----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:25:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667903490000000 -4.022456129999999 0.000000000000000 b 2.667903490000000 4.022456129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.822344800000000 Atomic positions (fractional): *1 O 0.74630662461270 0.25369337538730 0.55949808799972 15.999 2 O 0.25369337538730 0.74630662461270 0.05949808799972 15.999 3 O 0.25369337538730 0.74630662461270 0.44050191200028 15.999 4 O 0.74630662461270 0.25369337538730 0.94050191200028 15.999 *5 O 0.29351268366280 0.22712527366546 0.75000000000000 15.999 6 O 0.70648731633719 0.77287472633455 0.25000000000000 15.999 7 O 0.22712527366546 0.29351268366281 0.25000000000000 15.999 8 O 0.77287472633454 0.70648731633720 0.75000000000000 15.999 *9 P 0.35206515694634 0.64793484305366 0.25000000000000 30.974 10 P 0.64793484305366 0.35206515694634 0.75000000000000 30.974 *11 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 12 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.335806980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.044912259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.822344800000000 Atomic positions (fractional): *1 O 0.50000000000000 0.75369337538730 0.55949808799972 15.999 > 1 2 O 0.50000000000000 0.24630662461270 0.05949808799972 15.999 > 2 3 O 0.50000000000000 0.24630662461270 0.44050191200028 15.999 > 3 4 O 0.50000000000000 0.75369337538730 0.94050191200028 15.999 > 4 *5 O 0.26031897866413 0.96680629500133 0.75000000000000 15.999 > 5 6 O 0.73968102133587 0.03319370499868 0.25000000000000 15.999 > 6 7 O 0.26031897866413 0.03319370499868 0.25000000000000 15.999 > 7 8 O 0.73968102133587 0.96680629500133 0.75000000000000 15.999 > 8 9 O 0.00000000000000 0.25369337538730 0.55949808799972 15.999 > 1 10 O 0.00000000000000 0.74630662461270 0.05949808799972 15.999 > 2 11 O 0.00000000000000 0.74630662461270 0.44050191200028 15.999 > 3 12 O 0.00000000000000 0.25369337538730 0.94050191200028 15.999 > 4 13 O 0.76031897866413 0.46680629500132 0.75000000000000 15.999 > 5 14 O 0.23968102133587 0.53319370499867 0.25000000000000 15.999 > 6 15 O 0.76031897866413 0.53319370499867 0.25000000000000 15.999 > 7 16 O 0.23968102133587 0.46680629500132 0.75000000000000 15.999 > 8 *17 P 0.50000000000000 0.14793484305366 0.25000000000000 30.974 > 9 18 P 0.50000000000000 0.85206515694634 0.75000000000000 30.974 > 10 19 P 0.00000000000000 0.64793484305366 0.25000000000000 30.974 > 9 20 P 0.00000000000000 0.35206515694634 0.75000000000000 30.974 > 10 *21 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 11 22 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 12 23 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 11 24 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.671613960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.044912259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.644689600000000 Atomic positions (fractional): *1 O 0.25000000000000 0.75369337538730 0.27974904399986 15.999 > 1 2 O 0.75000000000000 0.75369337538730 0.27974904399986 15.999 > 1 3 O 0.25000000000000 0.75369337538730 0.77974904399986 15.999 > 1 4 O 0.75000000000000 0.75369337538730 0.77974904399986 15.999 > 1 5 O 0.25000000000000 0.24630662461270 0.02974904399986 15.999 > 2 6 O 0.75000000000000 0.24630662461270 0.02974904399986 15.999 > 2 7 O 0.25000000000000 0.24630662461270 0.52974904399986 15.999 > 2 8 O 0.75000000000000 0.24630662461270 0.52974904399986 15.999 > 2 9 O 0.25000000000000 0.24630662461270 0.22025095600014 15.999 > 3 10 O 0.75000000000000 0.24630662461270 0.22025095600014 15.999 > 3 11 O 0.25000000000000 0.24630662461270 0.72025095600014 15.999 > 3 12 O 0.75000000000000 0.24630662461270 0.72025095600014 15.999 > 3 13 O 0.25000000000000 0.75369337538730 0.47025095600014 15.999 > 4 14 O 0.75000000000000 0.75369337538730 0.47025095600014 15.999 > 4 15 O 0.25000000000000 0.75369337538730 0.97025095600014 15.999 > 4 16 O 0.75000000000000 0.75369337538730 0.97025095600014 15.999 > 4 *17 O 0.13015948933207 0.96680629500133 0.37500000000000 15.999 > 5 18 O 0.63015948933207 0.96680629500133 0.37500000000000 15.999 > 5 19 O 0.13015948933207 0.96680629500133 0.87500000000000 15.999 > 5 20 O 0.63015948933207 0.96680629500133 0.87500000000000 15.999 > 5 21 O 0.36984051066793 0.03319370499868 0.12500000000000 15.999 > 6 22 O 0.86984051066793 0.03319370499868 0.12500000000000 15.999 > 6 23 O 0.36984051066793 0.03319370499868 0.62500000000000 15.999 > 6 24 O 0.86984051066793 0.03319370499868 0.62500000000000 15.999 > 6 25 O 0.13015948933207 0.03319370499868 0.12500000000000 15.999 > 7 26 O 0.63015948933207 0.03319370499868 0.12500000000000 15.999 > 7 27 O 0.13015948933207 0.03319370499868 0.62500000000000 15.999 > 7 28 O 0.63015948933207 0.03319370499868 0.62500000000000 15.999 > 7 29 O 0.36984051066793 0.96680629500133 0.37500000000000 15.999 > 8 30 O 0.86984051066793 0.96680629500133 0.37500000000000 15.999 > 8 31 O 0.36984051066793 0.96680629500133 0.87500000000000 15.999 > 8 32 O 0.86984051066793 0.96680629500133 0.87500000000000 15.999 > 8 33 O 0.00000000000000 0.25369337538730 0.27974904399986 15.999 > 1 34 O 0.50000000000000 0.25369337538730 0.27974904399986 15.999 > 1 35 O 0.00000000000000 0.25369337538730 0.77974904399986 15.999 > 1 36 O 0.50000000000000 0.25369337538730 0.77974904399986 15.999 > 1 37 O 0.00000000000000 0.74630662461270 0.02974904399986 15.999 > 2 38 O 0.50000000000000 0.74630662461270 0.02974904399986 15.999 > 2 39 O 0.00000000000000 0.74630662461270 0.52974904399986 15.999 > 2 40 O 0.50000000000000 0.74630662461270 0.52974904399986 15.999 > 2 41 O 0.00000000000000 0.74630662461270 0.22025095600014 15.999 > 3 42 O 0.50000000000000 0.74630662461270 0.22025095600014 15.999 > 3 43 O 0.00000000000000 0.74630662461270 0.72025095600014 15.999 > 3 44 O 0.50000000000000 0.74630662461270 0.72025095600014 15.999 > 3 45 O 0.00000000000000 0.25369337538730 0.47025095600014 15.999 > 4 46 O 0.50000000000000 0.25369337538730 0.47025095600014 15.999 > 4 47 O 0.00000000000000 0.25369337538730 0.97025095600014 15.999 > 4 48 O 0.50000000000000 0.25369337538730 0.97025095600014 15.999 > 4 49 O 0.38015948933207 0.46680629500132 0.37500000000000 15.999 > 5 50 O 0.88015948933207 0.46680629500132 0.37500000000000 15.999 > 5 51 O 0.38015948933207 0.46680629500132 0.87500000000000 15.999 > 5 52 O 0.88015948933207 0.46680629500132 0.87500000000000 15.999 > 5 53 O 0.11984051066794 0.53319370499867 0.12500000000000 15.999 > 6 54 O 0.61984051066794 0.53319370499867 0.12500000000000 15.999 > 6 55 O 0.11984051066794 0.53319370499867 0.62500000000000 15.999 > 6 56 O 0.61984051066794 0.53319370499867 0.62500000000000 15.999 > 6 57 O 0.38015948933207 0.53319370499867 0.12500000000000 15.999 > 7 58 O 0.88015948933207 0.53319370499867 0.12500000000000 15.999 > 7 59 O 0.38015948933207 0.53319370499867 0.62500000000000 15.999 > 7 60 O 0.88015948933207 0.53319370499867 0.62500000000000 15.999 > 7 61 O 0.11984051066794 0.46680629500132 0.37500000000000 15.999 > 8 62 O 0.61984051066794 0.46680629500132 0.37500000000000 15.999 > 8 63 O 0.11984051066794 0.46680629500132 0.87500000000000 15.999 > 8 64 O 0.61984051066794 0.46680629500132 0.87500000000000 15.999 > 8 *65 P 0.25000000000000 0.14793484305366 0.12500000000000 30.974 > 9 66 P 0.75000000000000 0.14793484305366 0.12500000000000 30.974 > 9 67 P 0.25000000000000 0.14793484305366 0.62500000000000 30.974 > 9 68 P 0.75000000000000 0.14793484305366 0.62500000000000 30.974 > 9 69 P 0.25000000000000 0.85206515694634 0.37500000000000 30.974 > 10 70 P 0.75000000000000 0.85206515694634 0.37500000000000 30.974 > 10 71 P 0.25000000000000 0.85206515694634 0.87500000000000 30.974 > 10 72 P 0.75000000000000 0.85206515694634 0.87500000000000 30.974 > 10 73 P 0.00000000000000 0.64793484305366 0.12500000000000 30.974 > 9 74 P 0.50000000000000 0.64793484305366 0.12500000000000 30.974 > 9 75 P 0.00000000000000 0.64793484305366 0.62500000000000 30.974 > 9 76 P 0.50000000000000 0.64793484305366 0.62500000000000 30.974 > 9 77 P 0.00000000000000 0.35206515694634 0.37500000000000 30.974 > 10 78 P 0.50000000000000 0.35206515694634 0.37500000000000 30.974 > 10 79 P 0.00000000000000 0.35206515694634 0.87500000000000 30.974 > 10 80 P 0.50000000000000 0.35206515694634 0.87500000000000 30.974 > 10 *81 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 11 82 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 11 83 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 11 84 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 11 85 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 12 86 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 12 87 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 12 88 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 12 89 In 0.25000000000000 0.50000000000000 0.25000000000000 114.818 > 11 90 In 0.75000000000000 0.50000000000000 0.25000000000000 114.818 > 11 91 In 0.25000000000000 0.50000000000000 0.75000000000000 114.818 > 11 92 In 0.75000000000000 0.50000000000000 0.75000000000000 114.818 > 11 93 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 12 94 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 12 95 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 12 96 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2144372 0.0000000 0.0000000 0.0000000 3.2760314 0.0000000 0.0000000 0.0000000 3.2581600 -------------------------- Born effective charges -------------------------- 1 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 2 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 3 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 4 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 5 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 6 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 7 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 8 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 9 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 10 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 11 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 -0.4105452 0.0000000 0.3696901 3.6256106 12 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 0.4105452 0.0000000 -0.3696901 3.6256106 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.586 Solver_block: 200 / 240 - Time: 0.592 Solver_block: 240 / 240 - Time: 0.289 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.482 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:25:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667903490000000 -4.022456129999999 0.000000000000000 b 2.667903490000000 4.022456129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.822344800000000 Atomic positions (fractional): 1 O 0.74630662461270 0.25369337538730 0.55949808799972 15.999 2 O 0.25369337538730 0.74630662461270 0.05949808799972 15.999 3 O 0.25369337538730 0.74630662461270 0.44050191200028 15.999 4 O 0.74630662461270 0.25369337538730 0.94050191200028 15.999 5 O 0.29351268366280 0.22712527366546 0.75000000000000 15.999 6 O 0.70648731633719 0.77287472633455 0.25000000000000 15.999 7 O 0.22712527366546 0.29351268366281 0.25000000000000 15.999 8 O 0.77287472633454 0.70648731633720 0.75000000000000 15.999 9 P 0.35206515694634 0.64793484305366 0.25000000000000 30.974 10 P 0.64793484305366 0.35206515694634 0.75000000000000 30.974 11 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 12 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.671613960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.044912259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.644689600000000 Atomic positions (fractional): 1 O 0.25000000000000 0.75369337538730 0.27974904399986 15.999 > 1 2 O 0.75000000000000 0.75369337538730 0.27974904399986 15.999 > 1 3 O 0.25000000000000 0.75369337538730 0.77974904399986 15.999 > 1 4 O 0.75000000000000 0.75369337538730 0.77974904399986 15.999 > 1 5 O 0.25000000000000 0.24630662461270 0.02974904399986 15.999 > 5 6 O 0.75000000000000 0.24630662461270 0.02974904399986 15.999 > 5 7 O 0.25000000000000 0.24630662461270 0.52974904399986 15.999 > 5 8 O 0.75000000000000 0.24630662461270 0.52974904399986 15.999 > 5 9 O 0.25000000000000 0.24630662461270 0.22025095600014 15.999 > 9 10 O 0.75000000000000 0.24630662461270 0.22025095600014 15.999 > 9 11 O 0.25000000000000 0.24630662461270 0.72025095600014 15.999 > 9 12 O 0.75000000000000 0.24630662461270 0.72025095600014 15.999 > 9 13 O 0.25000000000000 0.75369337538730 0.47025095600014 15.999 > 13 14 O 0.75000000000000 0.75369337538730 0.47025095600014 15.999 > 13 15 O 0.25000000000000 0.75369337538730 0.97025095600014 15.999 > 13 16 O 0.75000000000000 0.75369337538730 0.97025095600014 15.999 > 13 17 O 0.13015948933207 0.96680629500133 0.37500000000000 15.999 > 17 18 O 0.63015948933207 0.96680629500133 0.37500000000000 15.999 > 17 19 O 0.13015948933207 0.96680629500133 0.87500000000000 15.999 > 17 20 O 0.63015948933207 0.96680629500133 0.87500000000000 15.999 > 17 21 O 0.36984051066793 0.03319370499868 0.12500000000000 15.999 > 21 22 O 0.86984051066793 0.03319370499868 0.12500000000000 15.999 > 21 23 O 0.36984051066793 0.03319370499868 0.62500000000000 15.999 > 21 24 O 0.86984051066793 0.03319370499868 0.62500000000000 15.999 > 21 25 O 0.13015948933207 0.03319370499868 0.12500000000000 15.999 > 25 26 O 0.63015948933207 0.03319370499868 0.12500000000000 15.999 > 25 27 O 0.13015948933207 0.03319370499868 0.62500000000000 15.999 > 25 28 O 0.63015948933207 0.03319370499868 0.62500000000000 15.999 > 25 29 O 0.36984051066793 0.96680629500133 0.37500000000000 15.999 > 29 30 O 0.86984051066793 0.96680629500133 0.37500000000000 15.999 > 29 31 O 0.36984051066793 0.96680629500133 0.87500000000000 15.999 > 29 32 O 0.86984051066793 0.96680629500133 0.87500000000000 15.999 > 29 33 O 0.00000000000000 0.25369337538730 0.27974904399986 15.999 > 1 34 O 0.50000000000000 0.25369337538730 0.27974904399986 15.999 > 1 35 O 0.00000000000000 0.25369337538730 0.77974904399986 15.999 > 1 36 O 0.50000000000000 0.25369337538730 0.77974904399986 15.999 > 1 37 O 0.00000000000000 0.74630662461270 0.02974904399986 15.999 > 5 38 O 0.50000000000000 0.74630662461270 0.02974904399986 15.999 > 5 39 O 0.00000000000000 0.74630662461270 0.52974904399986 15.999 > 5 40 O 0.50000000000000 0.74630662461270 0.52974904399986 15.999 > 5 41 O 0.00000000000000 0.74630662461270 0.22025095600014 15.999 > 9 42 O 0.50000000000000 0.74630662461270 0.22025095600014 15.999 > 9 43 O 0.00000000000000 0.74630662461270 0.72025095600014 15.999 > 9 44 O 0.50000000000000 0.74630662461270 0.72025095600014 15.999 > 9 45 O 0.00000000000000 0.25369337538730 0.47025095600014 15.999 > 13 46 O 0.50000000000000 0.25369337538730 0.47025095600014 15.999 > 13 47 O 0.00000000000000 0.25369337538730 0.97025095600014 15.999 > 13 48 O 0.50000000000000 0.25369337538730 0.97025095600014 15.999 > 13 49 O 0.38015948933207 0.46680629500132 0.37500000000000 15.999 > 17 50 O 0.88015948933207 0.46680629500132 0.37500000000000 15.999 > 17 51 O 0.38015948933207 0.46680629500132 0.87500000000000 15.999 > 17 52 O 0.88015948933207 0.46680629500132 0.87500000000000 15.999 > 17 53 O 0.11984051066794 0.53319370499867 0.12500000000000 15.999 > 21 54 O 0.61984051066794 0.53319370499867 0.12500000000000 15.999 > 21 55 O 0.11984051066794 0.53319370499867 0.62500000000000 15.999 > 21 56 O 0.61984051066794 0.53319370499867 0.62500000000000 15.999 > 21 57 O 0.38015948933207 0.53319370499867 0.12500000000000 15.999 > 25 58 O 0.88015948933207 0.53319370499867 0.12500000000000 15.999 > 25 59 O 0.38015948933207 0.53319370499867 0.62500000000000 15.999 > 25 60 O 0.88015948933207 0.53319370499867 0.62500000000000 15.999 > 25 61 O 0.11984051066794 0.46680629500132 0.37500000000000 15.999 > 29 62 O 0.61984051066794 0.46680629500132 0.37500000000000 15.999 > 29 63 O 0.11984051066794 0.46680629500132 0.87500000000000 15.999 > 29 64 O 0.61984051066794 0.46680629500132 0.87500000000000 15.999 > 29 65 P 0.25000000000000 0.14793484305366 0.12500000000000 30.974 > 65 66 P 0.75000000000000 0.14793484305366 0.12500000000000 30.974 > 65 67 P 0.25000000000000 0.14793484305366 0.62500000000000 30.974 > 65 68 P 0.75000000000000 0.14793484305366 0.62500000000000 30.974 > 65 69 P 0.25000000000000 0.85206515694634 0.37500000000000 30.974 > 69 70 P 0.75000000000000 0.85206515694634 0.37500000000000 30.974 > 69 71 P 0.25000000000000 0.85206515694634 0.87500000000000 30.974 > 69 72 P 0.75000000000000 0.85206515694634 0.87500000000000 30.974 > 69 73 P 0.00000000000000 0.64793484305366 0.12500000000000 30.974 > 65 74 P 0.50000000000000 0.64793484305366 0.12500000000000 30.974 > 65 75 P 0.00000000000000 0.64793484305366 0.62500000000000 30.974 > 65 76 P 0.50000000000000 0.64793484305366 0.62500000000000 30.974 > 65 77 P 0.00000000000000 0.35206515694634 0.37500000000000 30.974 > 69 78 P 0.50000000000000 0.35206515694634 0.37500000000000 30.974 > 69 79 P 0.00000000000000 0.35206515694634 0.87500000000000 30.974 > 69 80 P 0.50000000000000 0.35206515694634 0.87500000000000 30.974 > 69 81 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 81 82 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 81 83 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 81 84 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 81 85 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 85 86 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 85 87 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 85 88 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 85 89 In 0.25000000000000 0.50000000000000 0.25000000000000 114.818 > 81 90 In 0.75000000000000 0.50000000000000 0.25000000000000 114.818 > 81 91 In 0.25000000000000 0.50000000000000 0.75000000000000 114.818 > 81 92 In 0.75000000000000 0.50000000000000 0.75000000000000 114.818 > 81 93 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 85 94 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 85 95 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 85 96 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2144372 0.0000000 0.0000000 0.0000000 3.2760314 0.0000000 0.0000000 0.0000000 3.2581600 -------------------------- Born effective charges -------------------------- 1 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 2 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 3 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 4 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 5 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 6 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 7 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 8 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 9 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 10 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 11 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 -0.4105452 0.0000000 0.3696901 3.6256106 12 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 0.4105452 0.0000000 -0.3696901 3.6256106 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000012 (zyz) -0.00000012 (zyz) -0.00000012 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:26:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667903490000000 -4.022456129999999 0.000000000000000 b 2.667903490000000 4.022456129999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.822344800000000 Atomic positions (fractional): 1 O 0.74630662461270 0.25369337538730 0.55949808799972 15.999 2 O 0.25369337538730 0.74630662461270 0.05949808799972 15.999 3 O 0.25369337538730 0.74630662461270 0.44050191200028 15.999 4 O 0.74630662461270 0.25369337538730 0.94050191200028 15.999 5 O 0.29351268366280 0.22712527366546 0.75000000000000 15.999 6 O 0.70648731633719 0.77287472633455 0.25000000000000 15.999 7 O 0.22712527366546 0.29351268366281 0.25000000000000 15.999 8 O 0.77287472633454 0.70648731633720 0.75000000000000 15.999 9 P 0.35206515694634 0.64793484305366 0.25000000000000 30.974 10 P 0.64793484305366 0.35206515694634 0.75000000000000 30.974 11 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 12 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.671613960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.044912259999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.644689600000000 Atomic positions (fractional): 1 O 0.25000000000000 0.75369337538730 0.27974904399986 15.999 > 1 2 O 0.75000000000000 0.75369337538730 0.27974904399986 15.999 > 1 3 O 0.25000000000000 0.75369337538730 0.77974904399986 15.999 > 1 4 O 0.75000000000000 0.75369337538730 0.77974904399986 15.999 > 1 5 O 0.25000000000000 0.24630662461270 0.02974904399986 15.999 > 5 6 O 0.75000000000000 0.24630662461270 0.02974904399986 15.999 > 5 7 O 0.25000000000000 0.24630662461270 0.52974904399986 15.999 > 5 8 O 0.75000000000000 0.24630662461270 0.52974904399986 15.999 > 5 9 O 0.25000000000000 0.24630662461270 0.22025095600014 15.999 > 9 10 O 0.75000000000000 0.24630662461270 0.22025095600014 15.999 > 9 11 O 0.25000000000000 0.24630662461270 0.72025095600014 15.999 > 9 12 O 0.75000000000000 0.24630662461270 0.72025095600014 15.999 > 9 13 O 0.25000000000000 0.75369337538730 0.47025095600014 15.999 > 13 14 O 0.75000000000000 0.75369337538730 0.47025095600014 15.999 > 13 15 O 0.25000000000000 0.75369337538730 0.97025095600014 15.999 > 13 16 O 0.75000000000000 0.75369337538730 0.97025095600014 15.999 > 13 17 O 0.13015948933207 0.96680629500133 0.37500000000000 15.999 > 17 18 O 0.63015948933207 0.96680629500133 0.37500000000000 15.999 > 17 19 O 0.13015948933207 0.96680629500133 0.87500000000000 15.999 > 17 20 O 0.63015948933207 0.96680629500133 0.87500000000000 15.999 > 17 21 O 0.36984051066793 0.03319370499868 0.12500000000000 15.999 > 21 22 O 0.86984051066793 0.03319370499868 0.12500000000000 15.999 > 21 23 O 0.36984051066793 0.03319370499868 0.62500000000000 15.999 > 21 24 O 0.86984051066793 0.03319370499868 0.62500000000000 15.999 > 21 25 O 0.13015948933207 0.03319370499868 0.12500000000000 15.999 > 25 26 O 0.63015948933207 0.03319370499868 0.12500000000000 15.999 > 25 27 O 0.13015948933207 0.03319370499868 0.62500000000000 15.999 > 25 28 O 0.63015948933207 0.03319370499868 0.62500000000000 15.999 > 25 29 O 0.36984051066793 0.96680629500133 0.37500000000000 15.999 > 29 30 O 0.86984051066793 0.96680629500133 0.37500000000000 15.999 > 29 31 O 0.36984051066793 0.96680629500133 0.87500000000000 15.999 > 29 32 O 0.86984051066793 0.96680629500133 0.87500000000000 15.999 > 29 33 O 0.00000000000000 0.25369337538730 0.27974904399986 15.999 > 1 34 O 0.50000000000000 0.25369337538730 0.27974904399986 15.999 > 1 35 O 0.00000000000000 0.25369337538730 0.77974904399986 15.999 > 1 36 O 0.50000000000000 0.25369337538730 0.77974904399986 15.999 > 1 37 O 0.00000000000000 0.74630662461270 0.02974904399986 15.999 > 5 38 O 0.50000000000000 0.74630662461270 0.02974904399986 15.999 > 5 39 O 0.00000000000000 0.74630662461270 0.52974904399986 15.999 > 5 40 O 0.50000000000000 0.74630662461270 0.52974904399986 15.999 > 5 41 O 0.00000000000000 0.74630662461270 0.22025095600014 15.999 > 9 42 O 0.50000000000000 0.74630662461270 0.22025095600014 15.999 > 9 43 O 0.00000000000000 0.74630662461270 0.72025095600014 15.999 > 9 44 O 0.50000000000000 0.74630662461270 0.72025095600014 15.999 > 9 45 O 0.00000000000000 0.25369337538730 0.47025095600014 15.999 > 13 46 O 0.50000000000000 0.25369337538730 0.47025095600014 15.999 > 13 47 O 0.00000000000000 0.25369337538730 0.97025095600014 15.999 > 13 48 O 0.50000000000000 0.25369337538730 0.97025095600014 15.999 > 13 49 O 0.38015948933207 0.46680629500132 0.37500000000000 15.999 > 17 50 O 0.88015948933207 0.46680629500132 0.37500000000000 15.999 > 17 51 O 0.38015948933207 0.46680629500132 0.87500000000000 15.999 > 17 52 O 0.88015948933207 0.46680629500132 0.87500000000000 15.999 > 17 53 O 0.11984051066794 0.53319370499867 0.12500000000000 15.999 > 21 54 O 0.61984051066794 0.53319370499867 0.12500000000000 15.999 > 21 55 O 0.11984051066794 0.53319370499867 0.62500000000000 15.999 > 21 56 O 0.61984051066794 0.53319370499867 0.62500000000000 15.999 > 21 57 O 0.38015948933207 0.53319370499867 0.12500000000000 15.999 > 25 58 O 0.88015948933207 0.53319370499867 0.12500000000000 15.999 > 25 59 O 0.38015948933207 0.53319370499867 0.62500000000000 15.999 > 25 60 O 0.88015948933207 0.53319370499867 0.62500000000000 15.999 > 25 61 O 0.11984051066794 0.46680629500132 0.37500000000000 15.999 > 29 62 O 0.61984051066794 0.46680629500132 0.37500000000000 15.999 > 29 63 O 0.11984051066794 0.46680629500132 0.87500000000000 15.999 > 29 64 O 0.61984051066794 0.46680629500132 0.87500000000000 15.999 > 29 65 P 0.25000000000000 0.14793484305366 0.12500000000000 30.974 > 65 66 P 0.75000000000000 0.14793484305366 0.12500000000000 30.974 > 65 67 P 