193 ( -0.270 -5.172 0.166) 5.182 1.235 ( 0.273 -3.395 -0.368) 3.426 1.317 ( -2.175 -0.515 -0.405) 2.272 1.416 ( 1.793 -3.809 -2.061) 4.687 1.472 ( -0.276 -6.209 0.094) 6.215 1.663 ( 0.465 0.957 0.653) 1.248 2.565 ( 0.156 3.078 -0.504) 3.123 2.624 ( 0.237 4.058 0.443) 4.089 2.869 ( 1.013 0.281 -0.273) 1.086 2.903 ( -0.105 -0.166 0.200) 0.280 3.130 ( -0.381 6.848 0.606) 6.885 3.203 ( 1.458 6.603 -1.046) 6.843 3.251 ( -2.438 -5.798 1.051) 6.377 3.334 ( -1.133 -5.023 2.054) 5.544 3.348 ( -1.109 2.373 -1.010) 2.807 3.483 ( -0.125 4.913 -1.888) 5.265 3.516 ( -1.794 -1.245 -0.267) 2.200 3.661 ( 0.931 6.248 -0.478) 6.335 ======================= Grid point 312 (138/199) ======================= q-point: ( 0.42 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -3.052 -4.915 0.213) 5.789 0.733 ( -3.769 -4.882 0.456) 6.184 0.889 ( -4.159 -1.183 1.101) 4.462 0.927 ( -2.225 -6.507 1.318) 7.002 1.065 ( 4.401 1.287 -0.805) 4.656 1.177 ( -0.731 -5.849 3.255) 6.733 1.233 ( 0.124 0.473 -1.603) 1.676 1.300 ( -1.919 -3.674 0.056) 4.146 1.325 ( -2.328 -2.290 0.604) 3.321 1.476 ( 0.162 -1.922 -0.648) 2.034 1.556 ( 0.219 -2.229 -0.577) 2.313 1.642 ( 0.487 1.599 -0.263) 1.692 2.483 ( 0.852 5.940 -0.805) 6.054 2.518 ( 0.386 7.768 0.703) 7.809 2.841 ( 0.875 3.041 0.663) 3.233 2.897 ( 0.683 1.969 -0.626) 2.176 2.983 ( 0.237 5.735 -0.131) 5.741 3.016 ( 1.054 8.003 -0.073) 8.072 3.286 ( -0.664 -0.407 1.115) 1.360 3.370 ( -0.771 0.819 0.952) 1.474 3.421 ( -0.051 -1.869 -2.712) 3.294 3.438 ( -0.789 -4.247 1.933) 4.733 3.563 ( -3.641 -2.821 -0.509) 4.634 3.574 ( -0.035 2.123 -1.318) 2.499 ======================= Grid point 313 (139/199) ======================= q-point: ( 0.50 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -1.607 -1.918 -0.226) 2.513 0.802 ( -3.228 -4.738 0.617) 5.766 0.900 ( -2.650 -1.661 1.374) 3.416 1.016 ( -1.114 -2.440 -0.099) 2.684 1.055 ( 2.284 0.282 1.399) 2.693 1.210 ( -0.429 1.219 -0.017) 1.292 1.296 ( -1.276 -5.429 2.529) 6.124 1.338 ( -0.762 -1.219 -1.296) 1.935 1.380 ( -0.370 -4.140 0.226) 4.163 1.491 ( -0.437 0.082 0.190) 0.483 1.567 ( -0.425 0.441 -1.198) 1.346 1.608 ( 0.675 1.977 -0.656) 2.190 2.342 ( 0.303 7.945 0.262) 7.955 2.364 ( 0.484 7.017 -0.649) 7.064 2.795 ( 0.564 1.589 0.326) 1.717 2.825 ( 0.958 3.769 -0.093) 3.890 2.938 ( 0.465 0.614 0.030) 0.771 2.953 ( -0.303 0.989 -0.069) 1.037 3.293 ( -0.574 -0.607 0.956) 1.269 3.339 ( -0.058 1.431 0.433) 1.496 3.452 ( 0.379 -0.856 -0.251) 0.969 3.493 ( 0.127 -1.048 0.392) 1.126 3.552 ( -0.773 -1.231 -0.565) 1.560 3.598 ( -2.066 -1.929 -1.567) 3.232 ======================= Grid point 314 (140/199) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.150 -0.890 -0.356) 0.970 0.868 ( -0.979 -2.514 0.634) 2.771 0.921 ( -0.013 -1.139 1.177) 1.638 1.005 ( 0.531 1.293 -0.657) 1.544 1.088 ( -0.099 -0.195 1.540) 1.556 1.196 ( 0.337 -0.240 1.188) 1.258 1.311 ( -3.006 0.764 0.956) 3.246 1.385 ( 1.055 -1.804 0.119) 2.093 1.458 ( 0.534 -1.546 -0.189) 1.647 1.478 ( 0.839 -0.519 -0.571) 1.140 1.548 ( -0.370 0.426 -0.865) 1.032 1.582 ( 0.280 1.164 -0.001) 1.197 2.257 ( -0.052 0.163 0.101) 0.199 2.287 ( -0.074 0.299 -0.504) 0.591 2.784 ( 0.520 0.373 0.423) 0.767 2.788 ( 0.227 0.437 -0.189) 0.528 2.933 ( -0.169 0.304 0.003) 0.348 2.941 ( -0.442 -0.020 0.016) 0.443 3.307 ( -0.500 -0.995 0.903) 1.434 3.318 ( 0.011 0.846 0.289) 0.894 3.452 ( -0.237 0.764 0.967) 1.255 3.499 ( -0.176 0.108 0.198) 0.286 3.581 ( 0.533 -1.346 -2.501) 2.890 3.622 ( 0.640 -1.502 -0.770) 1.805 ======================= Grid point 315 (141/199) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.328 0.693 -0.652) 1.006 0.885 ( 3.084 1.263 0.424) 3.359 0.935 ( -0.076 0.353 2.207) 2.237 0.986 ( -1.175 0.160 -0.400) 1.251 1.055 ( 0.674 3.490 0.313) 3.568 1.207 ( 0.566 0.838 1.751) 2.022 1.278 ( -2.206 1.353 1.087) 2.807 1.401 ( 1.804 0.543 -0.530) 1.957 1.430 ( 2.260 2.316 -2.631) 4.170 1.507 ( 0.942 0.740 -0.476) 1.289 1.551 ( -1.214 0.742 0.670) 1.572 1.573 ( -0.513 -2.097 1.161) 2.451 2.329 ( -0.172 -6.741 0.158) 6.745 2.357 ( -0.530 -7.331 -0.340) 7.358 2.795 ( 0.459 -1.415 0.299) 1.517 2.804 ( -0.720 -2.428 -0.067) 2.533 2.928 ( -0.429 -0.471 -0.194) 0.666 2.951 ( -0.176 -1.029 0.344) 1.100 3.304 ( -0.087 0.594 0.311) 0.676 3.333 ( -0.200 -1.873 0.700) 2.010 3.430 ( -0.146 1.697 1.639) 2.363 3.494 ( -0.178 0.135 -0.136) 0.261 3.590 ( 0.758 0.104 -3.242) 3.331 3.651 ( 2.424 -0.212 -0.669) 2.524 ======================= Grid point 316 (142/199) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.096 4.319 -0.055) 4.321 0.845 ( 3.147 5.102 0.016) 5.995 0.931 ( -0.390 0.717 2.773) 2.891 0.958 ( 0.661 6.752 0.615) 6.812 0.985 ( -0.361 -0.039 -0.245) 0.438 1.167 ( -1.850 2.893 2.052) 4.000 1.239 ( 0.628 1.962 -1.468) 2.530 1.372 ( 2.431 3.778 -1.212) 4.654 1.407 ( 1.404 1.019 -1.630) 2.381 1.453 ( -0.496 4.777 0.370) 4.817 1.535 ( -0.938 0.893 0.067) 1.297 1.615 ( -0.349 -1.923 1.337) 2.368 2.466 ( 0.082 -6.559 0.123) 6.561 2.508 ( -0.782 -7.513 -0.167) 7.555 2.837 ( -0.062 -1.926 -0.148) 1.932 2.871 ( -0.610 -3.644 0.602) 3.744 2.978 ( 0.235 -5.991 0.068) 5.996 2.999 ( -0.562 -5.928 0.034) 5.955 3.295 ( -0.210 0.332 0.616) 0.731 3.382 ( -0.405 -2.010 1.229) 2.390 3.389 ( 0.854 2.095 1.688) 2.822 3.486 ( 0.190 1.175 -2.137) 2.446 3.580 ( 0.732 0.471 -1.071) 1.380 3.645 ( 2.155 1.803 -2.121) 3.521 ======================= Grid point 317 (143/199) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.165 6.177 0.936) 6.249 0.726 ( 1.204 8.287 -0.379) 8.382 0.774 ( 0.016 10.776 0.681) 10.798 0.936 ( -1.372 0.494 4.152) 4.401 0.985 ( 1.677 0.461 -0.887) 1.952 1.107 ( -2.154 2.111 1.204) 3.247 1.182 ( 0.504 5.656 -0.516) 5.702 1.298 ( -0.745 4.066 -1.532) 4.408 1.319 ( 1.365 7.885 -0.259) 8.006 1.396 ( 0.461 0.904 -1.444) 1.765 1.477 ( -0.027 4.979 -0.219) 4.984 1.647 ( -0.390 -1.416 0.894) 1.719 2.564 ( 0.174 -3.542 -0.215) 3.553 2.617 ( -0.299 -4.485 0.207) 4.500 2.853 ( -0.052 0.047 -0.151) 0.166 2.906 ( -0.061 -0.890 0.383) 0.971 3.134 ( -0.091 -7.603 0.581) 7.626 3.181 ( 0.173 -10.684 -0.944) 10.727 3.285 ( -0.533 6.482 4.879) 8.130 3.308 ( 0.319 -0.369 -0.250) 0.548 3.411 ( 0.313 3.872 -3.155) 5.004 3.486 ( 0.738 -5.585 -1.155) 5.750 3.553 ( 1.007 3.447 -0.253) 3.600 3.657 ( -0.077 -4.342 -1.982) 4.774 ======================= Grid point 318 (144/199) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -0.287 8.676 1.507) 8.810 0.563 ( -3.389 6.921 1.215) 7.802 0.595 ( 2.949 7.686 -0.376) 8.241 0.876 ( -0.571 11.813 0.850) 11.857 0.934 ( -0.651 2.710 3.391) 4.389 1.063 ( -1.754 6.049 0.325) 6.307 1.071 ( 2.299 1.799 0.629) 2.986 1.119 ( -2.152 7.088 1.800) 7.623 1.266 ( 2.196 2.724 -4.122) 5.406 1.360 ( 0.393 5.607 -0.820) 5.681 1.383 ( -0.166 0.487 -1.762) 1.835 1.673 ( -0.512 -1.736 0.786) 1.973 2.590 ( -0.141 1.968 -0.211) 1.985 2.682 ( 0.117 -1.830 0.371) 1.871 2.806 ( -0.149 6.262 1.349) 6.407 2.904 ( 0.497 2.737 -1.762) 3.293 3.112 ( 0.617 6.453 1.965) 6.774 3.214 ( -0.145 0.428 -0.803) 0.921 3.236 ( -2.436 7.979 -4.220) 9.350 3.324 ( 0.284 -4.480 0.531) 4.520 3.442 ( 1.661 -3.162 -0.548) 3.614 3.505 ( 0.168 -3.492 -0.277) 3.507 3.671 ( 0.065 -11.043 -0.158) 11.045 3.767 ( 0.056 -6.550 -0.502) 6.570 ======================= Grid point 321 (145/199) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 1.425 0.000 -2.254) 2.667 0.371 ( 10.739 0.000 -0.226) 10.742 0.471 ( 6.117 0.000 3.300) 6.951 0.649 ( 2.040 0.000 0.400) 2.079 0.657 ( 5.135 0.000 2.082) 5.541 0.914 ( -3.697 -0.000 4.546) 5.859 0.999 ( -5.537 -0.000 3.124) 6.357 1.019 ( -1.509 -0.000 -0.142) 1.515 1.201 ( 3.226 0.000 -3.148) 4.507 1.327 ( 2.352 0.000 -2.929) 3.757 1.391 ( -0.214 -0.000 -1.617) 1.631 1.750 ( -3.554 -0.000 2.554) 4.376 2.204 ( 2.048 0.000 -0.206) 2.058 2.243 ( 2.045 0.000 0.396) 2.083 2.739 ( 0.607 0.000 0.081) 0.612 2.753 ( -0.616 -0.000 -0.157) 0.636 3.079 ( -1.425 -0.000 0.104) 1.429 3.083 ( -1.531 -0.000 0.102) 1.534 3.223 ( 1.020 0.000 -0.746) 1.264 3.420 ( 0.856 0.000 1.079) 1.377 3.441 ( -0.058 -0.000 0.036) 0.068 3.742 ( 3.941 0.000 -2.916) 4.903 3.923 ( 0.110 0.000 -0.889) 0.896 3.986 ( 3.008 0.000 0.121) 3.010 ======================= Grid