0.25000000000000 0.14793484305366 0.62500000000000 30.974 > 65 68 P 0.75000000000000 0.14793484305366 0.62500000000000 30.974 > 65 69 P 0.25000000000000 0.85206515694634 0.37500000000000 30.974 > 69 70 P 0.75000000000000 0.85206515694634 0.37500000000000 30.974 > 69 71 P 0.25000000000000 0.85206515694634 0.87500000000000 30.974 > 69 72 P 0.75000000000000 0.85206515694634 0.87500000000000 30.974 > 69 73 P 0.00000000000000 0.64793484305366 0.12500000000000 30.974 > 65 74 P 0.50000000000000 0.64793484305366 0.12500000000000 30.974 > 65 75 P 0.00000000000000 0.64793484305366 0.62500000000000 30.974 > 65 76 P 0.50000000000000 0.64793484305366 0.62500000000000 30.974 > 65 77 P 0.00000000000000 0.35206515694634 0.37500000000000 30.974 > 69 78 P 0.50000000000000 0.35206515694634 0.37500000000000 30.974 > 69 79 P 0.00000000000000 0.35206515694634 0.87500000000000 30.974 > 69 80 P 0.50000000000000 0.35206515694634 0.87500000000000 30.974 > 69 81 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 81 82 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 81 83 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 81 84 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 81 85 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 85 86 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 85 87 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 85 88 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 85 89 In 0.25000000000000 0.50000000000000 0.25000000000000 114.818 > 81 90 In 0.75000000000000 0.50000000000000 0.25000000000000 114.818 > 81 91 In 0.25000000000000 0.50000000000000 0.75000000000000 114.818 > 81 92 In 0.75000000000000 0.50000000000000 0.75000000000000 114.818 > 81 93 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 85 94 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 85 95 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 85 96 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2144372 0.0000000 0.0000000 0.0000000 3.2760314 0.0000000 0.0000000 0.0000000 3.2581600 -------------------------- Born effective charges -------------------------- 1 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 2 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 3 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 -0.7599493 0.0000000 -0.6460304 -1.7803049 4 O -1.1122005 0.0000000 0.0000000 0.0000000 -2.0377454 0.7599493 0.0000000 0.6460304 -1.7803049 5 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 6 O -2.5615204 0.8551015 0.0000000 0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 7 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 8 O -2.5615204 -0.8551015 0.0000000 -0.8750588 -1.5100308 0.0000000 0.0000000 0.0000000 -1.6087472 9 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 10 P 4.0796258 0.0000000 0.0000000 0.0000000 3.6271731 0.0000000 0.0000000 0.0000000 3.1524936 11 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 -0.4105452 0.0000000 0.3696901 3.6256106 12 In 3.2678162 0.0000000 0.0000000 0.0000000 3.4683793 0.4105452 0.0000000 -0.3696901 3.6256106 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000012 (zyz) -0.00000012 (zyz) -0.00000012 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.900 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.499 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 0.000 0.000) 0.000 19.148 ( 0.000 0.000 0.000) 0.000 26.082 ( 0.000 0.000 0.000) 0.000 26.604 ( 0.000 0.000 0.000) 0.000 27.314 ( 0.000 0.000 0.000) 0.000 27.359 ( 0.000 0.000 0.000) 0.000 30.176 ( 0.000 0.000 0.000) 0.000 30.912 ( 0.000 0.000 0.000) 0.000 32.718 ( 0.000 0.000 0.000) 0.000 33.828 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 22.954 -18.480 0.000) 29.468 0.760 ( 30.632 -19.162 0.000) 36.132 1.267 ( 65.527 -11.660 0.000) 66.556 2.622 ( 2.382 -0.412 0.000) 2.418 3.666 ( -0.831 3.782 0.000) 3.872 3.966 ( 32.854 22.132 0.000) 39.613 4.739 ( -5.503 -3.182 0.000) 6.357 5.065 ( -6.868 -0.177 0.000) 6.871 5.533 ( 7.353 -2.626 0.000) 7.808 6.294 ( 11.404 3.979 0.000) 12.078 6.479 ( -21.801 -6.018 0.000) 22.617 7.029 ( 1.528 0.266 0.000) 1.551 7.315 ( 20.255 6.817 0.000) 21.371 8.203 ( 32.805 44.481 0.000) 55.270 8.601 ( -1.542 0.898 0.000) 1.784 9.475 ( -8.787 -4.078 0.000) 9.687 11.219 ( -7.836 10.876 0.000) 13.405 11.612 ( -11.442 -0.559 0.000) 11.455 12.229 ( -1.616 -4.905 0.000) 5.164 13.436 ( 4.122 2.435 0.000) 4.787 13.506 ( -13.634 -12.077 0.000) 18.214 13.986 ( 7.297 -2.389 0.000) 7.678 15.190 ( 7.647 9.462 0.000) 12.166 15.304 ( 0.667 -1.186 0.000) 1.360 15.463 ( -4.501 -1.508 0.000) 4.747 15.743 ( -11.360 -25.046 0.000) 27.502 18.469 ( 0.320 2.870 0.000) 2.888 19.156 ( -1.537 -3.574 0.000) 3.890 26.169 ( 8.826 -1.067 0.000) 8.890 27.245 ( 9.460 12.913 0.000) 16.008 27.369 ( -1.000 -4.018 0.000) 4.141 29.078 ( 68.384 116.094 0.000) 134.737 30.254 ( 8.780 0.811 0.000) 8.817 32.714 ( -60.195 -90.325 0.000) 108.545 32.735 ( 1.650 -0.458 0.000) 1.713 33.801 ( -2.672 0.563 0.000) 2.731 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 21.234 -17.367 0.000) 27.432 1.454 ( 27.852 -14.309 0.000) 31.313 2.475 ( 59.970 -11.923 0.000) 61.144 2.666 ( 1.454 -0.132 0.000) 1.459 3.588 ( -1.294 6.334 0.000) 6.465 4.390 ( 35.373 7.836 0.000) 36.231 4.691 ( -5.301 -6.194 0.000) 8.153 4.904 ( -11.888 -0.563 0.000) 11.901 5.706 ( 6.869 -3.517 0.000) 7.717 6.135 ( -23.127 -2.885 0.000) 23.306 6.497 ( 18.522 6.352 0.000) 19.581 7.037 ( 1.290 2.960 0.000) 3.229 7.618 ( 24.794 8.547 0.000) 26.225 8.304 ( 14.105 8.289 0.000) 16.360 8.538 ( -4.470 1.750 0.000) 4.800 9.322 ( -9.040 3.980 0.000) 9.877 10.861 ( -14.168 17.200 0.000) 22.284 11.389 ( -14.556 -0.782 0.000) 14.577 12.276 ( -2.478 -9.635 0.000) 9.949 13.378 ( -8.610 0.570 0.000) 8.629 13.499 ( 6.523 2.874 0.000) 7.128 14.156 ( 8.846 -1.591 0.000) 8.988 15.223 ( 5.179 4.064 0.000) 6.584 15.322 ( -0.564 -0.655 0.000) 0.864 15.406 ( -3.611 -2.159 0.000) 4.207 15.856 ( -1.768 -14.218 0.000) 14.328 18.435 ( 0.406 4.032 0.000) 4.052 19.173 ( -2.359 -5.289 0.000) 5.792 26.365 ( 11.737 -0.463 0.000) 11.746 27.243 ( -0.556 1.330 0.000) 1.441 27.445 ( 5.515 -3.492 0.000) 6.528 28.903 ( 25.284 54.853 0.000) 60.400 30.421 ( 10.010 -0.714 0.000) 10.036 32.709 ( -27.783 -41.467 0.000) 49.914 32.785 ( 3.286 -0.959 0.000) 3.423 33.727 ( -4.921 1.069 0.000) 5.035 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 18.099 -14.467 0.000) 23.171 1.997 ( 20.925 -5.855 0.000) 21.729 2.646 ( -2.163 2.375 0.000) 3.213 3.500 ( -0.753 5.070 0.000) 5.125 3.552 ( 50.471 -10.642 0.000) 51.580 4.697 ( -13.365 -2.276 0.000) 13.557 4.731 ( 0.113 -9.274 0.000) 9.275 4.941 ( 35.101 3.362 0.000) 35.262 5.686 ( -14.346 3.700 0.000) 14.815 5.904 ( -6.085 -8.691 0.000) 10.609 6.762 ( 21.533 7.744 0.000) 22.883 7.015 ( 0.467 2.816 0.000) 2.854 7.938 ( 20.477 4.875 0.000) 21.049 8.396 ( -9.706 2.501 0.000) 10.023 8.482 ( 11.029 -0.794 0.000) 11.058 9.087 ( -9.647 8.686 0.000) 12.981 10.403 ( -15.184 17.115 0.000) 22.879 11.160 ( -12.434 -0.181 0.000) 12.436 12.365 ( -2.387 -13.553 0.000) 13.762 13.211 ( -6.353 6.187 0.000) 8.868 13.581 ( 6.378 2.434 0.000) 6.827 14.301 ( 6.906 0.106 0.000) 6.906 15.270 ( 3.866 1.731 0.000) 4.236 15.291 ( -2.620 -0.074 0.000) 2.621 15.404 ( -0.268 -2.180 0.000) 2.197 15.991 ( 1.241 -9.881 0.000) 9.958 18.397 ( 0.310 3.521 0.000) 3.534 19.192 ( -2.303 -4.978 0.000) 5.485 26.541 ( 8.909 1.311 0.000) 9.005 27.202 ( -5.818 -3.997 0.000) 7.058 27.627 ( 10.844 -2.703 0.000) 11.175 28.722 ( 12.096 32.753 0.000) 34.916 30.590 ( 7.659 -2.099 0.000) 7.941 32.706 ( -15.415 -23.205 0.000) 27.859 32.868 ( 4.780 -1.447 0.000) 4.994 33.614 ( -6.442 1.477 0.000) 6.609 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 12.617 -9.596 0.000) 15.852 2.189 ( -0.273 5.713 0.000) 5.720 2.647 ( 7.864 1.208 0.000) 7.956 3.458 ( -0.174 1.282 0.000) 1.293 4.395 ( 35.466 -6.875 0.000) 36.127 4.513 ( -11.209 -2.967 0.000) 11.595 4.900 ( 4.825 -10.982 0.000) 11.995 5.374 ( -9.544 5.450 0.000) 10.990 5.469 ( 25.294 1.579 0.000) 25.343 5.908 ( -6.982 -9.326 0.000) 11.650 7.002 ( -0.364 -0.163 0.000) 0.399 7.044 ( 21.826 8.007 0.000) 23.248 8.147 ( -15.949 2.419 0.000) 16.131 8.169 ( 8.944 -0.614 0.000) 8.965 8.651 ( 5.174 1.859 0.000) 5.498 8.848 ( -2.228 8.880 0.000) 9.155 10.008 ( -10.665 12.091 0.000) 16.122 10.983 ( -8.048 0.083 0.000) 8.048 12.498 ( -1.575 -15.630 0.000) 15.709 13.027 ( -4.303 10.040 0.000) 10.923 13.653 ( 4.493 1.581 0.000) 4.763 14.387 ( 4.003 0.926 0.000) 4.108 15.252 ( -1.980 -0.457 0.000) 2.032 15.314 ( 2.805 0.863 0.000) 2.935 15.427 ( 0.322 -1.344 0.000) 1.382 16.110 ( 1.749 -6.089 0.000) 6.335 18.368 ( 0.168 2.220 0.000) 2.226 19.206 ( -1.599 -3.382 0.000) 3.741 26.640 ( 5.363 2.211 0.000) 5.801 27.144 ( -6.563 -4.826 0.000) 8.146 27.839 ( 9.964 -1.817 0.000) 10.128 28.585 ( 5.945 18.504 0.000) 19.436 30.720 ( 4.544 -2.158 0.000) 5.030 32.708 ( -7.965 -12.262 0.000) 14.622 32.977 ( 5.744 -1.746 0.000) 6.004 33.480 ( -6.934 1.708 0.000) 7.141 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -3.826 4.312 0.000) 5.765 2.337 ( 4.588 -3.353 0.000) 5.683 2.776 ( 5.336 0.729 0.000) 5.385 3.454 ( 0.070 -0.154 0.000) 0.169 4.398 ( -4.677 -1.460 0.000) 4.900 4.871 ( 13.144 -2.288 0.000) 13.342 5.076 ( 2.933 -5.372 0.000) 6.120 5.191 ( -4.744 1.474 0.000) 4.968 5.758 ( 10.350 8.413 0.000) 13.338 5.935 ( -1.946 -11.406 0.000) 11.571 6.995 ( -0.915 -0.581 0.000) 1.084 7.309 ( 15.930 4.734 0.000) 16.618 7.844 ( -14.707 0.207 0.000) 14.709 8.266 ( 1.419 -1.822 0.000) 2.309 8.552 ( -3.274 5.037 0.000) 6.008 8.885 ( 5.031 1.370 0.000) 5.215 9.791 ( -3.640 4.250 0.000) 5.596 10.890 ( -2.747 0.048 0.000) 2.747 12.659 ( -0.075 -15.244 0.000) 15.245 12.841 ( -2.053 13.095 0.000) 13.254 13.694 ( 1.613 0.540 0.000) 1.701 14.422 ( 1.266 0.496 0.000) 1.360 15.233 ( -0.639 -0.213 0.000) 0.674 15.342 ( 1.025 0.228 0.000) 1.050 15.441 ( 0.155 -0.448 0.000) 0.474 16.179 ( 0.766 -2.077 0.000) 2.214 18.353 ( 0.050 0.741 0.000) 0.743 19.214 ( -0.564 -1.183 0.000) 1.311 26.683 ( 1.992 1.149 0.000) 2.300 27.099 ( -2.995 -2.179 0.000) 3.703 27.977 ( 3.945 -0.629 0.000) 3.995 28.511 ( 1.807 6.081 0.000) 6.344 30.789 ( 1.488 -0.902 0.000) 1.740 32.711 ( -2.460 -3.863 0.000) 4.580 33.088 ( 4.220 -1.252 0.000) 4.402 33.356 ( -4.647 1.224 0.000) 4.805 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 30.584 -0.000 0.000) 30.584 1.271 ( 36.356 -0.000 0.000) 36.356 2.323 ( 62.544 -0.000 0.000) 62.544 2.663 ( 1.990 -0.000 0.000) 1.990 3.664 ( -1.913 0.000 0.000) 1.913 4.529 ( 28.345 -0.000 0.000) 28.345 4.618 ( -5.601 0.000 0.000) 5.601 4.900 ( -12.063 0.000 0.000) 12.063 5.658 ( 7.878 -0.000 0.000) 7.878 6.095 ( -21.398 0.000 0.000) 21.398 6.570 ( 17.744 -0.000 0.000) 17.744 7.074 ( 3.074 -0.000 0.000) 3.074 7.741 ( 24.714 -0.000 0.000) 24.714 8.558 ( -4.494 0.000 0.000) 4.494 8.632 ( -1.730 0.000 0.000) 1.730 9.204 ( -11.783 0.000 0.000) 11.783 11.116 ( -11.856 0.000 0.000) 11.856 11.321 ( -19.969 0.000 0.000) 19.969 12.196 ( -0.976 0.000 0.000) 0.976 13.351 ( -2.594 0.000 0.000) 2.594 13.534 ( 5.595 -0.000 0.000) 5.595 14.138 ( 10.681 -0.000 0.000) 10.681 15.314 ( 1.049 -0.000 0.000) 1.049 15.330 ( 0.296 -0.000 0.000) 0.296 15.373 ( -2.548 0.000 0.000) 2.548 15.584 ( 4.881 -0.000 0.000) 4.881 18.497 ( 0.845 -0.000 0.000) 0.845 19.097 ( -2.711 0.000 0.000) 2.711 26.361 ( 13.214 -0.000 0.000) 13.214 27.224 ( -7.401 0.000 0.000) 7.401 27.433 ( 7.453 -0.000 0.000) 7.453 29.931 ( -11.419 0.000 0.000) 11.419 30.857 ( -2.777 0.000 0.000) 2.777 31.491 ( 13.193 -0.000 0.000) 13.193 32.774 ( 3.273 -0.000 0.000) 3.273 33.739 ( -4.955 0.000 0.000) 4.955 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 30.228 -1.800 0.000) 30.282 1.889 ( 32.136 -2.944 0.000) 32.271 2.668 ( -1.733 0.176 0.000) 1.742 3.344 ( 52.425 -5.869 0.000) 52.753 3.603 ( -3.196 2.897 0.000) 4.314 4.577 ( -1.083 -3.593 0.000) 3.753 4.674 ( -13.912 -0.437 0.000) 13.918 5.035 ( 32.816 3.505 0.000) 33.002 5.723 ( -18.077 0.030 0.000) 18.077 5.781 ( 0.448 -2.759 0.000) 2.796 6.884 ( 20.502 2.788 0.000) 20.691 7.107 ( 2.198 3.328 0.000) 3.989 8.107 ( 19.975 6.989 0.000) 21.162 8.435 ( -9.738 0.876 0.000) 9.777 8.548 ( 4.685 7.846 0.000) 9.139 9.055 ( -14.886 -9.802 0.000) 17.823 10.768 ( -17.191 14.697 0.000) 22.617 11.052 ( -17.538 -8.993 0.000) 19.709 12.193 ( -0.557 -2.414 0.000) 2.477 13.298 ( -3.107 1.655 0.000) 3.521 13.621 ( 5.152 0.968 0.000) 5.242 14.310 ( 8.981 0.373 0.000) 8.989 15.297 ( -2.126 1.108 0.000) 2.397 15.323 ( 1.783 1.965 0.000) 2.654 15.366 ( 0.881 -0.873 0.000) 1.240 15.742 ( 4.934 -9.306 0.000) 10.533 18.494 ( 1.204 3.614 0.000) 3.809 19.072 ( -2.908 -4.183 0.000) 5.094 26.572 ( 11.119 1.051 0.000) 11.169 27.099 ( -9.072 -3.249 0.000) 9.636 27.598 ( 11.542 -0.431 0.000) 11.550 29.552 ( -6.674 29.325 0.000) 30.075 30.687 ( 6.453 13.308 0.000) 14.790 31.982 ( 0.939 -35.556 0.000) 35.568 32.846 ( 4.825 -0.472 0.000) 4.848 33.637 ( -6.549 0.508 0.000) 6.568 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 27.441 1.842 0.000) 27.502 2.326 ( 14.260 5.610 0.000) 15.324 2.638 ( 2.382 -1.798 0.000) 2.984 3.505 ( -3.901 2.520 0.000) 4.644 4.208 ( 38.189 -8.335 0.000) 39.088 4.465 ( -10.280 -1.229 0.000) 10.353 4.678 ( 5.012 -7.699 0.000) 9.187 5.396 ( -17.701 -0.853 0.000) 17.721 5.517 ( 25.636 2.805 0.000) 25.789 5.844 ( 3.502 -0.965 0.000) 3.632 7.067 ( -0.201 5.866 0.000) 5.870 7.194 ( 20.545 4.751 0.000) 21.087 8.194 ( -16.927 1.620 0.000) 17.005 8.223 ( 5.599 6.147 0.000) 8.315 8.665 ( 8.812 0.201 0.000) 8.815 8.902 ( -11.625 -5.159 0.000) 12.719 10.302 ( -16.956 13.625 0.000) 21.752 10.890 ( -12.652 -7.924 0.000) 14.929 12.242 ( 0.703 -6.473 0.000) 6.511 13.213 ( -1.622 5.929 0.000) 6.146 13.682 ( 3.081 0.942 0.000) 3.222 14.421 ( 5.367 1.637 0.000) 5.611 15.255 ( -1.126 0.888 0.000) 1.434 15.339 ( 1.691 1.056 0.000) 1.994 15.397 ( 1.198 -1.068 0.000) 1.605 15.929 ( 4.512 -8.715 0.000) 9.814 18.462 ( 1.289 5.380 0.000) 5.533 19.089 ( -2.161 -6.200 0.000) 6.566 26.698 ( 5.959 2.783 0.000) 6.577 27.003 ( -7.783 -6.213 0.000) 9.959 27.810 ( 11.312 -0.854 0.000) 11.344 29.145 ( -3.467 26.789 0.000) 27.012 30.712 ( 4.806 2.018 0.000) 5.212 32.307 ( 0.726 -21.560 0.000) 21.572 32.948 ( 6.093 -0.861 0.000) 6.153 33.509 ( -7.283 0.880 0.000) 7.336 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -4.869 10.747 0.000) 11.798 2.415 ( 21.548 8.403 0.000) 23.128 2.781 ( 4.959 -0.368 0.000) 4.973 3.444 ( -1.517 -0.575 0.000) 1.622 4.376 ( -0.922 -0.502 0.000) 1.049 4.770 ( 16.241 -6.173 0.000) 17.375 4.897 ( 8.131 -9.131 0.000) 12.226 5.168 ( -10.876 -2.722 0.000) 11.211 5.718 ( -1.895 -3.286 0.000) 3.793 6.028 ( 22.222 8.385 0.000) 23.751 7.000 ( -1.060 2.841 0.000) 3.032 7.448 ( 13.883 6.492 0.000) 15.326 7.850 ( -18.792 0.239 0.000) 18.794 8.231 ( 0.005 0.132 0.000) 0.132 8.649 ( -6.921 1.814 0.000) 7.155 8.867 ( -1.169 -3.134 0.000) 3.345 9.926 ( -12.180 7.632 0.000) 14.374 10.804 ( -7.320 -7.153 0.000) 10.235 12.365 ( 2.724 -9.870 0.000) 10.239 13.115 ( 1.005 10.328 0.000) 10.377 13.702 ( 0.061 0.254 0.000) 0.261 14.459 ( 1.915 2.316 0.000) 3.005 15.241 ( 0.565 0.858 0.000) 1.027 15.349 ( 0.327 0.493 0.000) 0.591 15.427 ( 0.944 -0.853 0.000) 1.272 16.081 ( 3.229 -6.043 0.000) 6.852 18.423 ( 1.292 5.166 0.000) 5.325 19.131 ( -1.044 -5.792 0.000) 5.886 26.712 ( -0.946 1.499 0.000) 1.772 26.993 ( -1.479 -5.947 0.000) 6.128 27.967 ( 5.784 -0.155 0.000) 5.786 28.826 ( -3.551 19.244 0.000) 19.569 30.774 ( 3.095 -0.306 0.000) 3.110 32.524 ( 3.118 -11.901 0.000) 12.303 33.065 ( 6.165 -0.731 0.000) 6.208 33.378 ( -6.503 0.758 0.000) 6.547 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -0.002 6.516 0.000) 6.516 2.574 ( 13.189 16.134 0.000) 20.839 2.754 ( -7.790 -1.118 0.000) 7.870 3.448 ( 0.109 -0.669 0.000) 0.678 4.440 ( 8.833 2.186 0.000) 9.099 4.867 ( -10.382 -2.338 0.000) 10.641 5.092 ( -4.131 -6.273 0.000) 7.511 5.101 ( 5.619 -3.288 0.000) 6.510 5.656 ( -6.390 -0.434 0.000) 6.405 6.253 ( 16.060 14.232 0.000) 21.458 6.986 ( 1.040 -0.837 0.000) 1.335 7.269 ( -23.397 1.196 0.000) 23.427 7.842 ( 13.144 0.026 0.000) 13.144 8.238 ( -1.007 -3.761 0.000) 3.893 8.519 ( -4.945 2.047 0.000) 5.352 8.811 ( -10.832 -5.159 0.000) 11.998 9.733 ( -5.638 -0.860 0.000) 5.703 10.805 ( -2.012 -6.961 0.000) 7.246 12.553 ( 5.056 -11.282 0.000) 12.363 13.013 ( 3.423 14.632 0.000) 15.027 13.678 ( -3.244 -0.791 0.000) 3.339 14.443 ( -0.667 2.090 0.000) 2.194 15.252 ( 1.934 1.283 0.000) 2.321 15.335 ( -1.844 -0.249 0.000) 1.861 15.447 ( 0.787 -0.073 0.000) 0.790 16.169 ( 1.192 -2.717 0.000) 2.967 18.392 ( 1.240 4.072 0.000) 4.256 19.179 ( 0.076 -4.110 0.000) 4.110 26.661 ( -3.927 -0.711 0.000) 3.991 27.067 ( 2.547 -4.371 0.000) 5.059 27.997 ( -1.505 1.284 0.000) 1.979 28.583 ( -5.284 10.830 0.000) 12.050 30.811 ( 1.360 0.986 0.000) 1.680 32.696 ( 6.274 -4.744 0.000) 7.866 33.121 ( -1.244 1.654 0.000) 2.069 33.324 ( 1.790 -1.566 0.000) 2.378 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 6.652 -0.148 0.000) 6.654 2.501 ( 4.750 23.412 0.000) 23.889 2.594 ( -12.091 -3.084 0.000) 12.478 3.446 ( -0.738 0.027 0.000) 0.739 4.491 ( -32.839 1.670 0.000) 32.882 4.596 ( 13.042 4.320 0.000) 13.739 5.123 ( -0.070 7.473 0.000) 7.474 5.140 ( -6.216 -11.523 0.000) 13.093 5.526 ( -3.742 5.016 0.000) 6.258 6.251 ( 8.234 18.530 0.000) 20.277 6.867 ( -25.702 -6.652 0.000) 26.549 7.022 ( 1.405 0.593 0.000) 1.525 8.094 ( 13.793 -2.031 0.000) 13.942 8.212 ( -9.320 2.039 0.000) 9.541 8.487 ( -1.569 -12.429 0.000) 12.528 8.665 ( -11.238 -5.174 0.000) 12.372 9.760 ( 1.684 -9.863 0.000) 10.005 10.893 ( 2.893 -7.291 0.000) 7.844 12.782 ( 7.069 -10.349 0.000) 12.533 12.898 ( 4.780 17.768 0.000) 18.399 13.612 ( -6.165 -1.941 0.000) 6.464 14.394 ( -2.595 1.575 0.000) 3.035 15.275 ( 2.356 1.592 0.000) 2.844 15.293 ( -3.548 -1.100 0.000) 3.714 15.456 ( 1.005 1.108 0.000) 1.495 16.183 ( -0.743 0.547 0.000) 0.923 18.374 ( 1.056 2.685 0.000) 2.885 19.224 ( 1.052 -1.940 0.000) 2.207 26.601 ( -4.478 -1.181 0.000) 4.631 27.157 ( 1.761 -3.989 0.000) 4.360 27.900 ( -5.839 3.628 0.000) 6.875 28.397 ( -8.526 1.443 0.000) 8.647 30.790 ( -0.763 3.806 0.000) 3.881 32.854 ( 10.213 1.203 0.000) 10.283 33.026 ( -5.262 2.507 0.000) 5.829 33.434 ( 6.509 -2.363 0.000) 6.924 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -6.573 5.740 0.000) 8.726 2.223 ( -1.806 29.427 0.000) 29.482 2.534 ( 0.944 -7.537 0.000) 7.596 3.424 ( -2.256 -1.129 0.000) 2.523 3.754 ( -47.191 6.520 0.000) 47.639 4.770 ( 12.764 4.309 0.000) 13.472 4.903 ( -28.471 -0.792 0.000) 28.482 4.985 ( -0.444 12.352 0.000) 12.360 5.602 ( 12.680 -1.991 0.000) 12.835 6.183 ( 6.990 15.513 0.000) 17.015 6.550 ( -23.424 -10.536 0.000) 25.684 7.010 ( -0.268 1.829 0.000) 1.848 7.888 ( -23.843 -0.414 0.000) 23.846 8.327 ( 9.230 -3.452 0.000) 9.854 8.519 ( -7.696 1.451 0.000) 7.832 8.731 ( 3.050 -20.340 0.000) 20.568 10.008 ( 8.520 -17.734 0.000) 19.675 11.065 ( 7.061 -7.908 0.000) 10.602 12.765 ( 5.376 20.184 0.000) 20.888 13.031 ( 8.631 -9.175 0.000) 12.597 13.517 ( -8.034 -3.066 0.000) 8.599 14.318 ( -4.237 1.734 0.000) 4.578 15.225 ( -5.830 -2.210 0.000) 6.234 15.312 ( 3.346 1.600 0.000) 3.709 15.458 ( 1.790 2.430 0.000) 3.018 16.140 ( -1.527 3.265 0.000) 3.605 18.368 ( 0.718 1.107 0.000) 1.319 19.257 ( 1.728 0.355 0.000) 1.764 26.523 ( -6.047 -0.191 0.000) 6.050 27.189 ( -5.086 -5.553 0.000) 7.530 27.751 ( -3.159 7.815 0.000) 8.429 28.256 ( -12.864 -8.745 0.000) 15.555 30.698 ( -2.982 6.710 0.000) 7.343 32.911 ( -4.679 2.357 0.000) 5.239 33.025 ( 15.158 6.361 0.000) 16.439 33.571 ( 6.296 -2.247 0.000) 6.685 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -6.555 33.520 0.000) 34.155 1.815 ( -13.816 15.773 0.000) 20.968 2.646 ( 1.479 -2.775 0.000) 3.145 2.773 ( -53.759 13.062 0.000) 55.323 3.424 ( -1.749 -6.468 0.000) 6.700 4.339 ( -32.935 4.091 0.000) 33.188 4.877 ( 4.807 9.038 0.000) 10.237 4.945 ( 10.918 4.154 0.000) 11.682 5.771 ( 0.073 1.114 0.000) 1.116 6.222 ( 16.215 5.689 0.000) 17.184 6.297 ( -20.284 -10.872 0.000) 23.014 6.999 ( 0.430 0.503 0.000) 0.661 7.494 ( -22.564 -2.396 0.000) 22.691 8.305 ( -14.010 4.590 0.000) 14.743 8.479 ( 4.321 -3.346 0.000) 5.465 9.014 ( 2.414 -20.043 0.000) 20.187 10.413 ( 11.178 -22.048 0.000) 24.719 11.301 ( 9.473 -8.168 0.000) 12.508 12.627 ( 5.200 19.799 0.000) 20.471 13.287 ( 10.803 -6.874 0.000) 12.805 13.417 ( -8.121 -4.058 0.000) 9.079 14.209 ( -5.324 3.070 0.000) 6.145 15.145 ( -7.070 -3.353 0.000) 7.824 15.348 ( 2.514 1.663 0.000) 3.015 15.469 ( 3.378 3.099 0.000) 4.584 16.073 ( -0.155 5.098 0.000) 5.100 18.374 ( 0.316 -0.680 0.000) 0.750 19.272 ( 1.863 2.546 0.000) 3.155 26.387 ( -8.978 1.489 0.000) 9.101 27.105 ( -13.793 -8.762 0.000) 16.341 27.628 ( 0.826 10.864 0.000) 10.896 28.148 ( -16.703 -15.819 0.000) 23.005 30.545 ( -4.336 8.683 0.000) 9.705 32.818 ( -3.300 1.959 0.000) 3.838 33.238 ( 21.192 10.175 0.000) 23.508 33.692 ( 4.841 -1.984 0.000) 5.232 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -12.898 32.632 0.000) 35.088 1.335 ( -13.035 27.169 0.000) 30.134 1.686 ( -45.738 24.605 0.000) 51.936 2.639 ( -1.901 0.921 0.000) 2.112 3.509 ( 0.097 -9.427 0.000) 9.427 3.745 ( -30.559 3.726 0.000) 30.786 4.873 ( 5.612 8.326 0.000) 10.041 5.081 ( 7.333 1.482 0.000) 7.481 5.632 ( -6.988 5.647 0.000) 8.984 6.125 ( -13.129 -10.576 0.000) 16.859 6.548 ( 20.240 -2.162 0.000) 20.355 6.984 ( -5.229 -3.228 0.000) 6.145 7.226 ( -6.148 3.737 0.000) 7.195 7.913 ( -26.694 4.947 0.000) 27.148 8.560 ( 1.457 -2.716 0.000) 3.082 9.253 ( 0.442 -17.938 0.000) 17.944 10.834 ( 7.736 -21.729 0.000) 23.065 11.546 ( 7.929 -7.223 0.000) 10.725 12.497 ( 3.909 17.117 0.000) 17.557 13.347 ( -5.411 -4.775 0.000) 7.216 13.555 ( 12.667 -4.756 0.000) 13.530 14.075 ( -4.553 4.957 0.000) 6.730 15.065 ( -7.004 -4.094 0.000) 8.113 15.349 ( 0.625 2.597 0.000) 2.671 15.504 ( 3.717 2.270 0.000) 4.355 16.045 ( 4.508 4.894 0.000) 6.654 18.394 ( 0.022 -2.448 0.000) 2.448 19.260 ( 1.265 4.268 0.000) 4.452 26.207 ( -8.509 2.114 0.000) 8.767 26.910 ( -22.899 -10.278 0.000) 25.100 27.522 ( -0.347 8.647 0.000) 8.654 28.018 ( -17.462 -11.878 0.000) 21.120 30.373 ( -3.430 8.876 0.000) 9.516 32.756 ( -1.674 1.444 0.000) 2.210 33.532 ( 26.319 9.144 0.000) 27.862 33.777 ( 2.639 -1.606 0.000) 3.089 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 27.397 0.000) 27.397 0.833 ( 0.000 35.437 0.000) 35.437 0.869 ( 0.000 42.068 0.000) 42.068 2.607 ( 0.000 0.882 0.000) 0.882 3.303 ( 0.000 9.542 0.000) 9.542 3.609 ( -0.000 -7.374 0.000) 7.374 4.845 ( 0.000 6.110 0.000) 6.110 5.132 ( 0.000 0.956 0.000) 0.956 5.503 ( 0.000 4.564 0.000) 4.564 6.119 ( -0.000 -8.438 0.000) 8.438 6.836 ( -0.000 -7.181 0.000) 7.181 6.946 ( -0.000 -6.037 0.000) 6.037 7.256 ( 0.000 15.256 0.000) 15.256 7.307 ( 0.000 9.215 0.000) 9.215 8.598 ( -0.000 -1.847 0.000) 1.847 9.440 ( -0.000 -14.333 0.000) 14.333 11.127 ( -0.000 -17.430 0.000) 17.430 11.689 ( -0.000 -4.188 0.000) 4.188 12.366 ( 0.000 12.595 0.000) 12.595 13.354 ( -0.000 -4.644 0.000) 4.644 13.768 ( -0.000 -5.673 0.000) 5.673 13.969 ( 0.000 5.287 0.000) 5.287 15.026 ( -0.000 -2.757 0.000) 2.757 15.322 ( 0.000 2.588 0.000) 2.588 15.518 ( 0.000 1.575 0.000) 1.575 16.107 ( -0.000 -0.589 0.000) 0.589 18.429 ( -0.000 -3.509 0.000) 3.509 19.219 ( 0.000 4.882 0.000) 4.882 26.099 ( 0.000 1.436 0.000) 1.436 26.622 ( 0.000 1.589 0.000) 1.589 27.434 ( 0.000 5.993 0.000) 5.993 27.879 ( -0.000 -0.108 0.000) 0.108 30.252 ( 0.000 6.654 0.000) 6.654 32.729 ( 0.000 0.929 0.000) 0.929 33.815 ( -0.000 -1.120 0.000) 1.120 33.829 ( -0.000 -2.455 0.000) 2.455 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 32.332 -0.000 0.000) 32.332 2.402 ( 27.508 -0.000 0.000) 27.508 2.603 ( -5.760 0.000 0.000) 5.760 3.540 ( -5.980 0.000 0.000) 5.980 4.098 ( 39.056 -0.000 0.000) 39.056 4.454 ( -10.133 0.000 0.000) 10.133 4.585 ( 4.469 -0.000 0.000) 4.469 5.382 ( -18.542 0.000 0.000) 18.542 5.591 ( 29.525 -0.000 0.000) 29.525 5.793 ( 0.102 -0.000 0.000) 0.102 7.162 ( 1.231 -0.000 0.000) 1.231 7.248 ( 20.206 -0.000 0.000) 20.206 8.214 ( -17.096 0.000 0.000) 17.096 8.371 ( 4.368 -0.000 0.000) 4.368 8.700 ( 8.458 -0.000 0.000) 8.458 8.718 ( -14.691 0.000 0.000) 14.691 10.551 ( -23.527 0.000 0.000) 23.527 10.704 ( -10.091 0.000 0.000) 10.091 12.180 ( 0.725 -0.000 0.000) 0.725 13.281 ( -0.378 0.000 0.000) 0.378 13.693 ( 2.544 -0.000 0.000) 2.544 14.442 ( 5.872 -0.000 0.000) 5.872 15.278 ( -0.869 0.000 0.000) 0.869 15.338 ( 0.227 -0.000 0.000) 0.227 15.396 ( 1.840 -0.000 0.000) 1.840 15.806 ( 7.449 -0.000 0.000) 7.449 18.546 ( 2.064 -0.000 0.000) 2.064 18.996 ( -2.738 0.000 0.000) 2.738 26.742 ( 7.737 -0.000 0.000) 7.737 26.917 ( -9.460 0.000 0.000) 9.460 27.800 ( 11.730 -0.000 0.000) 11.730 29.513 ( -12.746 0.000 0.000) 12.746 30.776 ( -1.002 0.000 0.000) 1.002 31.969 ( 14.055 -0.000 0.000) 14.055 32.938 ( 6.212 -0.000 0.000) 6.212 33.519 ( -7.412 0.000 0.000) 7.412 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -5.805 6.399 0.000) 8.640 2.602 ( 30.437 5.682 0.000) 30.963 2.759 ( 8.966 -1.291 0.000) 9.059 3.434 ( -4.387 -0.214 0.000) 4.393 4.374 ( 1.654 0.152 0.000) 1.661 4.631 ( 18.845 -4.490 0.000) 19.373 4.727 ( 8.734 -4.660 0.000) 9.899 5.114 ( -13.362 -1.342 0.000) 13.430 5.748 ( -0.170 3.952 0.000) 3.956 6.069 ( 22.397 -2.995 0.000) 22.596 7.135 ( -0.103 6.006 0.000) 6.007 7.560 ( 17.046 2.752 0.000) 17.267 7.854 ( -23.980 0.101 0.000) 23.980 8.310 ( -2.856 6.947 0.000) 7.511 8.567 ( -10.266 -8.935 0.000) 13.610 8.800 ( -0.265 -1.207 0.000) 1.236 10.111 ( -20.316 7.023 0.000) 21.495 10.616 ( -7.087 -7.379 0.000) 10.231 12.227 ( 3.308 -2.654 0.000) 4.241 13.281 ( 2.802 3.889 0.000) 4.794 13.707 ( -0.851 0.126 0.000) 0.860 14.504 ( 2.175 1.205 0.000) 2.487 15.269 ( 0.895 1.337 0.000) 1.609 15.350 ( 0.309 -0.724 0.000) 0.787 15.416 ( 0.862 0.202 0.000) 0.885 15.953 ( 6.257 -3.881 0.000) 7.363 18.555 ( 2.378 4.985 0.000) 5.523 18.988 ( -1.715 -5.265 0.000) 5.538 26.753 ( -5.232 1.981 0.000) 5.595 26.873 ( 2.093 -4.005 0.000) 4.519 27.968 ( 7.197 0.072 0.000) 7.198 29.221 ( -11.926 11.608 0.000) 16.643 30.780 ( 2.524 0.589 0.000) 2.592 32.257 ( 11.705 -8.609 0.000) 14.530 33.055 ( 7.142 -0.233 0.000) 7.145 33.390 ( -7.435 0.253 0.000) 7.439 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -3.126 9.052 0.000) 9.576 2.730 ( -10.631 -0.928 0.000) 10.672 2.959 ( 24.403 15.215 0.000) 28.758 3.429 ( 1.320 -0.834 0.000) 1.561 4.495 ( 12.909 2.521 0.000) 13.153 4.783 ( -7.951 -4.733 0.000) 9.253 4.965 ( -7.672 -3.909 0.000) 8.611 4.966 ( 10.523 -7.066 0.000) 12.675 5.695 ( -0.930 3.190 0.000) 3.323 6.443 ( 19.497 0.745 0.000) 19.511 7.053 ( 0.666 7.867 0.000) 7.895 7.330 ( -29.442 3.143 0.000) 29.609 7.845 ( 13.441 0.215 0.000) 13.442 8.191 ( -5.280 0.941 0.000) 5.363 8.521 ( -4.942 -5.449 0.000) 7.356 8.690 ( -15.071 -2.766 0.000) 15.322 9.748 ( -15.456 1.825 0.000) 15.564 10.619 ( -2.960 -8.147 0.000) 8.668 12.357 ( 6.414 -5.691 0.000) 8.575 13.284 ( 5.703 8.705 0.000) 10.407 13.663 ( -4.388 -0.450 0.000) 4.411 14.496 ( -0.573 2.123 0.000) 2.199 15.280 ( 1.781 1.009 0.000) 2.047 15.342 ( -1.322 0.985 0.000) 1.648 15.435 ( 1.096 -0.908 0.000) 1.423 16.084 ( 3.510 -3.928 0.000) 5.267 18.524 ( 2.243 6.961 0.000) 7.314 19.044 ( -0.416 -7.183 0.000) 7.195 26.654 ( -4.657 0.110 0.000) 4.659 26.955 ( 1.577 -4.496 0.000) 4.764 28.029 ( 0.797 1.220 0.000) 1.457 28.881 ( -11.351 12.711 0.000) 17.042 30.835 ( 4.521 1.172 0.000) 4.670 32.540 ( 10.768 -7.530 0.000) 13.140 33.160 ( 3.200 1.623 0.000) 3.588 33.287 ( -2.545 -1.542 0.000) 2.976 ======================= Grid point 27 (20/144) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 4.299 6.338 0.000) 7.658 2.522 ( -14.863 -3.078 0.000) 15.178 3.074 ( 15.735 24.917 0.000) 29.469 3.451 ( 0.546 0.276 0.000) 0.612 4.484 ( -30.283 -2.166 0.000) 30.361 4.704 ( 15.666 5.177 0.000) 16.499 4.925 ( -5.398 -6.841 0.000) 8.715 5.191 ( 8.164 -1.739 0.000) 8.347 5.649 ( 1.142 5.190 0.000) 5.314 6.642 ( 10.244 12.683 0.000) 16.303 6.781 ( -31.750 -0.841 0.000) 31.761 7.025 ( 3.546 1.678 0.000) 3.923 8.060 ( 11.220 -1.014 0.000) 11.266 8.137 ( -3.973 -7.432 0.000) 8.427 8.346 ( -24.395 -0.155 0.000) 24.395 8.535 ( -3.665 -6.327 0.000) 7.312 9.565 ( -9.082 -7.147 0.000) 11.557 10.698 ( 0.929 -8.842 0.000) 8.890 12.566 ( 8.772 -7.843 0.000) 11.767 13.269 ( 7.160 13.736 0.000) 15.491 13.572 ( -7.397 -1.463 0.000) 7.540 14.445 ( -2.069 2.533 0.000) 3.270 15.266 ( -4.997 -1.061 0.000) 5.108 15.324 ( 3.126 2.532 0.000) 4.023 15.469 ( 2.082 -0.062 0.000) 2.083 16.154 ( 0.385 -2.540 0.000) 2.569 18.482 ( 2.008 6.614 0.000) 6.912 19.125 ( 0.556 -6.498 0.000) 6.522 26.589 ( -2.961 0.193 0.000) 2.967 27.018 ( -2.100 -6.773 0.000) 7.091 27.982 ( -2.522 3.128 0.000) 4.018 28.554 ( -12.157 9.752 0.000) 15.585 30.885 ( 4.554 4.464 0.000) 6.377 32.799 ( 11.616 -4.974 0.000) 12.636 33.087 ( -5.021 2.794 0.000) 5.746 33.376 ( 6.377 -2.611 0.000) 6.891 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 4.158 6.114 0.000) 7.394 2.341 ( -6.460 -8.422 0.000) 10.614 2.935 ( 5.099 31.058 0.000) 31.474 3.436 ( -1.321 1.551 0.000) 2.037 3.858 ( -40.585 3.349 0.000) 40.723 4.854 ( -13.120 -3.598 0.000) 13.605 4.889 ( 13.094 6.072 0.000) 14.434 5.243 ( 3.220 9.119 0.000) 9.671 5.641 ( 6.385 4.992 0.000) 8.105 6.321 ( -27.477 -8.577 0.000) 28.785 6.560 ( 2.415 16.461 0.000) 16.637 7.066 ( 2.171 2.647 0.000) 3.423 7.883 ( -28.732 -1.395 0.000) 28.766 8.249 ( 7.935 -3.237 0.000) 8.570 8.254 ( -0.295 -18.280 0.000) 18.282 8.536 ( -2.209 -1.077 0.000) 2.457 9.610 ( -1.724 -17.077 0.000) 17.163 10.849 ( 4.209 -10.061 0.000) 10.906 12.822 ( 9.880 -8.792 0.000) 13.225 13.212 ( 7.226 18.164 0.000) 19.548 13.451 ( -9.209 -2.606 0.000) 9.570 14.373 ( -2.721 2.880 0.000) 3.962 15.172 ( -7.661 -2.282 0.000) 7.993 15.359 ( 3.843 2.395 0.000) 4.528 15.504 ( 2.871 1.412 0.000) 3.199 16.158 ( -1.963 -1.011 0.000) 2.208 18.445 ( 1.612 5.497 0.000) 5.729 19.204 ( 1.161 -4.852 0.000) 4.989 26.534 ( -3.229 1.202 0.000) 3.446 27.015 ( -8.638 -8.319 0.000) 11.992 27.909 ( 0.374 5.162 0.000) 5.175 28.247 ( -13.784 5.428 0.000) 14.814 30.877 ( 3.003 8.801 0.000) 9.299 32.971 ( -4.604 2.805 0.000) 5.392 33.053 ( 13.256 -2.690 0.000) 13.526 33.516 ( 6.257 -2.554 0.000) 6.758 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -6.516 7.840 0.000) 10.194 2.522 ( 7.578 -6.652 0.000) 10.083 2.523 ( -17.586 25.331 0.000) 30.837 3.107 ( -28.578 20.258 0.000) 35.030 3.364 ( -4.610 1.437 0.000) 4.829 4.512 ( -21.979 8.848 0.000) 23.693 5.009 ( 8.717 5.076 0.000) 10.087 5.167 ( 4.833 12.543 0.000) 13.442 5.760 ( 7.236 -0.672 0.000) 7.267 6.028 ( -21.889 -12.374 0.000) 25.144 6.407 ( -0.643 9.906 0.000) 9.927 7.039 ( -3.029 1.855 0.000) 3.551 7.486 ( -14.629 1.356 0.000) 14.692 8.380 ( -9.854 -4.027 0.000) 10.645 8.393 ( 3.927 -4.133 0.000) 5.701 8.557 ( 2.573 -13.728 0.000) 13.967 9.877 ( 4.161 -24.985 0.000) 25.329 11.063 ( 6.213 -11.672 0.000) 13.223 13.064 ( 5.750 3.862 0.000) 6.927 13.137 ( 10.856 7.954 0.000) 13.458 13.328 ( -9.077 -3.642 0.000) 9.781 14.288 ( -2.881 3.738 0.000) 4.720 15.066 ( -8.567 -3.605 0.000) 9.295 15.395 ( 3.551 2.480 0.000) 4.332 15.534 ( 3.253 2.471 0.000) 4.085 16.121 ( -2.608 -0.029 0.000) 2.608 18.413 ( 1.033 4.045 0.000) 4.175 19.270 ( 1.345 -2.782 0.000) 3.090 26.430 ( -7.060 2.237 0.000) 7.406 26.923 ( -11.525 -6.844 0.000) 13.404 27.870 ( 1.722 9.257 0.000) 9.416 27.983 ( -11.673 -1.327 0.000) 11.748 30.788 ( 0.787 12.433 0.000) 12.458 32.872 ( -3.295 2.699 0.000) 4.259 33.314 ( 14.390 -1.636 0.000) 14.482 33.640 ( 4.788 -2.497 0.000) 5.400 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -37.171 14.484 0.000) 39.893 1.870 ( -3.981 18.107 0.000) 18.539 2.477 ( -5.350 42.952 0.000) 43.283 2.648 ( 1.541 -0.618 0.000) 1.660 3.307 ( -3.072 -6.002 0.000) 6.743 3.998 ( -19.028 15.850 0.000) 24.765 5.083 ( 7.386 8.155 0.000) 11.003 5.153 ( 6.184 6.516 0.000) 8.984 5.760 ( -4.261 4.947 0.000) 6.529 5.844 ( -15.961 -13.531 0.000) 20.925 6.440 ( 7.743 -5.250 0.000) 9.355 6.904 ( -11.912 -4.007 0.000) 12.568 7.410 ( 11.431 10.400 0.000) 15.454 8.096 ( -18.776 8.076 0.000) 20.439 8.481 ( 1.262 -4.124 0.000) 4.313 8.798 ( 0.784 -20.183 0.000) 20.198 10.267 ( 4.826 -28.049 0.000) 28.461 11.306 ( 5.334 -12.828 0.000) 13.893 12.937 ( 3.241 20.263 0.000) 20.520 13.240 ( -6.057 -4.459 0.000) 7.521 13.389 ( 9.930 -8.465 0.000) 13.049 14.193 ( -2.286 5.166 0.000) 5.649 14.972 ( -7.049 -4.182 0.000) 8.196 15.414 ( 1.992 3.020 0.000) 3.618 15.559 ( 2.767 2.417 0.000) 3.674 16.086 ( -1.176 -0.122 0.000) 1.183 18.390 ( 0.415 2.195 0.000) 2.234 19.309 ( 0.963 -0.397 0.000) 1.042 26.259 ( -8.595 2.390 0.000) 8.921 26.790 ( -9.797 -1.920 0.000) 9.983 27.702 ( -6.285 5.937 0.000) 8.646 27.927 ( -0.011 1.320 0.000) 1.320 30.635 ( -0.691 13.976 0.000) 13.993 32.800 ( -1.694 2.389 0.000) 2.929 33.572 ( 12.302 -2.872 0.000) 12.633 33.731 ( 2.598 -2.341 0.000) 3.498 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 18.622 0.000) 18.622 1.562 ( 0.000 27.907 0.000) 27.907 1.907 ( 0.000 48.702 0.000) 48.702 2.637 ( 0.000 1.733 0.000) 1.733 3.390 ( -0.000 -10.781 0.000) 10.781 3.615 ( 0.000 17.403 0.000) 17.403 5.035 ( 0.000 10.317 0.000) 10.317 5.176 ( 0.000 3.116 0.000) 3.116 5.635 ( 0.000 6.610 0.000) 6.610 5.855 ( -0.000 -14.315 0.000) 14.315 6.640 ( -0.000 -10.095 0.000) 10.095 6.824 ( -0.000 -4.778 0.000) 4.778 7.534 ( 0.000 10.678 0.000) 10.678 7.634 ( 0.000 16.422 0.000) 16.422 8.535 ( -0.000 -3.606 0.000) 3.606 9.031 ( -0.000 -20.279 0.000) 20.279 10.626 ( -0.000 -26.313 0.000) 26.313 11.501 ( -0.000 -11.913 0.000) 11.913 12.741 ( 0.000 19.464 0.000) 19.464 13.239 ( -0.000 -5.046 0.000) 5.046 13.593 ( -0.000 -9.328 0.000) 9.328 14.105 ( 0.000 6.181 0.000) 6.181 14.949 ( -0.000 -3.893 0.000) 3.893 15.393 ( 0.000 3.456 0.000) 3.456 15.561 ( 0.000 2.066 0.000) 2.066 16.089 ( -0.000 -1.056 0.000) 1.056 18.380 ( -0.000 -0.089 0.000) 0.089 19.308 ( 0.000 2.116 0.000) 2.116 26.143 ( 0.000 2.420 0.000) 2.420 26.672 ( 0.000 2.737 0.000) 2.737 27.582 ( 0.000 5.904 0.000) 5.904 27.899 ( 0.000 2.441 0.000) 2.441 30.472 ( 0.000 12.658 0.000) 12.658 32.761 ( 0.000 1.937 0.000) 1.937 33.746 ( -0.000 -4.875 0.000) 4.875 33.779 ( -0.000 -2.046 0.000) 2.046 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -3.712 0.000 0.000) 3.712 2.717 ( -12.439 0.000 0.000) 12.439 3.151 ( 28.447 -0.000 0.000) 28.447 3.418 ( 2.202 -0.000 0.000) 2.202 4.533 ( 15.600 -0.000 0.000) 15.600 4.710 ( -7.148 0.000 0.000) 7.148 4.866 ( 10.626 -0.000 0.000) 10.626 4.926 ( -7.641 0.000 0.000) 7.641 5.748 ( -1.225 0.000 0.000) 1.225 6.411 ( 19.280 -0.000 0.000) 19.280 7.186 ( 1.736 -0.000 0.000) 1.736 7.371 ( -31.348 0.000 0.000) 31.348 7.848 ( 13.920 -0.000 0.000) 13.920 8.303 ( -9.831 0.000 0.000) 9.831 8.319 ( -4.919 0.000 0.000) 4.919 8.681 ( -12.675 0.000 0.000) 12.675 9.780 ( -21.274 0.000 0.000) 21.274 10.510 ( -1.251 0.000 0.000) 1.251 12.295 ( 6.446 -0.000 0.000) 6.446 13.385 ( 6.482 -0.000 0.000) 6.482 13.658 ( -4.802 0.000 0.000) 4.802 14.522 ( -0.631 0.000 0.000) 0.631 15.293 ( 0.097 -0.000 0.000) 0.097 15.360 ( 1.415 -0.000 0.000) 1.415 15.419 ( 0.018 -0.000 0.000) 0.018 16.032 ( 4.887 -0.000 0.000) 4.887 18.637 ( 3.207 -0.000 0.000) 3.207 18.928 ( -1.226 0.000 0.000) 1.226 26.658 ( -4.806 0.000 0.000) 4.806 26.898 ( 1.246 -0.000 0.000) 1.246 28.044 ( 1.591 -0.000 0.000) 1.591 29.043 ( -15.360 0.000 0.000) 15.360 30.853 ( 6.037 -0.000 0.000) 6.037 32.438 ( 13.578 -0.000 0.000) 13.578 33.183 ( 7.801 -0.000 0.000) 7.801 33.265 ( -7.102 0.000 0.000) 7.102 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.009 5.513 0.000) 5.513 2.456 ( -15.817 -2.756 0.000) 16.056 3.457 ( 1.906 0.221 0.000) 1.918 3.520 ( 21.545 11.996 0.000) 24.659 4.404 ( -29.599 -3.588 0.000) 29.816 4.824 ( 19.203 4.739 0.000) 19.779 4.843 ( -3.573 -0.994 0.000) 3.708 5.087 ( 11.543 -5.331 0.000) 12.714 5.738 ( 2.184 2.257 0.000) 3.141 6.712 ( 13.578 -2.141 0.000) 13.746 6.796 ( -34.556 1.062 0.000) 34.573 7.179 ( 2.160 7.242 0.000) 7.557 8.047 ( 9.444 -0.227 0.000) 9.446 8.072 ( -13.261 2.739 0.000) 13.541 8.238 ( -18.000 -9.134 0.000) 20.185 8.469 ( -5.496 0.156 0.000) 5.498 9.450 ( -17.823 -2.754 0.000) 18.035 10.543 ( 2.010 -3.899 0.000) 4.387 12.445 ( 9.142 -2.742 0.000) 9.545 13.487 ( 8.370 5.058 0.000) 9.780 13.549 ( -8.028 -0.499 0.000) 8.043 14.490 ( -2.111 1.140 0.000) 2.399 15.249 ( -5.588 -0.361 0.000) 5.599 15.380 ( 2.732 2.052 0.000) 3.417 15.453 ( 2.910 -1.080 0.000) 3.104 16.100 ( 1.718 -1.566 0.000) 2.325 18.648 ( 2.833 6.772 0.000) 7.341 18.959 ( -0.111 -6.836 0.000) 6.837 26.604 ( -1.335 0.706 0.000) 1.510 26.897 ( -3.732 -3.244 0.000) 4.945 28.032 ( -1.552 1.171 0.000) 1.945 28.736 ( -16.622 4.821 0.000) 17.307 30.972 ( 8.830 2.478 0.000) 9.171 32.688 ( 13.112 -3.426 0.000) 13.553 33.142 ( -5.798 1.656 0.000) 6.030 33.325 ( 7.245 -1.571 0.000) 7.414 ======================= Grid point 38 (27/144) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -12.911 -4.833 0.000) 13.785 2.396 ( 6.657 5.079 0.000) 8.373 3.474 ( 1.148 1.528 0.000) 1.911 3.517 ( -9.166 18.557 0.000) 20.698 3.918 ( -19.628 1.650 0.000) 19.697 4.791 ( -4.737 -0.828 0.000) 4.809 5.039 ( 13.996 7.217 0.000) 15.747 5.334 ( 10.616 -1.680 0.000) 10.748 5.767 ( 5.302 4.889 0.000) 7.213 6.209 ( -32.879 -1.208 0.000) 32.902 6.835 ( -0.058 5.517 0.000) 5.517 7.143 ( 3.510 5.136 0.000) 6.221 7.724 ( -30.459 -10.197 0.000) 32.121 8.056 ( -4.722 -0.548 0.000) 4.754 8.188 ( 6.057 -2.017 0.000) 6.383 8.483 ( 1.136 -3.193 0.000) 3.389 9.271 ( -12.025 -11.762 0.000) 16.821 10.656 ( 4.248 -6.284 0.000) 7.585 12.658 ( 10.177 -5.286 0.000) 11.468 13.405 ( -9.804 -1.383 0.000) 9.901 13.543 ( 8.356 10.507 0.000) 13.424 14.432 ( -2.383 2.046 0.000) 3.140 15.129 ( -9.080 -1.421 0.000) 9.191 15.413 ( 3.813 2.237 0.000) 4.421 15.519 ( 3.762 -0.014 0.000) 3.762 16.121 ( -1.395 -1.738 0.000) 2.228 18.602 ( 2.131 8.058 0.000) 8.335 19.053 ( 0.710 -8.053 0.000) 8.084 26.577 ( -0.568 2.552 0.000) 2.615 26.845 ( -8.219 -6.403 0.000) 10.419 27.991 ( -0.258 2.374 0.000) 2.388 28.389 ( -16.758 5.480 0.000) 17.631 31.070 ( 8.614 7.433 0.000) 11.378 32.954 ( 12.495 -4.866 0.000) 13.409 33.030 ( -4.740 2.159 0.000) 5.209 33.463 ( 6.479 -1.941 0.000) 6.763 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -7.996 -7.535 0.000) 10.987 2.498 ( 10.786 4.176 0.000) 11.566 2.838 ( -44.672 6.311 0.000) 45.115 3.446 ( -1.145 4.564 0.000) 4.705 3.704 ( 5.793 26.736 0.000) 27.356 4.661 ( -9.568 4.187 0.000) 10.444 5.139 ( 6.825 6.266 0.000) 9.265 5.437 ( 6.627 9.655 0.000) 11.710 5.770 ( -23.887 -9.135 0.000) 25.574 5.801 ( 5.536 4.645 0.000) 7.227 6.628 ( -11.297 9.076 0.000) 14.491 7.046 ( -15.217 -1.340 0.000) 15.276 7.493 ( -2.072 -4.026 0.000) 4.528 8.082 ( -0.791 -9.245 0.000) 9.279 8.302 ( 3.332 -3.712 0.000) 4.988 8.514 ( -0.218 0.137 0.000) 0.258 9.321 ( -4.926 -22.746 0.000) 23.273 10.824 ( 5.298 -8.697 0.000) 10.184 12.899 ( 9.297 -7.444 0.000) 11.910 13.259 ( -9.410 -2.326 0.000) 9.693 13.529 ( 7.112 15.361 0.000) 16.927 14.366 ( -1.993 2.951 0.000) 3.561 14.990 ( -9.646 -2.883 0.000) 10.068 15.453 ( 3.812 2.452 0.000) 4.532 15.575 ( 3.433 1.140 0.000) 3.617 16.099 ( -3.008 -1.502 0.000) 3.362 18.545 ( 1.478 7.364 0.000) 7.510 19.154 ( 0.909 -7.135 0.000) 7.192 26.486 ( -7.137 2.639 0.000) 7.610 26.795 ( -4.442 -4.646 0.000) 6.428 27.974 ( -0.208 2.126 0.000) 2.136 28.063 ( -12.573 5.113 0.000) 13.573 31.082 ( 5.901 12.733 0.000) 14.034 32.934 ( -3.321 2.591 0.000) 4.212 33.219 ( 11.222 -5.801 0.000) 12.633 33.584 ( 4.844 -2.274 0.000) 5.351 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -39.558 6.727 0.000) 40.126 2.056 ( -2.607 -2.380 0.000) 3.530 2.637 ( 7.881 1.437 0.000) 8.011 3.322 ( -4.704 6.789 0.000) 8.259 3.434 ( 5.515 38.836 0.000) 39.225 4.362 ( -11.411 14.673 0.000) 18.588 5.185 ( 6.633 2.103 0.000) 6.958 5.393 ( 4.060 11.896 0.000) 12.570 5.561 ( -16.037 -9.872 0.000) 18.832 5.839 ( 1.488 2.560 0.000) 2.961 6.375 ( -7.530 0.045 0.000) 7.530 6.811 ( -13.064 -3.987 0.000) 13.659 7.619 ( 14.784 5.507 0.000) 15.776 8.120 ( -10.466 -7.702 0.000) 12.994 8.383 ( 1.038 -4.313 0.000) 4.437 8.503 ( 0.312 -2.351 0.000) 2.371 9.593 ( 0.168 -30.470 0.000) 30.470 11.022 ( 4.138 -11.350 0.000) 12.081 13.121 ( 5.614 -7.541 0.000) 9.402 13.153 ( -6.119 -3.117 0.000) 6.867 13.448 ( 5.490 16.840 0.000) 17.712 14.299 ( -1.265 4.064 0.000) 4.256 14.880 ( -7.075 -3.766 0.000) 8.015 15.481 ( 2.645 2.785 0.000) 3.840 15.607 ( 2.125 1.750 0.000) 2.753 16.066 ( -2.376 -1.375 0.000) 2.745 18.487 ( 0.723 6.175 0.000) 6.218 19.240 ( 0.668 -5.489 0.000) 5.529 26.312 ( -8.454 2.147 0.000) 8.722 26.778 ( -1.270 0.326 0.000) 1.311 27.787 ( -9.665 2.679 0.000) 10.030 28.003 ( 2.594 3.550 0.000) 4.397 30.985 ( 2.322 16.322 0.000) 16.487 32.860 ( -1.706 2.777 0.000) 3.259 33.456 ( 7.747 -6.783 0.000) 10.297 33.675 ( 2.594 -2.472 0.000) 3.583 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 10.597 0.000) 10.597 2.005 ( 0.000 8.790 0.000) 8.790 2.684 ( 0.000 2.398 0.000) 2.398 2.999 ( 0.000 46.125 0.000) 46.125 3.227 ( -0.000 -0.502 0.000) 0.502 4.044 ( 0.000 19.382 0.000) 19.382 5.264 ( 0.000 5.992 0.000) 5.992 5.302 ( 0.000 11.464 0.000) 11.464 5.503 ( -0.000 -16.057 0.000) 16.057 5.780 ( 0.000 5.801 0.000) 5.801 6.405 ( -0.000 -9.663 0.000) 9.663 6.730 ( -0.000 -3.497 0.000) 3.497 7.779 ( 0.000 10.631 0.000) 10.631 7.906 ( 0.000 4.726 0.000) 4.726 8.441 ( -0.000 -4.501 0.000) 4.501 8.610 ( -0.000 -14.046 0.000) 14.046 9.961 ( -0.000 -31.873 0.000) 31.873 11.201 ( -0.000 -13.319 0.000) 13.319 13.138 ( -0.000 -3.838 0.000) 3.838 13.160 ( 0.000 11.797 0.000) 11.797 13.405 ( -0.000 -1.968 0.000) 1.968 14.235 ( 0.000 5.129 0.000) 5.129 14.858 ( -0.000 -3.989 0.000) 3.989 15.470 ( 0.000 3.278 0.000) 3.278 15.606 ( 0.000 1.823 0.000) 1.823 16.060 ( -0.000 -1.417 0.000) 1.417 18.432 ( 0.000 4.516 0.000) 4.516 19.296 ( -0.000 -3.211 0.000) 3.211 26.202 ( 0.000 2.631 0.000) 2.631 26.740 ( 0.000 3.077 0.000) 3.077 27.674 ( 0.000 2.572 0.000) 2.572 27.985 ( 0.000 4.185 0.000) 4.185 30.811 ( 0.000 16.856 0.000) 16.856 32.814 ( 0.000 2.690 0.000) 2.690 33.609 ( -0.000 -7.113 0.000) 7.113 33.726 ( -0.000 -2.504 0.000) 2.504 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -16.092 0.000 0.000) 16.092 2.460 ( 7.140 -0.000 0.000) 7.140 3.494 ( 2.251 -0.000 0.000) 2.251 3.736 ( -44.211 0.000 0.000) 44.211 3.924 ( 16.597 -0.000 0.000) 16.597 4.800 ( -2.012 0.000 0.000) 2.012 5.196 ( 17.920 -0.000 0.000) 17.920 5.226 ( 9.461 -0.000 0.000) 9.461 5.827 ( 6.662 -0.000 0.000) 6.662 6.211 ( -33.597 0.000 0.000) 33.597 6.860 ( 4.316 -0.000 0.000) 4.316 7.234 ( -0.250 0.000 0.000) 0.250 7.597 ( -35.951 0.000 0.000) 35.951 8.066 ( -1.994 0.000 0.000) 1.994 8.164 ( 4.954 -0.000 0.000) 4.954 8.435 ( 1.187 -0.000 0.000) 1.187 9.129 ( -16.438 0.000 0.000) 16.438 10.583 ( 4.714 -0.000 0.000) 4.714 12.596 ( 10.118 -0.000 0.000) 10.118 13.390 ( -9.990 0.000 0.000) 9.990 13.665 ( 8.745 -0.000 0.000) 8.745 14.457 ( -2.392 0.000 0.000) 2.392 15.112 ( -9.646 0.000 0.000) 9.646 15.444 ( 3.345 -0.000 0.000) 3.345 15.514 ( 4.501 -0.000 0.000) 4.501 16.099 ( -0.942 0.000 0.000) 0.942 18.749 ( 3.064 -0.000 0.000) 3.064 18.905 ( -0.246 0.000 0.000) 0.246 26.624 ( 2.763 -0.000 0.000) 2.763 26.755 ( -10.172 0.000 0.000) 10.172 28.018 ( -0.482 0.000 0.000) 0.482 28.455 ( -18.638 0.000 0.000) 18.638 31.164 ( 10.956 -0.000 0.000) 10.956 32.889 ( 12.370 -0.000 0.000) 12.370 33.056 ( -4.935 0.000 0.000) 4.935 33.439 ( 6.719 -0.000 0.000) 6.719 ======================= Grid point 50 (32/144) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -9.512 -4.009 0.000) 10.322 2.588 ( 9.116 2.463 0.000) 9.443 2.918 ( -48.719 1.538 0.000) 48.743 3.529 ( 2.902 2.167 0.000) 3.622 4.119 ( 11.861 8.628 0.000) 14.667 4.741 ( -3.200 2.983 0.000) 4.374 5.289 ( 3.305 7.002 0.000) 7.743 5.452 ( 1.609 -6.795 0.000) 6.983 5.734 ( -14.795 3.391 0.000) 15.179 5.926 ( 6.197 4.477 0.000) 7.645 6.796 ( -10.701 5.104 0.000) 11.856 6.993 ( -28.810 -2.541 0.000) 28.922 7.297 ( 1.608 -8.184 0.000) 8.340 8.058 ( 2.139 2.677 0.000) 3.426 8.235 ( 2.644 -1.840 0.000) 3.221 8.491 ( 3.105 -1.452 0.000) 3.427 8.934 ( -11.865 -9.662 0.000) 15.301 10.689 ( 5.356 -3.041 0.000) 6.159 12.777 ( 8.846 -2.903 0.000) 9.310 13.224 ( -9.503 -0.777 0.000) 9.535 13.772 ( 7.306 5.636 0.000) 9.227 14.414 ( -1.848 1.099 0.000) 2.150 14.943 ( -10.237 -1.101 0.000) 10.296 15.497 ( 3.547 1.147 0.000) 3.728 15.588 ( 3.938 0.161 0.000) 3.942 16.070 ( -2.711 -0.783 0.000) 2.822 18.730 ( 1.758 8.289 0.000) 8.473 18.969 ( 0.532 -8.388 0.000) 8.405 26.542 ( -10.762 1.892 0.000) 10.927 26.711 ( 3.248 -2.448 0.000) 4.068 28.018 ( 0.658 1.324 0.000) 1.478 28.135 ( -16.539 1.349 0.000) 16.594 31.309 ( 9.205 5.989 0.000) 10.981 32.978 ( -3.407 1.134 0.000) 3.591 33.101 ( 9.956 -3.439 0.000) 10.533 33.545 ( 4.981 -0.980 0.000) 5.077 ======================= Grid point 51 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.238 -8.022 0.000) 8.651 2.119 ( -38.687 2.897 0.000) 38.796 2.700 ( 7.099 2.822 0.000) 7.640 3.513 ( 0.792 7.787 0.000) 7.827 4.125 ( 7.581 20.406 0.000) 21.769 4.619 ( -4.034 8.057 0.000) 9.011 5.152 ( -10.675 -4.127 0.000) 11.445 5.444 ( -2.444 -0.159 0.000) 2.449 5.659 ( 5.190 9.712 0.000) 11.012 5.923 ( 1.215 5.165 0.000) 5.306 6.433 ( -16.527 4.488 0.000) 17.126 6.731 ( -10.429 -2.905 0.000) 10.826 7.498 ( 5.817 -13.684 0.000) 14.869 8.061 ( 1.444 3.595 0.000) 3.874 8.297 ( 1.175 -3.058 0.000) 3.275 8.530 ( 0.926 1.591 0.000) 1.841 8.970 ( -4.966 -22.292 0.000) 22.838 10.822 ( 3.785 -6.047 0.000) 7.134 12.952 ( 5.461 -5.929 0.000) 8.061 13.101 ( -6.037 -1.548 0.000) 6.232 13.780 ( 4.476 10.867 0.000) 11.753 14.371 ( -0.991 2.200 0.000) 2.413 14.810 ( -7.002 -2.268 0.000) 7.360 15.534 ( 2.558 1.757 0.000) 3.103 15.636 ( 2.202 0.860 0.000) 2.364 16.035 ( -2.382 -1.178 0.000) 2.657 18.655 ( 0.839 8.391 0.000) 8.432 19.076 ( 0.471 -8.521 0.000) 8.534 26.352 ( -8.383 1.310 0.000) 8.485 26.789 ( 3.646 0.464 0.000) 3.675 27.847 ( -10.802 2.563 0.000) 11.102 28.049 ( 1.196 0.549 0.000) 1.316 31.325 ( 4.722 12.385 0.000) 13.254 32.917 ( -1.732 1.992 0.000) 2.639 33.296 ( 6.011 -6.457 0.000) 8.822 33.626 ( 2.641 -1.692 0.000) 3.137 ======================= Grid point 52 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 5.318 0.000) 5.318 1.968 ( -0.000 -8.301 0.000) 8.301 2.740 ( 0.000 2.403 0.000) 2.403 3.391 ( 0.000 11.774 0.000) 11.774 3.900 ( 0.000 31.543 0.000) 31.543 4.439 ( 0.000 14.603 0.000) 14.603 5.166 ( -0.000 -12.909 0.000) 12.909 5.386 ( 0.000 4.978 0.000) 4.978 5.580 ( 0.000 11.989 0.000) 11.989 5.887 ( 0.000 3.567 0.000) 3.567 6.266 ( -0.000 -1.146 0.000) 1.146 6.665 ( -0.000 -2.239 0.000) 2.239 7.746 ( -0.000 -16.041 0.000) 16.041 7.995 ( 0.000 8.069 0.000) 8.069 8.344 ( -0.000 -3.769 0.000) 3.769 8.505 ( 0.000 2.260 0.000) 2.260 9.238 ( -0.000 -30.222 0.000) 30.222 10.942 ( -0.000 -9.063 0.000) 9.063 13.068 ( -0.000 -2.285 0.000) 2.285 13.082 ( -0.000 -8.009 0.000) 8.009 13.675 ( 0.000 14.722 0.000) 14.722 14.331 ( 0.000 3.298 0.000) 3.298 14.776 ( -0.000 -3.045 0.000) 3.045 15.535 ( 0.000 2.324 0.000) 2.324 15.642 ( 0.000 1.346 0.000) 1.346 16.027 ( -0.000 -1.421 0.000) 1.421 18.572 ( 0.000 7.540 0.000) 7.540 19.172 ( -0.000 -7.416 0.000) 7.416 26.256 ( 0.000 2.002 0.000) 2.002 26.804 ( 0.000 2.424 0.000) 2.424 27.724 ( 0.000 2.128 0.000) 2.128 28.052 ( 0.000 1.487 0.000) 1.487 31.198 ( 0.000 16.317 0.000) 16.317 32.876 ( 0.000 2.548 0.000) 2.548 33.434 ( -0.000 -7.976 0.000) 7.976 33.671 ( -0.000 -2.193 0.000) 2.193 ======================= Grid point 61 (35/144) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -3.736 0.000 0.000) 3.736 2.151 ( -38.340 0.000 0.000) 38.340 2.735 ( 6.024 -0.000 0.000) 6.024 3.608 ( 3.896 -0.000 0.000) 3.896 4.342 ( 8.072 -0.000 0.000) 8.072 4.719 ( -1.943 0.000 0.000) 1.943 5.093 ( -17.804 0.000 0.000) 17.804 5.454 ( 3.425 -0.000 0.000) 3.425 5.783 ( 5.627 -0.000 0.000) 5.627 6.004 ( -2.282 0.000 0.000) 2.282 6.516 ( -16.476 0.000 0.000) 16.476 6.691 ( -7.131 0.000 0.000) 7.131 7.287 ( 1.970 -0.000 0.000) 1.970 8.121 ( 2.261 -0.000 0.000) 2.261 8.258 ( 1.621 -0.000 0.000) 1.621 8.546 ( 3.232 -0.000 0.000) 3.232 8.699 ( -7.867 0.000 0.000) 7.867 10.753 ( 3.723 -0.000 0.000) 3.723 12.882 ( 5.131 -0.000 0.000) 5.131 13.083 ( -5.998 0.000 0.000) 5.998 13.906 ( 4.411 -0.000 0.000) 4.411 14.396 ( -0.957 0.000 0.000) 0.957 14.784 ( -6.964 0.000 0.000) 6.964 15.555 ( 2.356 -0.000 0.000) 2.356 15.646 ( 2.426 -0.000 0.000) 2.426 16.020 ( -2.304 0.000 0.000) 2.304 18.827 ( 1.258 -0.000 0.000) 1.258 18.902 ( -0.001 0.000 0.000) 0.001 26.367 ( -8.417 0.000 0.000) 8.417 26.795 ( 5.371 -0.000 0.000) 5.371 27.883 ( -11.974 0.000 0.000) 11.974 28.049 ( 1.222 -0.000 0.000) 1.222 31.478 ( 5.673 -0.000 0.000) 5.673 32.941 ( -1.754 0.000 0.000) 1.754 33.213 ( 5.474 -0.000 0.000) 5.474 33.606 ( 2.679 -0.000 0.000) 2.679 ======================= Grid point 63 (36/144) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 1.627 0.000) 1.627 1.793 ( -0.000 -4.923 0.000) 4.923 2.782 ( 0.000 1.089 0.000) 1.089 3.614 ( 0.000 5.934 0.000) 5.934 4.364 ( 0.000 9.570 0.000) 9.570 4.671 ( 0.000 5.385 0.000) 5.385 4.956 ( -0.000 -5.039 0.000) 5.039 5.471 ( 0.000 2.081 0.000) 2.081 5.800 ( 0.000 6.067 0.000) 6.067 5.940 ( 0.000 1.164 0.000) 1.164 6.359 ( 0.000 6.502 0.000) 6.502 6.630 ( -0.000 -0.809 0.000) 0.809 7.380 ( -0.000 -12.292 0.000) 12.292 8.124 ( 0.000 3.031 0.000) 3.031 8.283 ( -0.000 -1.469 0.000) 1.469 8.566 ( 0.000 1.779 0.000) 1.779 8.707 ( -0.000 -13.813 0.000) 13.813 10.804 ( -0.000 -3.067 0.000) 3.067 12.946 ( -0.000 -3.323 0.000) 3.323 13.034 ( -0.000 -0.749 0.000) 0.749 13.914 ( 0.000 5.627 0.000) 5.627 14.381 ( 0.000 1.131 0.000) 1.131 14.728 ( -0.000 -1.149 0.000) 1.149 15.571 ( 0.000 0.838 0.000) 0.838 15.664 ( 