point 322 (146/199) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 2.515 -2.921 -0.841) 3.946 0.441 ( 3.589 -1.797 2.103) 4.531 0.644 ( 3.932 -2.970 1.138) 5.058 0.684 ( 5.239 -9.360 -0.277) 10.730 0.830 ( 1.432 -12.097 0.969) 12.220 0.898 ( -2.441 -0.503 2.527) 3.550 0.974 ( -4.415 -0.872 4.377) 6.278 1.102 ( -1.274 -7.463 -0.200) 7.574 1.213 ( 2.933 -0.337 -3.153) 4.320 1.326 ( 1.317 0.655 -3.062) 3.397 1.380 ( 0.532 0.365 -0.947) 1.146 1.708 ( -1.074 1.866 2.129) 3.028 2.399 ( -0.387 -14.796 -0.227) 14.803 2.477 ( -0.849 -18.051 0.751) 18.086 2.742 ( -0.320 0.090 0.289) 0.440 2.761 ( -0.177 -2.121 -0.719) 2.247 3.053 ( -1.525 1.449 0.171) 2.110 3.072 ( -2.070 -0.216 0.319) 2.106 3.227 ( 0.994 0.076 -0.461) 1.098 3.407 ( 0.581 1.842 1.094) 2.220 3.446 ( -0.040 -0.522 -0.120) 0.537 3.693 ( 3.349 6.666 -2.550) 7.884 3.861 ( -0.315 6.376 -1.044) 6.468 3.940 ( 3.802 6.288 0.390) 7.358 ======================= Grid point 323 (147/199) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.039 -6.378 0.495) 6.397 0.521 ( 0.376 -4.814 1.831) 5.164 0.694 ( 1.812 -2.968 -0.061) 3.477 0.846 ( -2.344 -2.976 0.623) 3.839 0.954 ( -0.282 -4.476 3.290) 5.562 1.005 ( -1.075 -6.751 0.862) 6.890 1.073 ( -0.978 -9.233 1.511) 9.407 1.203 ( 3.435 -1.333 -0.696) 3.750 1.296 ( 1.218 -8.080 -2.588) 8.571 1.312 ( -0.825 -0.009 -2.266) 2.412 1.389 ( 0.364 -1.369 -0.334) 1.456 1.684 ( 0.108 0.992 1.490) 1.793 2.582 ( -0.422 -2.681 0.024) 2.714 2.669 ( -0.715 -0.219 -0.056) 0.750 2.821 ( 0.477 -7.344 0.655) 7.388 2.854 ( -1.180 -6.699 -1.007) 6.877 3.047 ( -2.238 -4.306 0.004) 4.853 3.105 ( -3.908 -6.161 1.267) 7.405 3.228 ( 0.620 0.418 0.317) 0.812 3.360 ( 0.436 3.637 0.865) 3.764 3.459 ( -0.445 -1.050 -0.422) 1.217 3.529 ( 2.325 11.125 -2.145) 11.566 3.682 ( 0.030 11.149 -0.561) 11.163 3.814 ( 2.568 8.368 -0.068) 8.753 ======================= Grid point 324 (148/199) ======================= q-point: ( 0.42 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -2.944 -5.521 0.533) 6.280 0.624 ( -1.284 -5.705 1.573) 6.056 0.781 ( -1.386 -5.456 -0.544) 5.655 0.858 ( -3.730 -1.139 1.622) 4.224 1.040 ( 0.064 -4.945 2.829) 5.697 1.119 ( 1.106 -2.857 -0.626) 3.127 1.184 ( -1.261 -4.437 0.713) 4.668 1.248 ( 1.940 -1.486 -0.432) 2.482 1.291 ( -1.853 0.298 -1.126) 2.189 1.426 ( 1.015 -3.271 -1.467) 3.726 1.469 ( -0.345 -6.772 -0.111) 6.782 1.669 ( 0.161 1.049 0.546) 1.194 2.566 ( 0.331 2.773 -0.527) 2.842 2.627 ( -0.127 3.651 0.444) 3.680 2.881 ( 1.228 0.214 0.030) 1.247 2.904 ( 0.202 -0.536 0.125) 0.586 3.130 ( -0.170 5.738 0.753) 5.790 3.211 ( -0.551 -4.443 0.049) 4.477 3.232 ( -0.374 1.638 -0.373) 1.721 3.318 ( -2.591 -4.745 1.318) 5.565 3.338 ( -0.246 5.010 -0.386) 5.031 3.473 ( -0.297 1.977 -1.503) 2.501 3.499 ( -0.994 3.338 -0.209) 3.490 3.670 ( 0.848 7.046 -0.439) 7.110 ======================= Grid point 325 (149/199) ======================= q-point: ( 0.50 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -4.615 -5.556 -0.022) 7.223 0.717 ( -0.590 -3.848 1.232) 4.083 0.835 ( -5.243 -2.680 -0.141) 5.890 0.911 ( -1.878 -5.534 2.385) 6.312 1.111 ( 3.901 1.164 -0.891) 4.167 1.180 ( -0.586 -5.708 2.994) 6.472 1.222 ( -1.324 0.118 -0.357) 1.377 1.286 ( -0.276 -2.730 -1.426) 3.092 1.305 ( -1.310 -3.054 0.323) 3.338 1.475 ( -0.079 -1.644 -0.214) 1.659 1.552 ( -0.494 -2.067 -0.729) 2.247 1.644 ( 0.034 1.633 -0.338) 1.668 2.491 ( 1.011 5.776 -0.757) 5.913 2.522 ( -0.054 7.735 0.642) 7.762 2.859 ( 1.477 3.347 0.977) 3.786 2.900 ( 0.316 1.665 -0.573) 1.789 2.986 ( 0.322 5.257 0.164) 5.269 3.027 ( 0.888 9.270 -0.510) 9.326 3.282 ( -0.647 -0.441 1.287) 1.506 3.365 ( -0.630 -0.564 0.858) 1.205 3.411 ( -0.161 -2.895 -1.830) 3.428 3.435 ( -0.641 -4.163 0.690) 4.268 3.520 ( -3.133 -2.728 -0.711) 4.215 3.571 ( 0.057 3.023 -0.764) 3.119 ======================= Grid point 326 (150/199) ======================= q-point: ( 0.58 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.309 -3.749 -0.097) 3.972 0.775 ( -2.295 -4.112 0.799) 4.776 0.874 ( -2.352 -3.518 0.706) 4.290 1.002 ( -1.480 -3.586 1.091) 4.030 1.089 ( 2.554 1.699 1.062) 3.246 1.201 ( -1.148 0.805 -0.381) 1.453 1.283 ( -1.600 -3.283 1.349) 3.894 1.334 ( 0.306 -3.208 -0.558) 3.270 1.382 ( 0.431 -4.732 0.294) 4.761 1.489 ( -0.121 -0.042 0.585) 0.598 1.554 ( -0.835 0.649 -1.527) 1.857 1.611 ( 0.250 1.583 -0.541) 1.692 2.346 ( 0.053 8.191 0.556) 8.210 2.367 ( 0.467 7.272 -0.925) 7.346 2.806 ( 0.929 2.056 0.508) 2.313 2.834 ( 0.689 3.637 -0.129) 3.704 2.939 ( -0.309 0.889 -0.278) 0.981 2.952 ( 0.125 1.185 0.199) 1.208 3.291 ( -0.486 -0.612 0.958) 1.237 3.339 ( -0.139 1.387 0.420) 1.456 3.458 ( 0.662 -0.686 0.071) 0.956 3.494 ( -0.269 -1.001 0.296) 1.078 3.538 ( -1.039 -2.283 -1.024) 2.709 3.575 ( -0.828 -2.673 -1.376) 3.118 ======================= Grid point 327 (151/199) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.273 -1.211 -0.417) 1.309 0.860 ( -0.653 -4.553 0.567) 4.635 0.925 ( -0.120 -1.783 1.219) 2.163 1.004 ( -0.270 1.679 -0.697) 1.838 1.098 ( 0.701 0.552 1.275) 1.556 1.201 ( -0.437 -1.915 1.300) 2.356 1.286 ( -1.648 1.100 0.939) 2.192 1.394 ( 0.415 -1.826 0.551) 1.952 1.465 ( 0.760 -1.265 -0.183) 1.487 1.485 ( 0.542 -0.890 -0.875) 1.360 1.540 ( -0.369 -0.567 -0.612) 0.912 1.585 ( 0.264 1.547 -0.143) 1.576 2.259 ( 0.268 0.286 0.271) 0.476 2.282 ( -0.328 0.488 -0.605) 0.844 2.788 ( 0.118 0.543 -0.136) 0.572 2.796 ( 0.743 0.923 0.454) 1.269 2.930 ( -0.206 0.683 -0.059) 0.716 2.935 ( -0.555 -0.325 -0.047) 0.645 3.305 ( -0.398 -0.976 0.888) 1.378 3.318 ( -0.085 0.772 0.240) 0.813 3.455 ( -0.039 0.838 1.326) 1.569 3.496 ( -0.315 0.127 0.047) 0.343 3.574 ( 0.216 -1.450 -2.731) 3.100 3.629 ( 0.867 -2.761 -0.706) 2.979 ======================= Grid point 328 (152/199) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.090 0.528 -0.598) 0.803 0.912 ( 1.098 0.611 0.822) 1.502 0.941 ( -0.327 -0.138 1.841) 1.875 0.974 ( -0.567 0.053 -0.539) 0.784 1.063 ( 0.407 3.400 0.042) 3.424 1.222 ( 0.922 2.319 1.936) 3.158 1.256 ( -2.054 0.057 0.841) 2.221 1.413 ( 0.339 0.160 0.077) 0.383 1.441 ( 1.107 1.818 -2.430) 3.231 1.515 ( 0.355 -0.938 -0.325) 1.055 1.538 ( -0.620 3.226 0.410) 3.311 1.577 ( 0.317 -2.293 0.721) 2.424 2.331 ( 0.279 -6.594 -0.026) 6.600 2.350 ( -0.466 -7.243 -0.130) 7.259 2.797 ( -0.476 -2.180 0.027) 2.232 2.802 ( 0.498 -1.149 0.213) 1.270 2.924 ( -0.180 -0.688 -0.132) 0.723 2.950 ( -0.091 -1.097 0.218) 1.122 3.304 ( -0.236 0.555 0.375) 0.710 3.334 ( -0.132 -1.924 0.613) 2.023 3.437 ( 0.125 1.480 1.869) 2.388 3.491 ( -0.226 0.153 -0.394) 0.479 3.585 ( 0.269 -0.098 -2.915) 2.929 3.669 ( 1.224 -0.575 -0.842) 1.593 ======================= Grid point 329 (153/199) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.316 4.193 0.126) 4.207 0.862 ( -0.168 4.860 0.295) 4.871 0.933 ( -0.940 1.513 2.356) 2.954 0.963 ( 0.028 5.777 0.485) 5.797 0.988 ( 1.043 -0.013 -0.814) 1.323 1.158 ( -1.158 3.837 2.533) 4.741 1.239 ( 0.439 1.323 -1.661) 2.168 1.378 ( -0.926 3.720 -0.289) 3.845 1.408 ( -0.585 1.364 -0.688) 1.636 1.455 ( 0.897 5.099 -0.273) 5.185 1.530 ( 0.288 0.504 -0.135) 0.596 1.618 ( 0.228 -1.743 0.765) 1.917 2.469 ( 0.320 -6.574 -0.152) 6.584 2.502 ( -0.282 -7.555 0.100) 7.561 2.837 ( -0.041 -1.681 -0.017) 1.681 2.869 ( 0.091 -3.910 0.371) 3.929 2.981 ( 0.217 -6.143 -0.056) 6.147 2.995 ( -0.116 -5.624 0.079) 5.625 3.294 ( -0.337 0.324 0.629) 0.783 3.381 ( -0.509 -2.365 1.237) 2.717 3.406 ( 0.733 1.912 1.965) 2.838 3.476 ( -0.358 1.735 -2.490) 3.055 3.582 ( 0.268 -0.638 -1.040) 1.249 3.652 ( 0.375 2.583 -1.845) 3.196 ======================= Grid point 330 (154/199) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.622 6.045 0.945) 6.150 0.716 ( -2.535 9.230 0.408) 9.581 0.784 ( 1.262 9.867 -0.094) 9.948 0.933 ( -1.787 0.810 3.418) 3.941 0.999 ( 1.433 0.196 -0.951) 1.731 1.095 ( -1.010 2.025 2.100) 3.087 1.186 ( 0.627 5.813 -0.832) 5.905 1.272 ( -2.618 5.760 0.224) 6.331 1.339 ( 1.734 5.347 -1.324) 5.775 1.395 ( 0.521 1.370 -1.544) 2.128 1.476 ( -0.082 5.151 -0.074) 5.152 1.648 ( 0.097 -1.172 0.747) 1.393 2.565 ( 0.153 -3.387 -0.296) 3.403 2.617 ( 0.024 -4.622 0.274) 4.630 2.854 ( 0.437 -0.015 -0.302) 