0.000 0.532 0.000) 0.532 16.002 ( -0.000 -0.638 0.000) 0.638 18.760 ( 0.000 8.712 0.000) 8.712 18.981 ( -0.000 -8.887 0.000) 8.887 26.288 ( 0.000 0.744 0.000) 0.744 26.843 ( 0.000 0.921 0.000) 0.921 27.765 ( 0.000 1.209 0.000) 1.209 28.061 ( -0.000 -0.169 0.000) 0.169 31.484 ( 0.000 7.430 0.000) 7.430 32.919 ( 0.000 1.090 0.000) 1.090 33.285 ( -0.000 -4.141 0.000) 4.141 33.634 ( -0.000 -0.910 0.000) 0.910 ======================= Grid point 125 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 0.000 34.344) 34.344 0.776 ( 0.000 0.000 36.083) 36.083 1.188 ( 0.000 0.000 55.615) 55.615 2.572 ( 0.000 0.000 -2.436) 2.436 3.233 ( 0.000 0.000 3.811) 3.811 3.698 ( 0.000 0.000 -13.302) 13.302 4.711 ( 0.000 0.000 -6.310) 6.310 5.363 ( 0.000 0.000 -11.927) 11.927 6.004 ( 0.000 0.000 -9.980) 9.980 6.281 ( 0.000 0.000 -2.673) 2.673 6.580 ( 0.000 0.000 -4.554) 4.554 6.994 ( 0.000 0.000 -6.913) 6.913 7.151 ( 0.000 0.000 11.819) 11.819 7.449 ( 0.000 0.000 22.053) 22.053 8.591 ( 0.000 0.000 -7.546) 7.546 8.633 ( 0.000 0.000 0.984) 0.984 11.756 ( 0.000 0.000 3.528) 3.528 12.163 ( 0.000 0.000 -3.226) 3.226 12.406 ( 0.000 0.000 6.640) 6.640 13.350 ( 0.000 0.000 -4.887) 4.887 13.427 ( 0.000 0.000 1.132) 1.132 13.869 ( 0.000 0.000 -2.974) 2.974 15.074 ( 0.000 0.000 1.233) 1.233 15.279 ( 0.000 0.000 -0.946) 0.946 15.434 ( 0.000 0.000 -0.121) 0.121 15.492 ( 0.000 0.000 -0.603) 0.603 19.174 ( 0.000 0.000 2.366) 2.366 19.549 ( 0.000 0.000 -1.581) 1.581 26.105 ( 0.000 0.000 2.154) 2.154 26.574 ( 0.000 0.000 -2.710) 2.710 27.316 ( 0.000 0.000 0.153) 0.153 27.356 ( 0.000 0.000 -0.301) 0.301 30.200 ( 0.000 0.000 2.291) 2.291 30.856 ( 0.000 0.000 -5.087) 5.087 33.899 ( 0.000 0.000 6.523) 6.523 34.828 ( 0.000 0.000 -3.644) 3.644 ======================= Grid point 126 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 18.156 -1.582 22.221) 28.739 1.037 ( 17.423 -16.854 24.506) 34.470 1.780 ( 45.568 -8.859 37.776) 59.850 2.612 ( 4.232 -0.594 -1.104) 4.414 3.524 ( 10.716 1.210 -6.991) 12.852 3.772 ( 20.607 3.294 -12.357) 24.253 4.651 ( -7.944 -3.493 -8.810) 12.366 5.437 ( 4.923 -0.585 -8.793) 10.094 5.537 ( -19.602 13.676 22.586) 32.884 6.093 ( 7.725 1.444 -6.745) 10.357 6.554 ( -5.399 -2.725 -0.623) 6.079 7.153 ( 0.798 0.636 10.812) 10.860 7.490 ( 14.338 10.208 11.876) 21.233 7.811 ( 38.345 14.457 -26.366) 48.729 8.604 ( -2.408 0.130 -1.298) 2.739 8.876 ( 6.162 -23.918 -22.771) 33.594 11.548 ( -18.913 18.277 7.747) 27.419 11.724 ( -18.643 10.108 8.765) 22.946 12.309 ( -3.284 -4.912 7.606) 9.632 13.372 ( -3.482 -3.763 -6.184) 8.033 13.522 ( 4.639 0.971 2.187) 5.220 13.960 ( 7.936 -2.125 -2.510) 8.590 15.137 ( 6.645 3.731 -3.000) 8.190 15.291 ( 0.482 -1.146 -1.164) 1.703 15.461 ( -3.996 -1.452 -0.191) 4.256 15.538 ( -1.330 -15.971 -7.559) 17.719 18.989 ( -22.920 10.979 24.795) 35.505 19.176 ( -1.867 -3.215 1.889) 4.170 26.196 ( 9.419 -0.905 2.614) 9.817 27.188 ( 16.831 16.560 -6.956) 24.615 27.368 ( -0.461 -4.089 -0.036) 4.115 28.039 ( 72.050 11.567 -53.424) 90.439 30.256 ( 5.144 -3.009 1.374) 6.116 31.152 ( -0.497 -44.512 -28.322) 52.760 33.866 ( -3.029 1.452 6.330) 7.166 34.290 ( -34.238 10.035 28.783) 45.841 ======================= Grid point 127 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 21.972 -10.371 8.598) 25.773 1.595 ( 22.972 -16.875 13.117) 31.377 2.564 ( 20.774 2.574 4.981) 21.517 2.839 ( 33.631 -8.665 16.776) 38.569 3.509 ( -0.949 5.186 -7.888) 9.488 4.265 ( 31.530 -1.332 -7.053) 32.336 4.577 ( -5.701 -6.500 -10.468) 13.577 5.144 ( -11.341 8.070 17.349) 22.243 5.628 ( 8.503 -4.151 -8.458) 12.691 6.046 ( -13.162 0.168 -2.497) 13.397 6.627 ( 14.876 3.607 7.127) 16.885 7.137 ( 0.184 3.915 8.950) 9.770 7.661 ( 18.425 8.846 3.420) 20.722 8.129 ( 16.741 3.267 -13.728) 21.895 8.538 ( -4.143 1.578 -1.373) 4.642 9.067 ( -2.349 -3.928 -18.934) 19.479 10.958 ( -19.307 19.748 6.944) 28.477 11.408 ( -15.910 1.560 1.009) 16.018 12.339 ( -2.612 -8.645 5.891) 10.783 13.311 ( -5.683 0.967 -5.503) 7.970 13.570 ( 5.783 3.895 5.489) 8.874 14.134 ( 9.263 -1.062 -2.077) 9.552 15.202 ( 5.850 3.256 -1.880) 6.954 15.310 ( -0.001 -0.862 -1.097) 1.395 15.412 ( -3.559 -2.274 0.541) 4.258 15.701 ( 0.661 -13.548 -10.279) 17.018 18.675 ( -7.246 5.341 17.444) 19.629 19.182 ( -2.821 -4.792 0.736) 5.609 26.399 ( 12.113 -0.182 3.279) 12.551 27.211 ( 0.722 2.541 -3.179) 4.134 27.454 ( 5.656 -4.057 0.873) 7.015 28.580 ( 32.500 34.974 -26.612) 54.659 30.419 ( 8.767 -2.870 0.254) 9.228 31.635 ( -0.123 -37.395 -41.105) 55.570 33.706 ( -15.125 4.516 23.660) 28.442 33.821 ( -10.450 0.291 14.359) 17.762 ======================= Grid point 128 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 17.834 -12.271 4.068) 22.027 2.131 ( 20.437 -9.146 11.379) 25.115 2.623 ( 1.469 5.462 -1.177) 5.777 3.426 ( 1.339 3.721 -6.962) 8.007 3.687 ( 41.053 -6.944 10.392) 42.913 4.612 ( 1.734 -9.137 -9.905) 13.586 4.712 ( 0.324 -4.392 2.008) 4.840 5.023 ( 19.218 4.965 7.340) 21.162 5.720 ( -13.934 3.015 2.175) 14.422 5.822 ( -0.308 -6.532 -6.644) 9.323 6.872 ( 18.319 5.716 9.045) 21.215 7.083 ( -0.523 4.075 6.392) 7.599 7.891 ( 15.931 4.657 -4.157) 17.111 8.322 ( 2.015 0.352 -6.404) 6.723 8.469 ( 3.121 -0.089 -1.698) 3.554 8.949 ( -7.465 6.638 -11.990) 15.606 10.458 ( -15.659 15.728 5.051) 22.762 11.143 ( -13.295 0.630 -1.825) 13.434 12.413 ( -2.352 -11.937 4.471) 12.962 13.173 ( -5.523 5.729 -3.558) 8.717 13.636 ( 6.151 2.900 4.981) 8.429 14.278 ( 7.080 0.596 -2.227) 7.446 15.265 ( 4.613 1.582 -0.428) 4.896 15.301 ( -1.565 -0.359 0.826) 1.805 15.405 ( -0.579 -2.388 0.202) 2.465 15.861 ( 2.305 -9.908 -10.182) 14.393 18.546 ( -2.926 3.599 12.017) 12.881 19.187 ( -2.723 -4.542 -0.504) 5.319 26.573 ( 8.686 1.533 3.052) 9.334 27.175 ( -4.855 -2.860 -2.557) 6.187 27.644 ( 10.946 -3.276 1.785) 11.564 28.604 ( 14.719 26.569 -10.539) 32.150 30.591 ( 7.128 -3.018 0.249) 7.745 31.976 ( 0.123 -23.582 -36.381) 43.356 33.457 ( -8.891 1.511 23.459) 25.132 33.683 ( -7.057 1.021 6.795) 9.850 ======================= Grid point 129 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 10.735 -10.487 2.106) 15.154 2.335 ( 1.118 7.499 12.085) 14.267 2.697 ( 13.032 -0.544 4.404) 13.767 3.410 ( -0.100 -0.577 -4.480) 4.518 4.364 ( 26.603 -4.108 -2.012) 26.993 4.538 ( -9.938 -1.690 0.880) 10.119 4.830 ( 7.270 -9.280 -4.678) 12.683 5.405 ( -13.270 4.056 1.557) 13.964 5.483 ( 27.099 1.259 1.651) 27.178 5.904 ( -2.584 -8.126 -0.533) 8.543 7.042 ( -0.816 0.771 3.978) 4.134 7.111 ( 17.942 6.607 6.195) 20.098 8.002 ( -2.676 2.242 -8.656) 9.334 8.220 ( -4.361 0.421 -0.506) 4.410 8.611 ( 4.343 1.723 -3.576) 5.884 8.766 ( 1.197 6.980 -6.706) 9.753 10.085 ( -10.418 10.298 6.855) 16.173 10.952 ( -8.475 0.130 -3.066) 9.014 12.527 ( -1.574 -13.882 2.714) 14.232 13.005 ( -3.957 9.279 -2.089) 10.302 13.703 ( 4.455 1.770 4.577) 6.628 14.362 ( 4.160 1.190 -2.388) 4.942 15.279 ( -1.410 -0.662 2.508) 2.952 15.319 ( 3.179 0.770 0.503) 3.310 15.428 ( 0.360 -1.461 0.128) 1.510 15.994 ( 2.345 -6.163 -9.668) 11.703 18.479 ( -1.320 2.162 9.331) 9.669 19.191 ( -1.880 -3.094 -1.463) 3.905 26.665 ( 4.947 2.232 2.325) 5.905 27.120 ( -5.840 -3.911 -2.266) 7.385 27.862 ( 9.964 -2.040 2.328) 10.434 28.541 ( 6.940 15.962 -4.015) 17.862 30.721 ( 4.230 -2.643 0.294) 4.996 32.186 ( 0.321 -13.317 -30.762) 33.522 33.355 ( -2.044 0.710 17.386) 17.520 33.551 ( -6.853 1.046 6.753) 9.678 ======================= Grid point 130 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -2.781 2.291 14.067) 14.521 2.357 ( 5.014 -1.730 2.109) 5.708 2.883 ( 6.230 0.540 8.386) 10.461 3.432 ( 0.747 -1.326 -0.475) 1.594 4.346 ( -6.083 -0.228 -4.561) 7.607 4.792 ( 11.266 -3.166 -7.849) 14.091 5.021 ( 4.558 -4.260 -4.176) 7.508 5.188 ( -6.699 2.459 -1.162) 7.230 5.803 ( 13.645 8.886 3.860) 16.734 5.947 ( -4.013 -11.715 1.219) 12.443 7.025 ( -0.910 -0.278 2.950) 3.100 7.330 ( 13.188 3.998 1.956) 13.918 7.807 ( -11.632 0.376 -3.346) 12.110 8.194 ( -0.835 0.046 -6.824) 6.875 8.548 ( -1.356 2.983 -0.066) 3.278 8.842 ( 5.082 0.981 -3.678) 6.349 9.884 ( -3.627 3.577 8.237) 9.685 10.854 ( -2.877 -0.011 -3.428) 4.475 12.670 ( -0.127 -13.800 0.947) 13.833 12.834 ( -1.890 12.040 -0.698) 12.207 13.742 ( 1.616 0.600 4.441) 4.764 14.398 ( 1.352 0.569 -2.351) 2.771 15.269 ( -0.479 -0.294 3.243) 3.292 15.352 ( 1.151 0.197 0.948) 1.504 15.445 ( 0.181 -0.481 0.243) 0.568 16.070 ( 0.971 -2.108 -9.276) 9.562 18.448 ( -0.392 0.717 8.184) 8.225 19.193 ( -0.662 -1.083 -1.976) 2.349 26.702 ( 1.791 1.113 1.808) 2.778 27.077 ( -2.700 -1.806 -2.108) 3.873 28.001 ( 3.904 -0.658 2.388) 4.623 28.496 ( 2.080 5.324 -1.483) 5.905 30.791 ( 1.380 -1.067 0.325) 1.774 32.291 ( 0.164 -4.397 -27.620) 27.968 33.358 ( 2.701 0.136 12.469) 12.759 33.434 ( -5.568 0.570 8.513) 10.188 ======================= Grid point 137 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 22.703 -0.000 16.514) 28.074 1.371 ( 31.993 -0.000 10.985) 33.826 2.631 ( 53.776 -0.000 25.622) 59.568 2.686 ( 4.433 -0.000 1.797) 4.783 3.576 ( -1.504 0.000 -8.840) 8.967 4.260 ( 29.294 -0.000 -12.981) 32.042 4.498 ( -6.448 0.000 -11.131) 12.864 5.274 ( -14.744 0.000 22.041) 26.517 5.572 ( 8.854 -0.000 -8.876) 12.537 6.041 ( -13.331 0.000 -1.222) 13.387 6.671 ( 16.501 -0.000 5.883) 17.519 7.172 ( 1.502 -0.000 8.942) 9.067 7.801 ( 18.509 -0.000 6.006) 19.459 8.354 ( 4.622 -0.000 -24.655) 25.085 8.555 ( -1.461 0.000 -7.070) 7.220 8.827 ( 5.401 -0.000 -17.038) 17.873 11.311 ( -24.911 0.000 10.376) 26.985 11.332 ( -20.955 0.000 0.999) 20.979 12.254 ( -1.013 0.000 6.147) 6.229 13.304 ( -2.295 0.000 -4.412) 4.973 13.621 ( 4.798 -0.000 6.900) 8.404 14.122 ( 11.020 -0.000 -1.525) 11.125 15.293 ( 5.224 -0.000 -4.471) 6.876 15.300 ( 1.111 -0.000 -1.259) 1.679 15.376 ( -2.337 0.000 0.294) 2.356 15.457 ( 2.793 -0.000 -6.199) 6.799 18.750 ( -9.730 0.000 17.557) 20.073 19.112 ( -3.166 0.000 1.434) 3.476 26.399 ( 13.585 -0.000 3.622) 14.060 27.209 ( -6.972 0.000 -1.542) 7.141 27.433 ( 7.618 -0.000 0.082) 7.619 29.275 ( 29.177 -0.000 -64.334) 70.641 30.521 ( 27.733 -0.000 -20.878) 34.713 30.808 ( -2.368 0.000 -4.429) 5.022 33.780 ( -25.326 0.000 40.495) 47.762 33.803 ( -5.284 0.000 5.866) 7.895 ======================= Grid point 138 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 24.828 -1.304 7.005) 25.830 1.960 ( 31.537 -4.633 6.649) 32.561 2.724 ( 1.751 2.842 4.699) 5.764 3.501 ( 14.300 0.560 -1.356) 14.375 3.543 ( 28.564 -2.802 8.575) 29.955 4.460 ( 0.164 -3.751 -9.900) 10.588 4.640 ( 6.481 -1.607 -1.903) 6.943 5.156 ( 11.316 4.712 9.949) 15.787 5.718 ( 5.139 -2.683 -5.548) 8.024 5.752 ( -18.018 0.125 2.139) 18.145 6.968 ( 18.467 2.343 7.158) 19.944 7.182 ( 0.827 2.982 7.043) 7.693 8.074 ( 15.451 9.039 -3.336) 18.210 8.325 ( -0.487 0.536 -9.765) 9.792 8.508 ( 1.019 4.003 -3.886) 5.672 8.885 ( -8.153 -10.087 -13.446) 18.682 10.804 ( -20.242 14.269 2.716) 24.914 11.062 ( -19.099 -7.768 0.467) 20.623 12.256 ( -0.384 -2.560 6.154) 6.676 13.257 ( -2.592 1.695 -3.932) 5.006 13.689 ( 4.406 1.452 6.014) 7.595 14.294 ( 8.826 0.515 -1.532) 8.973 15.299 ( -0.895 1.084 0.020) 1.406 15.322 ( 2.586 2.242 -0.279) 3.433 15.364 ( 0.483 -1.006 -0.082) 1.119 15.620 ( 6.235 -9.123 -9.304) 14.445 18.633 ( -3.063 3.084 11.076) 11.898 19.077 ( -3.334 -3.804 0.496) 5.083 26.608 ( 10.605 1.150 3.390) 11.193 27.089 ( -8.605 -2.931 -0.946) 9.140 27.607 ( 12.200 -0.594 0.985) 12.254 29.288 ( 3.788 25.414 -24.785) 35.700 30.645 ( 8.648 10.554 -3.534) 14.095 31.307 ( 14.072 -32.561 -34.141) 49.232 33.471 ( -11.545 0.107 32.017) 34.035 33.697 ( -6.921 0.280 5.586) 8.898 ======================= Grid point 139 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 20.631 -0.120 0.349) 20.634 2.470 ( 21.365 2.165 10.894) 24.080 2.705 ( 4.012 2.532 5.495) 7.260 3.427 ( -3.537 1.734 -7.486) 8.459 4.246 ( 28.510 -5.066 3.678) 29.189 4.514 ( -6.823 -0.946 0.861) 6.942 4.638 ( 6.614 -7.024 0.696) 9.673 5.435 ( -16.809 0.099 2.360) 16.974 5.503 ( 24.435 1.875 -0.970) 24.526 5.833 ( 4.930 -2.011 -1.177) 5.453 7.122 ( -0.916 5.926 5.269) 7.982 7.240 ( 17.313 4.176 4.357) 18.335 8.080 ( -5.162 4.950 -7.677) 10.492 8.245 ( -4.836 2.102 -1.192) 5.406 8.618 ( 8.495 -0.170 -4.237) 9.495 8.808 ( -7.862 -4.641 -8.246) 12.302 10.333 ( -17.056 11.681 2.872) 20.872 10.866 ( -13.625 -7.234 -2.424) 15.615 12.305 ( 0.843 -5.561 5.819) 8.092 13.180 ( -1.278 5.671 -3.139) 6.606 13.738 ( 2.873 1.250 5.117) 6.000 14.400 ( 5.088 1.687 -2.059) 5.742 15.273 ( -0.736 0.384 1.619) 1.820 15.343 ( 1.976 1.052 0.452) 2.284 15.397 ( 1.498 -1.082 -0.000) 1.848 15.822 ( 5.733 -7.954 -8.809) 13.180 18.559 ( -0.800 4.443 8.134) 9.303 19.083 ( -2.475 -5.705 -0.585) 6.246 26.721 ( 5.115 2.641 2.127) 6.137 26.997 ( -7.428 -5.693 -0.671) 9.382 27.831 ( 11.884 -0.835 2.200) 12.115 29.029 ( -0.146 23.426 -10.671) 25.742 30.700 ( 5.025 1.228 -0.974) 5.264 31.805 ( 10.572 -19.295 -31.313) 38.270 33.352 ( -3.637 -0.671 22.587) 22.888 33.568 ( -7.414 0.513 5.449) 9.216 ======================= Grid point 140 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 4.612 3.065 2.001) 5.888 2.557 ( 11.815 13.959 11.488) 21.597 2.888 ( 7.528 -0.354 8.774) 11.567 3.393 ( 0.523 -1.717 -4.093) 4.470 4.352 ( -4.134 0.505 -1.397) 4.393 4.667 ( 11.383 -6.054 -8.324) 15.346 4.912 ( 10.182 -5.689 0.788) 11.690 5.202 ( -10.226 -0.819 1.530) 10.373 5.738 ( -0.806 -4.469 1.943) 4.940 6.022 ( 20.708 6.359 -0.483) 21.667 7.043 ( -1.353 3.349 4.132) 5.488 7.451 ( 11.437 5.765 0.331) 12.812 7.819 ( -15.810 0.725 -2.725) 16.059 8.190 ( -1.676 0.630 -4.195) 4.561 8.607 ( -5.444 0.784 -3.374) 6.453 8.823 ( 0.321 -2.776 -3.888) 4.788 9.985 ( -11.728 5.569 5.302) 14.024 10.766 ( -7.689 -7.242 -3.648) 11.175 12.413 ( 2.770 -8.178 4.530) 9.751 13.091 ( 1.169 9.857 -2.346) 10.199 13.753 ( -0.005 0.439 4.716) 4.737 14.434 ( 1.621 2.167 -2.450) 3.650 15.269 ( 0.565 0.292 2.471) 2.552 15.358 ( 0.446 0.359 0.843) 1.019 15.431 ( 1.211 -0.667 0.394) 1.437 15.983 ( 4.080 -5.174 -8.391) 10.669 18.505 ( 0.270 4.171 7.088) 8.228 19.116 ( -1.204 -5.405 -1.446) 5.723 26.727 ( -1.252 1.204 1.430) 2.250 26.982 ( -1.738 -5.461 -1.109) 5.837 27.995 ( 6.081 0.078 2.691) 6.650 28.776 ( -2.358 17.162 -4.662) 17.940 30.771 ( 3.445 -0.513 -0.050) 3.483 32.127 ( 8.524 -9.655 -27.026) 29.938 33.344 ( 1.145 -1.214 15.827) 15.915 33.441 ( -6.774 0.185 6.064) 9.094 ======================= Grid point 141 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.459 3.560 10.681) 11.268 2.608 ( 11.038 16.501 3.688) 20.192 2.876 ( -6.890 0.246 9.448) 11.695 3.441 ( 1.507 -0.525 1.167) 1.977 4.369 ( 7.474 1.717 -6.452) 10.022 4.786 ( -7.341 -3.002 -7.672) 11.035 5.067 ( 5.015 -2.170 -2.704) 6.097 5.106 ( -3.280 -2.917 0.215) 4.395 5.675 ( -9.109 -1.893 2.209) 9.563 6.240 ( 13.748 12.145 -1.355) 18.394 7.019 ( 0.858 -0.218 3.261) 3.379 7.299 ( -19.080 1.320 2.701) 19.315 7.801 ( 9.947 -0.185 -3.683) 10.609 8.163 ( -1.665 -2.164 -6.989) 7.503 8.520 ( -3.719 0.301 0.352) 3.748 8.782 ( -9.721 -4.395 -2.596) 10.979 9.820 ( -5.047 -1.951 7.653) 9.372 10.766 ( -2.034 -7.298 -3.694) 8.429 12.580 ( 4.983 -9.432 2.614) 10.983 12.997 ( 3.444 13.878 -1.529) 14.380 13.726 ( -3.290 -0.700 4.487) 5.608 14.414 ( -1.095 1.782 -2.763) 3.466 15.282 ( 1.601 0.786 2.749) 3.277 15.346 ( -1.827 -0.212 1.005) 2.096 15.452 ( 0.929 0.129 0.540) 1.082 16.072 ( 1.676 -1.796 -8.346) 8.700 18.475 ( 0.989 3.056 7.194) 7.879 19.160 ( 0.094 -3.919 -1.878) 4.346 26.678 ( -3.842 -0.929 1.602) 4.265 27.043 ( 1.866 -4.181 -2.244) 5.099 28.026 ( -1.266 1.555 2.762) 3.414 28.562 ( -4.948 9.781 -1.964) 11.136 30.816 ( 1.906 1.159 0.712) 2.342 32.323 ( 7.234 -1.399 -25.564) 26.605 33.342 ( -4.729 -1.054 9.770) 10.906 33.410 ( 4.194 -1.537 9.645) 10.629 ======================= Grid point 142 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 3.139 -1.387 8.581) 9.242 2.513 ( 2.755 20.714 1.923) 20.985 2.702 ( -11.605 1.241 9.098) 14.798 3.441 ( -0.331 1.689 -0.031) 1.721 4.405 ( -22.757 0.015 -6.735) 23.732 4.598 ( 7.267 3.268 -1.035) 8.035 5.030 ( -2.117 6.827 -6.268) 9.507 5.221 ( -1.530 -8.910 5.330) 10.495 5.506 ( -6.200 2.821 -1.560) 6.988 6.198 ( 1.333 15.199 -4.429) 15.887 6.978 ( -17.814 -3.855 9.346) 20.482 7.052 ( 0.570 0.442 2.908) 2.996 7.959 ( 3.433 -1.724 -9.764) 10.493 8.201 ( 2.237 -2.641 -4.576) 5.738 8.477 ( -4.319 -7.829 0.032) 8.942 8.636 ( -11.327 -4.162 -2.354) 12.295 9.860 ( 2.019 -9.605 8.814) 13.192 10.859 ( 3.017 -7.585 -3.294) 8.803 12.788 ( 6.845 -8.934 0.569) 11.269 12.892 ( 4.734 16.840 -0.550) 17.501 13.660 ( -6.131 -1.924 4.418) 7.798 14.361 ( -3.123 1.132 -3.127) 4.562 15.298 ( -1.881 0.264 1.519) 2.432 15.304 ( -0.186 0.112 1.577) 1.592 15.461 ( 1.139 1.320 0.584) 1.838 16.081 ( -0.576 1.586 -8.691) 8.853 18.471 ( 1.601 1.538 8.351) 8.641 19.205 ( 1.251 -1.967 -1.803) 2.947 26.622 ( -4.351 -1.425 2.050) 5.016 27.120 ( 1.122 -4.009 -3.387) 5.367 27.930 ( -5.759 3.793 2.780) 7.435 28.384 ( -8.597 1.579 -1.308) 8.839 30.802 ( -0.109 4.266 1.330) 4.470 32.405 ( 5.631 6.319 -26.894) 28.194 33.315 ( -0.486 -2.665 12.435) 12.727 33.518 ( 5.868 -1.956 7.399) 9.644 ======================= Grid point 143 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -7.985 17.210 1.748) 19.052 2.355 ( 1.963 14.021 10.896) 17.865 2.505 ( -7.029 -3.404 -1.095) 7.886 3.391 ( -4.587 1.086 -3.621) 5.944 3.797 ( -39.367 2.563 3.445) 39.600 4.795 ( 13.598 3.472 1.524) 14.117 4.865 ( -4.626 12.284 -8.481) 15.628 4.977 ( -24.357 -0.180 6.481) 25.205 5.637 ( 14.556 -3.126 2.160) 15.044 6.016 ( -4.451 9.565 -11.090) 15.306 6.744 ( -15.763 -4.216 13.564) 21.219 7.044 ( -0.412 0.473 3.150) 3.212 7.835 ( -17.058 -1.313 -4.318) 17.645 8.290 ( 2.724 -2.340 -4.490) 5.750 8.495 ( -5.684 1.417 -2.061) 6.210 8.636 ( 2.351 -18.583 -7.730) 20.264 10.098 ( 8.319 -16.290 8.056) 19.987 11.037 ( 7.268 -8.286 -2.744) 11.358 12.773 ( 5.157 18.643 0.815) 19.361 13.013 ( 8.044 -7.837 -1.661) 11.352 13.567 ( -7.893 -3.118 4.548) 9.628 14.282 ( -4.759 1.118 -3.396) 5.952 15.228 ( -5.956 -1.730 0.337) 6.211 15.324 ( 2.165 1.450 0.856) 2.743 15.465 ( 2.033 2.631 0.729) 3.404 16.025 ( -1.686 4.503 -9.349) 10.513 18.497 ( 2.339 -0.416 10.810) 11.068 19.245 ( 2.081 0.124 -1.228) 2.420 26.549 ( -6.079 -0.521 2.466) 6.581 27.146 ( -5.010 -5.484 -3.901) 8.390 27.775 ( -3.923 7.653 2.263) 8.893 28.230 ( -13.009 -6.774 -2.460) 14.872 30.715 ( -2.287 7.353 1.797) 7.907 32.375 ( 3.787 12.782 -29.682) 32.539 33.395 ( 5.545 -3.966 14.766) 16.264 33.647 ( 6.408 -2.192 6.692) 9.521 ======================= Grid point 144 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -12.748 25.779 -0.666) 28.766 2.039 ( -12.348 21.306 13.181) 27.931 2.512 ( -6.188 -2.327 -4.383) 7.932 2.991 ( -35.779 3.936 11.455) 37.774 3.403 ( -3.846 -2.403 -1.910) 4.921 4.369 ( -30.579 8.282 2.915) 31.815 4.767 ( 4.191 9.894 -9.844) 14.573 5.029 ( 11.092 -1.324 8.516) 14.047 5.733 ( -7.002 4.298 -7.149) 10.891 6.008 ( 8.111 -3.475 -5.000) 10.142 6.535 ( -11.197 -3.440 10.058) 15.439 7.040 ( -1.821 -2.748 3.714) 4.966 7.558 ( -14.706 -1.430 5.936) 15.924 8.175 ( -13.896 4.437 -10.093) 17.739 8.491 ( 3.003 -2.298 -0.456) 3.809 8.894 ( 2.434 -16.500 -10.584) 19.753 10.491 ( 11.990 -21.459 6.987) 25.556 11.284 ( 9.768 -9.088 -1.755) 13.457 12.649 ( 4.675 17.891 2.114) 18.612 13.233 ( 8.482 -5.525 -4.492) 11.075 13.472 ( -7.619 -4.372 4.641) 9.935 14.172 ( -5.866 2.318 -3.485) 7.206 15.142 ( -6.738 -2.510 -0.159) 7.192 15.340 ( 1.623 1.727 -0.845) 2.516 15.477 ( 3.400 3.180 0.845) 4.732 15.934 ( -1.019 6.801 -10.362) 12.436 18.567 ( 3.732 -3.361 15.166) 15.976 19.270 ( 2.304 2.154 -0.240) 3.164 26.414 ( -9.293 1.153 2.580) 9.713 27.065 ( -13.619 -8.369 -3.822) 16.436 27.639 ( -0.063 10.617 1.016) 10.665 28.084 ( -16.258 -10.746 -5.531) 20.259 30.566 ( -3.652 9.371 2.169) 10.289 32.251 ( 2.582 18.811 -34.227) 39.141 33.589 ( 10.245 -5.786 14.582) 18.737 33.786 ( 7.273 -2.573 9.260) 12.053 ======================= Grid point 145 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -11.870 27.658 2.123) 30.173 1.481 ( -23.893 19.540 14.035) 33.907 2.114 ( -21.714 19.329 29.811) 41.639 2.634 ( -6.121 1.232 -0.243) 6.249 3.445 ( 0.216 -6.946 -6.828) 9.742 3.774 ( -26.660 7.206 1.901) 27.682 4.784 ( 7.764 7.695 -8.484) 13.837 5.232 ( 7.954 -6.641 13.017) 16.638 5.540 ( -7.384 4.761 -11.206) 14.240 6.013 ( -11.066 -5.214 -2.387) 12.464 6.580 ( 10.317 -1.876 -1.653) 10.615 7.027 ( -6.403 -6.935 3.688) 10.134 7.396 ( -3.649 3.140 13.066) 13.925 7.800 ( -21.382 6.808 -7.076) 23.529 8.565 ( 1.794 -2.822 -0.184) 3.349 9.051 ( -0.665 -7.594 -15.868) 17.604 10.964 ( 10.881 -26.466 9.849) 30.263 11.550 ( 8.178 -9.256 0.125) 12.352 12.533 ( 3.351 14.673 3.424) 15.435 13.360 ( -1.935 -3.525 -0.468) 4.048 13.472 ( 3.946 -4.108 -5.165) 7.690 14.037 ( -5.103 4.281 -3.598) 7.571 15.066 ( -5.365 -2.964 0.392) 6.142 15.334 ( 0.546 2.464 -1.415) 2.893 15.506 ( 3.317 2.522 0.220) 4.173 15.847 ( 1.295 8.846 -12.436) 15.316 18.720 ( 6.443 -9.708 22.143) 25.021 19.271 ( 1.643 3.800 0.938) 4.245 26.231 ( -8.819 1.988 2.265) 9.320 26.861 ( -22.408 -8.667 -4.563) 24.455 27.524 ( -0.496 8.792 0.257) 8.810 27.899 ( -14.167 -2.203 -9.172) 17.020 30.398 ( -2.907 9.403 2.486) 10.152 32.030 ( 1.605 27.331 -41.114) 49.395 33.797 ( 4.385 -4.827 6.614) 9.289 34.027 ( 14.449 -10.374 18.863) 25.927 ======================= Grid point 146 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 18.285 19.521) 26.747 0.987 ( 0.000 15.154 24.317) 28.653 1.618 ( 0.000 28.616 43.490) 52.060 2.577 ( 0.000 0.484 -2.867) 2.907 3.350 ( 0.000 10.251 4.616) 11.243 3.584 ( -0.000 -8.865 -9.186) 12.766 4.787 ( 0.000 6.014 -5.996) 8.492 5.415 ( 0.000 4.161 -12.444) 13.121 5.477 ( -0.000 -22.562 22.196) 31.650 5.949 ( -0.000 -4.609 -6.809) 8.222 6.758 ( -0.000 -1.991 -9.035) 9.252 6.971 ( -0.000 -2.196 -3.297) 3.961 7.292 ( 0.000 12.399 6.810) 14.146 7.474 ( 0.000 2.459 16.396) 16.579 8.610 ( -0.000 -2.085 0.704) 2.201 9.033 ( 0.000 9.411 -23.717) 25.516 11.415 ( -0.000 -32.878 14.320) 35.861 11.731 ( -0.000 -9.248 3.263) 9.807 12.430 ( 0.000 9.217 5.645) 10.808 13.373 ( -0.000 -4.059 1.835) 4.454 13.544 ( 0.000 1.805 -15.156) 15.263 13.931 ( 0.000 4.818 -3.536) 5.977 15.044 ( -0.000 -2.358 1.668) 2.889 15.309 ( 0.000 2.382 -1.197) 2.666 15.512 ( 0.000 1.903 -0.499) 1.967 15.752 ( 0.000 13.178 -15.015) 19.978 19.000 ( -0.000 -23.738 26.574) 35.632 19.239 ( 0.000 4.361 1.952) 4.778 26.121 ( 0.000 1.452 2.170) 2.611 26.593 ( 0.000 1.591 -2.708) 3.141 27.433 ( 0.000 6.235 -0.038) 6.235 27.695 ( 0.000 12.371 -11.157) 16.659 30.277 ( 0.000 6.913 2.518) 7.357 31.665 ( 0.000 40.433 -44.836) 60.375 33.869 ( -0.000 -2.652 5.962) 6.525 34.402 ( -0.000 -23.198 15.976) 28.167 ======================= Grid point 149 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 23.577 -0.000 -1.285) 23.612 2.469 ( 28.990 -0.000 5.695) 29.544 2.758 ( 1.608 -0.000 11.124) 11.239 3.454 ( -5.379 0.000 -8.269) 9.865 4.182 ( 30.283 -0.000 8.486) 31.449 4.490 ( 5.726 -0.000 -7.347) 9.315 4.560 ( -5.960 0.000 8.711) 10.554 5.432 ( -17.491 0.000 3.430) 17.824 5.566 ( 27.181 -0.000 -2.002) 27.254 5.772 ( 1.742 -0.000 -2.074) 2.709 7.214 ( 0.133 -0.000 4.938) 4.940 7.287 ( 17.342 -0.000 3.646) 17.721 8.158 ( -14.440 0.000 -5.247) 15.363 8.312 ( 2.901 -0.000 -5.555) 6.267 8.642 ( -10.674 0.000 -6.423) 12.458 8.649 ( 9.414 -0.000 -4.604) 10.479 10.549 ( -23.197 0.000 -0.125) 23.197 10.700 ( -12.361 0.000 -0.605) 12.376 12.250 ( 1.258 -0.000 6.648) 6.766 13.246 ( -0.078 0.000 -3.401) 3.402 13.753 ( 2.148 -0.000 5.486) 5.892 14.421 ( 5.410 -0.000 -2.022) 5.776 15.289 ( -0.563 0.000 0.962) 1.115 15.343 ( 0.154 -0.000 0.466) 0.491 15.396 ( 2.323 -0.000 -0.014) 2.323 15.711 ( 8.974 -0.000 -7.841) 11.917 18.628 ( -0.148 0.000 6.914) 6.915 18.998 ( -3.047 0.000 0.129) 3.050 26.763 ( 6.600 -0.000 1.912) 6.871 26.916 ( -9.089 0.000 -0.100) 9.090 27.822 ( 12.508 -0.000 2.261) 12.711 29.353 ( -8.110 0.000 -14.969) 17.025 30.749 ( -0.110 0.000 -2.313) 2.316 31.504 ( 23.905 -0.000 -29.356) 37.858 33.341 ( -4.104 0.000 24.552) 24.892 33.574 ( -7.578 0.000 4.942) 9.047 ======================= Grid point 150 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 9.238 2.683 -4.272) 10.525 2.829 ( 15.484 7.500 13.732) 22.013 2.868 ( 11.158 -0.877 8.940) 14.325 3.369 ( -2.293 -0.431 -6.083) 6.516 4.351 ( -1.319 -0.547 -0.214) 1.443 4.600 ( 9.360 0.769 -5.393) 10.830 4.757 ( 13.089 -6.807 5.480) 15.738 5.182 ( -11.428 -0.481 4.228) 12.194 5.745 ( 0.361 3.449 -0.124) 3.470 6.033 ( 21.670 -3.608 -3.181) 22.198 7.172 ( -1.153 5.352 3.568) 6.535 7.552 ( 14.452 2.548 -0.632) 14.688 7.837 ( -21.234 0.644 -1.520) 21.298 8.259 ( -2.561 5.485 -4.959) 7.826 8.527 ( -8.537 -7.367 -3.202) 11.723 8.760 ( 0.306 -1.404 -3.617) 3.892 10.129 ( -19.165 5.878 1.755) 20.123 10.579 ( -8.223 -7.143 -3.329) 11.389 12.303 ( 3.688 -2.056 6.997) 8.172 13.250 ( 2.940 3.753 -2.983) 5.624 13.762 ( -1.028 0.232 5.049) 5.158 14.475 ( 1.663 1.090 -2.747) 3.391 15.284 ( 0.832 0.956 1.336) 1.842 15.354 ( 0.220 -0.846 0.327) 0.934 15.426 ( 1.498 0.308 0.943) 1.797 15.875 ( 7.256 -3.206 -6.660) 10.357 18.614 ( 1.169 4.211 5.078) 6.700 18.983 ( -1.898 -4.874 -0.475) 5.252 26.760 ( -5.360 1.610 0.682) 5.638 26.871 ( 1.390 -3.621 -0.195) 3.884 27.999 ( 7.585 0.189 3.114) 8.202 29.127 ( -9.614 10.292 -8.636) 16.520 30.771 ( 3.450 0.343 -0.548) 3.510 31.914 ( 17.765 -6.835 -24.353) 30.909 33.318 ( 0.566 -0.752 17.074) 17.100 33.444 ( -7.466 0.070 4.908) 8.935 ======================= Grid point 151 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.191 5.975 4.937) 7.753 2.844 ( -8.828 1.235 8.575) 12.369 3.032 ( 18.612 14.109 7.070) 24.402 3.420 ( 4.070 -1.008 0.462) 4.219 4.407 ( 7.969 1.091 -7.408) 10.935 4.712 ( -0.655 -1.893 -6.549) 6.849 4.939 ( 0.387 -7.251 2.111) 7.562 5.075 ( -1.305 -0.797 4.150) 4.422 5.690 ( -2.765 2.376 -0.130) 3.648 6.387 ( 15.996 0.015 -5.029) 16.768 7.082 ( -1.134 5.811 2.792) 6.546 7.374 ( -22.391 4.664 3.823) 23.189 7.797 ( 10.167 -0.146 -4.268) 11.027 8.148 ( -5.177 1.871 -4.420) 7.059 8.488 ( -4.793 -5.553 -2.304) 7.689 8.672 ( -13.410 -3.415 -1.706) 13.943 9.807 ( -13.614 0.761 5.165) 14.581 10.570 ( -3.459 -8.575 -4.462) 10.267 12.425 ( 6.505 -4.247 6.258) 9.976 13.257 ( 5.698 8.405 -2.638) 10.491 13.714 ( -4.514 -0.351 4.708) 6.531 14.460 ( -1.171 1.840 -3.400) 4.040 15.296 ( 1.171 0.404 1.364) 1.843 15.351 ( -0.885 0.644 0.780) 1.343 15.449 ( 1.351 -0.364 1.387) 1.971 16.011 ( 4.195 -2.933 -6.393) 8.190 18.579 ( 1.637 5.735 4.850) 7.687 19.032 ( -0.468 -6.727 -1.145) 6.840 26.665 ( -4.600 -0.154 1.050) 4.721 26.936 ( 0.863 -4.246 -1.704) 4.656 28.062 ( 0.865 1.382 3.213) 3.603 28.831 ( -10.268 11.392 -4.655) 16.028 30.844 ( 5.438 1.248 1.028) 5.673 32.248 ( 13.982 -4.332 -21.723) 26.195 33.322 ( -6.019 -0.502 7.482) 9.616 33.372 ( 3.055 -1.640 9.897) 10.487 ======================= Grid point 152 (56/144) ======================= q-point: (-0.55 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 2.160 5.530 7.382) 9.473 2.643 ( -13.455 -1.396 9.725) 16.660 3.096 ( 13.102 23.465 2.375) 26.980 3.471 ( 1.935 0.868 2.732) 3.458 4.386 ( -22.860 -1.701 -8.690) 24.515 4.679 ( 10.428 3.924 -2.387) 11.395 4.996 ( -2.787 -5.887 5.857) 8.759 5.159 ( 7.218 -0.240 -2.884) 7.776 5.599 ( -2.176 4.971 -4.168) 6.842 6.464 ( -5.989 5.936 -10.450) 13.428 6.982 ( -12.875 2.239 11.867) 17.653 7.064 ( 2.243 3.776 3.996) 5.938 7.929 ( 2.616 -0.805 -10.238) 10.598 8.075 ( -4.389 -5.922 -5.720) 9.330 8.397 ( -15.048 -0.718 2.956) 15.353 8.510 ( -5.492 -7.284 -1.828) 9.304 9.662 ( -7.432 -7.397 8.434) 13.456 10.650 ( 0.710 -9.630 -4.391) 10.607 12.614 ( 8.642 -5.910 4.452) 11.377 13.245 ( 7.097 13.224 -2.232) 15.173 13.621 ( -7.357 -1.390 4.533) 8.752 14.402 ( -2.755 2.114 -4.036) 5.325 15.278 ( -4.660 -0.980 1.078) 4.883 15.340 ( 2.296 1.972 1.293) 3.291 15.480 ( 2.204 0.285 1.238) 2.544 16.078 ( 0.878 -1.360 -6.590) 6.786 18.547 ( 1.907 5.075 5.694) 7.862 19.109 ( 0.646 -6.221 -1.528) 6.438 26.604 ( -2.991 -0.147 1.403) 3.307 26.988 ( -2.258 -6.347 -2.752) 7.277 28.012 ( -2.872 3.138 2.869) 5.131 28.529 ( -11.683 8.871 -2.362) 14.858 30.907 ( 5.397 4.778 2.221) 7.542 32.483 ( 11.100 0.909 -21.891) 24.561 33.251 ( -3.549 -2.573 8.853) 9.878 33.467 ( 5.019 -2.337 7.166) 9.056 ======================= Grid point 153 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 6.069 1.731 2.194) 6.681 2.431 ( -12.333 -0.223 9.091) 15.323 2.951 ( 4.624 28.506 1.828) 28.936 3.456 ( -2.151 3.926 1.358) 4.678 3.830 ( -36.594 1.299 -2.083) 36.677 4.873 ( 11.971 2.631 0.073) 12.257 4.946 ( -9.004 -1.371 6.756) 11.340 5.152 ( -0.958 11.595 -7.613) 13.904 5.613 ( 9.652 0.824 -2.872) 10.104 6.160 ( -19.280 1.810 -9.819) 21.712 6.766 ( -7.657 6.928 13.673) 17.135 7.081 ( 0.579 2.334 1.271) 2.721 7.806 ( -17.991 -1.775 -6.053) 19.064 8.152 ( -0.919 -14.883 -8.849) 17.339 8.283 ( -0.178 -5.200 1.969) 5.563 8.501 ( -2.826 -1.578 -2.842) 4.308 9.726 ( -0.884 -16.186 10.049) 19.072 10.808 ( 4.008 -10.903 -3.904) 12.255 12.843 ( 9.513 -6.751 2.026) 11.840 13.194 ( 7.140 17.360 -1.611) 18.840 13.502 ( -8.975 -2.481 4.657) 10.411 14.324 ( -3.410 2.328 -4.598) 6.180 15.187 ( -7.229 -1.755 1.382) 7.566 15.363 ( 2.787 2.000 0.256) 3.440 15.514 ( 2.899 1.566 1.108) 3.477 16.075 ( -1.611 0.403 -7.077) 7.269 18.532 ( 2.074 3.490 7.561) 8.582 19.190 ( 1.381 -4.827 -1.460) 5.229 26.552 ( -3.358 0.798 1.675) 3.837 26.984 ( -7.993 -7.697 -2.907) 11.471 27.928 ( -0.728 5.027 1.794) 5.387 28.234 ( -13.448 5.165 -1.172) 14.453 30.907 ( 3.719 9.257 3.032) 10.426 32.592 ( 6.627 6.861 -22.780) 24.697 33.283 ( 2.263 -5.617 9.991) 11.683 33.587 ( 5.465 -2.907 5.462) 8.256 ======================= Grid point 154 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -8.386 11.851 6.166) 15.773 2.392 ( -4.541 0.220 -6.145) 7.644 2.622 ( -6.352 19.684 4.817) 21.237 3.098 ( -23.659 9.988 -0.187) 25.681 3.439 ( -6.357 5.583 5.730) 10.218 4.593 ( -21.934 9.572 7.344) 25.033 4.998 ( 2.669 8.920 -5.924) 11.035 5.084 ( 11.602 6.899 -1.613) 13.594 5.787 ( -0.853 0.816 -0.820) 1.437 5.889 ( -6.353 -7.037 -7.053) 11.816 6.535 ( -10.454 4.055 8.517) 14.081 7.024 ( -5.229 0.443 -0.986) 5.340 7.551 ( -8.868 0.628 5.763) 10.595 8.224 ( -6.786 -2.882 -10.249) 12.626 8.440 ( 0.369 -9.582 -0.435) 9.599 8.478 ( 1.714 -8.833 -6.185) 10.918 9.984 ( 4.236 -23.272 9.419) 25.461 11.028 ( 6.024 -12.545 -3.364) 14.317 13.056 ( 5.728 4.009 -0.607) 7.018 13.122 ( 9.568 9.037 -1.255) 13.221 13.381 ( -8.742 -3.546 4.860) 10.612 14.235 ( -3.486 3.049 -4.947) 6.777 15.082 ( -7.764 -2.682 1.592) 8.367 15.386 ( 2.659 2.301 -0.988) 3.653 15.543 ( 3.143 2.451 0.929) 4.092 16.025 ( -2.431 1.779 -7.842) 8.401 18.541 ( 2.166 1.149 10.701) 10.978 19.261 ( 1.646 -3.014 -0.941) 3.561 26.450 ( -7.152 1.926 1.876) 7.641 26.896 ( -11.039 -6.261 -2.547) 12.944 27.872 ( 0.997 8.828 0.223) 8.887 27.975 ( -11.481 -0.422 -0.757) 11.514 30.823 ( 1.349 12.958 3.506) 13.491 32.568 ( 2.842 10.548 -22.879) 25.353 33.442 ( 6.951 -7.298 8.073) 12.914 33.714 ( 5.137 -3.553 5.582) 8.376 ======================= Grid point 155 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -25.442 14.367 -0.524) 29.222 1.909 ( -13.350 23.927 5.202) 27.889 2.559 ( 4.394 9.746 0.332) 10.696 2.724 ( -5.520 15.892 12.696) 21.076 3.307 ( -4.224 -1.310 -0.990) 4.532 4.070 ( -19.098 16.687 6.704) 26.233 4.979 ( 7.094 9.023 -9.366) 14.814 5.198 ( 7.208 2.612 5.083) 9.199 5.604 ( -11.146 -1.161 -13.014) 17.175 5.906 ( -8.158 -2.449 6.171) 10.518 6.478 ( 4.301 -5.615 1.052) 7.151 6.920 ( -7.515 -3.582 0.982) 8.383 7.503 ( 6.057 5.948 8.617) 12.096 7.989 ( -15.515 7.662 -8.310) 19.196 8.485 ( 0.572 -4.018 -0.447) 4.083 8.716 ( 1.204 -18.430 -7.516) 19.940 10.361 ( 5.217 -27.459 8.424) 29.192 11.280 ( 5.305 -13.889 -2.552) 15.085 12.935 ( 3.031 19.414 -0.026) 19.649 13.269 ( -2.413 -3.968 1.489) 4.877 13.347 ( 4.174 -6.162 -2.341) 7.802 14.138 ( -2.705 4.442 -5.008) 7.220 14.996 ( -5.738 -3.182 2.261) 6.940 15.396 ( 1.643 2.853 -1.753) 3.730 15.564 ( 2.529 2.462 0.572) 3.576 15.966 ( -1.335 2.588 -9.116) 9.570 18.584 ( 2.052 -2.521 15.336) 15.677 19.308 ( 1.228 -0.841 -0.105) 1.492 26.281 ( -8.491 2.342 2.070) 9.048 26.761 ( -9.714 -1.519 -2.733) 10.205 27.707 ( -5.869 6.106 0.531) 8.486 27.903 ( -0.179 2.628 -2.160) 3.407 30.672 ( -0.343 14.508 3.657) 14.965 32.465 ( 1.202 13.537 -25.845) 29.200 33.647 ( 5.580 -8.004 5.471) 11.187 33.850 ( 4.963 -5.870 8.049) 11.130 ======================= Grid point 156 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 13.315 11.226) 17.416 1.473 ( 0.000 34.262 0.219) 34.263 2.325 ( 0.000 32.796 30.553) 44.822 2.593 ( 0.000 0.914 -4.140) 4.240 3.352 ( -0.000 -9.938 -6.172) 11.699 3.678 ( 0.000 18.037 6.036) 19.020 4.957 ( 0.000 8.748 -6.931) 11.161 5.260 ( -0.000 -1.304 8.548) 8.647 5.501 ( 0.000 1.243 -15.675) 15.724 5.831 ( -0.000 -3.898 3.414) 5.182 6.632 ( -0.000 -8.008 -2.812) 8.487 6.894 ( -0.000 -4.320 2.453) 4.968 7.572 ( 0.000 6.166 5.415) 8.206 7.618 ( 0.000 14.480 0.370) 14.485 8.539 ( -0.000 -4.052 -0.089) 4.053 8.913 ( -0.000 -14.883 -10.336) 18.120 10.735 ( -0.000 -28.710 9.282) 30.173 11.488 ( -0.000 -13.276 -1.268) 13.337 12.749 ( 0.000 17.984 0.992) 18.011 13.273 ( -0.000 -4.310 3.273) 5.412 13.477 ( -0.000 -5.833 -9.547) 11.188 14.054 ( 0.000 5.545 -4.685) 7.259 14.979 ( -0.000 -3.221 2.751) 4.236 15.374 ( 0.000 3.197 -1.710) 3.626 15.563 ( 0.000 2.307 0.152) 2.312 15.923 ( 0.000 3.715 -11.274) 11.870 18.665 ( -0.000 -7.895 20.545) 22.009 19.316 ( 0.000 1.579 0.700) 1.727 26.167 ( 0.000 2.448 2.217) 3.303 26.643 ( 0.000 2.735 -2.709) 3.850 27.589 ( 0.000 6.272 0.608) 6.302 27.855 ( 0.000 4.843 -3.737) 6.117 30.506 ( 0.000 13.154 3.389) 13.584 32.298 ( 0.000 18.444 -32.846) 37.670 33.774 ( -0.000 -5.993 4.591) 7.550 34.009 ( -0.000 -11.927 11.704) 16.710 ======================= Grid point 161 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.951 -0.000 1.735) 1.978 2.852 ( -11.550 0.000 10.784) 15.802 3.216 ( 22.607 -0.000 5.627) 23.297 3.407 ( 5.249 -0.000 -0.112) 5.250 4.412 ( 6.927 -0.000 -8.440) 10.919 4.732 ( 5.396 -0.000 -6.631) 8.549 4.805 ( -2.194 0.000 6.087) 6.471 5.068 ( -1.176 0.000 6.899) 6.998 5.732 ( -2.512 0.000 -1.125) 2.753 6.352 ( 16.506 -0.000 -5.420) 17.373 7.170 ( -5.101 0.000 -0.205) 5.105 7.448 ( -20.471 0.000 5.936) 21.314 7.795 ( 11.077 -0.000 -4.829) 12.084 8.252 ( -4.172 0.000 -6.325) 7.577 8.311 ( -9.143 0.000 0.889) 9.186 8.646 ( -12.404 0.000 -2.859) 12.729 9.826 ( -18.689 0.000 4.013) 19.115 10.456 ( -2.127 0.000 -4.855) 5.301 12.380 ( 6.681 -0.000 7.773) 10.249 13.354 ( 6.476 -0.000 -2.959) 7.120 13.710 ( -4.982 0.000 4.823) 6.933 14.483 ( -1.264 0.000 -3.705) 3.915 15.302 ( -0.172 0.000 0.793) 0.812 15.361 ( 1.177 -0.000 0.002) 1.177 15.443 ( 0.797 -0.000 2.235) 2.373 15.972 ( 5.486 -0.000 -5.317) 7.640 18.675 ( 2.510 -0.000 3.327) 4.168 18.923 ( -1.284 0.000 -0.407) 1.347 26.665 ( -4.726 0.000 0.724) 4.781 26.883 ( 0.528 -0.000 -1.404) 1.500 28.079 ( 1.566 -0.000 3.393) 3.737 28.976 ( -13.782 0.000 -6.211) 15.117 30.861 ( 7.114 -0.000 1.098) 7.198 32.186 ( 17.258 -0.000 -19.434) 25.990 33.320 ( -6.983 0.000 4.871) 8.514 33.349 ( 3.265 -0.000 11.407) 11.865 ======================= Grid point 162 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.528 4.269 5.351) 7.014 2.605 ( -15.454 -1.490 12.637) 20.018 3.465 ( 3.388 2.412 1.588) 4.451 3.528 ( 17.829 8.751 1.093) 19.891 4.331 ( -23.081 -2.388 -6.909) 24.211 4.773 ( 8.212 3.931 -2.959) 9.573 4.897 ( 7.890 -3.210 3.383) 9.165 5.127 ( 6.763 -1.320 3.220) 7.606 5.691 ( -0.272 2.384 -4.262) 4.892 6.488 ( -8.059 -1.319 -12.967) 15.324 6.974 ( -8.171 -0.665 8.793) 12.022 7.253 ( -1.477 7.063 6.595) 9.775 7.904 ( -2.549 -1.346 -9.753) 10.170 8.059 ( -8.021 5.468 -3.066) 10.180 8.268 ( -10.213 -10.662 0.725) 14.782 8.422 ( -8.302 -0.198 -2.797) 8.763 9.545 ( -14.938 -2.706 8.025) 17.171 10.480 ( 1.502 -4.364 -5.700) 7.334 12.527 ( 9.096 -1.884 7.463) 11.915 13.456 ( 8.313 4.939 -2.908) 10.097 13.600 ( -8.025 -0.494 4.634) 9.280 14.440 ( -2.824 0.968 -4.650) 5.526 15.262 ( -4.921 -0.361 1.128) 5.062 15.381 ( 2.140 1.270 -0.108) 2.491 15.476 ( 2.801 -0.400 2.292) 3.641 16.045 ( 2.129 -1.051 -4.920) 5.463 18.682 ( 2.488 5.855 3.053) 7.056 18.952 ( -0.069 -6.434 -0.652) 6.468 26.612 ( -1.469 0.512 0.781) 1.740 26.874 ( -3.682 -3.031 -2.035) 5.185 28.063 ( -2.080 1.178 2.896) 3.755 28.694 ( -15.604 4.348 -3.910) 16.663 30.997 ( 9.667 2.531 2.607) 10.328 32.472 ( 15.036 -1.005 -17.267) 22.919 33.213 ( -5.686 -0.733 5.702) 8.086 33.424 ( 4.661 -1.141 7.082) 8.555 ======================= Grid point 163 (63/144) ======================= q-point: (-0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -7.151 0.639 9.925) 12.250 2.456 ( -0.485 1.907 7.408) 7.665 3.428 ( -4.878 8.553 -1.045) 9.901 3.588 ( -1.339 10.666 3.793) 11.399 3.872 ( -20.038 1.872 -3.884) 20.496 4.848 ( -0.583 -1.246 4.647) 4.846 5.035 ( 11.620 6.777 0.555) 13.464 5.303 ( 9.396 0.373 -3.009) 9.873 5.671 ( 3.068 4.444 -8.675) 10.219 6.146 ( -25.842 -1.685 -5.620) 26.500 6.933 ( -3.956 3.973 8.256) 9.980 7.163 ( -0.309 5.884 1.487) 6.076 7.676 ( -23.675 -10.280 -3.481) 26.044 7.950 ( -2.043 1.211 -8.101) 8.442 8.224 ( -0.888 -2.514 1.440) 3.030 8.419 ( -0.451 -5.222 -4.849) 7.140 9.407 ( -9.632 -10.834 11.308) 18.385 10.593 ( 3.784 -7.221 -5.789) 9.999 12.723 ( 9.942 -3.682 5.989) 12.176 13.454 ( -8.868 -0.752 4.312) 9.889 13.518 ( 7.670 9.634 -2.212) 12.511 14.373 ( -3.137 1.709 -5.490) 6.550 15.154 ( -8.159 -1.095 2.220) 8.526 15.408 ( 2.970 1.746 -0.642) 3.504 15.534 ( 3.500 0.261 1.513) 3.822 16.064 ( -1.054 -0.895 -5.024) 5.210 18.648 ( 2.098 6.486 4.040) 7.924 19.042 ( 0.830 -7.673 -0.993) 7.781 26.586 ( -0.770 2.144 0.787) 2.411 26.826 ( -7.537 -5.923 -1.740) 9.742 28.008 ( -1.279 2.331 1.646) 3.128 28.367 ( -16.051 5.030 -2.097) 16.951 31.106 ( 9.189 7.525 3.623) 12.417 32.695 ( 10.895 2.369 -17.520) 20.767 33.165 ( -1.977 -4.105 7.305) 8.610 33.526 ( 4.931 -2.203 4.429) 6.984 ======================= Grid point 164 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -7.913 -3.573 9.581) 12.930 2.471 ( 5.088 5.266 -0.148) 7.324 2.881 ( -39.531 4.519 3.768) 39.967 3.426 ( -2.622 10.925 -2.055) 11.422 3.717 ( 6.928 19.452 1.785) 20.726 4.744 ( -9.740 4.076 7.537) 12.972 5.140 ( 6.449 5.523 0.377) 8.499 5.335 ( 6.189 12.340 -9.485) 16.749 5.706 ( -10.752 -7.978 -4.032) 13.982 5.823 ( -1.999 2.568 0.020) 3.255 6.679 ( -15.437 7.367 4.180) 17.608 7.019 ( -13.298 -1.494 -1.774) 13.498 7.546 ( -1.167 -4.217 4.681) 6.407 7.983 ( -0.182 -8.869 -8.658) 12.396 8.264 ( 1.294 -3.143 -3.657) 4.992 8.447 ( -1.789 -2.159 -5.120) 5.837 9.472 ( -3.662 -20.563 12.575) 24.379 10.765 ( 4.804 -9.903 -5.500) 12.305 12.937 ( 8.911 -5.299 3.634) 10.986 13.315 ( -8.893 -2.162 5.142) 10.498 13.505 ( 6.892 14.933 -2.256) 16.601 14.299 ( -2.705 2.418 -6.121) 7.116 15.026 ( -8.498 -2.116 3.217) 9.330 15.438 ( 3.064 2.153 -1.485) 4.028 15.583 ( 3.114 1.125 0.865) 3.422 16.037 ( -2.722 -0.359 -5.416) 6.072 18.614 ( 1.737 5.123 6.020) 8.093 19.143 ( 1.078 -7.010 -1.060) 7.171 26.499 ( -6.864 2.339 1.215) 7.352 26.779 ( -4.376 -4.254 -1.532) 6.292 27.975 ( -0.862 2.179 0.088) 2.345 28.056 ( -12.184 4.789 -0.696) 13.110 31.125 ( 6.282 12.862 4.239) 14.928 32.762 ( 3.784 6.976 -15.268) 17.207 33.263 ( 4.387 -8.291 4.695) 10.490 33.636 ( 4.207 -3.159 3.396) 6.262 ======================= Grid point 165 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -28.832 4.272 -1.300) 29.175 2.258 ( -8.933 4.546 14.815) 17.887 2.586 ( 3.766 0.633 -4.721) 6.072 3.215 ( -1.850 17.858 -5.683) 18.832 3.566 ( 3.491 24.012 8.327) 25.654 4.440 ( -11.904 14.562 7.004) 20.070 5.147 ( 4.884 4.449 -5.053) 8.318 5.335 ( 6.267 9.367 -3.704) 11.863 5.498 ( -15.191 -5.280 -4.501) 16.700 5.903 ( 2.252 0.757 5.397) 5.897 6.393 ( -8.548 -1.167 0.904) 8.675 6.837 ( -10.103 -3.814 1.951) 10.974 7.640 ( 10.530 4.193 2.338) 11.572 8.027 ( -8.622 -6.172 -7.816) 13.173 8.353 ( 2.124 -7.636 -4.423) 9.076 8.428 ( -1.635 -2.963 -5.129) 6.145 9.726 ( 0.365 -27.835 11.454) 30.102 10.970 ( 3.836 -12.636 -4.884) 14.079 13.126 ( 5.103 -5.105 0.899) 7.274 13.215 ( -5.700 -2.987 5.338) 8.361 13.421 ( 4.943 16.893 -2.416) 17.766 14.228 ( -1.727 3.342 -6.344) 7.376 14.927 ( -5.916 -2.777 4.090) 7.709 15.458 ( 2.205 2.581 -2.157) 4.023 15.611 ( 1.923 1.620 0.475) 2.559 15.992 ( -2.203 0.166 -6.122) 6.509 18.593 ( 1.142 2.977 8.966) 9.516 19.232 ( 0.815 -5.655 -0.795) 5.768 26.332 ( -8.085 2.118 1.976) 8.589 26.754 ( -1.730 0.455 -2.252) 2.877 27.795 ( -8.955 2.693 0.818) 9.387 27.989 ( 2.059 3.583 -1.335) 4.343 31.031 ( 2.543 16.538 4.525) 17.333 32.707 ( 0.924 8.625 -14.428) 16.835 33.450 ( 4.596 -9.317 1.712) 10.529 33.737 ( 2.715 -4.252 3.764) 6.295 ======================= Grid point 166 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 8.263 4.243) 9.289 2.102 ( 0.000 16.357 7.771) 18.109 2.617 ( 0.000 1.170 -6.189) 6.298 2.999 ( 0.000 20.868 0.804) 20.883 3.328 ( 0.000 16.634 8.563) 18.708 4.116 ( 0.000 19.493 6.563) 20.568 5.169 ( 0.000 9.473 -9.242) 13.235 5.320 ( 0.000 6.009 3.627) 7.018 5.388 ( -0.000 -9.832 -9.914) 13.963 5.851 ( 0.000 4.339 6.530) 7.840 6.428 ( -0.000 -9.211 0.444) 9.221 6.792 ( -0.000 -4.429 4.122) 6.050 7.739 ( 0.000 8.242 -2.397) 8.584 7.862 ( 0.000 4.736 -3.226) 5.731 8.433 ( -0.000 -5.121 -1.268) 5.276 8.538 ( -0.000 -14.902 -6.554) 16.279 10.070 ( -0.000 -30.215 9.657) 31.720 11.161 ( -0.000 -14.561 -3.804) 15.050 13.156 ( 0.000 12.305 -0.369) 12.311 13.188 ( -0.000 -3.176 4.742) 5.707 13.356 ( 0.000 0.111 -4.185) 4.186 14.168 ( 0.000 4.378 -5.989) 7.419 14.906 ( -0.000 -3.107 4.227) 5.246 15.446 ( 0.000 3.041 -2.251) 3.783 15.610 ( 0.000 1.788 0.368) 1.826 15.968 ( 0.000 0.756 -7.350) 7.389 18.586 ( 0.000 0.143 12.549) 12.550 19.293 ( -0.000 -3.602 -0.364) 3.620 26.226 ( 0.000 2.665 2.283) 3.509 26.710 ( 0.000 3.067 -2.723) 4.102 27.688 ( 0.000 2.803 1.323) 3.100 27.964 ( 0.000 4.455 -1.885) 4.838 30.856 ( 0.000 17.218 4.402) 17.772 32.608 ( 0.000 10.368 -18.207) 20.952 33.598 ( -0.000 -9.106 1.854) 9.293 33.820 ( -0.000 -5.866 5.268) 7.884 ======================= Grid point 173 (67/144) ======================= q-point: ( 0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -13.444 0.000 17.053) 21.715 2.485 ( 4.496 -0.000 2.425) 5.109 3.485 ( -4.300 0.000 0.749) 4.365 3.761 ( -35.000 0.000 1.538) 35.034 3.882 ( 14.992 -0.000 -3.717) 15.446 4.846 ( 1.241 -0.000 4.088) 4.272 5.174 ( 17.318 -0.000 -1.733) 17.405 5.236 ( 7.547 -0.000 0.864) 7.596 5.744 ( 4.860 -0.000 -8.169) 9.506 6.117 ( -27.548 0.000 -8.021) 28.692 6.954 ( 0.265 -0.000 7.877) 7.882 7.274 ( -0.845 0.000 3.660) 3.756 7.516 ( -32.900 0.000 -6.143) 33.469 8.056 ( -3.361 0.000 -0.776) 3.449 8.136 ( 3.624 -0.000 -4.234) 5.573 8.342 ( -1.867 0.000 -6.109) 6.388 9.279 ( -13.173 0.000 12.018) 17.831 10.508 ( 4.141 -0.000 -6.784) 7.948 12.681 ( 9.920 -0.000 7.699) 12.558 13.442 ( -9.730 0.000 4.832) 10.864 13.634 ( 8.766 -0.000 -2.990) 9.262 14.393 ( -3.166 0.000 -5.816) 6.622 15.141 ( -8.510 0.000 2.525) 8.877 15.431 ( 2.822 -0.000 -1.248) 3.086 15.534 ( 3.880 -0.000 1.890) 4.316 16.052 ( -0.684 0.000 -4.230) 4.285 18.774 ( 2.900 -0.000 2.147) 3.609 18.902 ( -0.142 0.000 -0.263) 0.299 26.626 ( 2.331 -0.000 0.199) 2.339 26.743 ( -9.277 0.000 -1.092) 9.341 28.035 ( -1.502 0.000 1.603) 2.196 28.427 ( -17.717 0.000 -2.588) 17.905 31.200 ( 11.434 -0.000 3.663) 12.007 32.715 ( 13.627 -0.000 -14.632) 19.995 33.118 ( -4.634 0.000 5.574) 7.249 33.500 ( 4.798 -0.000 4.064) 6.288 ======================= Grid point 175 (68/144) ======================= q-point: (-0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -8.072 -1.306 18.008) 19.778 2.557 ( 4.932 2.091 -2.329) 5.841 2.931 ( -44.648 0.771 2.973) 44.753 3.575 ( 1.806 3.240 3.903) 5.385 4.061 ( 11.038 7.692 -5.155) 14.407 4.820 ( -2.797 2.606 7.078) 8.044 5.278 ( 3.324 6.847 -0.771) 7.650 5.437 ( 3.299 -5.808 -1.514) 6.849 5.681 ( -9.965 6.854 -5.705) 13.373 5.864 ( 4.132 -0.165 -6.055) 7.333 6.831 ( -16.504 5.656 2.607) 17.640 6.957 ( -23.934 -3.543 -1.525) 24.243 7.342 ( 1.578 -8.324 4.059) 9.394 8.001 ( 1.826 5.569 -5.130) 7.789 8.209 ( 1.428 -2.059 -2.948) 3.869 8.354 ( -0.265 -4.662 -9.220) 10.335 9.133 ( -8.584 -8.038 15.012) 19.070 10.607 ( 4.666 -3.693 -7.514) 9.585 12.853 ( 8.605 -1.976 6.897) 11.204 13.283 ( -8.993 -0.714 5.432) 10.531 13.742 ( 7.297 5.510 -2.890) 9.590 14.337 ( -2.681 0.887 -6.784) 7.348 14.993 ( -8.847 -0.791 4.210) 9.830 15.476 ( 3.010 0.954 -1.990) 3.732 15.597 ( 3.364 0.208 0.875) 3.482 16.025 ( -2.514 -0.406 -4.074) 4.804 18.759 ( 1.729 7.124 2.571) 7.768 18.966 ( 0.668 -7.942 -0.309) 7.976 26.548 ( -9.925 1.699 0.643) 10.090 26.702 ( 2.728 -2.239 -0.863) 3.633 28.018 ( -0.215 1.262 0.006) 1.280 28.123 ( -15.723 1.265 -1.106) 15.813 31.352 ( 9.418 5.904 4.220) 11.889 32.892 ( 7.488 4.445 -12.308) 15.077 33.091 ( -0.056 -5.935 4.426) 7.404 33.583 ( 3.923 -1.324 2.251) 4.713 ======================= Grid point 176 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -18.602 0.157 2.874) 18.823 2.268 ( -19.794 -0.543 20.309) 28.365 2.622 ( 3.464 1.495 -7.042) 7.989 3.531 ( 0.704 10.186 1.510) 10.321 4.081 ( 7.238 16.624 -3.538) 18.473 4.696 ( -4.521 8.132 6.646) 11.434 5.151 ( -9.457 -2.822 -0.205) 9.872 5.446 ( -2.363 1.009 -0.746) 2.675 5.598 ( 5.971 11.744 -5.273) 14.191 5.938 ( 5.340 2.568 0.876) 5.990 6.408 ( -19.111 1.478 -1.456) 19.224 6.755 ( -9.461 -3.069 2.350) 10.220 7.519 ( 4.219 -12.703 2.113) 13.551 7.984 ( 1.716 4.518 -6.652) 8.223 8.252 ( 1.343 -2.921 -4.635) 5.641 8.387 ( -1.725 -2.541 -9.673) 10.149 9.180 ( -3.386 -18.246 15.829) 24.392 10.739 ( 3.289 -7.276 -7.551) 10.990 13.008 ( 5.312 -4.137 5.218) 8.518 13.166 ( -5.687 -1.373 6.033) 8.404 13.751 ( 4.353 10.746 -2.811) 11.930 14.285 ( -1.631 1.675 -7.360) 7.723 14.877 ( -5.812 -1.571 5.541) 8.183 15.507 ( 2.196 1.594 -2.550) 3.724 15.638 ( 1.889 0.735 0.192) 2.036 15.986 ( -2.248 -0.476 -4.281) 4.859 18.703 ( 0.919 6.439 4.195) 7.740 19.070 ( 0.559 -8.199 -0.605) 8.240 26.372 ( -7.836 1.290 1.916) 8.169 26.767 ( 2.934 0.516 -2.072) 3.628 27.853 ( -10.045 2.363 0.580) 10.336 28.035 ( 0.735 0.598 -1.315) 1.621 31.372 ( 4.817 12.233 4.574) 13.920 32.877 ( 0.859 6.778 -6.630) 9.520 33.235 ( 3.700 -9.391 -1.656) 10.228 33.658 ( 2.250 -2.594 1.739) 3.849 ======================= Grid point 177 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 4.441 1.143) 4.585 2.201 ( -0.000 -2.734 20.131) 20.316 2.644 ( 0.000 1.076 -8.684) 8.750 3.375 ( 0.000 15.893 -1.503) 15.964 3.915 ( 0.000 24.680 1.681) 24.737 4.511 ( 0.000 14.544 6.267) 15.837 5.150 ( -0.000 -9.858 -1.621) 9.990 5.361 ( 0.000 7.395 -4.502) 8.658 5.523 ( 0.000 11.336 -2.712) 11.656 5.953 ( 0.000 3.913 6.239) 7.365 6.260 ( -0.000 -4.649 -1.164) 4.793 6.704 ( -0.000 -3.197 3.169) 4.502 7.731 ( -0.000 -14.389 -1.048) 14.427 7.922 ( 0.000 7.420 -5.985) 9.534 8.319 ( -0.000 -4.714 -2.823) 5.494 8.372 ( -0.000 -1.005 -10.417) 10.465 9.411 ( -0.000 -26.224 14.086) 29.768 10.871 ( -0.000 -10.522 -6.569) 12.405 13.115 ( -0.000 -5.771 3.091) 6.547 13.131 ( -0.000 -1.829 5.891) 6.169 13.644 ( 0.000 14.741 -2.826) 15.010 14.247 ( 0.000 2.546 -7.222) 7.658 14.845 ( -0.000 -2.155 5.753) 6.143 15.506 ( 0.000 2.157 -2.691) 3.449 15.643 ( 0.000 1.151 0.113) 1.156 15.970 ( -0.000 -0.346 -4.912) 4.924 18.647 ( 0.000 4.862 6.491) 8.110 19.164 ( -0.000 -7.375 -0.743) 7.412 26.281 ( 0.000 2.031 2.349) 3.105 26.774 ( 0.000 2.411 -2.750) 3.657 27.739 ( 0.000 2.030 1.440) 2.489 28.033 ( 0.000 1.516 -1.738) 2.306 31.247 ( 0.000 16.265 4.765) 16.949 32.803 ( 0.000 7.373 -8.527) 11.273 33.380 ( -0.000 -9.923 -1.594) 10.051 33.714 ( -0.000 -3.711 2.329) 4.381 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -13.570 0.000 8.451) 15.986 2.264 ( -25.217 0.000 19.892) 32.119 2.639 ( 2.968 -0.000 -8.397) 8.907 3.650 ( 3.513 -0.000 3.868) 5.225 4.261 ( 6.999 -0.000 -7.185) 10.030 4.797 ( -2.085 0.000 6.608) 6.929 5.107 ( -16.003 0.000 1.136) 16.043 5.464 ( 4.413 -0.000 0.523) 4.444 5.769 ( 5.899 -0.000 -1.138) 6.008 5.977 ( 5.459 -0.000 -5.659) 7.863 6.426 ( -22.546 0.000 -4.560) 23.003 6.717 ( -7.825 0.000 2.335) 8.166 7.337 ( 2.155 -0.000 4.544) 5.029 8.065 ( 1.375 -0.000 -5.025) 5.210 8.215 ( 0.155 -0.000 -4.149) 4.152 8.330 ( 0.841 -0.000 -12.234) 12.263 8.972 ( -4.386 0.000 17.188) 17.738 10.655 ( 3.135 -0.000 -8.918) 9.453 12.960 ( 5.025 -0.000 7.077) 8.680 13.151 ( -5.575 0.000 6.259) 8.382 13.876 ( 4.374 -0.000 -2.991) 5.299 14.304 ( -1.710 0.000 -7.737) 7.924 14.859 ( -5.719 0.000 6.098) 8.360 15.526 ( 2.068 -0.000 -2.724) 3.420 15.646 ( 2.021 -0.000 0.054) 2.022 15.980 ( -2.197 0.000 -3.664) 4.272 18.849 ( 1.259 -0.000 1.946) 2.318 18.903 ( 0.078 -0.000 0.102) 0.129 26.387 ( -7.799 0.000 1.891) 8.025 26.774 ( 4.578 -0.000 -2.017) 5.003 27.885 ( -11.128 0.000 0.299) 11.132 28.036 ( 0.719 -0.000 -1.213) 1.410 31.521 ( 5.706 -0.000 4.336) 7.167 33.012 ( -1.554 0.000 6.466) 6.650 33.063 ( 5.746 -0.000 -13.009) 14.222 33.628 ( 2.175 -0.000 1.016) 2.401 ======================= Grid point 188 (72/144) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 1.423 0.065) 1.424 2.136 ( -0.000 -1.782 29.472) 29.525 2.662 ( 0.000 0.461 -10.600) 10.610 3.647 ( 0.000 6.729 3.100) 7.409 4.282 ( 0.000 7.588 -7.036) 10.348 4.744 ( 0.000 5.666 6.138) 8.353 4.983 ( -0.000 -4.318 2.243) 4.866 5.488 ( 0.000 3.137 0.370) 3.158 5.773 ( 0.000 8.384 -2.534) 8.759 6.015 ( 0.000 1.433 7.053) 7.197 6.223 ( 0.000 0.187 -11.595) 11.597 6.653 ( -0.000 -1.210 2.005) 2.342 7.414 ( -0.000 -9.757 3.316) 10.305 8.055 ( 0.000 3.809 -6.152) 7.235 8.231 ( -0.000 -2.743 -4.939) 5.650 8.351 ( -0.000 -1.635 -11.874) 11.986 8.988 ( -0.000 -9.487 17.524) 19.927 10.705 ( -0.000 -3.848 -9.012) 9.799 13.018 ( -0.000 -2.364 6.518) 6.933 13.104 ( -0.000 -0.586 6.519) 6.546 13.882 ( 