0.532 2.906 ( -0.226 -0.862 0.413) 0.982 3.135 ( -0.221 -7.856 0.495) 7.874 3.183 ( 0.771 -10.575 -1.032) 10.654 3.286 ( -1.915 3.524 3.778) 5.510 3.319 ( 0.926 4.236 1.150) 4.486 3.394 ( -0.978 2.730 -3.253) 4.358 3.489 ( 0.482 -6.698 -1.132) 6.810 3.555 ( -0.474 5.012 -0.508) 5.060 3.651 ( 0.271 -4.937 -1.429) 5.147 ======================= Grid point 334 (155/199) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 2.532 0.000 0.625) 2.608 0.485 ( 9.125 0.000 -0.466) 9.137 0.562 ( 7.174 0.000 1.421) 7.313 0.677 ( 2.555 0.000 0.437) 2.592 0.702 ( 1.252 0.000 0.715) 1.442 0.894 ( -1.247 -0.000 2.016) 2.370 0.956 ( -4.907 -0.000 5.711) 7.530 0.998 ( -2.085 -0.000 -0.181) 2.093 1.222 ( 2.647 0.000 -3.578) 4.451 1.336 ( 0.895 0.000 -3.049) 3.177 1.388 ( 0.623 0.000 -0.969) 1.151 1.726 ( -2.187 -0.000 2.598) 3.396 2.229 ( 2.405 0.000 -0.140) 2.409 2.271 ( 2.566 0.000 0.459) 2.606 2.742 ( -0.851 -0.000 -0.020) 0.852 2.749 ( 0.683 0.000 -0.109) 0.691 3.059 ( -1.627 -0.000 -0.351) 1.664 3.068 ( -1.341 -0.000 0.500) 1.431 3.233 ( 1.142 0.000 -0.559) 1.272 3.431 ( 0.332 0.000 1.132) 1.180 3.440 ( -0.057 -0.000 0.038) 0.069 3.774 ( 3.430 0.000 -2.503) 4.246 3.917 ( -0.422 -0.000 -1.368) 1.431 4.030 ( 4.244 0.000 0.531) 4.277 ======================= Grid point 335 (156/199) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 3.718 -1.902 1.098) 4.318 0.505 ( 5.900 0.812 0.900) 6.023 0.669 ( 0.100 -1.588 0.310) 1.621 0.733 ( 3.136 -7.334 -0.634) 8.002 0.848 ( 1.079 -11.392 0.977) 11.485 0.893 ( 0.630 -1.093 0.789) 1.488 0.944 ( -4.047 -1.110 5.931) 7.265 1.084 ( -1.661 -8.592 -0.138) 8.753 1.233 ( 2.652 -0.466 -3.153) 4.147 1.323 ( 0.321 0.870 -3.223) 3.354 1.385 ( 0.932 0.330 -0.690) 1.206 1.707 ( -0.578 1.063 2.182) 2.495 2.397 ( 0.220 -13.277 -0.272) 13.281 2.475 ( -0.168 -15.932 0.951) 15.961 2.740 ( -0.433 -0.607 0.270) 0.793 2.758 ( 0.141 -1.085 -0.494) 1.200 3.038 ( -1.170 1.323 0.251) 1.784 3.050 ( -1.754 0.423 0.193) 1.814 3.237 ( 0.951 0.170 -0.385) 1.040 3.415 ( 0.110 1.815 1.135) 2.143 3.445 ( -0.152 -0.385 -0.041) 0.416 3.720 ( 2.922 6.956 -2.242) 7.871 3.851 ( -0.657 6.228 -1.261) 6.388 3.988 ( 4.000 6.717 0.532) 7.836 ======================= Grid point 336 (157/199) ======================= q-point: ( 0.42 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 1.929 -4.317 1.258) 4.893 0.539 ( 1.597 -1.997 1.224) 2.835 0.706 ( 0.383 -2.727 -0.123) 2.757 0.818 ( -2.717 -1.343 0.056) 3.031 0.959 ( -1.410 -3.550 4.769) 6.110 0.998 ( -0.599 -7.462 0.222) 7.489 1.072 ( -0.058 -8.539 0.826) 8.579 1.234 ( 2.410 -3.285 -1.003) 4.196 1.289 ( -1.063 -3.984 -0.402) 4.143 1.307 ( 1.637 -3.208 -3.937) 5.336 1.391 ( 0.268 -0.921 -0.467) 1.067 1.690 ( -0.082 0.999 1.438) 1.753 2.577 ( -0.472 -3.100 -0.118) 3.138 2.662 ( -0.616 -0.856 0.075) 1.057 2.829 ( 0.571 -7.966 0.619) 8.011 2.842 ( -0.394 -7.410 -0.542) 7.441 3.027 ( -1.486 -3.083 0.349) 3.440 3.069 ( -2.961 -5.260 0.727) 6.079 3.235 ( 0.512 0.549 0.112) 0.759 3.365 ( -0.163 3.764 1.026) 3.904 3.453 ( -0.426 -0.581 -0.031) 0.721 3.548 ( 2.323 11.527 -2.223) 11.967 3.677 ( -0.427 10.724 -0.721) 10.757 3.843 ( 2.323 9.651 -0.006) 9.927 ======================= Grid point 337 (158/199) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -1.311 -2.782 0.362) 3.097 0.617 ( -1.180 -5.746 1.771) 6.128 0.763 ( -0.950 -2.260 -0.886) 2.606 0.823 ( -3.561 -2.601 2.069) 4.871 1.050 ( -0.312 -5.706 3.520) 6.712 1.122 ( -0.585 -4.770 -0.720) 4.860 1.178 ( 0.114 -3.298 0.452) 3.331 1.265 ( -0.339 -0.086 -0.911) 0.976 1.274 ( 1.537 0.631 -1.732) 2.400 1.429 ( 0.180 -2.815 -0.665) 2.898 1.464 ( -0.264 -6.945 -0.574) 6.974 1.670 ( -0.266 1.219 0.510) 1.348 2.569 ( 0.545 2.335 -0.445) 2.439 2.624 ( -0.523 3.420 0.345) 3.477 2.896 ( 1.061 -0.052 0.119) 1.069 2.909 ( 0.589 -0.536 0.341) 0.866 3.133 ( 0.304 4.472 0.957) 4.583 3.193 ( -2.210 -10.034 0.897) 10.313 3.239 ( 1.377 3.687 -1.094) 4.085 3.289 ( -2.700 -2.429 0.081) 3.633 3.336 ( -0.099 6.413 0.086) 6.414 3.467 ( -0.030 0.736 -0.660) 0.989 3.490 ( -0.403 5.559 -0.608) 5.606 3.677 ( 0.639 7.780 -0.491) 7.821 ======================= Grid point 338 (159/199) ======================= q-point: ( 0.58 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -1.718 -5.649 0.547) 5.930 0.718 ( -0.212 -3.625 1.174) 3.816 0.777 ( -4.261 -3.028 -0.666) 5.269 0.901 ( -1.588 -5.367 2.879) 6.294 1.141 ( 1.486 0.298 -0.378) 1.562 1.186 ( -0.303 -5.475 2.268) 5.934 1.208 ( -0.636 0.436 0.394) 0.866 1.275 ( -0.464 -2.216 -2.098) 3.087 1.301 ( 0.519 -3.441 -0.482) 3.513 1.474 ( -0.031 -1.651 0.117) 1.655 1.541 ( -0.687 -1.762 -0.802) 2.055 1.641 ( -0.359 1.615 -0.169) 1.663 2.499 ( 0.720 5.908 -0.450) 5.968 2.522 ( -0.188 7.436 0.308) 7.444 2.876 ( 0.729 3.209 0.608) 3.347 2.904 ( 0.817 1.948 0.240) 2.126 2.991 ( 0.325 5.315 0.380) 5.338 3.030 ( 0.155 9.780 -0.933) 9.825 3.281 ( -0.492 -0.425 1.345) 1.494 3.361 ( -0.630 -1.678 1.011) 2.058 3.403 ( -0.324 -4.085 -0.942) 4.205 3.429 ( -0.226 -4.366 -0.962) 4.477 3.492 ( -1.340 -1.459 -0.272) 1.999 3.570 ( 0.196 3.245 -0.772) 3.341 ======================= Grid point 339 (160/199) ======================= q-point: ( 0.67 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.934 -4.473 0.517) 4.598 0.751 ( -2.043 -3.491 0.063) 4.045 0.855 ( -1.249 -5.152 0.537) 5.329 0.991 ( -1.274 -3.594 1.866) 4.245 1.119 ( 1.921 1.653 1.081) 2.755 1.180 ( -2.103 0.733 -0.302) 2.248 1.276 ( -0.198 -2.313 0.329) 2.345 1.336 ( 0.316 -4.267 -0.109) 4.280 1.390 ( 0.686 -4.878 -0.030) 4.926 1.493 ( 0.341 -0.293 0.950) 1.051 1.538 ( -0.844 0.789 -1.650) 2.014 1.610 ( -0.089 1.285 -0.366) 1.339 2.348 ( -0.165 7.998 0.699) 8.030 2.368 ( 0.433 7.758 -1.072) 7.844 2.817 ( 0.452 2.406 0.519) 2.503 2.839 ( 0.301 3.416 -0.052) 3.430 2.933 ( -0.385 1.138 -0.260) 1.229 2.954 ( 0.135 1.401 0.159) 1.416 3.290 ( -0.256 -0.604 0.873) 1.092 3.338 ( -0.238 1.376 0.462) 1.471 3.465 ( 0.027 -0.544 0.641) 0.841 3.490 ( -0.566 -0.939 0.341) 1.148 3.527 ( 0.307 -3.219 -1.802) 3.702 3.567 ( 0.215 -2.858 -1.285) 3.141 ======================= Grid point 340 (161/199) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.037 -1.101 -0.324) 1.148 0.858 ( 0.098 -5.443 0.347) 5.455 0.926 ( -0.518 -2.194 1.327) 2.616 0.997 ( -0.565 1.828 -0.138) 1.918 1.109 ( 0.457 1.522 0.474) 1.658 1.195 ( -1.706 -3.384 2.272) 4.419 1.284 ( 0.962 1.365 0.065) 1.671 1.398 ( -0.219 -1.710 0.874) 1.933 1.472 ( 0.638 -1.054 -0.186) 1.246 1.481 ( -0.454 -0.173 -1.129) 1.229 1.537 ( 0.231 -1.692 -0.379) 1.749 1.586 ( 0.089 1.443 -0.253) 1.467 2.265 ( 0.596 0.192 0.301) 0.695 2.276 ( -0.388 0.672 -0.673) 1.027 2.787 ( -0.215 0.904 0.071) 0.932 2.803 ( 0.212 0.849 0.221) 0.903 2.929 ( -0.081 1.099 -0.026) 1.102 2.930 ( -0.039 -0.785 -0.035) 0.786 3.305 ( -0.214 -0.877 0.862) 1.248 3.318 ( -0.161 0.673 0.247) 0.734 3.460 ( -0.089 0.689 1.459) 1.616 3.493 ( -0.251 0.114 -0.033) 0.277 3.568 ( 0.409 -1.271 -2.508) 2.841 3.634 ( 0.571 -3.173 -0.945) 3.359 ======================= Grid point 341 (162/199) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.222 0.578 -0.273) 0.676 0.915 ( -1.152 0.876 0.674) 1.596 0.940 ( -0.906 -0.102 1.729) 1.954 0.972 ( 0.578 -0.550 -0.388) 0.887 1.064 ( -0.255 3.401 0.019) 3.411 1.236 ( -1.353 0.937 1.065) 1.960 1.244 ( 1.018 1.783 1.626) 2.619 1.409 ( -0.990 0.597 0.262) 1.185 1.433 ( -1.105 1.752 -1.672) 2.662 1.510 ( -0.719 -0.468 0.240) 0.891 1.546 ( 1.450 2.279 -0.371) 2.726 1.585 ( 0.774 -2.198 -0.025) 2.331 2.334 ( 0.284 -6.514 -0.322) 6.528 2.347 ( 0.167 -7.288 0.091) 7.290 2.794 ( -0.223 -2.001 0.282) 2.033 2.806 ( 0.157 -1.357 -0.098) 1.369 2.923 ( 0.100 -0.778 -0.049) 0.786 2.951 ( 0.218 -1.104 0.096) 1.129 3.302 ( -0.361 0.537 0.516) 0.828 3.335 ( -0.084 -1.857 0.543) 1.937 3.445 ( 0.145 1.260 1.648) 2.079 3.487 ( -0.138 0.310 -0.463) 0.574 3.576 ( -0.030 -0.081 -2.249) 2.250 3.671 ( -0.205 -0.490 -1.072) 1.197 ======================= Grid point 342 (163/199) ======================= q-point: (-0.08 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.650 4.165 0.410) 4.235 0.844 ( -3.154 5.305 0.119) 6.173 0.927 ( -1.442 1.924 2.254) 3.296 0.964 ( -0.241 4.925 