0.000 5.602 -3.000) 6.354 14.284 ( 0.000 0.781 -7.990) 8.028 14.812 ( -0.000 -0.741 6.737) 6.778 15.540 ( 0.000 0.777 -2.939) 3.040 15.661 ( 0.000 0.422 -0.218) 0.475 15.961 ( -0.000 -0.304 -3.716) 3.729 18.789 ( 0.000 7.366 2.561) 7.798 18.981 ( -0.000 -8.376 -0.047) 8.376 26.313 ( 0.000 0.755 2.392) 2.509 26.813 ( 0.000 0.915 -2.774) 2.921 27.778 ( 0.000 1.094 1.155) 1.591 28.044 ( -0.000 -0.123 -1.648) 1.653 31.529 ( 0.000 7.252 4.452) 8.509 32.954 ( 0.000 5.950 0.345) 5.960 33.169 ( -0.000 -7.921 -7.052) 10.606 33.655 ( -0.000 -1.417 0.869) 1.662 ======================= Grid point 250 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 0.000 33.585) 33.585 1.483 ( 0.000 0.000 30.588) 30.588 2.304 ( 0.000 0.000 50.268) 50.268 2.492 ( 0.000 0.000 -5.349) 5.349 3.312 ( 0.000 0.000 -22.773) 22.773 3.375 ( 0.000 0.000 10.496) 10.496 4.485 ( 0.000 0.000 -15.913) 15.913 4.890 ( 0.000 0.000 -29.575) 29.575 6.007 ( 0.000 0.000 7.862) 7.862 6.240 ( 0.000 0.000 -0.837) 0.837 6.456 ( 0.000 0.000 -6.633) 6.633 6.795 ( 0.000 0.000 -11.609) 11.609 7.449 ( 0.000 0.000 15.694) 15.694 7.915 ( 0.000 0.000 21.009) 21.009 8.378 ( 0.000 0.000 -12.191) 12.191 8.633 ( 0.000 0.000 -1.686) 1.686 11.849 ( 0.000 0.000 4.972) 4.972 12.099 ( 0.000 0.000 -2.947) 2.947 12.571 ( 0.000 0.000 8.955) 8.955 13.206 ( 0.000 0.000 -8.691) 8.691 13.468 ( 0.000 0.000 2.888) 2.888 13.781 ( 0.000 0.000 -5.145) 5.145 15.110 ( 0.000 0.000 2.089) 2.089 15.251 ( 0.000 0.000 -1.747) 1.747 15.433 ( 0.000 0.000 0.087) 0.087 15.475 ( 0.000 0.000 -0.949) 0.949 19.242 ( 0.000 0.000 3.987) 3.987 19.501 ( 0.000 0.000 -3.024) 3.024 26.170 ( 0.000 0.000 4.026) 4.026 26.495 ( 0.000 0.000 -4.719) 4.719 27.320 ( 0.000 0.000 0.289) 0.289 27.348 ( 0.000 0.000 -0.474) 0.474 30.272 ( 0.000 0.000 4.574) 4.574 30.716 ( 0.000 0.000 -7.841) 7.841 34.082 ( 0.000 0.000 10.419) 10.419 34.715 ( 0.000 0.000 -7.049) 7.049 ======================= Grid point 251 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.253 6.816 30.243) 31.443 1.621 ( 9.351 -10.394 28.843) 32.053 2.523 ( 9.851 2.915 6.975) 12.417 2.645 ( 24.337 -7.789 27.079) 37.232 3.273 ( -0.592 3.149 -20.561) 20.809 3.670 ( 25.585 -5.118 6.790) 26.961 4.355 ( -11.900 -4.131 -19.442) 23.166 5.074 ( 14.321 -2.520 -21.791) 26.197 5.899 ( -16.288 12.102 11.880) 23.514 6.129 ( 8.580 0.623 7.898) 11.678 6.456 ( 2.829 -0.511 -6.985) 7.554 7.166 ( 30.664 7.165 -21.686) 38.235 7.459 ( -1.171 -3.838 14.536) 15.080 7.922 ( 2.180 1.443 17.923) 18.113 8.440 ( -2.141 -9.728 -13.566) 16.830 8.641 ( 1.479 -0.965 -4.690) 5.012 11.650 ( -17.305 10.292 3.984) 20.524 11.807 ( -19.283 11.581 0.300) 22.495 12.512 ( -3.671 -2.062 10.903) 11.687 13.205 ( -1.889 -1.352 -9.361) 9.645 13.584 ( 11.017 3.185 3.623) 12.027 13.885 ( 9.540 -1.267 -4.473) 10.613 15.115 ( 1.678 0.677 0.727) 1.950 15.257 ( 0.112 -0.911 -2.100) 2.292 15.454 ( -2.063 -1.903 -0.542) 2.859 15.462 ( -2.280 -6.821 -1.200) 7.292 19.229 ( -2.884 -1.976 3.008) 4.612 19.284 ( -15.425 5.500 6.080) 17.468 26.279 ( 11.307 -0.539 5.259) 12.482 26.908 ( 33.291 9.629 -16.320) 38.306 27.369 ( 0.827 -4.311 0.215) 4.395 27.486 ( 16.632 -11.705 -8.287) 21.961 30.315 ( 2.811 -3.800 4.182) 6.311 30.801 ( -0.786 -15.856 -11.518) 19.614 34.039 ( -3.541 2.025 9.752) 10.571 34.521 ( -14.728 7.631 0.414) 16.593 ======================= Grid point 252 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 16.372 -0.158 18.752) 24.893 1.968 ( 13.757 -14.886 21.230) 29.352 2.612 ( 7.259 6.778 -1.530) 10.049 3.177 ( 13.191 3.700 -3.684) 14.187 3.321 ( 23.587 -4.232 6.143) 24.738 4.187 ( 14.900 -5.423 -5.698) 16.849 4.335 ( 11.960 -10.678 -4.262) 16.590 5.340 ( 10.490 -1.375 -11.393) 15.548 5.537 ( -9.844 8.202 12.422) 17.846 6.049 ( -13.434 1.582 0.322) 13.531 6.727 ( 24.480 1.912 3.723) 24.835 7.358 ( 4.143 9.943 7.628) 13.199 7.608 ( 12.785 -2.004 -8.447) 15.454 7.990 ( 8.428 0.626 5.250) 9.949 8.443 ( -4.391 -1.907 -8.466) 9.726 8.700 ( -0.317 -3.399 -14.376) 14.776 11.100 ( -22.256 17.305 6.407) 28.911 11.402 ( -18.331 4.810 -1.854) 19.042 12.508 ( -2.443 -5.451 9.743) 11.429 13.161 ( -3.408 1.220 -8.594) 9.325 13.700 ( 8.136 4.797 6.594) 11.519 14.069 ( 10.205 0.380 -4.089) 11.000 15.166 ( 5.270 0.927 -0.866) 5.421 15.276 ( 0.900 -1.073 -2.145) 2.562 15.428 ( -3.029 -2.882 0.961) 4.290 15.543 ( -0.276 -9.670 -4.654) 10.735 18.992 ( -11.047 4.319 11.416) 16.462 19.199 ( -4.194 -3.373 0.734) 5.432 26.503 ( 13.078 0.696 6.623) 14.676 27.100 ( 5.559 5.051 -7.691) 10.750 27.484 ( 6.693 -5.412 2.108) 8.861 28.025 ( 30.953 5.234 -22.320) 38.519 30.449 ( 5.831 -5.676 2.837) 8.617 31.031 ( 0.243 -24.518 -19.560) 31.366 33.923 ( -6.107 3.678 8.512) 11.102 34.160 ( -15.244 7.172 8.531) 18.884 ======================= Grid point 253 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 16.268 -6.703 10.448) 20.464 2.406 ( 18.309 -13.194 13.774) 26.439 2.609 ( 4.595 10.330 -1.358) 11.387 3.218 ( 1.940 0.051 -11.887) 12.044 3.881 ( 29.598 -0.165 6.614) 30.328 4.377 ( 8.700 -7.498 -11.428) 16.202 4.833 ( 12.675 -9.051 10.398) 18.727 5.211 ( 1.360 6.962 9.514) 11.867 5.660 ( 11.557 -4.649 -7.788) 14.691 5.738 ( -18.705 2.898 -1.809) 19.015 7.083 ( 18.374 2.954 10.340) 21.289 7.270 ( -1.145 7.352 10.849) 13.155 7.779 ( 7.444 1.884 -6.247) 9.899 8.156 ( 6.373 0.743 -9.083) 11.121 8.406 ( 1.944 -1.190 -3.924) 4.538 8.660 ( -3.482 3.068 -13.597) 14.367 10.599 ( -16.373 12.106 8.004) 21.879 11.075 ( -14.871 2.199 -4.751) 15.766 12.543 ( -2.204 -7.725 7.618) 11.071 13.065 ( -3.954 4.284 -6.564) 8.779 13.773 ( 6.280 3.621 7.570) 10.481 14.206 ( 7.390 1.814 -4.567) 8.874 15.257 ( 5.879 0.799 -0.145) 5.935 15.311 ( 1.821 -0.768 -0.221) 1.989 15.420 ( -1.914 -3.189 1.433) 3.986 15.659 ( 1.372 -8.764 -7.887) 11.870 18.807 ( -6.352 2.840 11.488) 13.431 19.167 ( -3.873 -3.249 -1.580) 5.296 26.666 ( 7.750 2.093 5.749) 9.874 27.094 ( -2.120 -0.239 -5.203) 5.623 27.707 ( 11.881 -4.322 4.398) 13.386 28.330 ( 18.394 12.810 -14.385) 26.634 30.613 ( 5.519 -5.428 2.272) 8.067 31.326 ( 2.189 -22.090 -25.091) 33.501 33.758 ( -7.015 4.724 8.768) 12.182 33.885 ( -9.755 3.576 8.889) 13.674 ======================= Grid point 254 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 10.207 -8.509 6.588) 14.832 2.570 ( 4.551 9.208 6.457) 12.133 2.838 ( 17.029 -5.035 9.971) 20.366 3.288 ( 4.204 -6.230 -6.310) 9.813 4.299 ( 18.992 -0.910 -4.043) 19.439 4.526 ( -6.572 1.578 -3.274) 7.510 4.796 ( 0.243 -3.151 3.677) 4.849 5.378 ( -15.819 3.303 -4.522) 16.781 5.561 ( 24.125 -0.949 5.555) 24.775 5.878 ( 5.973 -6.198 -2.193) 8.883 7.171 ( -1.796 3.203 8.273) 9.052 7.289 ( 10.242 4.073 10.444) 15.184 7.808 ( -1.112 3.327 -9.654) 10.272 8.110 ( -5.256 2.925 -10.144) 11.793 8.528 ( 3.840 0.149 -3.360) 5.105 8.625 ( 7.421 1.706 -5.938) 9.656 10.268 ( -10.173 6.697 10.103) 15.824 10.854 ( -9.310 0.385 -6.244) 11.217 12.607 ( -1.571 -9.212 4.761) 10.488 12.940 ( -3.108 6.849 -4.090) 8.561 13.832 ( 4.420 2.182 7.428) 8.915 14.285 ( 4.469 1.813 -4.938) 6.902 15.335 ( 3.634 0.159 1.072) 3.792 15.346 ( 1.385 -0.364 3.189) 3.496 15.433 ( -0.452 -2.262 0.527) 2.366 15.775 ( 2.077 -5.882 -9.967) 11.758 18.700 ( -3.325 1.670 10.763) 11.388 19.143 ( -2.607 -2.233 -3.283) 4.750 26.734 ( 3.639 2.159 4.224) 5.979 27.051 ( -3.886 -1.768 -4.239) 6.016 27.942 ( 10.198 -2.217 5.341) 11.723 28.424 ( 9.073 9.849 -6.977) 15.099 30.746 ( 3.425 -4.201 2.555) 5.993 31.574 ( 2.397 -13.937 -26.440) 29.985 33.610 ( -4.296 3.409 8.665) 10.254 33.726 ( -5.964 1.648 7.495) 9.719 ======================= Grid point 255 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 3.275 -4.662 4.285) 7.129 2.557 ( 2.681 4.347 14.122) 15.017 3.021 ( 3.623 0.694 5.671) 6.765 3.534 ( 10.887 -7.087 10.147) 16.483 4.227 ( -12.700 5.041 -6.334) 15.061 4.569 ( 7.196 -2.859 -12.033) 14.309 4.923 ( 4.527 -1.982 -4.589) 6.744 5.119 ( -8.050 2.849 -5.561) 10.191 5.893 ( 16.105 6.593 4.236) 17.910 5.985 ( -4.184 -9.436 2.010) 10.516 7.124 ( -1.065 0.670 6.501) 6.622 7.384 ( 5.112 2.556 2.818) 6.373 7.719 ( -3.872 0.891 -4.603) 6.081 7.998 ( -3.055 1.945 -11.094) 11.670 8.558 ( 1.360 0.282 1.106) 1.775 8.751 ( 4.778 0.131 -4.621) 6.649 10.100 ( -3.586 2.168 11.632) 12.364 10.747 ( -3.147 -0.081 -6.773) 7.469 12.697 ( -0.278 -9.582 1.634) 9.724 12.812 ( -1.465 8.710 -1.383) 8.940 13.868 ( 1.624 0.745 7.277) 7.493 14.322 ( 1.532 0.739 -4.952) 5.236 15.358 ( 0.073 -0.433 4.614) 4.635 15.381 ( 1.562 0.248 2.181) 2.694 15.447 ( -0.006 -0.768 -0.029) 0.769 15.849 ( 0.983 -2.053 -10.733) 10.971 18.651 ( -1.042 0.554 10.299) 10.367 19.130 ( -0.909 -0.783 -4.162) 4.331 26.756 ( 1.189 0.963 3.277) 3.617 27.014 ( -1.909 -0.934 -3.744) 4.305 28.081 ( 3.846 -0.604 5.254) 6.540 28.445 ( 2.738 3.514 -3.463) 5.643 30.819 ( 1.140 -1.614 2.921) 3.526 31.710 ( 0.990 -4.683 -26.401) 26.831 33.539 ( -1.168 1.218 7.477) 7.665 33.642 ( -2.261 0.485 7.647) 7.989 ======================= Grid point 262 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 11.577 -0.000 25.143) 27.680 1.733 ( 18.594 -0.000 21.999) 28.805 2.704 ( 8.617 -0.000 -1.228) 8.704 3.201 ( 34.127 -0.000 19.050) 39.084 3.286 ( 5.443 -0.000 -13.159) 14.240 4.146 ( 31.244 -0.000 3.831) 31.478 4.186 ( -3.856 0.000 -17.350) 17.774 5.310 ( 14.470 -0.000 -15.284) 21.047 5.665 ( -16.789 0.000 14.857) 22.419 6.067 ( -13.151 0.000 1.782) 13.271 6.752 ( 25.405 -0.000 2.873) 25.566 7.420 ( -1.132 0.000 13.836) 13.882 7.717 ( 23.233 -0.000 -29.086) 37.225 7.987 ( 5.234 -0.000 10.857) 12.052 8.355 ( -0.657 0.000 -11.317) 11.336 8.634 ( -1.361 0.000 -6.556) 6.696 11.358 ( -23.108 0.000 1.387) 23.150 11.426 ( -27.403 0.000 1.452) 27.441 12.450 ( -1.820 0.000 11.783) 11.923 13.171 ( -1.683 0.000 -8.207) 8.378 13.769 ( 7.163 -0.000 6.681) 9.795 14.074 ( 11.732 -0.000 -3.007) 12.112 15.189 ( 6.648 -0.000 -3.313) 7.428 15.263 ( 1.291 -0.000 -2.288) 2.627 15.384 ( -1.937 0.000 0.456) 1.990 15.405 ( -1.694 0.000 -0.544) 1.780 19.047 ( -13.232 0.000 9.711) 16.413 19.150 ( -4.530 0.000 1.962) 4.937 26.514 ( 14.543 -0.000 7.397) 16.316 27.145 ( -3.692 0.000 -5.227) 6.400 27.439 ( 8.574 -0.000 0.616) 8.596 28.116 ( 47.149 -0.000 -39.313) 61.388 30.393 ( 9.528 -0.000 0.368) 9.535 30.689 ( -1.121 0.000 -6.529) 6.625 33.965 ( -6.324 0.000 8.971) 10.976 34.250 ( -19.215 0.000 8.917) 21.183 ======================= Grid point 263 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 15.700 1.143 16.332) 22.683 2.166 ( 25.183 -6.485 13.002) 29.074 2.802 ( 6.268 5.110 0.708) 8.119 3.237 ( -1.511 0.942 -16.962) 17.055 3.888 ( 34.831 0.787 14.205) 37.625 4.238 ( 7.758 -4.344 -9.428) 12.959 4.661 ( 21.839 -4.398 6.026) 23.078 5.381 ( -6.663 6.354 9.722) 13.390 5.568 ( 11.125 -3.719 -8.140) 14.278 5.779 ( -18.659 0.899 -0.165) 18.682 7.140 ( 19.049 1.621 8.642) 20.980 7.390 ( -2.022 2.015 12.358) 12.683 7.907 ( 9.260 9.521 -14.021) 19.312 8.135 ( 6.991 -3.224 -5.690) 9.573 8.384 ( 2.606 -1.055 -7.378) 7.896 8.611 ( -4.187 -4.655 -11.183) 12.816 10.863 ( -22.794 10.506 2.854) 25.260 11.050 ( -21.462 -4.357 -1.750) 21.969 12.443 ( -0.419 -1.750 11.154) 11.298 13.135 ( -1.615 1.618 -7.604) 7.940 13.845 ( 4.212 2.189 8.235) 9.505 14.243 ( 8.299 1.011 -3.377) 9.017 15.288 ( 4.047 1.743 -1.262) 4.584 15.306 ( 4.463 0.887 -1.259) 4.721 15.368 ( -0.838 -1.231 0.517) 1.577 15.456 ( 2.970 -7.886 -5.013) 9.806 18.863 ( -7.286 1.801 9.589) 12.177 19.087 ( -4.509 -2.773 0.229) 5.299 26.710 ( 8.535 1.365 6.157) 10.612 27.055 ( -6.828 -1.826 -2.443) 7.478 27.650 ( 14.732 -1.079 3.508) 15.182 28.649 ( 22.469 11.191 -31.511) 40.287 30.574 ( 10.045 3.250 -2.344) 10.815 30.833 ( 7.187 -18.877 -13.546) 24.321 33.833 ( -7.796 1.730 7.990) 11.297 33.944 ( -14.372 1.441 12.399) 19.036 ======================= Grid point 264 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 14.383 -0.788 9.470) 17.238 2.692 ( 26.427 -6.027 9.345) 28.671 2.819 ( 6.370 9.908 3.511) 12.291 3.210 ( -1.033 -1.172 -12.087) 12.188 4.285 ( 15.732 1.390 -0.523) 15.802 4.523 ( 10.384 -3.254 1.359) 10.967 4.765 ( -5.300 -0.241 9.930) 11.259 5.436 ( -12.635 2.062 -2.856) 13.117 5.511 ( 16.824 -0.900 2.238) 16.996 5.789 ( 9.276 -3.829 -3.150) 10.518 7.280 ( -2.025 5.669 9.384) 11.149 7.375 ( 9.322 2.776 8.562) 12.958 7.899 ( -1.273 5.285 -9.178) 10.667 8.149 ( -5.104 0.627 -8.324) 9.784 8.510 ( 6.345 -1.079 -5.239) 8.299 8.612 ( 1.253 -3.717 -8.989) 9.808 10.417 ( -17.199 7.046 5.067) 19.264 10.789 ( -15.328 -5.426 -4.852) 16.968 12.474 ( 0.996 -2.907 9.880) 10.347 13.080 ( -0.450 4.839 -6.425) 8.056 13.880 ( 2.613 1.885 8.046) 8.667 14.333 ( 4.374 1.932 -4.412) 6.506 15.316 ( 0.524 -0.769 2.206) 2.394 15.359 ( 2.672 0.723 1.167) 3.004 15.394 ( 2.108 -1.056 -0.413) 2.394 15.628 ( 6.155 -6.397 -8.580) 12.346 18.748 ( -3.674 2.413 8.912) 9.937 19.061 ( -3.289 -4.304 -1.626) 5.655 26.782 ( 2.653 2.035 3.502) 4.842 26.973 ( -6.263 -4.094 -1.618) 7.655 27.913 ( 13.436 -0.571 5.910) 14.690 28.731 ( 7.510 14.709 -16.641) 23.446 30.685 ( 5.679 -0.808 0.050) 5.737 31.229 ( 13.012 -15.322 -22.311) 30.031 33.675 ( -7.153 2.255 8.531) 11.359 33.744 ( -8.592 0.062 9.940) 13.139 ======================= Grid point 265 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 9.241 -0.801 7.273) 11.787 2.794 ( 6.241 13.101 7.261) 16.227 3.053 ( 7.014 1.748 6.195) 9.520 3.348 ( 14.930 -8.173 1.604) 17.096 4.352 ( -14.586 4.932 1.712) 15.492 4.490 ( 7.828 -2.387 -7.318) 10.978 4.898 ( 8.712 -0.738 -1.977) 8.964 5.178 ( -10.143 2.117 -4.266) 11.205 5.801 ( 2.841 -5.736 4.003) 7.550 6.008 ( 16.535 1.772 -0.995) 16.659 7.172 ( -2.591 4.105 7.968) 9.330 7.464 ( 3.852 4.029 0.879) 5.643 7.749 ( -8.038 1.866 -3.499) 8.963 8.046 ( -4.453 2.174 -9.414) 10.639 8.546 ( -0.765 -1.699 -1.641) 2.483 8.722 ( 2.637 -2.668 -5.332) 6.520 10.130 ( -10.871 1.246 8.129) 13.631 10.656 ( -8.505 -7.061 -6.627) 12.888 12.544 ( 2.810 -3.894 7.649) 9.031 13.015 ( 1.633 8.331 -4.918) 9.811 13.887 ( -0.143 0.874 7.659) 7.711 14.355 ( 0.926 1.881 -5.059) 5.477 15.334 ( 0.240 -1.284 3.299) 3.548 15.383 ( 0.348 -0.365 1.534) 1.614 15.442 ( 2.581 0.248 0.723) 2.692 15.783 ( 5.071 -3.436 -9.596) 11.385 18.680 ( -1.328 2.052 8.817) 9.150 19.069 ( -1.610 -4.258 -3.118) 5.518 26.769 ( -1.962 0.359 2.510) 3.206 26.947 ( -2.312 -4.157 -2.206) 5.244 28.086 ( 6.544 0.820 6.084) 8.973 28.640 ( 0.611 12.033 -8.091) 14.513 30.787 ( 4.725 -1.063 2.116) 5.285 31.569 ( 11.341 -7.321 -24.645) 28.100 33.559 ( -4.571 0.595 7.314) 8.645 33.636 ( -4.490 -0.852 8.638) 9.772 ======================= Grid point 266 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 1.423 0.952 9.398) 9.553 2.732 ( 3.708 13.400 5.860) 15.088 3.042 ( -2.087 3.406 8.075) 9.009 3.615 ( 1.823 -0.428 16.130) 16.238 4.173 ( 3.266 0.715 -12.697) 13.130 4.579 ( -2.136 -1.373 -10.969) 11.259 4.983 ( 2.109 2.337 -4.698) 5.655 5.070 ( 0.729 -0.955 -4.260) 4.426 5.766 ( -11.313 -3.865 6.488) 13.602 6.189 ( 7.424 7.126 -3.674) 10.927 7.122 ( 0.114 0.776 6.432) 6.479 7.369 ( -8.372 1.572 3.494) 9.207 7.704 ( 1.585 -0.511 -4.963) 5.235 7.972 ( -1.477 -0.029 -10.389) 10.494 8.539 ( -2.661 -1.623 1.433) 3.430 8.715 ( -7.106 -3.174 -3.582) 8.568 10.021 ( -3.922 -4.323 10.912) 12.375 10.652 ( -2.151 -7.886 -7.057) 10.799 12.657 ( 4.766 -4.536 4.539) 7.993 12.948 ( 3.612 11.516 -3.138) 12.470 13.854 ( -3.392 -0.473 7.364) 8.122 14.327 ( -2.077 1.083 -5.497) 5.975 15.350 ( -0.027 -0.931 2.997) 3.139 15.375 ( -1.709 -0.264 1.851) 2.533 15.472 ( 2.039 1.210 1.665) 2.897 15.869 ( 2.575 -0.178 -9.951) 10.281 18.656 ( 0.559 1.069 9.318) 9.395 19.099 ( 0.130 -3.315 -3.933) 5.146 26.726 ( -3.491 -1.497 2.998) 4.839 26.977 ( 0.285 -3.658 -3.841) 5.312 28.114 ( -1.063 2.139 5.565) 6.056 28.499 ( -4.073 7.300 -4.067) 9.296 30.857 ( 3.549 1.732 3.769) 5.459 31.774 ( 8.570 1.086 -25.385) 26.814 33.504 ( -2.487 -1.783 7.299) 7.914 33.614 ( 0.010 -1.839 7.127) 7.361 ======================= Grid point 267 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -3.126 1.857 7.144) 8.016 2.586 ( -3.012 14.368 3.942) 15.200 2.925 ( -6.786 4.365 11.658) 14.178 3.469 ( -6.924 8.516 2.412) 11.237 4.248 ( -14.863 -4.816 -7.059) 17.144 4.539 ( 9.945 2.589 -5.028) 11.441 4.908 ( -1.971 6.253 -3.524) 7.443 5.275 ( 14.864 -5.950 -3.230) 16.333 5.534 ( -18.933 -1.405 6.697) 20.132 6.084 ( -6.863 10.051 -6.339) 13.723 7.133 ( 0.368 -0.434 5.779) 5.807 7.223 ( -8.977 -1.195 12.489) 15.427 7.735 ( -0.358 -2.981 -11.173) 11.570 8.017 ( 2.405 -4.932 -11.579) 12.813 8.490 ( -4.946 -2.440 0.785) 5.571 8.582 ( -11.010 -2.480 -2.595) 11.581 10.089 ( 2.662 -9.233 12.274) 15.588 10.754 ( 3.236 -8.243 -6.723) 11.118 12.804 ( 6.254 -4.563 0.970) 7.802 12.877 ( 4.748 13.725 -0.938) 14.553 13.786 ( -6.041 -1.870 7.272) 9.637 14.265 ( -4.302 0.094 -5.923) 7.321 15.324 ( -4.302 -0.591 1.343) 4.546 15.354 ( -0.574 0.241 2.056) 2.148 15.488 ( 2.189 2.304 2.279) 3.910 15.876 ( 0.299 2.978 -9.782) 10.229 18.676 ( 2.359 -0.327 10.349) 10.619 19.146 ( 1.737 -2.005 -3.920) 4.734 26.685 ( -3.900 -2.061 3.910) 5.895 27.025 ( -0.272 -3.901 -5.456) 6.713 28.014 ( -6.055 3.895 5.154) 8.854 28.339 ( -8.627 2.003 -3.045) 9.365 30.861 ( 1.683 5.707 4.797) 7.643 31.838 ( 5.922 9.352 -26.106) 28.356 33.522 ( 0.734 -4.320 8.273) 9.362 33.671 ( 3.314 -3.004 5.644) 7.201 ======================= Grid point 268 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -9.171 18.691 3.724) 21.150 2.414 ( -5.758 -4.461 -1.768) 7.495 2.703 ( -8.038 12.006 14.777) 20.667 3.268 ( -7.760 5.177 -7.566) 12.011 3.873 ( -26.612 -1.132 4.099) 26.950 4.580 ( -2.368 10.273 -14.317) 17.780 4.955 ( 11.037 1.094 10.263) 15.111 5.152 ( -22.249 1.834 9.344) 24.202 5.642 ( 18.754 -5.399 -2.499) 19.675 5.800 ( -12.922 7.625 -9.111) 17.554 7.027 ( -17.007 -1.510 12.732) 21.298 7.141 ( -1.871 -3.175 6.145) 7.166 7.739 ( -3.469 -2.574 -4.431) 6.188 8.101 ( -1.931 -4.624 -13.391) 14.298 8.434 ( -6.005 -0.026 -3.595) 6.999 8.492 ( -0.645 -8.634 -4.678) 9.841 10.313 ( 8.229 -13.673 11.706) 19.792 10.946 ( 7.723 -9.152 -6.045) 13.414 12.799 ( 4.815 14.389 1.675) 15.265 12.966 ( 6.798 -3.933 -2.766) 8.327 13.695 ( -7.724 -3.107 7.375) 11.122 14.180 ( -5.909 -0.325 -6.171) 8.550 15.242 ( -5.897 -0.625 1.049) 6.023 15.333 ( -0.853 1.076 -0.281) 1.401 15.497 ( 2.655 3.245 2.492) 4.878 15.822 ( -0.747 5.433 -8.878) 10.435 18.747 ( 4.343 -2.203 11.780) 12.747 19.201 ( 2.989 -0.560 -3.020) 4.286 26.625 ( -6.067 -1.449 4.770) 7.852 27.035 ( -5.044 -5.069 -6.400) 9.596 27.843 ( -6.001 7.028 4.185) 10.145 28.158 ( -12.843 -2.284 -4.254) 13.721 30.785 ( -0.424 9.320 5.343) 10.752 31.771 ( 3.838 16.905 -26.930) 32.027 33.628 ( 4.330 -6.568 8.685) 11.719 33.791 ( 5.628 -4.592 5.363) 9.029 ======================= Grid point 269 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -13.624 18.817 6.877) 24.228 2.292 ( -15.237 8.286 8.907) 19.498 2.490 ( -1.189 1.269 1.465) 2.274 3.086 ( -11.436 -2.970 -4.784) 12.747 3.438 ( -20.385 5.868 8.573) 22.880 4.389 ( -7.528 11.988 -8.626) 16.576 4.607 ( -16.792 12.064 3.477) 20.967 5.256 ( 8.968 -6.053 9.951) 14.700 5.509 ( -11.513 4.280 -9.385) 15.458 5.991 ( 14.173 -3.806 -1.128) 14.718 6.685 ( -22.728 -1.323 5.726) 23.476 7.134 ( -7.405 -7.694 3.520) 11.244 7.695 ( -1.744 2.147 5.120) 5.820 7.988 ( -10.463 0.826 -4.519) 11.427 8.433 ( 3.045 -1.677 -5.219) 6.271 8.630 ( 1.641 -9.993 -12.976) 16.460 10.679 ( 12.915 -19.237 10.310) 25.361 11.219 ( 10.677 -11.049 -4.608) 16.041 12.717 ( 3.825 13.108 4.312) 14.319 13.114 ( 6.022 -2.539 -6.614) 9.298 13.596 ( -8.634 -4.073 6.962) 11.816 14.068 ( -7.111 0.533 -6.199) 9.448 15.149 ( -5.326 -0.723 1.124) 5.491 15.308 ( -0.042 1.711 -2.174) 2.767 15.506 ( 2.928 3.581 1.896) 4.999 15.739 ( -0.454 6.966 -7.396) 10.170 18.880 ( 6.674 -5.000 13.053) 15.489 19.256 ( 3.503 0.910 -1.275) 3.837 26.495 ( -10.130 0.120 5.144) 11.362 26.950 ( -13.176 -6.804 -6.896) 16.354 27.673 ( -2.511 9.896 2.254) 10.456 27.950 ( -14.021 -1.347 -6.565) 15.540 30.645 ( -1.863 11.381 5.664) 12.849 31.595 ( 2.342 23.186 -27.288) 35.885 33.799 ( 5.554 -7.242 7.955) 12.107 33.976 ( 8.202 -8.136 6.115) 13.071 ======================= Grid point 270 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.019 10.705 18.861) 22.260 1.851 ( -20.653 9.211 19.784) 30.047 2.485 ( -1.240 -0.986 -2.804) 3.220 2.873 ( -11.787 11.053 27.613) 31.993 3.174 ( -4.367 -2.888 -17.062) 17.847 3.895 ( -22.753 14.250 10.903) 28.977 4.514 ( 10.818 8.929 -17.231) 22.218 5.166 ( -12.938 4.776 -19.304) 23.725 5.575 ( 7.212 -12.066 15.465) 20.899 6.102 ( -7.402 -1.442 8.235) 11.166 6.451 ( -0.997 -1.100 -8.761) 8.886 7.004 ( -17.170 -5.624 -8.808) 20.100 7.619 ( 0.365 8.314 9.879) 12.917 7.867 ( -3.945 -2.720 13.418) 14.248 8.519 ( 3.833 -2.235 -5.244) 6.869 8.699 ( -1.593 -0.875 -16.144) 16.246 11.172 ( 13.401 -26.227 9.388) 30.912 11.536 ( 9.379 -13.047 -1.717) 16.160 12.638 ( 2.334 9.705 6.564) 11.946 13.218 ( 3.989 -0.534 -10.102) 10.875 13.494 ( -8.469 -3.933 4.989) 10.587 13.931 ( -6.416 2.614 -6.310) 9.371 15.093 ( -2.306 -1.190 2.243) 3.430 15.291 ( 0.389 2.004 -2.635) 3.333 15.514 ( 2.355 3.249 0.628) 4.061 15.656 ( 0.649 7.861 -5.905) 9.853 19.089 ( 7.916 -9.478 12.060) 17.261 19.294 ( 2.811 2.167 1.041) 3.699 26.303 ( -9.840 1.543 4.581) 10.964 26.732 ( -19.632 -4.714 -7.337) 21.481 27.535 ( -1.066 9.158 0.802) 9.255 27.721 ( -8.113 7.454 -6.869) 12.983 30.484 ( -1.684 10.919 5.820) 12.488 31.338 ( 1.115 26.838 -25.431) 36.990 33.951 ( 3.286 -5.736 8.146) 10.490 34.254 ( 8.868 -13.706 3.907) 16.786 ======================= Grid point 271 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 0.577 30.922) 30.927 1.530 ( 0.000 3.685 25.450) 25.715 2.484 ( -0.000 -0.672 -6.181) 6.217 2.558 ( 0.000 19.118 44.626) 48.549 3.226 ( -0.000 -6.862 -22.962) 23.965 3.512 ( 0.000 11.693 11.337) 16.287 4.573 ( 0.000 6.864 -15.121) 16.606 4.951 ( 0.000 4.893 -27.961) 28.386 5.846 ( -0.000 -20.980 13.241) 24.809 5.999 ( -0.000 -0.540 8.934) 8.950 6.512 ( -0.000 -0.105 -12.510) 12.511 6.803 ( 0.000 0.641 -11.256) 11.274 7.536 ( 0.000 7.275 14.894) 16.576 7.876 ( -0.000 -3.211 19.591) 19.853 8.600 ( -0.000 -2.899 -2.289) 3.694 8.604 ( 0.000 10.827 -18.347) 21.304 11.621 ( -0.000 -25.174 6.806) 26.078 11.786 ( -0.000 -15.483 1.447) 15.550 12.581 ( 0.000 4.405 8.484) 9.559 13.254 ( 0.000 1.544 -12.565) 12.659 13.434 ( -0.000 -2.470 4.101) 4.787 13.828 ( 0.000 3.569 -6.127) 7.091 15.092 ( -0.000 -1.383 2.757) 3.085 15.273 ( 0.000 1.793 -2.212) 2.848 15.501 ( 0.000 2.872 -0.410) 2.902 15.576 ( 0.000 8.333 -4.173) 9.319 19.272 ( -0.000 -1.396 3.635) 3.894 19.331 ( -0.000 -8.586 5.555) 10.226 26.187 ( 0.000 1.492 4.051) 4.317 26.513 ( 0.000 1.590 -4.722) 4.982 27.433 ( 0.000 6.965 0.135) 6.966 27.531 ( 0.000 13.057 -4.838) 13.924 30.360 ( 0.000 7.846 5.428) 9.541 31.047 ( 0.000 25.083 -19.589) 31.826 34.035 ( -0.000 -4.049 9.342) 10.182 34.516 ( -0.000 -15.024 -1.389) 15.089 ======================= Grid point 274 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 14.551 -0.000 9.953) 17.629 2.612 ( 29.049 -0.000 7.636) 30.036 2.945 ( 7.754 -0.000 4.936) 9.192 3.202 ( -2.805 0.000 -15.340) 15.594 4.364 ( 10.400 -0.000 -2.951) 10.810 4.413 ( 20.829 -0.000 10.594) 23.368 4.763 ( -4.378 0.000 10.712) 11.573 5.464 ( -17.717 0.000 -1.598) 17.789 5.534 ( 20.340 -0.000 -0.322) 20.343 5.711 ( 7.184 -0.000 -3.441) 7.965 7.365 ( -2.750 0.000 9.277) 9.676 7.397 ( 10.822 -0.000 6.719) 12.738 8.002 ( -6.297 0.000 -9.185) 11.136 8.145 ( -0.373 0.000 -10.114) 10.121 8.498 ( -4.042 0.000 -6.268) 7.459 8.528 ( 10.779 -0.000 -6.249) 12.459 10.552 ( -22.232 0.000 0.561) 22.239 10.672 ( -16.160 0.000 -2.033) 16.287 12.447 ( 1.818 -0.000 11.571) 11.713 13.137 ( 0.621 -0.000 -7.010) 7.038 13.904 ( 1.612 -0.000 8.446) 8.598 14.357 ( 4.229 -0.000 -4.200) 5.960 15.314 ( 0.188 -0.000 1.304) 1.317 15.354 ( -0.075 0.000 0.547) 0.552 15.395 ( 3.621 -0.000 -0.103) 3.622 15.539 ( 10.269 -0.000 -7.415) 12.666 18.786 ( -3.333 0.000 7.275) 8.002 18.997 ( -3.803 0.000 -0.330) 3.817 26.815 ( 3.247 -0.000 2.760) 4.261 26.912 ( -7.856 0.000 -0.319) 7.862 27.908 ( 14.645 -0.000 6.339) 15.958 28.932 ( 4.560 -0.000 -23.307) 23.749 30.698 ( 2.652 -0.000 -2.093) 3.378 31.006 ( 23.064 -0.000 -17.187) 28.763 33.705 ( -8.130 0.000 6.938) 10.688 33.739 ( -9.883 0.000 12.575) 15.994 ======================= Grid point 275 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 10.979 0.365 6.237) 12.632 3.026 ( 6.636 4.235 2.224) 8.180 3.090 ( 16.226 2.792 9.954) 19.240 3.213 ( 10.774 -3.358 -5.857) 12.715 4.412 ( -12.130 0.912 5.842) 13.494 4.508 ( 6.612 2.460 -1.869) 7.298 4.863 ( 9.749 -2.161 3.481) 10.575 5.213 ( -10.025 0.908 -2.201) 10.303 5.759 ( 3.196 1.883 1.839) 4.140 5.956 ( 18.842 -4.861 -3.689) 19.806 7.281 ( -4.267 3.719 6.598) 8.694 7.539 ( 6.806 1.987 -0.583) 7.114 7.797 ( -13.383 1.791 -1.988) 13.648 8.102 ( -2.675 2.620 -9.642) 10.344 8.468 ( -3.287 -4.329 -1.690) 5.692 8.660 ( 1.953 -1.736 -5.539) 6.124 10.182 ( -16.872 