0.324) 4.942 0.998 ( 1.439 -0.260 -0.899) 1.716 1.161 ( -0.254 4.677 3.009) 5.567 1.237 ( 0.380 0.725 -1.840) 2.014 1.356 ( -2.439 4.181 0.069) 4.841 1.387 ( -2.917 1.446 0.672) 3.324 1.467 ( 1.326 3.695 -1.070) 4.069 1.539 ( 1.201 1.287 -0.298) 1.786 1.626 ( 0.702 -1.609 0.309) 1.782 2.472 ( 0.498 -6.463 -0.437) 6.497 2.503 ( 0.263 -7.596 0.362) 7.609 2.835 ( -0.241 -2.095 0.059) 2.109 2.876 ( 0.929 -3.441 0.098) 3.565 2.982 ( 0.041 -6.383 -0.255) 6.389 2.997 ( 0.449 -5.651 0.169) 5.672 3.292 ( -0.469 0.329 0.736) 0.932 3.379 ( -0.656 -2.377 1.212) 2.748 3.420 ( 0.459 1.677 1.691) 2.425 3.460 ( -0.772 2.773 -2.370) 3.728 3.580 ( -0.005 -1.546 -0.781) 1.732 3.639 ( -1.472 3.121 -1.664) 3.831 ======================= Grid point 347 (164/199) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 3.878 0.000 1.998) 4.362 0.570 ( 5.718 0.000 -0.327) 5.727 0.630 ( 2.855 0.000 1.240) 3.113 0.698 ( -0.426 -0.000 -1.339) 1.405 0.711 ( 3.217 0.000 0.079) 3.218 0.904 ( 1.618 0.000 0.915) 1.859 0.927 ( -4.385 -0.000 7.037) 8.291 0.971 ( -2.392 -0.000 -0.210) 2.401 1.236 ( 2.073 0.000 -2.991) 3.640 1.327 ( 0.014 0.000 -3.809) 3.809 1.395 ( 1.013 0.000 -0.692) 1.227 1.718 ( -0.849 -0.000 2.386) 2.532 2.255 ( 2.110 0.000 -0.081) 2.111 2.302 ( 2.431 0.000 0.441) 2.471 2.730 ( -1.086 -0.000 -0.177) 1.100 2.758 ( 0.788 0.000 0.094) 0.794 3.043 ( -0.892 -0.000 -0.233) 0.922 3.055 ( -1.221 -0.000 0.596) 1.358 3.244 ( 0.970 0.000 -0.513) 1.098 3.436 ( -0.164 -0.000 1.142) 1.154 3.440 ( -0.043 -0.000 0.038) 0.057 3.801 ( 2.717 0.000 -2.092) 3.429 3.904 ( -0.764 -0.000 -1.500) 1.684 4.081 ( 3.920 0.000 0.690) 3.980 ======================= Grid point 348 (165/199) ======================= q-point: ( 0.42 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 3.757 -1.336 2.227) 4.567 0.573 ( 5.327 2.042 0.184) 5.708 0.658 ( -1.483 -1.955 -0.360) 2.480 0.745 ( -0.611 -5.133 -0.778) 5.227 0.867 ( 1.869 -9.695 0.695) 9.898 0.909 ( 1.230 -1.892 0.190) 2.265 0.925 ( -3.382 -1.336 6.656) 7.585 1.066 ( -1.298 -9.374 -0.098) 9.464 1.249 ( 1.713 -0.795 -2.116) 2.836 1.313 ( 0.457 0.681 -4.229) 4.308 1.393 ( 0.837 0.490 -0.629) 1.156 1.710 ( -0.245 0.820 1.995) 2.171 2.400 ( 0.451 -11.869 -0.216) 11.879 2.478 ( 0.202 -14.199 0.742) 14.220 2.734 ( -0.597 -1.494 0.091) 1.611 2.761 ( 0.434 -0.288 -0.173) 0.549 3.029 ( -0.550 1.191 0.316) 1.349 3.034 ( -1.161 0.893 0.235) 1.484 3.245 ( 0.723 0.255 -0.421) 0.875 3.418 ( -0.283 1.817 1.199) 2.195 3.443 ( -0.137 -0.300 0.017) 0.330 3.742 ( 2.335 7.073 -2.028) 7.720 3.837 ( -0.868 6.104 -1.216) 6.284 4.031 ( 2.975 7.200 0.489) 7.806 ======================= Grid point 349 (166/199) ======================= q-point: ( 0.50 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 2.429 -2.992 2.129) 4.403 0.563 ( 1.987 1.188 0.091) 2.317 0.703 ( -1.037 -3.845 0.443) 4.007 0.786 ( -2.558 -0.131 -0.305) 2.579 0.961 ( -1.474 -3.771 5.188) 6.581 0.991 ( -0.891 -6.930 0.190) 6.990 1.077 ( 0.389 -7.880 0.518) 7.907 1.249 ( 1.162 -6.006 -1.657) 6.338 1.280 ( -0.049 -1.127 -0.334) 1.176 1.311 ( 1.207 -4.250 -3.255) 5.487 1.392 ( 0.365 -0.498 -0.764) 0.983 1.693 ( -0.317 1.185 1.325) 1.806 2.572 ( -0.239 -3.439 -0.267) 3.458 2.656 ( -0.412 -0.979 0.256) 1.092 2.837 ( 0.381 -8.707 0.296) 8.720 2.840 ( 0.180 -7.891 -0.076) 7.893 3.016 ( -0.754 -2.254 0.566) 2.443 3.044 ( -1.602 -4.328 0.318) 4.625 3.240 ( 0.432 0.635 -0.138) 0.780 3.365 ( -0.558 3.931 1.240) 4.160 3.450 ( -0.186 -0.342 0.097) 0.401 3.564 ( 1.774 11.776 -2.198) 12.110 3.669 ( -0.572 10.304 -0.650) 10.340 3.864 ( 1.437 10.615 -0.082) 10.712 ======================= Grid point 350 (167/199) ======================= q-point: ( 0.58 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.139 -0.828 0.040) 0.841 0.611 ( -0.767 -5.388 1.503) 5.646 0.753 ( -0.517 0.752 -0.685) 1.141 0.797 ( -2.175 -5.087 2.729) 6.170 1.060 ( -0.114 -6.070 3.574) 7.045 1.103 ( -1.916 -4.851 0.084) 5.216 1.186 ( 0.517 -3.841 0.230) 3.883 1.257 ( 1.190 0.966 -3.579) 3.894 1.289 ( 0.911 0.797 -0.480) 1.302 1.426 ( -0.351 -3.125 0.017) 3.145 1.460 ( 0.213 -6.474 -1.009) 6.556 1.667 ( -0.600 1.403 0.699) 1.678 2.574 ( 0.314 1.955 -0.312) 2.004 2.620 ( -0.316 3.395 0.204) 3.415 2.904 ( 0.302 -0.001 0.008) 0.302 2.919 ( 0.678 -0.647 0.473) 1.050 3.144 ( 0.526 3.999 1.451) 4.286 3.173 ( -1.447 -10.514 0.489) 10.625 3.251 ( 1.038 -2.253 -0.226) 2.491 3.260 ( -1.673 3.251 -1.168) 3.839 3.335 ( -0.146 7.264 0.265) 7.271 3.467 ( 0.297 0.182 -0.213) 0.408 3.485 ( 0.010 6.342 -0.953) 6.413 3.681 ( 0.395 8.222 -0.564) 8.251 ======================= Grid point 351 (168/199) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.994 -6.033 0.316) 6.122 0.721 ( 0.040 -3.828 0.945) 3.943 0.741 ( -1.099 -2.504 -0.306) 2.752 0.896 ( -1.211 -5.329 3.157) 6.312 1.143 ( -0.904 -0.603 0.263) 1.118 1.186 ( -0.474 -4.655 1.485) 4.909 1.214 ( 0.456 0.717 1.235) 1.499 1.263 ( 0.072 -2.540 -2.408) 3.501 1.309 ( 1.531 -3.417 -1.458) 4.018 1.474 ( 0.039 -1.864 0.156) 1.871 1.534 ( -0.105 -1.435 -0.614) 1.564 1.635 ( -0.620 1.567 0.254) 1.704 2.500 ( -0.598 6.319 0.168) 6.349 2.524 ( 0.669 6.947 -0.337) 6.987 2.879 ( -0.273 2.769 0.303) 2.799 2.917 ( 0.560 2.292 0.494) 2.410 2.996 ( 0.084 6.222 0.440) 6.238 3.024 ( -0.440 9.251 -0.892) 9.305 3.281 ( -0.226 -0.370 1.276) 1.348 3.358 ( -0.680 -2.314 1.217) 2.702 3.396 ( -0.369 -4.515 -0.468) 4.554 3.426 ( 0.773 -4.090 -1.560) 4.445 3.487 ( 0.625 -1.033 -0.424) 1.280 3.570 ( 0.451 3.256 -0.885) 3.404 ======================= Grid point 352 (169/199) ======================= q-point: (-0.25 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.860 -2.245 -0.673) 2.496 0.744 ( 2.818 -5.364 0.700) 6.099 0.851 ( 0.045 -5.332 0.911) 5.409 0.986 ( -1.032 -3.329 2.302) 4.177 1.135 ( -0.288 0.786 -0.022) 0.838 1.158 ( -1.010 1.111 1.173) 1.905 1.280 ( 0.864 -2.162 0.045) 2.329 1.339 ( 0.259 -4.637 -0.260) 4.651 1.396 ( 0.690 -4.584 -0.646) 4.681 1.503 ( 0.558 -0.965 0.838) 1.395 1.524 ( -0.390 1.547 -1.191) 1.991 1.606 ( -0.332 1.091 -0.106) 1.145 2.347 ( -0.329 7.462 0.693) 7.501 2.368 ( 0.347 8.277 -1.088) 8.356 2.819 ( -0.453 2.553 0.393) 2.623 2.839 ( -0.362 3.297 -0.043) 3.317 2.930 ( 0.106 1.065 -0.041) 1.071 2.955 ( -0.043 1.496 0.058) 1.498 3.292 ( 0.028 -0.586 0.744) 0.948 3.337 ( -0.322 1.380 0.562) 1.525 3.459 ( -1.316 -1.277 0.896) 2.041 3.488 ( 0.075 -0.712 0.348) 0.796 3.533 ( 1.870 -2.629 -2.024) 3.809 3.569 ( 1.021 -2.874 -1.445) 3.375 ======================= Grid point 353 (170/199) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.330 -0.917 -0.166) 0.989 0.864 ( 0.684 -4.513 0.137) 4.567 0.923 ( -0.872 -2.172 1.439) 2.748 0.991 ( -0.386 1.554 0.415) 1.655 1.109 ( -0.509 1.744 0.061) 1.818 1.185 ( -1.378 -3.003 2.726) 4.284 1.304 ( 2.380 0.709 -0.625) 2.561 1.395 ( -1.075 -1.280 0.932) 1.914 1.469 ( -0.744 1.773 -1.176) 2.254 1.477 ( 0.092 -2.012 0.006) 2.014 1.541 ( 0.689 -2.280 -0.437) 2.422 1.585 ( -0.123 1.179 -0.281) 1.218 2.269 ( -0.381 0.519 -0.468) 0.796 2.274 ( 0.793 0.198 -0.012) 0.818 2.783 ( -0.503 0.752 0.278) 0.947 2.802 ( -0.451 0.787 -0.103) 0.912 2.929 ( 0.143 0.965 0.068) 0.978 2.933 ( 0.498 -0.731 0.049) 0.886 3.306 ( -0.059 -0.622 0.851) 1.056 3.317 ( -0.215 0.481 0.299) 0.606 3.462 ( -0.454 0.259 1.074) 1.194 3.492 ( 0.081 0.179 0.202) 0.282 3.566 ( 0.809 -0.723 -2.076) 2.343 3.634 ( 0.150 -2.788 -1.230) 3.051 ======================= Grid point 354 (171/199) ======================= q-point: (-0.08 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.292 0.871 0.098) 0.924 0.890 ( -3.288 1.487 -0.023) 3.609 0.934 ( -1.403 0.265 2.042) 2.491 0.985 ( 1.871 -0.866 -0.206) 2.072 1.057 ( -1.060 3.553 0.347) 3.724 1.223 ( -1.180 -1.242 0.609) 1.818 1.267 ( 1.438 4.405 1.941) 5.024 1.392 ( -2.130 0.923 -0.045) 2.321 1.409 ( -1.920 2.568 -0.675) 3.277 1.503 ( -0.556 0.031 0.019) 0.557 1.562 ( 1.384 0.883 -0.482) 1.711 1.593 ( 0.888 -2.357 -0.612) 2.592 2.335 ( 0.231 -6.950 -0.284) 6.959 2.353 ( 0.652 -7.049 -0.054) 7.079 2.793 ( -0.220 -1.505 0.366) 1.565 2.807 ( 0.354 -2.424 -0.237) 2.462 2.926 ( 0.377 -0.692 0.037) 0.789 2.954 ( 0.271 -1.009 -0.021) 1.045 3.300 ( -0.466 0.553 0.692) 1.001 3.336 ( -0.047 -1.706 0.497) 1.778 3.450 ( -0.036 1.026 0.739) 1.265 3.486 ( 0.135 0.642 -0.011) 0.656 3.568 ( -0.203 0.173 -1.441) 1.465 3.657 ( -1.491 0.003 -1.311) 1.985 ======================= Grid point 360 (172/199) ======================= q-point: ( 0.42 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 3.350 0.000 1.996) 3.899 0.613 ( 2.036 0.000 0.012) 2.036 0.628 ( -2.272 -0.000 0.664) 2.367 0.704 ( 1.394 0.000 -1.366) 1.952 0.749 ( 3.120 0.000 -0.386) 3.144 0.908 ( -3.457 -0.000 7.398) 8.166 0.926 ( 1.384 0.000 0.557) 1.492 0.944 ( -2.033 -0.000 -0.166) 2.040 1.245 ( 0.647 0.000 -1.396) 1.538 1.315 ( 1.174 0.000 -5.289) 5.418 1.403 ( 0.690 0.000 -0.672) 0.963 1.722 ( -0.156 -0.000 2.005) 2.011 2.275 ( 1.224 0.000 -0.042) 1.224 2.327 ( 1.526 0.000 0.358) 1.568 2.718 ( -0.776 -0.000 -0.130) 0.787 2.766 ( 0.523 0.000 0.120) 0.536 3.038 ( -0.037 -0.000 -0.114) 0.120 3.045 ( -0.894 -0.000 0.611) 1.083 3.251 ( 0.607 0.000 -0.518) 0.799 3.437 ( -0.464 -0.000 1.224) 1.309 3.439 ( -0.023 -0.000 0.035) 0.042 3.821 ( 1.958 0.000 -1.916) 2.739 3.889 ( -0.878 -0.000 -1.264) 1.539 4.120 ( 2.368 0.000 0.557) 2.433 ======================= Grid point 361 (173/199) ======================= q-point: ( 0.50 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 2.417 -1.104 1.990) 3.320 0.611 ( 0.289 -0.279 0.185) 0.442 0.654 ( 1.804 0.681 -0.294) 1.950 0.718 ( -3.105 -4.778 -0.540) 5.724 0.892 ( 1.722 -8.593 0.369) 8.772 0.914 ( -1.034 -1.535 1.448) 2.350 0.917 ( -1.910 -1.981 5.551) 6.196 1.056 ( -0.332 -9.829 -0.148) 9.835 1.253 ( -0.293 -0.983 -0.577) 1.177 1.309 ( 2.256 0.520 -5.680) 6.133 1.399 ( 0.474 0.558 -0.639) 0.972 1.715 ( -0.119 0.917 1.642) 1.885 2.404 ( 0.310 -11.076 -0.240) 11.083 2.483 ( 0.118 -13.201 0.566) 13.213 2.728 ( -0.385 -1.931 0.088) 1.971 2.765 ( 0.347 -0.058 -0.113) 0.370 3.025 ( -0.629 1.289 0.508) 1.522 3.028 ( 0.185 0.990 0.010) 1.007 3.250 ( 0.405 0.274 -0.489) 0.692 3.418 ( -0.564 1.846 1.352) 2.357 3.442 ( -0.045 -0.285 0.029) 0.290 3.757 ( 1.460 7.136 -2.057) 7.569 3.824 ( -0.757 5.988 -0.787) 6.087 4.057 ( 1.235 7.521 0.272) 7.627 ======================= Grid point 362 (174/199) ======================= q-point: (-0.42 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 1.322 -2.940 1.808) 3.695 0.574 ( -0.298 3.667 -0.604) 3.728 0.688 ( -2.054 -5.019 1.671) 5.675 0.767 ( -0.088 -0.023 -0.253) 0.269 0.965 ( -1.170 -4.214 5.124) 6.737 0.981 ( -0.815 -6.210 0.369) 6.275 1.082 ( 0.202 -7.606 0.249) 7.612 1.252 ( 0.708 -6.162 -2.035) 6.528 1.281 ( 0.116 -3.210 -0.011) 3.212 1.310 ( 0.772 -2.299 -3.072) 3.914 1.394 ( 0.676 -0.495 -1.108) 1.390 1.693 ( -0.423 1.450 1.284) 1.982 2.570 ( 0.230 -3.505 -0.390) 3.535 2.654 ( -0.245 -0.996 0.401) 1.101 2.838 ( -0.215 -9.267 0.053) 9.270 2.845 ( 0.597 -7.942 -0.060) 7.964 3.014 ( 0.004 -1.787 0.584) 1.880 3.035 ( -0.107 -3.985 0.152) 3.989 3.244 ( 0.366 0.584 -0.390) 0.792 3.362 ( -0.771 4.056 1.516) 4.398 3.449 ( 0.071 -0.329 0.061) 0.342 3.570 ( 0.651 11.979 -2.189) 12.194 3.662 ( -0.219 9.971 -0.339) 9.979 3.874 ( 0.265 11.013 -0.247) 11.019 ======================= Grid point 363 (175/199) ======================= q-point: (-0.33 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.777 -0.925 -0.407) 1.275 0.615 ( 0.688 -5.226 1.183) 5.402 0.741 ( -1.654 -0.006 0.907) 1.887 0.798 ( 0.876 -4.503 2.040) 5.020 1.065 ( -2.046 -5.866 3.065) 6.927 1.093 ( 0.481 -4.795 1.102) 4.944 1.187 ( -0.022 -3.830 -0.420) 3.853 1.268 ( 2.641 1.271 -3.708) 4.726 1.288 ( -0.416 0.281 -0.690) 0.853 1.422 ( -0.494 -3.730 0.255) 3.771 1.462 ( 0.847 -5.861 -1.071) 6.018 1.663 ( -0.750 1.586 1.117) 2.080 2.572 ( -0.364 2.096 -0.191) 2.135 2.621 ( 0.407 3.242 0.095) 3.268 2.904 ( -0.268 0.213 0.008) 0.342 2.924 ( -0.186 -0.809 0.086) 0.834 3.143 ( -1.418 -0.415 1.440) 2.064 3.177 ( 1.748 -5.050 0.382) 5.357 3.238 ( -1.442 0.565 -0.300) 1.577 3.267 ( 1.942 -0.498 -0.793) 2.156 3.334 ( -0.317 7.361 0.348) 7.376 3.471 ( 0.457 -0.789 -0.300) 0.960 3.483 ( 0.512 7.038 -1.059) 7.136 3.682 ( 0.185 8.235 -0.659) 8.264 ======================= Grid point 364 (176/199) ======================= q-point: (-0.25 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 2.154 -6.016 -0.865) 6.448 0.725 ( 0.266 -2.884 0.451) 2.931 0.756 ( 3.353 -3.690 1.182) 5.124 0.897 ( -0.727 -5.095 3.187) 6.054 1.125 ( -2.565 -1.333 0.478) 2.930 1.191 ( 0.208 -1.291 1.329) 1.865 1.220 ( -0.330 -2.282 1.789) 2.918 1.262 ( 1.301 -2.420 -2.465) 3.691 1.325 ( 2.370 -3.119 -2.357) 4.572 1.474 ( -0.145 -2.084 -0.015) 2.089 1.536 ( 0.717 -1.274 -0.209) 1.477 1.629 ( -0.795 1.557 0.851) 1.944 2.490 ( -1.124 6.286 0.347) 6.395 2.531 ( 0.712 7.034 -0.520) 7.089 2.876 ( -0.545 2.679 0.498) 2.779 2.914 ( -1.040 2.492 -0.345) 2.722 2.994 ( -0.494 6.936 0.166) 6.956 3.019 ( -0.189 8.085 -0.069) 8.088 3.285 ( -0.032 -0.326 1.151) 1.197 3.356 ( -0.348 -2.412 1.117) 2.681 3.390 ( -0.525 -3.073 -0.007) 3.118 3.437 ( 2.054 -4.076 -1.367) 4.765 3.500 ( 1.898 -1.717 -0.893) 2.711 3.574 ( 0.873 3.050 -1.159) 3.377 ======================= Grid point 365 (177/199) ======================= q-point: (-0.17 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.795 -2.702 -0.776) 2.922 0.782 ( 3.012 -4.507 0.210) 5.425 0.865 ( 1.689 -3.830 1.495) 4.445 0.985 ( -0.682 -2.892 2.438) 3.844 1.111 ( -2.665 0.107 -0.707) 2.759 1.168 ( 0.706 0.852 2.057) 2.335 1.295 ( 1.296 -2.250 0.615) 2.668 1.340 ( 0.422 -4.405 -0.938) 4.523 1.401 ( 0.819 -3.941 -1.395) 4.260 1.505 ( -0.131 -1.177 -0.895) 1.484 1.527 ( 0.787 2.029 0.965) 2.380 1.601 ( -0.593 0.993 0.188) 1.172 2.345 ( -0.545 6.953 0.567) 6.997 2.368 ( 0.261 8.476 -0.974) 8.536 2.810 ( -1.086 2.638 0.200) 2.859 2.832 ( -0.773 3.013 -0.008) 3.111 2.934 ( 0.382 0.811 0.160) 0.911 2.954 ( -0.250 1.369 -0.008) 1.392 3.296 ( 0.206 -0.581 0.602) 0.862 3.335 ( -0.365 1.430 0.682) 1.626 3.446 ( -1.442 -1.833 0.804) 2.467 3.492 ( 0.207 -0.516 0.408) 0.690 3.552 ( 2.754 -1.400 -1.929) 3.642 3.579 ( 1.562 -2.716 -1.649) 3.541 ======================= Grid point 366 (178/199) ======================= q-point: (-0.08 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.444 -0.602 -0.112) 0.756 0.873 ( 0.541 -2.184 0.132) 2.254 0.919 ( -0.773 -1.461 1.463) 2.207 0.991 ( 0.099 0.692 0.574) 0.904 1.100 ( -1.118 1.108 0.377) 1.618 1.184 ( -0.573 -1.699 2.271) 2.893 1.330 ( 2.461 -0.072 -0.902) 2.622 1.380 ( -1.885 -0.257 0.995) 2.147 1.458 ( -0.439 2.146 -0.662) 2.288 1.475 ( -0.164 -1.571 -0.268) 1.602 1.548 ( 0.773 -2.315 -0.610) 2.516 1.582 ( -0.229 0.823 -0.175) 0.872 2.263 ( -0.316 0.433 -0.397) 0.667 2.282 ( 0.663 -0.041 -0.152) 0.682 2.779 ( -0.412 0.211 0.445) 0.642 2.795 ( -0.534 0.687 -0.336) 0.933 2.931 ( 0.205 0.728 0.119) 0.765 2.940 ( 0.464 -0.622 0.106) 0.783 3.309 ( -0.118 0.034 0.888) 0.896 3.316 ( -0.161 -0.073 0.327) 0.372 3.458 ( -0.654 -0.208 0.630) 0.932 3.495 ( 0.220 0.159 0.432) 0.510 3.571 ( 1.193 0.109 -1.718) 2.094 3.629 ( -0.142 -1.748 -1.419) 2.256 ======================= Grid point 373 (179/199) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 1.515 0.000 0.905) 1.765 0.609 ( -1.206 -0.000 0.765) 1.428 0.622 ( -0.481 -0.000 0.350) 0.595 0.702 ( -1.234 -0.000 -0.191) 1.248 0.770 ( 0.445 0.000 -0.689) 0.820 0.903 ( -2.370 -0.000 7.524) 7.888 0.929 ( -0.163 -0.000 -0.008) 0.163 0.935 ( -0.154 -0.000 0.299) 0.336 1.240 ( -0.763 -0.000 -0.593) 0.966 1.318 ( 2.928 0.000 -6.008) 6.683 1.406 ( 0.310 0.000 -0.701) 0.767 1.728 ( 0.033 0.000 1.477) 1.478 2.282 ( 0.014 0.000 -0.029) 0.033 2.338 ( 0.021 0.000 0.253) 0.254 2.712 ( -0.100 -0.000 -0.032) 0.105 2.770 ( 0.076 0.000 0.059) 0.096 3.036 ( -0.398 -0.000 0.224) 0.457 3.044 ( 0.590 0.000 0.115) 0.601 3.254 ( 0.182 0.000 -0.533) 0.564 3.435 ( -0.641 -0.000 1.389) 1.530 3.439 ( -0.006 -0.000 0.031) 0.031 3.830 ( 0.824 0.000 -2.125) 2.279 3.877 ( -0.504 -0.000 -0.527) 0.730 4.137 ( 0.258 0.000 0.241) 0.353 ======================= Grid point 374 (180/199) ======================= q-point: (-0.42 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.187 -1.095 0.316) 1.155 0.605 ( -0.949 -1.470 1.055) 2.043 0.643 ( -4.839 2.534 0.464) 