2.960 3.301) 17.445 10.487 ( -10.564 -6.123 -5.223) 13.281 12.501 ( 4.191 -0.557 11.375) 12.135 13.153 ( 3.332 3.324 -6.334) 7.891 13.904 ( -1.386 0.478 8.111) 8.242 14.390 ( 0.421 0.901 -5.316) 5.408 15.318 ( 0.522 -0.008 1.682) 1.761 15.361 ( -0.037 -1.152 0.323) 1.197 15.454 ( 3.388 0.541 1.709) 3.833 15.717 ( 8.403 -1.847 -7.571) 11.460 18.738 ( -0.917 2.417 6.114) 6.638 18.966 ( -2.298 -3.714 -1.256) 4.545 26.781 ( -5.363 0.691 1.237) 5.547 26.862 ( -0.538 -2.673 -0.708) 2.817 28.105 ( 8.126 0.592 7.137) 10.831 28.884 ( -3.580 7.013 -13.901) 15.976 30.774 ( 6.308 -0.141 1.381) 6.459 31.420 ( 20.362 -4.453 -21.175) 29.712 33.568 ( -7.148 0.273 6.773) 9.851 33.615 ( -5.390 -0.724 9.779) 11.190 ======================= Grid point 276 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 5.144 1.732 8.513) 10.096 2.948 ( -4.321 4.854 -0.643) 6.530 3.220 ( 9.962 10.376 10.002) 17.520 3.552 ( 12.597 -3.643 12.654) 18.223 4.220 ( -4.840 2.052 -9.307) 10.690 4.568 ( 3.119 1.467 -6.694) 7.530 4.974 ( 1.803 -2.788 0.499) 3.358 5.104 ( -1.343 3.123 -1.967) 3.928 5.723 ( -6.263 -0.098 4.240) 7.564 6.249 ( 8.649 -1.741 -7.879) 11.828 7.170 ( -3.043 2.791 5.498) 6.876 7.465 ( -8.498 6.645 3.916) 11.476 7.689 ( 1.134 -0.987 -5.070) 5.288 8.005 ( -4.453 3.093 -8.571) 10.142 8.462 ( -4.250 -5.776 0.158) 7.173 8.622 ( -9.567 -3.936 -2.929) 10.751 9.943 ( -10.323 -1.969 7.416) 12.862 10.444 ( -4.614 -8.914 -7.220) 12.364 12.601 ( 6.575 -0.882 10.015) 12.013 13.171 ( 5.796 7.434 -5.544) 10.936 13.848 ( -4.763 -0.087 7.732) 9.081 14.357 ( -2.585 1.243 -6.297) 6.920 15.329 ( -0.076 -0.682 1.588) 1.730 15.367 ( -0.546 -0.470 0.564) 0.915 15.496 ( 2.593 0.831 3.161) 4.172 15.851 ( 5.197 -1.070 -8.027) 9.622 18.702 ( 0.515 2.968 6.387) 7.062 18.995 ( -0.570 -5.332 -2.424) 5.885 26.698 ( -4.341 -0.849 2.089) 4.892 26.886 ( -0.791 -3.587 -2.950) 4.711 28.163 ( 0.546 1.864 6.379) 6.668 28.697 ( -7.484 8.238 -7.869) 13.631 30.895 ( 8.092 1.540 4.402) 9.340 31.768 ( 16.394 -1.171 -22.572) 27.921 33.465 ( -5.497 -1.441 6.919) 8.954 33.571 ( -1.436 -1.684 6.936) 7.281 ======================= Grid point 277 (92/144) ======================= q-point: (-0.55 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -1.376 4.577 10.321) 11.374 2.809 ( -6.917 3.199 3.736) 8.488 3.192 ( 5.824 18.098 7.205) 20.332 3.620 ( -1.739 4.098 11.816) 12.627 4.153 ( -12.069 -2.619 -12.187) 17.350 4.608 ( 9.614 3.532 -4.629) 11.240 5.050 ( 0.192 5.895 -3.775) 7.003 5.122 ( 10.198 -7.059 0.224) 12.405 5.547 ( -12.157 2.380 2.087) 12.563 6.239 ( -8.906 2.297 -11.253) 14.533 7.142 ( 0.904 0.412 5.643) 5.730 7.263 ( -6.991 5.639 12.262) 15.200 7.693 ( -2.253 -0.402 -11.504) 11.730 7.917 ( -4.664 -3.077 -8.793) 10.418 8.435 ( -7.740 -2.614 0.816) 8.211 8.479 ( -9.880 -6.994 -1.027) 12.148 9.877 ( -4.479 -8.591 11.245) 14.842 10.521 ( 0.120 -10.983 -7.763) 13.450 12.741 ( 8.288 -1.202 7.331) 11.130 13.175 ( 7.105 11.607 -4.456) 14.320 13.751 ( -7.249 -1.173 7.543) 10.527 14.283 ( -4.320 1.160 -7.176) 8.456 15.307 ( -3.923 -0.844 1.570) 4.309 15.362 ( 0.247 0.502 0.565) 0.795 15.529 ( 2.669 1.282 3.452) 4.548 15.914 ( 1.854 0.580 -8.318) 8.542 18.693 ( 1.670 1.907 7.597) 8.009 19.059 ( 0.874 -5.299 -3.233) 6.268 26.648 ( -3.036 -1.087 2.801) 4.271 26.911 ( -2.579 -5.267 -4.413) 7.339 28.098 ( -4.052 3.212 5.175) 7.315 28.458 ( -10.365 6.809 -4.374) 13.150 30.993 ( 7.654 5.687 6.483) 11.531 31.997 ( 12.636 4.769 -23.469) 27.077 33.424 ( -2.718 -4.066 7.807) 9.212 33.600 ( 1.491 -3.073 4.433) 5.597 ======================= Grid point 278 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -3.439 3.219 4.610) 6.591 2.611 ( -9.159 8.999 5.259) 13.875 3.029 ( 0.590 19.592 5.671) 20.405 3.449 ( -11.325 9.810 -3.254) 15.332 3.839 ( -19.959 -1.481 5.381) 20.724 4.795 ( 10.437 7.138 -11.590) 17.152 5.000 ( 5.655 4.446 1.820) 7.421 5.188 ( -16.568 0.901 11.842) 20.385 5.517 ( 15.615 -5.024 -6.219) 17.543 5.960 ( -16.728 5.012 -9.559) 19.908 7.044 ( -14.481 3.509 11.251) 18.671 7.122 ( -3.460 0.817 3.627) 5.079 7.670 ( -1.554 -2.544 -6.533) 7.181 7.927 ( -2.852 -10.163 -11.456) 15.577 8.309 ( -8.235 -4.805 0.652) 9.557 8.437 ( -4.000 -2.516 -3.098) 5.650 9.980 ( 0.651 -15.146 13.293) 20.163 10.687 ( 3.501 -12.688 -7.506) 15.152 12.903 ( 8.708 -1.459 3.617) 9.541 13.146 ( 7.051 15.017 -2.921) 16.845 13.635 ( -8.435 -2.207 7.727) 11.650 14.190 ( -4.915 1.056 -7.850) 9.322 15.227 ( -6.043 -0.696 2.268) 6.492 15.358 ( 0.335 1.171 -0.879) 1.502 15.557 ( 2.708 1.936 3.017) 4.493 15.906 ( -0.593 2.227 -8.179) 8.498 18.719 ( 2.724 -0.019 9.427) 9.812 19.140 ( 1.929 -4.627 -3.332) 6.019 26.604 ( -3.722 -0.360 3.312) 4.995 26.901 ( -6.587 -6.123 -4.764) 10.177 27.982 ( -3.532 4.676 3.264) 6.708 28.197 ( -12.312 4.623 -2.362) 13.362 31.016 ( 5.568 10.562 7.713) 14.215 32.088 ( 8.819 11.277 -24.312) 28.214 33.471 ( 0.944 -7.033 8.201) 10.845 33.685 ( 3.299 -4.561 3.016) 6.386 ======================= Grid point 279 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -14.451 8.882 -1.382) 17.019 2.336 ( -0.475 10.781 0.538) 10.805 2.734 ( -14.510 14.149 5.322) 20.954 3.091 ( -12.694 4.637 -1.687) 13.619 3.602 ( -6.195 8.805 11.312) 15.616 4.699 ( -3.175 14.804 -11.978) 19.306 4.829 ( -15.578 6.975 7.256) 18.547 5.181 ( 11.315 -0.728 7.513) 13.602 5.617 ( -15.390 4.231 -9.289) 18.468 5.875 ( 15.394 -6.059 -0.671) 16.557 6.689 ( -21.506 1.963 6.267) 22.486 7.025 ( -7.924 -2.122 1.176) 8.287 7.688 ( 0.968 -1.577 6.135) 6.408 7.978 ( -5.135 -4.081 -12.068) 13.736 8.314 ( -0.330 -11.410 -6.673) 13.222 8.413 ( -1.797 -3.289 -3.381) 5.048 10.230 ( 4.557 -20.545 13.130) 24.804 10.921 ( 5.646 -14.586 -6.838) 17.070 13.045 ( 5.691 5.860 -0.352) 8.176 13.091 ( 7.579 9.599 -1.567) 12.330 13.518 ( -8.435 -2.832 7.929) 11.918 14.093 ( -4.780 1.520 -8.220) 9.629 15.131 ( -5.791 -0.882 3.012) 6.587 15.350 ( 0.771 1.887 -2.509) 3.232 15.576 ( 2.437 2.450 2.223) 4.109 15.854 ( -1.503 3.384 -7.585) 8.441 18.788 ( 3.587 -2.753 11.604) 12.454 19.225 ( 2.418 -3.604 -2.624) 5.071 26.508 ( -7.431 0.975 3.696) 8.356 26.820 ( -9.914 -4.689 -4.531) 11.867 27.881 ( -1.253 7.666 0.721) 7.801 27.954 ( -10.407 1.659 -1.166) 10.603 30.944 ( 2.792 14.494 8.299) 16.933 32.048 ( 5.292 16.900 -25.253) 30.843 33.607 ( 3.656 -9.299 7.544) 12.520 33.811 ( 4.100 -6.484 2.840) 8.180 ======================= Grid point 280 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -12.534 15.423 4.277) 20.329 2.085 ( -15.592 16.691 10.692) 25.219 2.467 ( -2.816 -0.336 -7.190) 7.729 2.963 ( -1.485 -0.029 -1.799) 2.332 3.372 ( -2.812 17.812 15.656) 23.881 4.267 ( -18.359 17.434 11.641) 27.866 4.723 ( 8.200 9.130 -14.643) 19.105 5.245 ( -8.562 1.509 -11.735) 14.605 5.435 ( 1.680 -0.558 8.692) 8.871 6.071 ( -1.880 -1.367 7.884) 8.219 6.413 ( -4.754 -1.938 -6.063) 7.944 6.909 ( -9.237 -3.066 -3.720) 10.420 7.730 ( 2.576 0.399 11.395) 11.689 7.859 ( -6.450 2.592 -1.105) 7.039 8.435 ( 0.821 -4.711 -4.913) 6.856 8.508 ( 0.894 -14.096 -11.351) 18.120 10.584 ( 5.707 -25.610 11.978) 28.843 11.196 ( 5.330 -16.553 -5.537) 18.250 12.945 ( 2.682 16.379 1.178) 16.639 13.197 ( 5.289 -0.739 -5.832) 7.908 13.418 ( -6.714 -2.778 7.113) 10.168 13.995 ( -3.643 2.882 -8.342) 9.548 15.064 ( -3.234 -1.345 4.062) 5.363 15.342 ( 0.904 2.321 -3.377) 4.196 15.584 ( 1.762 2.640 1.272) 3.420 15.789 ( -0.895 4.090 -6.898) 8.069 18.902 ( 3.519 -6.515 13.399) 15.309 19.297 ( 1.933 -2.159 -1.234) 3.149 26.345 ( -8.357 2.105 4.024) 9.511 26.680 ( -9.405 -0.516 -4.855) 10.597 27.725 ( -4.774 6.488 1.116) 8.132 27.849 ( -0.791 4.928 -2.699) 5.675 30.795 ( 0.545 16.130 8.297) 18.147 31.894 ( 2.347 21.553 -26.649) 34.355 33.779 ( 3.066 -9.492 6.686) 12.008 33.974 ( 3.942 -10.294 3.237) 11.488 ======================= Grid point 281 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 4.078 16.031) 16.541 1.647 ( 0.000 23.257 15.509) 27.954 2.464 ( -0.000 -1.060 -8.198) 8.267 2.976 ( 0.000 3.492 10.542) 11.105 3.137 ( 0.000 13.366 5.698) 14.530 3.867 ( 0.000 18.676 12.007) 22.203 4.749 ( 0.000 7.983 -13.464) 15.653 5.073 ( 0.000 4.871 -22.832) 23.346 5.519 ( -0.000 -7.546 14.925) 16.724 5.996 ( 0.000 0.647 11.009) 11.028 6.465 ( -0.000 -3.657 -12.570) 13.091 6.816 ( 0.000 0.257 -9.268) 9.272 7.719 ( 0.000 7.498 9.394) 12.019 7.795 ( -0.000 -3.192 14.559) 14.905 8.505 ( -0.000 -5.415 -3.811) 6.621 8.640 ( -0.000 -7.593 -14.965) 16.781 10.959 ( -0.000 -29.240 11.104) 31.278 11.441 ( -0.000 -16.796 -3.398) 17.137 12.794 ( 0.000 13.957 3.469) 14.382 13.258 ( -0.000 -0.644 -10.480) 10.500 13.376 ( -0.000 -2.403 6.484) 6.915 13.919 ( 0.000 4.077 -7.961) 8.944 15.055 ( -0.000 -1.748 4.284) 4.627 15.323 ( 0.000 2.452 -3.177) 4.013 15.570 ( 0.000 2.883 0.582) 2.941 15.732 ( 0.000 5.105 -6.527) 8.286 19.036 ( -0.000 -10.287 13.397) 16.891 19.330 ( -0.000 -0.204 0.309) 0.370 26.234 ( 0.000 2.521 4.124) 4.834 26.563 ( 0.000 2.722 -4.738) 5.464 27.608 ( 0.000 7.209 1.270) 7.320 27.769 ( 0.000 7.956 -4.026) 8.917 30.619 ( 0.000 14.745 7.547) 16.564 31.647 ( 0.000 25.266 -27.493) 37.340 33.903 ( -0.000 -7.635 7.119) 10.439 34.159 ( -0.000 -14.672 2.850) 14.946 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 6.290 -0.000 6.880) 9.322 3.000 ( -7.380 0.000 -0.207) 7.382 3.356 ( 14.828 -0.000 7.330) 16.541 3.502 ( 15.142 -0.000 10.095) 18.198 4.242 ( -6.416 0.000 -6.327) 9.011 4.611 ( 4.132 -0.000 -5.327) 6.742 4.920 ( -0.577 0.000 4.655) 4.691 5.149 ( 1.004 -0.000 0.024) 1.005 5.734 ( -5.326 0.000 2.332) 5.814 6.200 ( 9.585 -0.000 -8.571) 12.859 7.207 ( -6.048 0.000 3.847) 7.168 7.582 ( -10.538 0.000 6.503) 12.383 7.662 ( 5.105 -0.000 -7.539) 9.105 8.075 ( -3.406 0.000 -9.688) 10.269 8.344 ( -7.655 0.000 2.293) 7.991 8.576 ( -10.016 0.000 -3.691) 10.675 9.928 ( -13.884 0.000 5.417) 14.904 10.327 ( -4.194 0.000 -6.948) 8.116 12.595 ( 6.980 -0.000 12.069) 13.942 13.259 ( 6.531 -0.000 -6.263) 9.049 13.848 ( -5.310 0.000 7.928) 9.542 14.373 ( -2.788 0.000 -6.641) 7.203 15.322 ( -0.478 0.000 1.061) 1.163 15.360 ( 0.602 -0.000 -0.097) 0.609 15.506 ( 2.506 -0.000 3.620) 4.403 15.836 ( 6.236 -0.000 -6.944) 9.334 18.758 ( 1.078 -0.000 4.118) 4.257 18.910 ( -1.312 0.000 -0.883) 1.582 26.689 ( -4.448 0.000 1.555) 4.712 26.842 ( -1.114 0.000 -2.455) 2.696 28.186 ( 0.977 -0.000 6.783) 6.853 28.800 ( -9.764 0.000 -10.021) 13.991 30.916 ( 10.114 -0.000 4.560) 11.095 31.749 ( 19.750 -0.000 -20.810) 28.690 33.448 ( -6.658 0.000 6.694) 9.441 33.550 ( -1.935 0.000 6.875) 7.142 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 1.293 2.069 8.562) 8.903 2.844 ( -9.459 0.743 6.644) 11.583 3.532 ( 10.137 9.643 3.458) 14.412 3.651 ( 3.772 -0.912 14.297) 14.815 4.129 ( -12.477 -0.188 -11.850) 17.209 4.699 ( 10.015 3.810 -4.901) 11.783 4.968 ( 6.737 -5.303 2.990) 9.080 5.177 ( 3.200 4.073 -0.280) 5.187 5.604 ( -8.445 1.766 -1.554) 8.767 6.210 ( -10.246 -2.636 -13.374) 17.052 7.146 ( 0.041 0.179 8.031) 8.033 7.420 ( -6.043 5.301 8.562) 11.744 7.693 ( -2.999 -0.572 -9.823) 10.286 7.939 ( -8.327 5.778 -7.887) 12.843 8.265 ( -7.911 -10.274 0.167) 12.968 8.384 ( -11.016 -1.682 -1.513) 11.246 9.739 ( -9.849 -3.150 9.784) 14.235 10.325 ( 0.083 -5.025 -8.577) 9.941 12.732 ( 8.922 0.012 11.492) 14.548 13.363 ( 8.308 4.436 -6.036) 11.186 13.733 ( -7.970 -0.373 7.854) 11.195 14.305 ( -4.449 0.601 -7.978) 9.155 15.292 ( -3.541 -0.376 1.600) 3.904 15.372 ( 0.889 0.260 -0.691) 1.156 15.547 ( 2.587 0.366 4.242) 4.982 15.916 ( 2.789 -0.129 -6.896) 7.440 18.760 ( 1.726 3.524 3.993) 5.598 18.931 ( 0.099 -5.084 -1.311) 5.251 26.637 ( -1.850 -0.030 1.693) 2.508 26.817 ( -3.462 -2.460 -3.236) 5.339 28.150 ( -3.693 1.239 5.369) 6.633 28.582 ( -12.978 3.241 -6.480) 14.863 31.095 ( 11.877 2.701 7.131) 14.114 32.061 ( 16.947 1.175 -20.728) 26.800 33.355 ( -5.005 -1.703 7.311) 9.023 33.546 ( 0.551 -1.350 3.805) 4.075 ======================= Grid point 288 (99/144) ======================= q-point: (-0.55 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -3.957 5.500 6.637) 9.484 2.688 ( -8.178 0.109 9.172) 12.289 3.462 ( -2.532 14.943 3.400) 15.533 3.658 ( -8.483 7.560 1.405) 11.450 3.819 ( -10.413 -0.485 3.416) 10.970 4.894 ( 15.047 2.725 -2.672) 15.524 5.118 ( 1.460 4.184 4.626) 6.406 5.220 ( 4.532 1.602 -1.531) 5.045 5.454 ( 0.010 0.580 -9.923) 9.940 5.982 ( -17.927 -2.967 -10.028) 20.754 7.129 ( -6.538 1.350 9.235) 11.395 7.192 ( -11.600 6.970 1.600) 13.627 7.626 ( -6.673 -7.450 -1.054) 10.056 7.760 ( -3.638 3.259 -9.110) 10.337 8.225 ( -7.110 -4.153 -1.036) 8.299 8.319 ( -3.528 -7.106 -4.310) 9.029 9.678 ( -5.841 -10.277 13.612) 18.028 10.429 ( 2.453 -8.970 -9.496) 13.291 12.890 ( 9.403 0.006 9.484) 13.355 13.429 ( 8.171 9.196 -5.292) 13.392 13.597 ( -8.644 -1.115 8.071) 11.879 14.216 ( -4.657 1.016 -9.060) 10.238 15.212 ( -6.063 -0.517 3.126) 6.841 15.383 ( 1.111 0.888 -1.745) 2.251 15.585 ( 2.536 0.676 3.388) 4.286 15.934 ( -0.324 0.452 -6.910) 6.932 18.752 ( 1.974 2.970 5.458) 6.520 19.010 ( 1.139 -6.389 -2.138) 6.833 26.611 ( -1.386 0.975 1.663) 2.374 26.777 ( -5.875 -4.608 -2.831) 7.985 28.058 ( -3.978 2.266 3.121) 5.541 28.306 ( -14.063 3.977 -3.569) 15.044 31.233 ( 10.654 7.811 8.730) 15.835 32.281 ( 12.975 5.705 -21.120) 25.435 33.328 ( -2.221 -5.060 8.033) 9.750 33.595 ( 2.113 -3.079 1.572) 4.052 ======================= Grid point 289 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -10.155 4.179 1.567) 11.092 2.542 ( -7.523 2.504 2.177) 8.222 3.028 ( -25.275 9.519 10.626) 29.023 3.367 ( -3.097 17.774 -3.162) 18.317 3.811 ( 6.171 8.568 8.425) 13.508 4.938 ( -8.188 3.568 7.256) 11.508 5.037 ( -3.404 14.530 -13.474) 20.106 5.197 ( 11.039 2.095 2.813) 11.583 5.616 ( -5.959 -5.503 -4.311) 9.185 5.786 ( 5.110 -1.032 -3.751) 6.422 6.766 ( -22.413 4.387 3.790) 23.151 7.012 ( -10.472 0.107 1.146) 10.535 7.658 ( 1.523 -3.584 4.986) 6.327 7.775 ( 1.378 -7.340 -9.478) 12.066 8.163 ( -4.241 -2.743 -5.083) 7.166 8.332 ( -3.738 -5.179 -5.844) 8.657 9.777 ( -1.752 -18.270 15.410) 23.965 10.603 ( 3.566 -12.526 -9.629) 16.197 13.043 ( 8.123 -0.196 6.203) 10.222 13.425 ( 4.808 11.199 -2.500) 12.441 13.474 ( -6.028 0.628 6.903) 9.186 14.129 ( -3.908 1.444 -9.716) 10.572 15.112 ( -6.134 -0.772 4.673) 7.750 15.390 ( 1.327 1.555 -3.115) 3.726 15.615 ( 2.022 1.053 2.194) 3.164 15.903 ( -1.950 1.146 -6.732) 7.102 18.765 ( 2.118 0.830 7.686) 8.016 19.107 ( 1.503 -6.451 -2.538) 7.093 26.536 ( -6.152 1.452 2.381) 6.755 26.733 ( -4.340 -3.155 -2.773) 6.039 27.980 ( -2.783 2.319 0.425) 3.648 28.037 ( -10.868 4.000 -1.061) 11.630 31.268 ( 7.246 13.267 9.634) 17.926 32.364 ( 7.939 11.138 -21.303) 25.316 33.398 ( 0.997 -8.760 7.478) 11.561 33.682 ( 2.595 -4.829 0.559) 5.510 ======================= Grid point 290 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -22.445 3.194 2.140) 22.772 2.432 ( -1.084 1.994 -7.693) 8.020 2.600 ( -9.302 14.974 13.656) 22.298 3.116 ( -2.629 16.491 -4.304) 17.245 3.776 ( 5.598 15.860 12.963) 21.235 4.627 ( -12.869 13.408 10.124) 21.163 4.929 ( 5.165 9.585 -14.704) 18.297 5.247 ( -6.632 -0.746 -6.728) 9.477 5.487 ( -0.166 3.927 5.757) 6.971 6.022 ( 8.756 -3.336 3.776) 10.103 6.393 ( -14.458 0.644 0.335) 14.476 6.856 ( -7.941 -1.909 -1.282) 8.268 7.727 ( 3.701 0.096 5.852) 6.925 7.857 ( -3.015 -5.086 -6.612) 8.870 8.194 ( 1.051 -9.679 -8.796) 13.121 8.324 ( -3.164 -5.222 -5.923) 8.507 10.015 ( 0.815 -24.257 15.029) 28.547 10.823 ( 3.128 -15.635 -8.920) 18.271 13.159 ( 4.920 0.153 2.169) 5.379 13.355 ( 3.578 14.156 -2.744) 14.857 13.369 ( -5.105 0.088 8.314) 9.757 14.054 ( -2.417 2.181 -9.907) 10.428 15.035 ( -3.790 -1.150 5.888) 7.096 15.392 ( 1.186 2.036 -4.141) 4.764 15.629 ( 1.206 1.381 1.275) 2.233 15.853 ( -1.642 1.750 -6.442) 6.874 18.805 ( 1.715 -2.019 10.222) 10.559 19.201 ( 1.194 -5.953 -2.330) 6.504 26.393 ( -7.118 1.987 3.720) 8.274 26.687 ( -2.902 0.805 -4.083) 5.073 27.821 ( -7.048 2.783 1.575) 7.739 27.952 ( 0.523 3.545 -2.072) 4.139 31.182 ( 3.109 17.202 10.001) 20.139 32.308 ( 3.446 15.326 -21.926) 26.973 33.541 ( 2.004 -10.899 6.110) 12.655 33.787 ( 1.966 -6.661 0.682) 6.979 ======================= Grid point 291 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 3.151 8.781) 9.329 2.278 ( 0.000 27.169 8.846) 28.573 2.438 ( -0.000 -1.236 -10.597) 10.669 2.960 ( 0.000 5.366 -6.503) 8.431 3.623 ( 0.000 21.132 20.204) 29.236 4.302 ( 0.000 18.710 10.824) 21.615 4.924 ( 0.000 7.814 -13.895) 15.942 5.133 ( 0.000 0.156 -13.568) 13.569 5.470 ( 0.000 2.207 10.795) 11.018 6.043 ( 0.000 3.533 11.467) 11.998 6.351 ( -0.000 -6.317 -8.561) 10.639 6.804 ( -0.000 -1.476 -4.595) 4.826 7.759 ( 0.000 0.333 5.605) 5.615 7.830 ( 0.000 1.454 1.410) 2.026 8.358 ( -0.000 -14.415 -10.130) 17.619 8.365 ( -0.000 -6.715 -5.642) 8.771 10.322 ( -0.000 -27.228 13.516) 30.398 11.044 ( -0.000 -17.584 -7.392) 19.074 13.148 ( 0.000 12.917 -0.217) 12.919 13.260 ( 0.000 4.134 -4.389) 6.029 13.331 ( -0.000 -1.570 8.730) 8.870 14.001 ( 0.000 3.102 -9.595) 10.084 15.017 ( -0.000 -1.537 6.046) 6.238 15.378 ( 0.000 2.354 -4.197) 4.812 15.623 ( 0.000 1.752 0.919) 1.979 15.815 ( 0.000 2.459 -6.435) 6.889 18.863 ( -0.000 -5.025 12.401) 13.381 19.274 ( -0.000 -4.625 -1.723) 4.935 26.295 ( 0.000 2.753 4.230) 5.047 26.630 ( 0.000 3.033 -4.779) 5.660 27.727 ( 0.000 3.421 2.366) 4.160 27.912 ( 0.000 4.824 -2.890) 5.623 31.002 ( 0.000 18.325 9.678) 20.724 32.144 ( 0.000 18.674 -24.085) 30.477 33.688 ( -0.000 -11.088 5.752) 12.491 33.894 ( -0.000 -8.910 1.550) 9.044 ======================= Grid point 298 (103/144) ======================= q-point: ( 0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -1.865 0.000 4.776) 5.127 2.675 ( -10.558 0.000 11.038) 15.275 3.634 ( -7.034 0.000 16.261) 17.717 3.770 ( -21.551 0.000 -0.923) 21.571 3.791 ( 10.455 -0.000 -4.273) 11.294 4.932 ( 11.967 -0.000 2.070) 12.144 5.145 ( 15.439 -0.000 -0.642) 15.452 5.255 ( 3.071 -0.000 -0.008) 3.071 5.496 ( -4.735 0.000 -12.994) 13.830 5.912 ( -19.780 0.000 -11.076) 22.670 7.142 ( -4.191 0.000 9.075) 9.996 7.376 ( -1.459 0.000 5.954) 6.130 7.405 ( -25.962 0.000 -3.652) 26.218 7.964 ( 2.225 -0.000 -10.781) 11.008 8.044 ( -6.604 0.000 -0.106) 6.605 8.242 ( -5.444 0.000 -4.153) 6.848 9.558 ( -8.576 0.000 13.657) 16.126 10.322 ( 2.413 -0.000 -10.407) 10.683 12.892 ( 9.473 -0.000 11.755) 15.097 13.538 ( 8.778 -0.000 -6.242) 10.771 13.583 ( -8.956 0.000 8.428) 12.298 14.229 ( -4.645 0.000 -9.462) 10.541 15.206 ( -6.043 0.000 3.407) 6.937 15.394 ( 1.364 -0.000 -2.200) 2.589 15.592 ( 2.442 -0.000 3.596) 4.347 15.937 ( -0.158 0.000 -6.298) 6.300 18.826 ( 2.428 -0.000 2.471) 3.464 18.896 ( 0.223 -0.000 -0.313) 0.385 26.633 ( 1.022 -0.000 0.556) 1.163 26.713 ( -6.938 0.000 -1.659) 7.134 28.085 ( -4.233 0.000 3.112) 5.254 28.353 ( -15.234 0.000 -4.237) 15.812 31.328 ( 12.670 -0.000 8.816) 15.435 32.345 ( 14.952 -0.000 -19.596) 24.649 33.267 ( -3.816 0.000 7.988) 8.852 33.558 ( 1.720 -0.000 1.043) 2.011 ======================= Grid point 300 (104/144) ======================= q-point: (-0.55 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -13.974 4.372 3.648) 15.090 2.528 ( -7.641 -2.470 -0.473) 8.044 3.186 ( -25.602 4.193 22.084) 34.070 3.676 ( 1.758 7.406 5.684) 9.500 3.941 ( 8.792 2.519 -4.523) 10.203 5.005 ( -3.048 2.013 9.316) 10.007 5.268 ( 1.527 5.545 -0.476) 5.771 5.340 ( 3.553 7.004 -12.759) 14.982 5.483 ( 3.623 -1.850 -7.988) 8.964 5.709 ( -0.928 -6.686 -7.540) 10.120 6.877 ( -25.622 5.205 2.752) 26.289 6.997 ( -14.143 -1.917 3.970) 14.814 7.454 ( 2.030 -7.381 6.360) 9.953 7.870 ( 1.839 9.810 -6.614) 11.974 8.100 ( -1.347 -5.843 -6.735) 9.018 8.183 ( -4.034 -4.981 -7.109) 9.572 9.473 ( -5.661 -7.341 16.580) 18.996 10.397 ( 2.807 -5.008 -12.019) 13.320 13.044 ( 8.055 0.080 10.710) 13.401 13.441 ( -7.700 -0.469 9.399) 12.159 13.649 ( 7.243 4.980 -6.018) 10.652 14.153 ( -3.793 0.585 -10.419) 11.103 15.099 ( -6.267 -0.309 5.601) 8.410 15.416 ( 1.544 0.633 -3.655) 4.018 15.628 ( 1.875 0.221 2.178) 2.882 15.916 ( -1.984 0.187 -5.938) 6.263 18.824 ( 1.624 4.132 3.292) 5.527 18.956 ( 1.007 -6.344 -0.727) 6.465 26.569 ( -7.647 1.134 1.280) 7.836 26.676 ( 1.157 -1.634 -1.545) 2.529 28.020 ( -2.667 1.105 0.334) 2.906 28.093 ( -13.417 1.074 -1.631) 13.558 31.495 ( 9.991 5.745 9.684) 15.053 32.544 ( 10.619 4.436 -19.248) 22.426 33.240 ( -1.731 -4.294 8.500) 9.679 33.602 ( 2.010 -1.945 -0.742) 2.894 ======================= Grid point 301 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -23.851 1.892 1.033) 23.948 2.436 ( -4.321 -0.480 -9.937) 10.846 2.845 ( -7.188 7.922 29.756) 31.620 3.560 ( 0.684 17.295 0.722) 17.324 4.028 ( 6.469 5.854 0.440) 8.736 4.859 ( -6.205 7.412 8.122) 12.625 5.120 ( -5.177 3.715 -5.286) 8.279 5.270 ( -3.627 5.743 -14.357) 15.883 5.577 ( 6.940 4.100 3.811) 8.916 5.926 ( 11.784 -5.500 -2.585) 13.259 6.432 ( -20.021 2.352 4.722) 20.704 6.810 ( -9.578 -2.236 1.709) 9.983 7.587 ( 1.825 -9.949 4.189) 10.948 7.835 ( 2.549 4.718 -5.854) 7.939 8.099 ( -0.483 -1.285 -9.211) 9.313 8.196 ( -3.917 -6.243 -8.638) 11.355 9.540 ( -2.114 -16.130 17.702) 24.042 10.525 ( 2.099 -9.953 -12.433) 16.064 13.156 ( 4.870 -0.131 8.417) 9.725 13.340 ( -4.745 -0.758 10.267) 11.336 13.663 ( 4.129 9.966 -5.530) 12.123 14.091 ( -2.199 1.107 -10.783) 11.060 15.014 ( -3.955 -0.647 7.187) 8.229 15.429 ( 1.213 1.212 -4.771) 5.070 15.649 ( 1.013 0.487 1.049) 1.537 15.876 ( -1.819 0.497 -5.685) 5.989 18.809 ( 1.039 2.276 5.480) 6.024 19.049 ( 0.776 -7.071 -1.574) 7.286 26.430 ( -6.312 1.216 3.554) 7.345 26.705 ( 1.032 0.663 -3.765) 3.959 27.872 ( -8.030 1.870 1.282) 8.344 27.998 ( -0.622 0.724 -2.105) 2.312 31.525 ( 5.081 11.949 10.205) 16.515 32.593 ( 4.705 9.790 -18.421) 21.385 33.309 ( 0.443 -9.064 7.063) 11.500 33.666 ( 1.393 -3.933 -1.288) 4.367 ======================= Grid point 302 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 2.085 4.506) 4.965 2.410 ( -0.000 -1.148 -12.791) 12.842 2.687 ( 0.000 10.877 23.263) 25.681 3.328 ( 0.000 22.567 -2.913) 22.754 3.998 ( 0.000 11.057 7.368) 13.287 4.672 ( 0.000 13.297 8.452) 15.756 5.094 ( -0.000 -2.948 -3.804) 4.813 5.122 ( 0.000 10.055 -16.863) 19.633 5.575 ( 0.000 6.229 6.913) 9.305 6.140 ( 0.000 4.540 11.309) 12.186 6.190 ( -0.000 -7.771 -5.996) 9.815 6.753 ( -0.000 -2.744 -0.008) 2.744 7.725 ( -0.000 -10.394 0.951) 10.437 7.809 ( 0.000 3.730 -3.006) 4.790 8.138 ( -0.000 -3.700 -11.117) 11.716 8.213 ( -0.000 -6.453 -7.316) 9.755 9.748 ( -0.000 -22.528 16.960) 28.198 10.681 ( -0.000 -13.809 -11.217) 17.791 13.204 ( -0.000 -0.364 5.168) 5.181 13.305 ( -0.000 -0.792 10.328) 10.358 13.563 ( 0.000 13.926 -4.808) 14.733 14.056 ( 0.000 1.722 -10.653) 10.792 14.988 ( -0.000 -0.986 7.506) 7.570 15.425 ( 0.000 1.675 -5.027) 5.299 15.651 ( 0.000 0.799 0.746) 1.093 15.852 ( 0.000 0.944 -5.764) 5.841 18.807 ( -0.000 -0.049 7.976) 7.976 19.136 ( -0.000 -7.042 -2.067) 7.340 26.352 ( 0.000 2.105 4.340) 4.823 26.693 ( 0.000 2.369 -4.840) 5.388 27.782 ( 0.000 1.811 2.620) 3.185 27.983 ( 0.000 1.548 -2.901) 3.288 31.405 ( 0.000 16.235 10.444) 19.304 32.500 ( 0.000 13.054 -18.999) 23.052 33.432 ( -0.000 -11.001 5.671) 12.377 33.733 ( -0.000 -5.602 -0.731) 5.650 ======================= Grid point 311 (107/144) ======================= q-point: ( 0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -24.956 0.000 0.618) 24.963 2.428 ( -4.216 0.000 -10.742) 11.540 2.945 ( -6.923 0.000 37.329) 37.965 3.772 ( 3.072 -0.000 8.364) 8.910 4.075 ( 5.208 -0.000 -9.825) 11.120 4.951 ( -3.827 0.000 7.202) 8.156 5.130 ( -12.229 0.000 0.814) 12.257 5.383 ( 0.798 -0.000 -14.466) 14.488 5.734 ( 14.472 -0.000 -9.903) 17.536 5.744 ( 7.395 -0.000 -1.171) 7.487 6.471 ( -22.232 0.000 7.579) 23.489 6.775 ( -9.447 0.000 2.554) 9.786 7.465 ( 2.420 -0.000 7.404) 7.789 7.937 ( -1.024 0.000 -6.286) 6.369 8.078 ( 2.295 -0.000 -11.611) 11.835 8.088 ( -3.073 0.000 -7.708) 8.298 9.349 ( -3.276 0.000 18.343) 18.633 10.407 ( 1.693 -0.000 -14.140) 14.241 13.155 ( 4.670 -0.000 10.905) 11.862 13.332 ( -4.509 0.000 10.675) 11.589 13.779 ( 4.304 -0.000 -6.292) 7.623 14.103 ( -2.250 0.000 -11.026) 11.253 15.007 ( -3.963 0.000 7.638) 8.605 15.444 ( 1.169 -0.000 -5.029) 5.163 15.654 ( 1.021 -0.000 0.940) 1.388 15.881 ( -1.832 0.000 -5.325) 5.631 18.894 ( 1.200 -0.000 1.923) 2.266 18.909 ( 0.312 -0.000 0.449) 0.547 26.444 ( -6.059 0.000 3.494) 6.995 26.713 ( 2.430 -0.000 -3.664) 4.396 27.897 ( -8.882 0.000 0.855) 8.923 28.002 ( -0.755 0.000 -1.925) 2.068 31.669 ( 5.838 -0.000 9.933) 11.521 32.719 ( 6.078 -0.000 -18.824) 19.781 33.186 ( -1.059 0.000 9.471) 9.530 33.619 ( 1.239 -0.000 -2.090) 2.429 ======================= Grid point 313 (108/144) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 0.768 2.567) 2.679 2.390 ( -0.000 -0.505 -14.182) 14.191 2.869 ( 0.000 4.785 37.094) 37.401 3.738 ( 0.000 10.905 5.305) 12.127 4.119 ( 0.000 0.842 -6.884) 6.936 4.884 ( 0.000 5.277 6.436) 8.323 5.030 ( -0.000 -2.161 1.816) 2.823 5.347 ( 0.000 7.320 -17.776) 19.224 5.734 ( 0.000 8.282 0.780) 8.319 5.991 ( -0.000 -9.993 -7.923) 12.753 