5.482 0.708 ( 1.922 -5.661 0.216) 5.982 0.895 ( -1.899 -7.853 0.806) 8.119 0.909 ( -0.104 -2.560 0.921) 2.722 0.920 ( -1.199 -1.734 5.372) 5.771 1.057 ( 0.574 -9.910 -0.167) 9.928 1.241 ( -1.042 -0.898 -0.746) 1.565 1.320 ( 3.032 0.523 -5.442) 6.251 1.400 ( 0.181 0.518 -0.727) 0.911 1.720 ( -0.079 1.079 1.235) 1.642 2.405 ( 0.041 -11.142 -0.328) 11.147 2.485 ( -0.132 -13.171 0.427) 13.179 2.727 ( 0.047 -1.894 0.203) 1.905 2.767 ( 0.059 -0.190 -0.256) 0.324 3.023 ( -0.075 1.008 0.383) 1.081 3.033 ( 0.721 1.322 -0.109) 1.509 3.251 ( 0.091 0.203 -0.573) 0.615 3.416 ( -0.743 1.871 1.558) 2.545 3.442 ( 0.030 -0.307 0.016) 0.309 3.758 ( 0.008 7.178 -2.264) 7.527 3.817 ( -0.022 5.900 -0.053) 5.900 4.060 ( -0.740 7.568 -0.046) 7.605 ======================= Grid point 375 (181/199) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -2.564 -2.133 -0.688) 3.405 0.563 ( -0.434 1.213 0.454) 1.367 0.669 ( -2.771 -4.384 3.352) 6.175 0.785 ( 2.940 -0.669 -0.179) 3.020 0.966 ( -2.157 -3.689 4.437) 6.160 0.980 ( 0.212 -6.913 1.240) 7.026 1.085 ( 0.486 -7.763 -0.298) 7.784 1.248 ( -0.479 -4.631 -1.390) 4.859 1.281 ( -0.298 -7.745 0.177) 7.753 1.308 ( 1.270 1.102 -3.537) 3.916 1.399 ( 0.947 -0.904 -1.421) 1.932 1.693 ( -0.416 1.687 1.289) 2.163 2.574 ( 0.732 -3.197 -0.513) 3.320 2.653 ( -0.132 -1.151 0.533) 1.275 2.833 ( -0.693 -9.125 0.229) 9.154 2.852 ( 0.746 -7.420 -0.695) 7.490 3.019 ( 0.575 -1.678 0.341) 1.806 3.044 ( 1.639 -4.838 0.243) 5.114 3.246 ( 0.336 0.374 -0.651) 0.823 3.359 ( -0.886 4.110 1.788) 4.569 3.452 ( 0.267 -0.519 -0.054) 0.586 3.562 ( -0.672 12.039 -2.039) 12.229 3.662 ( 0.359 9.881 -0.024) 9.888 3.869 ( -0.900 10.762 -0.471) 10.810 ======================= Grid point 376 (182/199) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 1.776 -2.764 -0.698) 3.359 0.633 ( 1.478 -5.602 0.532) 5.818 0.728 ( -1.387 -2.829 2.699) 4.148 0.827 ( 2.809 -2.327 1.133) 3.820 1.043 ( -3.225 -4.793 2.914) 6.470 1.112 ( 1.457 -5.516 1.301) 5.851 1.188 ( 0.666 -3.170 -0.939) 3.373 1.266 ( -1.468 1.428 -0.431) 2.092 1.297 ( 3.208 -1.305 -3.747) 5.102 1.416 ( -0.706 -4.066 0.253) 4.135 1.470 ( 1.022 -5.570 -0.945) 5.741 1.659 ( -0.769 1.761 1.562) 2.476 2.566 ( -0.501 2.652 -0.132) 2.702 2.627 ( 0.480 3.060 0.079) 3.098 2.898 ( -0.768 0.238 -0.085) 0.808 2.917 ( -0.857 -0.721 -0.251) 1.148 3.134 ( -0.910 -0.238 0.997) 1.370 3.200 ( 1.391 0.348 0.986) 1.740 3.224 ( -0.435 -0.109 -0.935) 1.037 3.293 ( 2.652 -3.673 0.143) 4.533 3.331 ( -0.275 6.419 0.293) 6.432 3.474 ( 0.542 -0.577 -0.992) 1.269 3.489 ( 1.065 6.206 -0.728) 6.339 3.680 ( 0.051 7.776 -0.822) 7.820 ======================= Grid point 377 (183/199) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 3.934 -5.472 -0.949) 6.806 0.730 ( 0.495 -3.356 0.109) 3.394 0.815 ( 5.374 -4.063 1.651) 6.937 0.903 ( -0.163 -4.625 3.025) 5.529 1.089 ( -3.858 -1.234 0.540) 4.086 1.197 ( -0.296 1.076 1.469) 1.845 1.223 ( 0.066 -5.173 1.058) 5.280 1.276 ( 2.568 -2.554 -1.852) 4.068 1.345 ( 2.872 -2.431 -2.920) 4.763 1.471 ( -0.327 -2.258 -0.021) 2.281 1.545 ( 0.774 -1.443 0.010) 1.638 1.624 ( -0.936 1.672 1.473) 2.417 2.478 ( -1.019 6.172 0.379) 6.267 2.535 ( 0.133 7.308 -0.529) 7.328 2.869 ( -0.941 2.791 0.292) 2.960 2.896 ( -1.497 2.708 -0.431) 3.125 2.987 ( -0.694 6.334 0.026) 6.372 3.017 ( -0.280 7.614 0.325) 7.626 3.289 ( 0.005 -0.331 1.020) 1.073 3.358 ( 0.066 -2.357 0.861) 2.510 3.385 ( -0.524 -1.214 0.498) 1.413 3.460 ( 2.405 -3.377 -1.179) 4.310 3.522 ( 2.644 -2.771 -0.967) 3.950 3.582 ( 1.536 2.588 -1.715) 3.463 ======================= Grid point 378 (184/199) ======================= q-point: (-0.08 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 1.817 -1.784 -0.464) 2.589 0.812 ( 2.588 -4.510 -0.191) 5.203 0.896 ( 2.314 -1.744 1.811) 3.417 0.989 ( -0.070 -2.043 2.130) 2.952 1.078 ( -2.539 -1.114 -0.580) 2.832 1.183 ( 0.528 0.549 1.895) 2.042 1.307 ( -0.485 -2.677 1.728) 3.223 1.349 ( 2.312 -3.216 -1.918) 4.401 1.406 ( 1.206 -3.145 -2.016) 3.926 1.500 ( 0.059 -0.658 -0.917) 1.131 1.541 ( 0.744 1.620 1.407) 2.271 1.594 ( -0.977 0.956 0.449) 1.439 2.339 ( -0.686 6.766 0.393) 6.812 2.367 ( 0.062 8.188 -0.765) 8.224 2.798 ( -0.970 2.360 0.116) 2.554 2.823 ( -0.813 2.859 0.037) 2.973 2.938 ( 0.016 0.431 0.074) 0.438 2.951 ( -0.221 1.228 0.123) 1.254 3.300 ( 0.204 -0.605 0.458) 0.786 3.334 ( -0.348 1.556 0.762) 1.768 3.434 ( -1.085 -1.966 0.906) 2.422 3.495 ( 0.087 -0.331 0.316) 0.466 3.578 ( 2.797 -0.164 -2.552) 3.790 3.593 ( 2.068 -2.377 -1.135) 3.349 ======================= Grid point 386 (185/199) ======================= q-point: (-0.42 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -1.142 -0.000 -1.294) 1.726 0.605 ( -2.999 -0.000 0.707) 3.081 0.608 ( -0.277 -0.000 3.187) 3.199 0.678 ( -2.775 -0.000 0.433) 2.809 0.754 ( -2.287 -0.000 -0.789) 2.419 0.907 ( -1.954 -0.000 7.078) 7.343 0.928 ( -1.099 -0.000 0.631) 1.268 0.941 ( 1.893 0.000 0.103) 1.896 1.228 ( -0.558 -0.000 -1.282) 1.398 1.333 ( 3.119 0.000 -5.363) 6.204 1.405 ( 0.098 0.000 -0.820) 0.826 1.733 ( 0.082 0.000 0.932) 0.936 2.275 ( -1.177 -0.000 -0.049) 1.178 2.330 ( -1.498 -0.000 0.152) 1.506 2.715 ( 0.573 0.000 0.088) 0.580 2.768 ( -0.414 -0.000 -0.049) 0.416 3.034 ( -0.005 -0.000 0.189) 0.189 3.054 ( 1.114 0.000 -0.187) 1.130 3.252 ( -0.183 -0.000 -0.576) 0.605 3.433 ( -0.766 -0.000 1.596) 1.771 3.439 ( 0.012 0.000 0.026) 0.029 3.821 ( -0.760 -0.000 -2.298) 2.421 3.876 ( 0.383 0.000 0.235) 0.449 4.128 ( -1.929 -0.000 -0.155) 1.935 ======================= Grid point 387 (186/199) ======================= q-point: (-0.33 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -3.512 -0.872 -1.852) 4.065 0.577 ( -5.083 1.248 -0.239) 5.240 0.608 ( -1.425 -0.993 4.872) 5.172 0.729 ( 0.907 -6.414 0.347) 6.487 0.875 ( -1.694 -8.603 0.392) 8.777 0.903 ( -1.367 -2.499 0.626) 2.916 0.928 ( -1.035 -1.761 5.778) 6.128 1.067 ( 1.297 -9.535 -0.121) 9.623 1.227 ( -0.717 -0.561 -1.466) 1.726 1.333 ( 2.413 0.759 -4.557) 5.212 1.398 ( 0.218 0.363 -1.085) 1.164 1.723 ( -0.062 1.208 0.841) 1.474 2.403 ( -0.203 -12.011 -0.426) 12.021 2.485 ( 0.155 -14.155 0.166) 14.157 2.731 ( 0.386 -1.489 0.334) 1.574 2.765 ( -0.186 -0.606 -0.463) 0.785 3.026 ( 0.517 0.686 0.313) 0.914 3.043 ( 1.090 1.487 -0.286) 1.866 3.248 ( -0.133 0.052 -0.705) 0.719 3.413 ( -0.861 1.888 1.750) 2.714 3.443 ( 0.057 -0.347 0.000) 0.351 3.741 ( -1.310 7.120 -2.154) 7.553 3.822 ( 0.607 5.926 0.410) 5.971 4.040 ( -2.585 7.304 -0.399) 7.758 ======================= Grid point 388 (187/199) ======================= q-point: (-0.25 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -3.322 -3.474 -0.735) 4.863 0.562 ( -0.065 -2.211 -0.736) 2.331 0.653 ( -2.796 -3.361 4.980) 6.627 0.823 ( 3.645 -1.613 -0.431) 4.009 0.952 ( -2.836 -3.555 3.656) 5.835 0.989 ( 0.164 -7.456 2.104) 7.748 1.093 ( 1.147 -8.595 -0.541) 8.688 1.229 ( -2.024 -2.721 -0.747) 3.472 1.275 ( -0.758 -8.295 -0.109) 8.330 1.315 ( 2.141 0.684 -3.434) 4.105 1.404 ( 0.913 -1.279 -1.728) 2.336 1.693 ( -0.458 1.821 1.187) 2.222 2.582 ( 0.985 -2.647 -0.660) 2.901 2.655 ( 0.020 -1.230 0.706) 1.418 2.825 ( -1.012 -8.447 0.455) 8.520 2.858 ( 1.079 -6.316 -1.332) 6.545 3.029 ( 1.023 -1.986 0.198) 2.243 3.075 ( 3.529 -6.472 0.113) 7.372 3.247 ( 0.389 0.003 -0.949) 1.026 3.355 ( -0.976 4.079 1.968) 4.633 3.454 ( 0.285 -0.847 -0.201) 0.916 3.541 ( -1.511 11.922 -1.649) 12.130 3.668 ( 0.575 9.999 0.126) 10.016 3.850 ( -1.822 9.895 -0.735) 10.088 ======================= Grid point 389 (188/199) ======================= q-point: (-0.17 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 2.864 -5.168 -0.553) 5.934 0.646 ( 0.749 -5.298 -0.227) 5.355 0.736 ( 0.700 -6.169 3.501) 7.128 0.867 ( 3.324 -1.016 0.753) 3.557 1.015 ( -3.620 -3.932 3.090) 6.173 1.131 ( 1.135 -5.610 0.456) 5.742 1.192 ( 0.020 -1.893 -0.063) 1.895 1.251 ( -0.092 -0.935 -1.260) 1.571 1.319 ( 2.780 -2.082 -3.175) 4.706 1.408 ( -0.874 -4.056 0.080) 4.150 1.476 ( 0.665 -5.429 -0.807) 5.529 1.656 ( -0.771 1.866 1.753) 2.674 2.561 ( -0.185 3.213 -0.100) 3.220 2.630 ( -0.035 3.146 0.106) 3.148 2.885 ( -1.247 0.011 -0.308) 1.285 2.907 ( -0.554 -0.228 -0.105) 0.608 3.130 ( -0.349 2.116 0.842) 2.303 3.204 ( -0.887 8.470 0.412) 8.526 3.230 ( 1.532 -6.359 -0.283) 6.547 3.317 ( 0.057 2.502 1.322) 2.830 3.341 ( 2.981 -2.636 -0.495) 4.010 3.477 ( 0.735 0.473 -1.583) 1.809 3.502 ( 1.449 4.242 -0.528) 4.514 3.677 ( 0.001 6.893 -1.110) 6.982 ======================= Grid point 390 (189/199) ======================= q-point: (-0.08 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 3.481 -4.774 -0.228) 5.913 0.744 ( 2.627 -4.477 -0.278) 5.198 0.881 ( 4.703 -3.227 1.509) 5.900 0.915 ( 0.299 -4.666 2.748) 5.423 1.044 ( -4.104 -0.980 0.506) 4.250 1.193 ( -1.287 -0.201 1.801) 2.222 1.229 ( 0.702 -4.251 -0.307) 4.319 1.305 ( 3.384 -3.088 -1.387) 4.786 1.368 ( 2.981 -1.750 -2.951) 4.545 1.467 ( -0.545 -2.621 0.126) 2.680 1.550 ( 0.061 -1.741 0.022) 1.742 1.619 ( -0.973 1.913 1.889) 2.859 2.470 ( -0.654 6.222 0.385) 6.268 2.530 ( -0.556 7.464 -0.492) 7.501 2.855 ( -1.271 2.910 -0.474) 3.211 2.883 ( -0.860 2.629 0.552) 2.820 2.980 ( -0.510 6.020 0.054) 6.042 3.013 ( -0.582 7.074 0.207) 7.101 3.292 ( -0.028 -0.344 0.869) 0.935 3.364 ( 0.425 -2.390 0.851) 2.573 3.382 ( -0.425 0.339 0.910) 1.060 3.479 ( 1.666 -2.045 -1.360) 2.968 3.551 ( 2.551 -3.262 -0.583) 4.182 3.597 ( 2.534 1.585 -2.432) 3.853 ======================= Grid point 399 (190/199) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.078 -0.000 -2.657) 4.867 0.554 ( -6.486 -0.000 1.014) 6.565 0.616 ( -2.574 -0.000 6.430) 6.926 0.647 ( -2.261 -0.000 -0.066) 2.262 0.722 ( -2.518 -0.000 -0.778) 2.635 0.906 ( -0.695 -0.000 2.300) 2.403 0.927 ( -0.783 -0.000 4.909) 4.971 0.967 ( 2.442 0.000 0.116) 2.445 1.218 ( 0.006 0.000 -2.140) 2.140 1.346 ( 2.137 0.000 -4.390) 4.882 1.404 ( 0.340 0.000 -1.290) 1.334 1.738 ( 0.394 0.000 0.554) 0.680 2.256 ( -2.028 -0.000 -0.103) 2.030 2.307 ( -2.457 -0.000 0.058) 2.457 2.725 ( 0.904 0.000 0.229) 0.932 2.761 ( -0.775 -0.000 -0.134) 0.787 3.038 ( 0.669 0.000 0.185) 0.694 3.067 ( 1.192 0.000 -0.385) 1.253 3.246 ( -0.396 -0.000 -0.700) 0.804 3.429 ( -0.878 -0.000 1.764) 1.970 3.440 ( 0.029 0.000 0.022) 0.036 3.798 ( -1.842 -0.000 -2.096) 2.790 3.885 ( 0.745 0.000 0.571) 0.939 4.093 ( -3.810 -0.000 -0.509) 3.844 ======================= Grid point 400 (191/199) ======================= q-point: (-0.25 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -6.486 -0.800 -1.420) 6.688 0.521 ( -4.219 -0.857 -0.805) 4.380 0.611 ( -2.206 -0.422 6.501) 6.878 0.723 ( -2.224 -9.035 -0.057) 9.305 0.859 ( -1.440 -11.367 -0.093) 11.458 0.894 ( 0.255 -0.092 0.267) 0.381 0.939 ( -0.963 -1.655 6.381) 6.662 1.084 ( 1.578 -8.688 -0.078) 8.831 1.214 ( -0.362 -0.084 -2.039) 2.073 1.338 ( 1.081 0.942 -3.575) 3.852 1.398 ( 0.644 0.225 -1.860) 1.981 1.725 ( -0.014 1.481 0.535) 1.574 2.398 ( -0.436 -13.302 -0.306) 13.313 2.493 ( 1.613 -15.967 -0.707) 16.064 2.737 ( 0.451 -0.970 0.426) 1.151 2.760 ( -0.128 -1.318 -0.645) 1.473 3.037 ( 1.062 0.529 0.296) 1.223 3.057 ( 1.522 1.140 -0.285) 1.923 3.243 ( -0.211 -0.151 -0.932) 0.967 3.409 ( -0.992 1.910 1.831) 2.826 3.443 ( 0.038 -0.370 -0.005) 0.372 3.714 ( -2.177 6.983 -1.852) 7.545 3.832 ( 0.715 6.008 0.652) 6.086 4.000 ( -3.927 6.746 -0.669) 7.834 ======================= Grid point 401 (192/199) ======================= q-point: (-0.17 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -1.171 -6.894 -0.060) 6.993 0.556 ( -0.172 -4.220 -1.405) 4.451 0.642 ( -2.530 -3.412 5.082) 6.623 0.861 ( 3.329 -3.109 -0.874) 4.638 0.930 ( -3.083 -3.646 3.613) 5.988 0.998 ( 0.036 -7.415 2.277) 7.757 1.105 ( 1.029 -10.189 -0.103) 10.242 1.199 ( -2.855 -1.314 -0.490) 3.181 1.265 ( -0.455 -5.941 -0.886) 6.024 1.329 ( 2.097 -1.562 -2.735) 3.783 1.406 ( 0.581 -1.412 -1.995) 2.512 1.691 ( -0.628 1.856 0.930) 2.169 2.590 ( 0.777 -2.218 -0.759) 2.470 2.660 ( 0.297 -0.787 0.868) 1.209 2.814 ( -1.085 -7.521 0.729) 7.634 2.868 ( 1.681 -5.070 -1.710) 5.608 3.044 ( 1.446 -2.644 0.343) 3.033 3.124 ( 5.069 -7.667 -0.609) 9.212 3.248 ( 0.621 -0.633 -1.385) 1.644 3.351 ( -1.089 3.905 1.903) 4.478 3.455 ( -0.257 -0.588 -0.322) 0.718 3.518 ( -1.492 10.982 -1.026) 11.130 3.674 ( 0.383 10.199 0.116) 10.207 3.823 ( -2.254 8.595 -0.954) 8.937 ======================= Grid point 402 (193/199) ======================= q-point: (-0.08 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 1.641 -6.623 0.216) 6.827 0.660 ( 2.615 -5.811 -0.716) 6.413 0.760 ( 0.927 -8.585 2.836) 9.089 0.905 ( 2.705 -0.423 0.964) 2.902 0.987 ( -2.998 -2.922 2.865) 5.073 1.140 ( 0.123 -4.685 -0.127) 4.688 1.184 ( -1.199 -1.809 0.766) 2.301 1.258 ( 2.409 -3.161 -2.415) 4.651 1.333 ( 1.088 -4.220 -1.640) 4.656 1.398 ( -0.445 -3.020 -0.608) 3.113 1.479 ( 0.249 -5.257 -0.622) 5.299 1.654 ( -0.799 1.831 1.581) 2.548 2.561 ( 0.128 3.584 -0.100) 3.588 2.627 ( -0.501 3.515 0.142) 3.553 2.869 ( -1.188 -0.089 -0.306) 1.230 2.904 ( -0.083 0.246 0.148) 0.299 3.131 ( -0.104 4.573 0.760) 4.637 3.194 ( -0.744 9.363 -0.337) 9.398 3.248 ( 1.263 -6.660 1.135) 6.873 3.315 ( -0.792 4.136 1.159) 4.368 3.380 ( 3.473 -5.417 -0.824) 6.488 3.479 ( 0.844 1.682 -1.860) 2.646 3.518 ( 1.736 1.878 -0.424) 2.592 3.672 ( -0.003 5.744 -1.525) 5.943 ======================= Grid point 412 (194/199) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -6.195 -0.000 -1.636) 6.407 0.465 ( -9.665 -0.000 1.290) 9.751 0.578 ( -5.154 -0.000 0.394) 5.169 0.636 ( -3.093 -0.000 6.829) 7.497 0.693 ( -2.098 -0.000 -0.843) 2.261 0.917 ( 1.767 0.000 -0.532) 1.845 0.944 ( 0.300 0.000 6.526) 6.532 0.995 ( 2.216 0.000 0.078) 2.217 1.211 ( 0.119 0.000 -2.647) 2.650 1.346 ( 0.396 0.000 -3.416) 3.439 1.406 ( 1.206 0.000 -2.262) 2.563 1.749 ( 1.505 0.000 0.460) 1.574 2.230 ( -2.302 -0.000 -0.170) 2.309 2.276 ( -2.682 -0.000 -0.016) 2.682 2.736 ( 0.879 0.000 0.365) 0.952 2.751 ( -0.875 -0.000 -0.152) 0.889 3.051 ( 1.352 0.000 0.362) 1.400 3.079 ( 1.159 0.000 -0.416) 1.231 3.238 ( -0.410 -0.000 -0.951) 1.035 3.425 ( -1.050 -0.000 1.746) 2.037 3.440 ( 0.039 0.000 0.020) 0.044 3.764 ( -2.771 -0.000 -1.830) 3.321 3.896 ( 0.726 0.000 0.751) 1.044 4.040 ( -4.854 -0.000 -0.551) 4.885 ======================= Grid point 413 (195/199) ======================= q-point: (-0.17 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -5.608 -3.133 0.335) 6.432 0.474 ( -3.247 -3.313 -1.055) 4.758 0.602 ( -3.607 -0.078 5.994) 6.996 0.677 ( -5.384 -11.951 -0.070) 13.108 0.840 ( -1.693 -11.913 -0.046) 12.033 0.912 ( 1.918 0.144 0.573) 2.007 0.957 ( 0.388 -1.067 5.868) 5.977 1.101 ( 1.222 -7.507 0.011) 7.606 1.202 ( -0.282 0.088 -2.290) 2.309 1.332 ( 0.033 0.666 -3.087) 3.158 1.398 ( 0.824 0.413 -2.546) 2.708 1.727 ( 0.085 2.227 0.424) 2.269 2.392 ( -0.457 -14.619 0.254) 14.629 2.518 ( 3.587 -17.750 -2.773) 18.320 2.743 ( 0.300 -0.432 0.417) 0.671 2.759 ( 0.465 -2.611 -0.823) 2.777 3.052 ( 1.280 0.838 0.303) 1.560 3.077 ( 2.231 -0.143 -0.169) 2.242 3.237 ( -0.162 -0.357 -1.295) 1.353 3.403 ( -1.234 1.937 1.663) 2.836 3.444 ( -0.024 -0.330 0.013) 0.331 3.678 ( -2.840 6.620 -1.383) 7.335 3.842 ( 0.527 6.170 0.798) 6.244 3.949 ( -4.178 6.026 -0.631) 7.360 ======================= Grid point 414 (196/199) ======================= q-point: (-0.08 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.679 -9.081 0.692) 9.133 0.552 ( 0.676 -5.969 -1.367) 6.161 0.628 ( -2.950 -4.484 3.878) 6.622 0.886 ( 0.939 -8.019 -0.869) 8.120 0.916 ( -1.180 -1.428 3.762) 4.193 1.009 ( 0.661 -6.175 2.043) 6.538 1.112 ( -0.343 -12.241 0.854) 12.275 1.163 ( -2.844 0.050 -0.408) 2.873 1.259 ( 0.352 -3.788 -2.034) 4.314 1.342 ( 1.740 -3.290 -1.972) 4.212 1.402 ( 0.120 -1.380 -2.121) 2.533 1.685 ( -0.797 1.855 0.673) 2.128 2.594 ( 0.285 -2.060 -0.682) 2.189 2.668 ( 0.536 0.199 0.853) 1.027 2.806 ( -0.818 -6.752 1.061) 6.883 2.883 ( 2.019 -3.851 -1.801) 4.706 3.065 ( 1.777 -3.625 0.792) 4.115 3.180 ( 4.824 -6.719 -1.598) 8.424 3.252 ( 1.386 -2.296 -2.440) 3.625 3.343 ( -1.347 3.541 1.306) 4.008 3.444 ( -1.406 2.170 0.065) 2.587 3.504 ( -0.391 7.298 -0.406) 7.319 3.677 ( -0.057 10.419 -0.031) 10.419 3.795 ( -1.936 7.314 -0.955) 7.626 ======================= Grid point 425 (197/199) ======================= q-point: (-0.17 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -7.180 -0.000 1.308) 7.299 0.348 ( -11.230 -0.000 1.694) 11.357 0.521 ( -3.781 -0.000 -1.292) 3.995 0.613 ( -5.359 -0.000 6.631) 8.526 0.666 ( -1.942 -0.000 -1.020) 2.193 0.932 ( -0.380 -0.000 3.903) 3.922 0.988 ( 4.316 0.000 1.977) 4.747 1.018 ( 1.651 0.000 0.014) 1.651 1.199 ( -0.605 -0.000 -2.564) 2.634 1.331 ( -0.554 -0.000 -3.309) 3.355 1.412 ( 1.500 0.000 -3.029) 3.380 1.778 ( 3.248 0.000 0.099) 3.249 2.204 ( -1.933 -0.000 -0.221) 1.945 2.247 ( -2.264 -0.000 -0.043) 2.264 2.740 ( -0.703 -0.000 -0.074) 0.707 2.747 ( 0.655 0.000 0.406) 0.770 3.071 ( 1.625 0.000 0.597) 1.731 3.091 ( 1.186 0.000 -0.348) 1.237 3.230 ( -0.286 -0.000 -1.308) 1.338 3.417 ( -1.381 -0.000 1.400) 1.967 3.441 ( 0.035 0.000 0.020) 0.040 3.722 ( -3.443 -0.000 -1.219) 3.653 3.906 ( 0.526 0.000 0.810) 0.966 3.985 ( -4.175 -0.000 0.017) 4.175 ======================= Grid point 426 (198/199) ======================= q-point: (-0.08 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -1.555 -6.822 2.062) 7.295 0.443 ( -1.419 -6.095 -0.457) 6.275 0.568 ( -5.775 -0.808 3.958) 7.047 0.615 ( -4.558 -13.317 0.081) 14.076 0.820 ( -1.634 -12.568 -0.135) 12.674 0.931 ( -0.342 -0.439 4.476) 4.511 0.995 ( 3.397 0.098 2.257) 4.079 1.110 ( 0.096 -5.348 0.193) 5.352 1.190 ( -0.370 -0.963 -2.168) 2.401 1.319 ( -0.004 0.023 -3.322) 3.322 1.396 ( 0.528 0.784 -2.727) 2.886 1.729 ( -0.007 3.430 0.559) 3.475 2.391 ( -0.135 -15.740 1.154) 15.783 2.547 ( 3.615 -18.236 -5.498) 19.387 2.747 ( 0.111 0.212 0.286) 0.373 2.766 ( 1.376 -4.697 -1.344) 5.075 3.067 ( 1.173 1.153 0.424) 1.698 3.104 ( 2.284 -1.755 -0.522) 2.928 3.230 ( -0.160 -0.454 -1.707) 1.774 3.393 ( -1.482 1.936 1.267) 2.748 3.443 ( -0.062 -0.225 0.067) 0.242 3.642 ( -2.484 5.944 -0.593) 6.470 3.849 ( 0.265 6.491 0.916) 6.560 3.906 ( -2.831 5.449 -0.277) 6.146 ======================= Grid point 438 (199/199) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -9.498 -0.000 2.252) 9.761 0.234 ( -4.817 -0.000 4.263) 6.433 0.494 ( 0.091 0.000 -1.065) 1.069 0.562 ( -6.824 -0.000 4.084) 7.953 0.642 ( -1.483 -0.000 -1.051) 1.818 0.940 ( -1.703 -0.000 6.823) 7.032 1.032 ( 0.900 0.000 -0.046) 0.901 1.049 ( 5.348 0.000 0.057) 5.348 1.174 ( -2.358 -0.000 -1.867) 3.008 1.313 ( -0.013 -0.000 -3.958) 3.958 1.415 ( 0.984 0.000 -3.170) 3.319 1.814 ( 2.542 0.000 -1.128) 2.781 2.186 ( -1.051 -0.000 -0.248) 1.080 2.226 ( -1.363 -0.000 -0.000) 1.363 2.734 ( -0.400 -0.000 -0.037) 0.402 2.755 ( 0.400 0.000 0.396) 0.563 3.090 ( 1.144 0.000 0.653) 1.317 3.101 ( 0.640 0.000 -0.342) 0.726 3.222 ( -0.126 -0.000 -1.531) 1.536 3.405 ( -1.384 -0.000 1.035) 1.728 3.441 ( 0.015 0.000 0.022) 0.027 3.686 ( -1.759 -0.000 -0.408) 1.806 3.914 ( 0.388 0.000 0.597) 0.712 3.951 ( -1.793 -0.000 0.756) 1.946 =================== 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 3/17280 10.0 7.061 13.844 3.854 -0.000 -0.783 0.000 3/17280 20.0 2.791 7.730 1.604 -0.000 -0.379 0.000 3/17280 30.0 1.787 5.823 1.076 -0.000 -0.263 0.000 3/17280 40.0 1.335 4.862 0.826 -0.000 -0.202 0.000 3/17280 50.0 1.075 4.221 0.677 -0.000 -0.165 0.000 3/17280 60.0 0.903 3.729 0.575 -0.000 -0.139 0.000 3/17280 70.0 0.779 3.334 0.500 -0.000 -0.120 0.000 3/17280 80.0 0.686 3.007 0.442 -0.000 -0.106 0.000 3/17280 90.0 0.613 2.733 0.396 -0.000 -0.095 0.000 3/17280 100.0 0.553 2.502 0.359 -0.000 -0.086 0.000 3/17280 110.0 0.505 2.304 0.328 -0.000 -0.078 0.000 3/17280 120.0 0.464 2.134 0.302 -0.000 -0.072 0.000 3/17280 130.0 0.429 1.986 0.280 -0.000 -0.066 0.000 3/17280 140.0 0.399 1.856 0.260 -0.000 -0.062 0.000 3/17280 150.0 0.373 1.742 0.243 -0.000 -0.058 0.000 3/17280 160.0 0.350 1.640 0.229 -0.000 -0.054 0.000 3/17280 170.0 0.330 1.549 0.216 -0.000 -0.051 0.000 3/17280 180.0 0.311 1.468 0.204 -0.000 -0.048 0.000 3/17280 190.0 0.295 1.394 0.193 -0.000 -0.046 0.000 3/17280 200.0 0.281 1.328 0.184 -0.000 -0.044 0.000 3/17280 210.0 0.267 1.267 0.175 -0.000 -0.041 0.000 3/17280 220.0 0.255 1.212 0.167 -0.000 -0.040 0.000 3/17280 230.0 0.244 1.161 0.160 -0.000 -0.038 0.000 3/17280 240.0 0.234 1.114 0.154 -0.000 -0.036 0.000 3/17280 250.0 0.225 1.070 0.147 -0.000 -0.035 0.000 3/17280 260.0 0.216 1.030 0.142 -0.000 -0.034 0.000 3/17280 270.0 0.208 0.993 0.137 -0.000 -0.032 0.000 3/17280 280.0 0.201 0.958 0.132 -0.000 -0.031 0.000 3/17280 290.0 0.194 0.926 0.127 -0.000 -0.030 0.000 3/17280 300.0 0.188 0.896 0.123 -0.000 -0.029 0.000 3/17280 310.0 0.182 0.868 0.119 -0.000 -0.028 0.000 3/17280 320.0 0.176 0.841 0.115 -0.000 -0.027 0.000 3/17280 330.0 0.171 0.816 0.112 -0.000 -0.026 0.000 3/17280 340.0 0.166 0.792 0.109 -0.000 -0.026 0.000 3/17280 350.0 0.161 0.770 0.106 -0.000 -0.025 0.000 3/17280 360.0 0.157 0.749 0.103 -0.000 -0.024 0.000 3/17280 370.0 0.152 0.729 0.100 -0.000 -0.024 0.000 3/17280 380.0 0.148 0.710 0.097 -0.000 -0.023 0.000 3/17280 390.0 0.145 0.692 0.095 -0.000 -0.022 0.000 3/17280 400.0 0.141 0.675 0.093 -0.000 -0.022 0.000 3/17280 410.0 0.138 0.659 0.090 -0.000 -0.021 0.000 3/17280 420.0 0.134 0.643 0.088 -0.000 -0.021 0.000 3/17280 430.0 0.131 0.628 0.086 -0.000 -0.020 0.000 3/17280 440.0 0.128 0.614 0.084 -0.000 -0.020 0.000 3/17280 450.0 0.125 0.601 0.082 -0.000 -0.019 0.000 3/17280 460.0 0.123 0.588 0.080 -0.000 -0.019 0.000 3/17280 470.0 0.120 0.575 0.079 -0.000 -0.019 0.000 3/17280 480.0 0.117 0.563 0.077 -0.000 -0.018 0.000 3/17280 490.0 0.115 0.552 0.076 -0.000 -0.018 0.000 3/17280 500.0 0.113 0.541 0.074 -0.000 -0.017 0.000 3/17280 510.0 0.111 0.530 0.073 -0.000 -0.017 0.000 3/17280 520.0 0.108 0.520 0.071 -0.000 -0.017 0.000 3/17280 530.0 0.106 0.511 0.070 -0.000 -0.017 0.000 3/17280 540.0 0.104 0.501 0.069 -0.000 -0.016 0.000 3/17280 550.0 0.103 0.492 0.067 -0.000 -0.016 0.000 3/17280 560.0 0.101 0.483 0.066 -0.000 -0.016 0.000 3/17280 570.0 0.099 0.475 0.065 -0.000 -0.015 0.000 3/17280 580.0 0.097 0.467 0.064 -0.000 -0.015 0.000 3/17280 590.0 0.096 0.459 0.063 -0.000 -0.015 0.000 3/17280 600.0 0.094 0.451 0.062 -0.000 -0.015 0.000 3/17280 610.0 0.092 0.444 0.061 -0.000 -0.014 0.000 3/17280 620.0 0.091 0.437 0.060 -0.000 -0.014 0.000 3/17280 630.0 0.090 0.430 0.059 -0.000 -0.014 0.000 3/17280 640.0 0.088 0.423 0.058 -0.000 -0.014 0.000 3/17280 650.0 0.087 0.417 0.057 -0.000 -0.013 0.000 3/17280 660.0 0.085 0.410 0.056 -0.000 -0.013 0.000 3/17280 670.0 0.084 0.404 0.055 -0.000 -0.013 0.000 3/17280 680.0 0.083 0.398 0.054 -0.000 -0.013 0.000 3/17280 690.0 0.082 0.393 0.054 -0.000 -0.013 0.000 3/17280 700.0 0.081 0.387 0.053 -0.000 -0.013 0.000 3/17280 710.0 0.079 0.382 0.052 -0.000 -0.012 0.000 3/17280 720.0 0.078 0.376 0.051 -0.000 -0.012 0.000 3/17280 730.0 0.077 0.371 0.051 -0.000 -0.012 0.000 3/17280 740.0 0.076 0.366 0.050 -0.000 -0.012 0.000 3/17280 750.0 0.075 0.361 0.049 -0.000 -0.012 0.000 3/17280 760.0 0.074 0.357 0.049 -0.000 -0.012 0.000 3/17280 770.0 0.073 0.352 0.048 -0.000 -0.011 0.000 3/17280 780.0 0.072 0.347 0.048 -0.000 -0.011 0.000 3/17280 790.0 0.071 0.343 0.047 -0.000 -0.011 0.000 3/17280 800.0 0.071 0.339 0.046 -0.000 -0.011 0.000 3/17280 810.0 0.070 0.335 0.046 -0.000 -0.011 0.000 3/17280 820.0 0.069 0.331 0.045 -0.000 -0.011 0.000 3/17280 830.0 0.068 0.327 0.045 -0.000 -0.011 0.000 3/17280 840.0 0.067 0.323 0.044 -0.000 -0.010 0.000 3/17280 850.0 0.066 0.319 0.044 -0.000 -0.010 0.000 3/17280 860.0 0.066 0.315 0.043 -0.000 -0.010 0.000 3/17280 870.0 0.065 0.312 0.043 -0.000 -0.010 0.000 3/17280 880.0 0.064 0.308 0.042 -0.000 -0.010 0.000 3/17280 890.0 0.063 0.305 0.042 -0.000 -0.010 0.000 3/17280 900.0 0.063 0.301 0.041 -0.000 -0.010 0.000 3/17280 910.0 0.062 0.298 0.041 -0.000 -0.010 0.000 3/17280 920.0 0.061 0.295 0.040 -0.000 -0.010 0.000 3/17280 930.0 0.061 0.292 0.040 -0.000 -0.009 0.000 3/17280 940.0 0.060 0.288 0.039 -0.000 -0.009 0.000 3/17280 950.0 0.059 0.285 0.039 -0.000 -0.009 0.000 3/17280 960.0 0.059 0.282 0.039 -0.000 -0.009 0.000 3/17280 970.0 0.058 0.280 0.038 -0.000 -0.009 0.000 3/17280 980.0 0.058 0.277 0.038 -0.000 -0.009 0.000 3/17280 990.0 0.057 0.274 0.037 -0.000 -0.009 0.000 3/17280 1000.0 0.056 0.271 0.037 -0.000 -0.009 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:01:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|