6.222 ( 0.000 2.215 12.208) 12.407 6.699 ( -0.000 -1.559 1.676) 2.289 7.516 ( -0.000 -5.393 6.311) 8.301 7.903 ( 0.000 3.760 -7.130) 8.060 8.085 ( -0.000 -4.357 -8.538) 9.585 8.106 ( -0.000 -0.533 -11.540) 11.552 9.373 ( -0.000 -9.104 18.736) 20.831 10.453 ( -0.000 -5.538 -14.366) 15.397 13.197 ( -0.000 -0.176 10.031) 10.033 13.293 ( -0.000 -0.230 11.134) 11.137 13.787 ( 0.000 5.267 -6.151) 8.097 14.081 ( 0.000 0.517 -11.106) 11.118 14.973 ( -0.000 -0.327 8.287) 8.293 15.451 ( 0.000 0.604 -5.492) 5.526 15.662 ( 0.000 0.227 0.493) 0.543 15.863 ( 0.000 0.185 -5.177) 5.181 18.853 ( 0.000 3.993 3.241) 5.143 18.977 ( -0.000 -6.617 -0.385) 6.628 26.385 ( 0.000 0.785 4.412) 4.481 26.731 ( 0.000 0.895 -4.887) 4.969 27.813 ( 0.000 0.802 2.205) 2.346 27.996 ( -0.000 -0.002 -2.767) 2.767 31.680 ( 0.000 6.896 10.104) 12.233 32.731 ( 0.000 6.660 -17.883) 19.082 33.218 ( -0.000 -6.660 8.296) 10.639 33.643 ( -0.000 -2.171 -2.250) 3.126 ======================= Grid point 375 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 0.000 20.129) 20.129 2.122 ( 0.000 0.000 31.890) 31.890 2.333 ( 0.000 0.000 -10.470) 10.470 2.757 ( 0.000 0.000 -28.041) 28.041 3.281 ( 0.000 0.000 40.760) 40.760 3.703 ( 0.000 0.000 21.291) 21.291 4.019 ( 0.000 0.000 -28.918) 28.918 4.250 ( 0.000 0.000 -29.780) 29.780 6.239 ( 0.000 0.000 13.121) 13.121 6.252 ( 0.000 0.000 2.060) 2.060 6.328 ( 0.000 0.000 -5.123) 5.123 6.525 ( 0.000 0.000 -13.744) 13.744 7.781 ( 0.000 0.000 15.671) 15.671 8.097 ( 0.000 0.000 -14.399) 14.399 8.298 ( 0.000 0.000 15.075) 15.075 8.538 ( 0.000 0.000 -7.824) 7.824 11.951 ( 0.000 0.000 4.503) 4.503 12.034 ( 0.000 0.000 -3.451) 3.451 12.776 ( 0.000 0.000 10.476) 10.476 13.000 ( 0.000 0.000 -10.592) 10.592 13.549 ( 0.000 0.000 4.842) 4.842 13.664 ( 0.000 0.000 -5.832) 5.832 15.158 ( 0.000 0.000 2.422) 2.422 15.208 ( 0.000 0.000 -2.275) 2.275 15.440 ( 0.000 0.000 0.536) 0.536 15.455 ( 0.000 0.000 -0.906) 0.906 19.333 ( 0.000 0.000 4.534) 4.534 19.425 ( 0.000 0.000 -4.112) 4.112 26.269 ( 0.000 0.000 5.288) 5.288 26.385 ( 0.000 0.000 -5.597) 5.597 27.328 ( 0.000 0.000 0.407) 0.407 27.337 ( 0.000 0.000 -0.489) 0.489 30.390 ( 0.000 0.000 6.665) 6.665 30.546 ( 0.000 0.000 -8.052) 8.052 34.313 ( 0.000 0.000 11.239) 11.239 34.537 ( 0.000 0.000 -9.806) 9.806 ======================= Grid point 376 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 2.146 7.878 25.499) 26.774 2.189 ( 7.610 -5.274 25.091) 26.745 2.402 ( 7.851 3.688 -10.337) 13.494 2.758 ( 2.569 2.004 -26.930) 27.127 3.314 ( 5.812 -4.603 28.190) 29.149 3.861 ( -8.006 -3.568 -23.131) 24.736 4.022 ( 24.404 -7.412 21.968) 33.662 4.571 ( 22.562 -4.285 -26.222) 34.857 6.093 ( -9.963 6.794 7.666) 14.289 6.237 ( -8.353 3.089 -4.694) 10.067 6.426 ( 20.419 -0.103 11.085) 23.234 6.749 ( 22.061 1.161 -17.894) 28.429 7.792 ( -1.883 -3.756 16.232) 16.767 8.122 ( -2.322 -5.582 -14.391) 15.609 8.277 ( -0.659 1.464 13.255) 13.352 8.513 ( -1.523 1.654 -8.508) 8.801 11.726 ( -18.423 8.936 3.244) 20.731 11.783 ( -18.924 9.174 -2.120) 21.138 12.750 ( -2.027 -0.394 11.595) 11.778 12.989 ( -1.215 -0.044 -11.081) 11.147 13.673 ( 12.177 1.797 4.798) 13.211 13.780 ( 11.288 0.095 -5.279) 12.462 15.151 ( -0.251 -0.080 2.408) 2.423 15.206 ( -0.315 -0.568 -2.641) 2.720 15.446 ( -1.416 -3.308 -0.039) 3.598 15.450 ( -2.166 -3.150 -0.350) 3.838 19.292 ( -4.801 -0.534 2.764) 5.565 19.331 ( -8.481 1.671 -0.523) 8.660 26.417 ( 15.254 0.123 7.971) 17.212 26.617 ( 22.902 2.049 -11.406) 25.667 27.379 ( 2.380 -5.017 0.707) 5.598 27.403 ( 5.127 -6.885 -1.832) 8.778 30.429 ( 1.242 -5.050 6.631) 8.427 30.591 ( -0.011 -7.987 -8.850) 11.921 34.251 ( -4.843 3.186 9.997) 11.556 34.437 ( -7.657 4.928 -7.172) 11.591 ======================= Grid point 377 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 9.037 6.832 22.778) 25.440 2.418 ( 7.692 -8.176 11.766) 16.262 2.447 ( 7.282 7.877 -6.154) 12.367 2.836 ( 5.478 -2.692 -18.483) 19.465 3.606 ( 21.456 -2.227 12.860) 25.114 3.894 ( 6.419 -5.152 -15.352) 17.419 4.584 ( 27.233 -10.537 19.844) 35.305 5.007 ( 20.933 -6.016 -18.819) 28.785 5.800 ( -13.900 8.227 11.046) 19.568 5.988 ( -15.052 4.673 -6.461) 17.034 6.864 ( 28.687 0.753 10.435) 30.535 7.154 ( 25.769 3.095 -16.264) 30.630 7.774 ( -5.041 -2.767 15.738) 16.756 8.076 ( -6.384 0.795 -8.082) 10.329 8.284 ( 1.136 -2.021 3.129) 3.894 8.463 ( -1.942 1.263 -9.786) 10.056 11.227 ( -22.082 12.230 5.695) 25.877 11.334 ( -20.555 7.883 -4.378) 22.446 12.729 ( -2.006 -1.860 11.085) 11.417 12.959 ( -2.160 0.467 -10.550) 10.779 13.838 ( 10.259 3.987 6.477) 12.771 13.966 ( 10.826 2.253 -5.632) 12.410 15.176 ( 3.182 -0.570 1.688) 3.647 15.225 ( 1.794 -1.037 -2.613) 3.335 15.451 ( -2.197 -4.185 1.179) 4.871 15.481 ( -1.394 -6.291 -1.862) 6.707 19.152 ( -9.080 1.583 4.482) 10.248 19.202 ( -6.373 -1.168 -0.738) 6.521 26.675 ( 13.889 2.395 9.701) 17.110 26.897 ( 12.049 4.815 -10.945) 16.975 27.550 ( 10.047 -6.820 4.425) 12.924 27.693 ( 18.295 -6.079 -10.196) 21.809 30.544 ( 2.839 -8.653 6.381) 11.120 30.723 ( 0.717 -14.011 -11.051) 17.859 34.095 ( -7.437 4.890 7.434) 11.597 34.208 ( -10.296 6.520 -2.537) 12.448 ======================= Grid point 378 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 13.488 0.928 14.902) 20.121 2.468 ( 9.373 8.590 -11.376) 17.061 2.706 ( 11.264 -11.605 13.276) 20.924 2.970 ( 4.854 -5.453 -11.782) 13.860 3.993 ( 20.826 0.784 5.847) 21.645 4.156 ( 16.269 -3.124 -9.470) 19.082 5.118 ( 16.632 -9.006 14.806) 24.020 5.342 ( 4.619 0.854 -1.936) 5.081 5.532 ( 2.298 0.085 -0.304) 2.320 5.644 ( -17.363 4.685 -6.654) 19.176 7.295 ( 20.762 1.592 9.886) 23.050 7.446 ( 12.480 7.863 0.064) 14.751 7.700 ( -4.830 -0.618 4.276) 6.481 7.930 ( -5.296 4.808 -12.673) 14.552 8.355 ( 4.971 -2.367 0.552) 5.534 8.440 ( 0.801 -0.256 -7.209) 7.258 10.777 ( -16.586 7.844 8.595) 20.260 10.946 ( -16.084 4.417 -7.340) 18.223 12.720 ( -2.162 -2.665 8.938) 9.574 12.905 ( -2.687 1.551 -8.512) 9.060 13.937 ( 6.893 3.741 7.792) 11.056 14.089 ( 7.373 3.063 -6.568) 10.338 15.265 ( 5.928 -0.254 0.965) 6.012 15.292 ( 4.556 -0.796 -1.372) 4.824 15.465 ( -2.085 -4.655 2.737) 5.789 15.536 ( -0.795 -6.615 -4.253) 7.904 19.002 ( -6.666 0.998 7.182) 9.850 19.114 ( -5.406 -1.255 -3.703) 6.672 26.806 ( 5.493 2.548 7.380) 9.547 26.962 ( 1.797 1.958 -7.158) 7.636 27.835 ( 14.527 -3.808 7.978) 17.005 28.046 ( 17.867 1.273 -12.090) 21.611 30.704 ( 3.430 -9.315 6.804) 12.035 30.919 ( 2.169 -15.249 -14.287) 21.008 33.910 ( -7.275 4.866 5.649) 10.418 33.975 ( -8.554 5.198 0.017) 10.009 ======================= Grid point 379 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 9.298 -2.742 9.201) 13.366 2.561 ( 9.101 4.300 -5.817) 11.626 3.057 ( 14.034 -7.285 8.491) 17.948 3.178 ( 12.813 -10.533 -4.313) 17.138 4.263 ( 11.506 1.648 2.144) 11.819 4.387 ( 6.000 3.135 -8.197) 10.631 4.981 ( -14.310 2.939 11.820) 18.792 5.222 ( -16.719 4.400 -10.111) 20.028 5.690 ( 18.849 -3.886 6.218) 20.225 5.806 ( 13.305 -5.123 -4.632) 14.991 7.376 ( -2.652 5.036 10.719) 12.136 7.536 ( 0.438 2.949 12.349) 12.704 7.602 ( 1.761 4.608 -9.461) 10.670 7.836 ( -1.204 3.934 -14.628) 15.196 8.492 ( 6.152 -1.965 -0.011) 6.458 8.527 ( 8.277 -1.526 -3.275) 9.031 10.488 ( -10.125 3.417 10.460) 14.954 10.693 ( -9.917 1.311 -8.939) 13.415 12.719 ( -1.703 -3.139 5.738) 6.759 12.838 ( -2.221 2.595 -5.482) 6.459 13.998 ( 4.485 2.471 8.067) 9.555 14.159 ( 4.582 2.353 -7.047) 8.729 15.359 ( 4.527 0.108 1.230) 4.692 15.379 ( 4.627 0.155 -0.287) 4.639 15.481 ( -1.838 -4.073 4.365) 6.246 15.599 ( 0.264 -5.018 -6.851) 8.496 18.904 ( -3.924 0.552 8.412) 9.299 19.050 ( -3.455 -0.904 -5.628) 6.666 26.836 ( 1.451 1.645 5.299) 5.735 26.949 ( -1.252 0.335 -5.321) 5.477 28.083 ( 10.728 -0.859 7.909) 13.355 28.259 ( 10.620 3.354 -8.510) 14.016 30.852 ( 2.633 -7.079 8.205) 11.152 31.113 ( 2.464 -10.987 -17.156) 20.521 33.756 ( -4.886 3.378 5.126) 7.846 33.809 ( -5.342 3.049 0.446) 6.167 ======================= Grid point 380 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 3.024 -1.467 5.954) 6.837 2.641 ( 3.070 0.914 -4.123) 5.221 3.300 ( 7.722 -2.865 19.290) 20.975 3.633 ( 21.057 -11.846 -7.248) 25.224 4.165 ( -17.012 10.373 4.235) 20.370 4.339 ( -0.843 1.045 -9.755) 9.847 4.874 ( 0.358 -0.349 0.964) 1.086 4.972 ( -6.265 2.025 -7.370) 9.883 5.971 ( 10.584 1.020 2.967) 11.040 6.007 ( 2.855 -4.127 -0.290) 5.026 7.287 ( -1.974 1.760 8.292) 8.703 7.411 ( -4.080 1.817 -1.929) 4.865 7.656 ( 3.411 1.458 0.474) 3.740 7.771 ( -1.900 1.810 -9.434) 9.792 8.595 ( 3.124 -0.786 2.423) 4.031 8.661 ( 4.153 -0.644 -3.848) 5.698 10.348 ( -3.517 0.875 11.605) 12.157 10.573 ( -3.380 0.124 -9.691) 10.264 12.736 ( -0.543 -3.384 1.974) 3.955 12.777 ( -0.954 3.237 -1.888) 3.867 14.032 ( 1.642 0.872 8.048) 8.260 14.194 ( 1.641 0.875 -7.129) 7.367 15.408 ( 1.320 -0.014 1.530) 2.021 15.433 ( 1.974 0.518 -0.653) 2.143 15.494 ( -0.755 -1.882 6.312) 6.630 15.647 ( 0.457 -1.823 -8.382) 8.590 18.855 ( -1.290 0.179 8.894) 8.989 19.018 ( -1.177 -0.322 -6.555) 6.667 26.835 ( 0.253 0.601 4.190) 4.241 26.927 ( -0.849 -0.041 -4.417) 4.498 28.211 ( 3.764 0.008 6.832) 7.801 28.348 ( 3.410 1.495 -5.805) 6.897 30.940 ( 0.981 -2.627 9.325) 9.738 31.231 ( 1.040 -3.896 -18.622) 19.054 33.674 ( -1.641 1.168 4.933) 5.329 33.725 ( -1.825 0.994 0.463) 2.129 ======================= Grid point 387 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 5.007 -0.000 26.655) 27.121 2.209 ( 9.521 -0.000 21.260) 23.295 2.588 ( 9.019 -0.000 -10.325) 13.710 2.789 ( 1.184 -0.000 -25.351) 25.379 3.588 ( 25.770 -0.000 11.570) 28.248 3.839 ( 8.449 -0.000 -14.357) 16.659 4.449 ( 28.303 -0.000 22.530) 36.176 4.931 ( 21.838 -0.000 -21.224) 30.453 5.909 ( -15.512 0.000 8.965) 17.917 6.049 ( -15.517 0.000 -4.059) 16.039 6.876 ( 29.549 -0.000 10.403) 31.327 7.197 ( 26.920 -0.000 -20.026) 33.552 7.737 ( -2.500 0.000 15.343) 15.545 8.043 ( -3.631 0.000 -12.447) 12.966 8.271 ( -0.192 0.000 9.625) 9.627 8.477 ( -3.480 0.000 -8.806) 9.469 11.389 ( -25.026 0.000 1.514) 25.072 11.420 ( -26.278 0.000 -1.279) 26.309 12.714 ( -1.632 0.000 12.753) 12.857 12.967 ( -1.360 0.000 -11.134) 11.217 13.895 ( 10.475 -0.000 5.402) 11.786 13.997 ( 11.924 -0.000 -4.293) 12.674 15.169 ( 3.254 -0.000 0.987) 3.400 15.210 ( 1.739 -0.000 -2.524) 3.065 15.394 ( -1.702 0.000 0.398) 1.748 15.400 ( -1.763 0.000 -0.197) 1.774 19.169 ( -10.131 0.000 2.658) 10.474 19.183 ( -6.850 0.000 0.851) 6.903 26.709 ( 14.825 -0.000 11.171) 18.563 26.963 ( 8.407 -0.000 -11.859) 14.537 27.470 ( 12.473 -0.000 2.807) 12.785 27.604 ( 26.431 -0.000 -12.286) 29.146 30.444 ( 4.190 -0.000 4.064) 5.837 30.553 ( 1.014 -0.000 -6.103) 6.186 34.153 ( -8.356 0.000 8.381) 11.834 34.286 ( -12.193 0.000 -3.539) 12.696 ======================= Grid point 388 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 9.863 5.186 20.926) 23.708 2.480 ( 14.111 -7.287 15.186) 21.974 2.680 ( 8.362 8.053 -12.573) 17.113 2.853 ( 3.171 -4.858 -18.037) 18.947 4.043 ( 24.143 3.146 2.911) 24.521 4.108 ( 21.613 -1.985 -3.772) 22.030 4.934 ( 22.525 -5.346 17.870) 29.246 5.292 ( 17.189 -2.500 -14.591) 22.685 5.606 ( -14.637 3.202 7.553) 16.779 5.733 ( -18.484 2.437 -4.280) 19.128 7.331 ( 21.751 1.212 10.122) 24.022 7.587 ( 18.370 2.691 -14.471) 23.539 7.679 ( -4.464 0.701 14.730) 15.407 7.973 ( -5.163 -0.728 -12.032) 13.113 8.308 ( 4.513 -1.262 2.049) 5.114 8.420 ( -2.459 -0.814 -7.477) 7.913 10.926 ( -23.262 5.027 3.214) 24.015 10.995 ( -22.754 -0.096 -3.204) 22.979 12.696 ( -0.538 -0.112 12.409) 12.422 12.942 ( -0.852 1.113 -10.719) 10.810 14.013 ( 5.561 2.317 7.483) 9.607 14.150 ( 7.208 1.773 -5.515) 9.247 15.264 ( 7.006 0.327 -0.358) 7.023 15.277 ( 5.607 -0.553 -1.277) 5.777 15.382 ( -1.293 -2.125 0.748) 2.597 15.401 ( -0.686 -4.211 -1.211) 4.435 19.014 ( -7.570 0.240 4.874) 9.006 19.077 ( -6.135 -1.342 -1.435) 6.442 26.852 ( 3.736 1.244 6.932) 7.973 26.980 ( -2.627 -0.024 -4.921) 5.578 27.780 ( 20.148 -1.159 9.709) 22.396 28.092 ( 25.831 1.798 -20.721) 33.164 30.565 ( 7.181 -2.411 1.520) 7.726 30.641 ( 4.805 -8.050 -5.933) 11.095 33.987 ( -9.285 1.805 6.189) 11.303 34.061 ( -11.825 2.094 -0.013) 12.009 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 9.837 2.101 15.693) 18.640 2.723 ( 7.503 7.894 -12.804) 16.809 2.869 ( 21.294 -7.474 7.348) 23.734 3.009 ( 9.248 -4.923 -6.411) 12.283 4.324 ( 14.121 3.941 5.230) 15.566 4.465 ( 15.551 2.908 -6.456) 17.087 5.040 ( -14.319 1.421 14.498) 20.427 5.304 ( -16.336 2.603 -9.843) 19.249 5.593 ( 16.507 -3.154 5.113) 17.566 5.703 ( 14.295 -4.276 -4.955) 15.722 7.487 ( -1.498 4.333 9.715) 10.742 7.591 ( -3.951 0.970 9.751) 10.565 7.715 ( 4.832 5.727 -6.231) 9.746 7.907 ( -2.279 1.656 -13.651) 13.938 8.437 ( 5.815 -2.383 -1.185) 6.395 8.469 ( 6.675 -3.274 -4.316) 8.596 10.538 ( -17.091 1.856 6.234) 18.287 10.670 ( -16.523 -2.457 -6.223) 17.826 12.697 ( 0.893 0.460 10.930) 10.976 12.913 ( 0.397 3.188 -9.376) 9.911 14.056 ( 2.805 2.327 8.301) 9.065 14.215 ( 3.495 2.285 -6.754) 7.941 15.355 ( 2.681 -0.633 1.403) 3.091 15.379 ( 3.716 -0.395 -0.904) 3.845 15.401 ( 1.990 -2.170 2.897) 4.131 15.484 ( 4.309 -4.557 -5.186) 8.138 18.909 ( -4.669 0.079 6.233) 7.788 19.009 ( -4.233 -2.257 -3.493) 5.934 26.859 ( -0.824 0.583 3.648) 3.785 26.927 ( -4.063 -1.708 -2.791) 5.217 28.090 ( 14.830 1.048 11.222) 18.627 28.379 ( 13.476 5.956 -15.988) 21.741 30.722 ( 7.166 -3.967 4.051) 9.138 30.879 ( 10.033 -8.920 -11.527) 17.695 33.816 ( -7.929 1.820 4.982) 9.539 33.862 ( -8.735 1.550 1.189) 8.951 ======================= Grid point 390 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 7.512 1.653 10.279) 12.838 2.744 ( 4.342 6.367 -8.883) 11.760 3.242 ( 13.395 -1.928 10.020) 16.839 3.377 ( 23.892 -9.868 -1.846) 25.915 4.390 ( -10.672 7.483 0.416) 13.041 4.402 ( -4.590 6.128 -0.807) 7.698 4.890 ( 1.708 1.604 3.203) 3.969 5.034 ( -8.430 3.043 -8.584) 12.410 5.894 ( 7.497 -4.716 4.445) 9.910 5.971 ( 11.859 -2.174 -2.744) 12.365 7.353 ( -5.134 3.822 8.322) 10.499 7.467 ( -5.965 2.755 -1.873) 6.832 7.709 ( 0.225 3.114 1.170) 3.334 7.832 ( -2.975 3.181 -9.612) 10.552 8.548 ( 2.873 -3.157 1.797) 4.631 8.616 ( 3.803 -3.115 -4.423) 6.613 10.312 ( -10.099 -2.921 8.980) 13.826 10.496 ( -9.349 -5.775 -8.447) 13.860 12.718 ( 2.661 1.191 8.510) 8.996 12.886 ( 2.226 5.480 -7.298) 9.394 14.058 ( -0.138 1.320 8.351) 8.455 14.224 ( 0.233 1.632 -7.290) 7.474 15.386 ( -0.165 -1.850 1.632) 2.473 15.405 ( -0.710 -2.107 -0.021) 2.223 15.487 ( 4.970 0.667 4.182) 6.530 15.606 ( 5.107 -1.581 -7.079) 8.871 18.852 ( -2.090 -0.272 7.332) 7.629 18.983 ( -2.033 -2.464 -5.132) 6.045 26.828 ( -2.586 -0.921 3.041) 4.096 26.892 ( -2.716 -2.496 -2.939) 4.717 28.247 ( 6.088 2.632 9.061) 11.229 28.449 ( 3.931 6.453 -9.818) 12.389 30.885 ( 7.225 -2.134 7.790) 10.837 31.135 ( 10.198 -4.317 -16.385) 19.776 33.690 ( -5.161 0.285 4.725) 7.003 33.735 ( -5.113 -0.061 0.918) 5.195 ======================= Grid point 391 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 2.706 4.143 6.572) 8.227 2.721 ( 1.050 6.380 -5.178) 8.284 3.370 ( -0.127 3.675 21.266) 21.582 3.822 ( 2.448 -0.691 -20.121) 20.282 4.010 ( -2.182 2.278 18.668) 18.932 4.341 ( 0.800 1.350 -12.654) 12.751 4.910 ( 1.526 2.780 -1.234) 3.403 4.955 ( 2.148 0.727 -5.173) 5.648 5.926 ( -7.476 -2.396 8.120) 11.294 6.082 ( -0.454 1.739 -6.471) 6.716 7.275 ( -0.754 0.678 7.613) 7.680 7.398 ( 1.131 0.913 -2.474) 2.870 7.646 ( -5.528 0.504 1.319) 5.706 7.763 ( -1.287 1.274 -8.699) 8.885 8.579 ( -3.057 -2.253 2.443) 4.515 8.640 ( -4.605 -2.501 -3.333) 6.210 10.256 ( -3.008 -6.601 11.118) 13.275 10.476 ( -2.448 -7.849 -9.655) 12.681 12.762 ( 4.413 1.690 5.214) 7.037 12.866 ( 3.981 7.389 -4.580) 9.562 14.021 ( -3.369 -0.129 8.258) 8.920 14.189 ( -2.960 0.385 -7.538) 8.108 15.391 ( -1.648 -1.387 1.256) 2.493 15.404 ( -1.984 -1.538 0.263) 2.524 15.543 ( 3.516 2.033 5.228) 6.620 15.681 ( 3.234 1.083 -7.816) 8.528 18.843 ( 0.278 -0.790 8.226) 8.268 18.994 ( 0.170 -2.266 -6.146) 6.552 26.800 ( -2.694 -2.225 3.997) 5.309 26.889 ( -1.389 -2.967 -4.377) 5.467 28.249 ( -1.633 3.027 7.020) 7.817 28.391 ( -2.852 4.729 -6.183) 8.290 30.999 ( 5.981 2.471 10.310) 12.173 31.304 ( 8.096 2.478 -18.859) 20.672 33.638 ( -2.032 -1.972 4.920) 5.677 33.690 ( -1.483 -1.989 0.282) 2.497 ======================= Grid point 392 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -4.001 6.662 5.162) 9.330 2.605 ( -5.787 8.518 -2.431) 10.581 3.200 ( -9.203 6.588 14.133) 18.106 3.446 ( -16.547 12.168 -7.088) 21.728 4.201 ( -3.809 -4.058 4.257) 7.007 4.374 ( 3.279 2.018 -9.846) 10.572 4.942 ( 8.532 -0.039 6.447) 10.694 5.123 ( 14.738 -3.968 -9.396) 17.923 5.731 ( -15.778 0.135 10.237) 18.808 5.930 ( -11.773 4.898 -8.484) 15.316 7.286 ( -0.190 -2.345 8.901) 9.206 7.480 ( 6.084 -2.297 3.874) 7.570 7.511 ( -10.618 -2.239 -2.114) 11.056 7.758 ( -0.813 -2.624 -12.634) 12.929 8.506 ( -6.689 -0.905 0.886) 6.808 8.534 ( -9.363 -1.147 -1.846) 9.612 10.348 ( 3.144 -9.070 12.012) 15.376 10.579 ( 3.317 -8.817 -9.850) 13.630 12.827 ( 5.550 1.877 1.230) 5.987 12.854 ( 5.011 8.446 -1.221) 9.896 13.951 ( -5.833 -1.622 8.229) 10.216 14.120 ( -5.315 -0.958 -7.717) 9.419 15.353 ( -4.063 -0.448 1.301) 4.290 15.372 ( -3.146 -0.453 -0.265) 3.189 15.566 ( 2.700 3.177 5.069) 6.564 15.695 ( 1.638 3.375 -7.362) 8.263 18.880 ( 2.550 -1.483 8.788) 9.270 19.039 ( 2.257 -1.927 -6.354) 7.013 26.783 ( -3.020 -2.843 5.316) 6.743 26.903 ( -1.752 -3.507 -5.958) 7.132 28.135 ( -7.083 3.489 6.055) 9.951 28.254 ( -8.168 2.712 -5.023) 9.965 31.025 ( 3.935 7.896 11.397) 14.412 31.351 ( 5.545 9.661 -19.735) 22.661 33.667 ( 1.223 -4.403 5.249) 6.959 33.728 ( 1.832 -4.038 -0.291) 4.444 ======================= Grid point 393 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -10.634 12.033 4.488) 16.674 2.375 ( -10.002 1.537 -2.488) 10.421 2.955 ( -10.010 9.235 8.705) 16.163 3.108 ( -9.712 7.496 -7.184) 14.217 4.010 ( -15.103 2.235 9.819) 18.153 4.274 ( -7.354 7.276 -14.393) 17.725 5.204 ( 13.456 -3.443 11.734) 18.183 5.318 ( -13.394 2.151 4.060) 14.161 5.549 ( 10.583 -3.203 -3.533) 11.608 5.626 ( -13.236 6.115 -7.853) 16.560 7.257 ( -20.613 -3.172 8.231) 22.421 7.281 ( -8.540 -4.647 5.496) 11.169 7.667 ( 8.069 -3.719 -1.143) 8.958 7.797 ( 1.887 -5.489 -13.208) 14.427 8.388 ( -7.283 -0.261 -0.222) 7.291 8.419 ( -4.089 -1.584 -2.714) 5.157 10.562 ( 8.278 -11.605 11.620) 18.391 10.784 ( 8.126 -10.218 -9.336) 16.050 12.843 ( 4.881 8.401 2.539) 10.042 12.903 ( 5.592 1.882 -3.054) 6.643 13.862 ( -7.483 -2.737 8.260) 11.477 14.032 ( -6.910 -1.789 -7.767) 10.549 15.272 ( -5.064 0.342 1.799) 5.385 15.311 ( -3.416 0.817 -1.663) 3.886 15.567 ( 2.236 3.967 4.069) 6.107 15.669 ( 0.923 4.846 -5.858) 7.658 18.964 ( 4.731 -2.392 8.748) 10.229 19.113 ( 4.044 -1.560 -5.575) 7.062 26.745 ( -5.835 -2.764 6.509) 9.168 26.890 ( -5.397 -4.103 -7.181) 9.876 27.944 ( -8.835 5.425 5.293) 11.640 28.057 ( -11.444 2.267 -5.271) 12.802 30.957 ( 1.814 12.497 11.478) 17.065 31.280 ( 3.350 15.868 -19.529) 25.386 33.777 ( 4.137 -6.681 5.371) 9.518 33.841 ( 4.566 -6.329 -0.534) 7.822 ======================= Grid point 394 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -9.871 6.622 12.985) 17.604 2.259 ( -5.427 -4.469 -10.465) 12.607 2.644 ( -14.115 9.074 11.641) 20.422 2.893 ( -10.285 2.607 -11.434) 15.598 3.717 ( -11.050 7.742 16.222) 21.100 4.075 ( -1.345 10.559 -17.315) 20.325 4.850 ( -24.273 11.546 14.968) 30.765 5.157 ( -17.806 6.208 -13.398) 23.132 5.619 ( 11.488 -6.224 13.068) 18.479 5.873 ( 14.746 -4.922 -9.951) 18.457 6.850 ( -26.831 -0.460 10.529) 28.827 7.079 ( -21.114 -3.442 -9.074) 23.238 7.808 ( 7.186 -0.525 8.321) 11.007 7.972 ( 6.945 -7.261 -3.183) 10.540 8.318 ( -1.696 -0.311 -1.746) 2.454 8.409 ( -1.143 -3.715 -7.994) 8.889 10.898 ( 12.824 -16.183 10.155) 23.010 11.089 ( 11.901 -13.387 -7.828) 19.547 12.827 ( 3.575 7.290 6.144) 10.182 12.968 ( 4.273 1.845 -7.096) 8.486 13.755 ( -9.036 -3.026 7.976) 12.427 13.921 ( -8.365 -1.415 -7.674) 11.440 15.191 ( -3.336 0.640 2.666) 4.318 15.252 ( -1.609 1.378 -3.010) 3.681 15.554 ( 1.895 4.387 2.713) 5.495 15.623 ( 0.769 5.580 -4.080) 6.955 19.094 ( 6.426 -3.585 7.537) 10.534 19.207 ( 5.042 -1.177 -3.626) 6.321 26.626 ( -11.268 -1.677 7.241) 13.499 26.790 ( -12.392 -4.200 -8.075) 15.376 27.734 ( -6.027 8.452 3.628) 10.997 27.826 ( -10.138 5.251 -5.171) 12.534 30.816 ( 0.250 14.834 10.988) 18.461 31.119 ( 1.759 19.559 -18.290) 26.836 33.945 ( 5.343 -8.056 5.757) 11.251 34.023 ( 6.337 -9.074 -1.195) 11.132 ======================= Grid point 395 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.583 -1.713 22.664) 22.736 2.246 ( -10.273 -3.209 7.013) 12.846 2.314 ( -8.984 0.904 -1.982) 9.244 2.703 ( -9.556 -1.738 -21.647) 23.726 3.516 ( 2.119 12.765 27.330) 30.239 4.030 ( 9.331 10.840 -18.858) 23.668 4.286 ( -22.216 14.312 16.249) 31.023 4.733 ( -20.550 9.011 -21.963) 31.399 5.878 ( 7.313 -9.751 13.329) 18.062 6.130 ( 8.422 -5.261 -9.606) 13.816 6.433 ( -19.489 0.595 11.159) 22.465 6.728 ( -19.278 -0.343 -15.125) 24.506 7.901 ( 4.596 3.797 15.794) 16.882 8.143 ( 4.566 -5.249 6.378) 9.438 8.303 ( 0.039 2.434 -9.073) 9.394 8.443 ( -0.464 -4.439 -9.842) 10.806 11.347 ( 13.130 -21.788 7.259) 26.454 11.471 ( 11.371 -17.138 -4.540) 21.062 12.802 ( 1.731 5.034 8.860) 10.337 13.002 ( 2.063 1.614 -10.152) 10.485 13.625 ( -8.840 -1.839 7.172) 11.531 13.783 ( -7.900 0.473 -7.564) 10.948 15.154 ( -0.496 0.160 3.400) 3.440 15.227 ( 0.154 1.212 -3.406) 3.618 15.534 ( 1.452 4.319 1.315) 4.742 15.573 ( 0.945 5.761 -2.594) 6.388 19.251 ( 5.759 -4.719 4.395) 8.646 19.301 ( 4.283 -0.811 -0.720) 4.418 26.420 ( -11.922 0.606 6.545) 13.614 26.571 ( -15.374 -1.284 -7.687) 17.237 27.561 ( -2.234 9.586 1.783) 10.003 27.615 ( -4.275 9.664 -3.553) 11.149 30.648 ( -0.339 13.929 10.075) 17.194 30.916 ( 0.672 19.284 -15.842) 24.966 34.120 ( 3.866 -8.010 7.512) 11.642 34.245 ( 5.431 -11.006 -3.878) 12.871 ======================= Grid point 396 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.000 -1.627 18.644) 18.715 2.038 ( -0.000 -4.702 31.317) 31.668 2.307 ( -0.000 -2.070 -11.119) 11.310 2.672 ( -0.000 -6.163 -28.859) 29.510 3.439 ( 0.000 12.684 38.270) 40.317 3.843 ( 0.000 11.624 20.458) 23.530 4.131 ( 0.000 9.016 -27.269) 28.721 4.354 ( 0.000 8.638 -27.571) 28.893 6.072 ( -0.000 -11.854 9.368) 15.108 6.243 ( 0.000 0.449 13.437) 13.444 6.272 ( -0.000 -4.818 -10.245) 11.321 6.535 ( 0.000 0.810 -13.879) 13.903 7.874 ( 0.000 6.476 16.892) 18.091 8.234 ( 0.000 8.109 -17.351) 19.152 8.244 ( -0.000 -4.502 15.046) 15.705 8.491 ( -0.000 -4.001 -8.406) 9.310 11.732 ( -0.000 -19.935 3.940) 20.321 11.787 ( -0.000 -17.536 -1.330) 17.586 12.778 ( 0.000 1.751 10.235) 10.384 13.005 ( 0.000 0.761 -11.359) 11.385 13.544 ( -0.000 -0.343 6.232) 6.242 13.686 ( 0.000 1.784 -7.100) 7.320 15.155 ( -0.000 -0.213 3.126) 3.133 15.219 ( 0.000 0.894 -2.897) 3.032 15.501 ( 0.000 3.952 0.444) 3.976 15.521 ( 0.000 5.307 -1.567) 5.534 19.336 ( -0.000 -0.634 2.694) 2.767 19.375 ( -0.000 -3.847 -0.561) 3.888 26.287 ( 0.000 1.539 5.312) 5.530 26.403 ( 0.000 1.575 -5.610) 5.827 27.441 ( 0.000 8.221 0.671) 8.248 27.466 ( 0.000 10.202 -1.852) 10.369 30.506 ( 0.000 10.134 8.597) 13.289 30.724 ( 0.000 14.958 -12.407) 19.434 34.238 ( -0.000 -6.334 9.578) 11.483 34.418 ( -0.000 -9.705 -7.149) 12.054 ======================= Grid point 399 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 7.720 -0.000 17.895) 19.489 2.769 ( 20.649 -0.000 2.321) 20.779 2.848 ( 4.262 -0.000 -13.092) 13.768 2.940 ( 14.354 -0.000 -4.820) 15.142 4.392 ( 15.639 -0.000 4.848) 16.373 4.495 ( 18.869 -0.000 -2.698) 19.061 5.046 ( -9.645 0.000 15.459) 18.222 5.335 ( -15.775 0.000 -10.718) 19.072 5.567 ( 13.679 -0.000 3.142) 14.036 5.639 ( 11.327 -0.000 -3.413) 11.830 7.555 ( 3.273 -0.000 7.810) 8.468 7.580 ( -6.814 0.000 9.420) 11.627 7.812 ( 3.654 -0.000 -6.995) 7.892 7.907 ( -1.216 0.000 -11.775) 11.838 8.407 ( 2.435 -0.000 -2.040) 3.176 8.421 ( 8.656 -0.000 -3.305) 9.266 10.576 ( -20.787 0.000 1.752) 20.861 10.622 ( -18.903 0.000 -2.505) 19.068 12.707 ( 1.771 -0.000 12.631) 12.755 12.953 ( 1.326 -0.000 -10.494) 10.577 14.086 ( 1.802 -0.000 8.417) 8.608 14.244 ( 2.826 -0.000 -6.548) 7.132 15.342 ( 0.601 -0.000 1.338) 1.467 15.361 ( -0.593 0.000 -0.149) 0.611 15.394 ( 5.838 -0.000 0.216) 5.842 15.425 ( 9.510 -0.000 -3.350) 10.083 18.911 ( -4.683 0.000 4.506) 6.499 18.976 ( -4.559 0.000 -1.856) 4.923 26.868 ( -1.396 0.000 2.113) 2.532 26.900 ( -5.391 0.000 -0.970) 5.478 28.106 ( 16.521 -0.000 13.034) 21.043 28.459 ( 14.295 -0.000 -20.463) 24.961 30.682 ( 7.513 -0.000 1.096) 7.592 30.762 ( 14.715 -0.000 -7.039) 16.312 33.836 ( -9.119 0.000 4.879) 10.342 33.879 ( -10.223 0.000 1.552) 10.341 ======================= Grid point 400 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 7.756 0.505 13.189) 15.309 2.852 ( 2.015 2.367 -13.691) 14.039 3.221 ( 17.456 -0.273 2.621) 17.654 3.224 ( 25.839 -3.162 2.263) 26.130 4.516 ( -1.370 4.702 3.398) 5.961 4.545 ( -12.005 3.147 2.476) 12.656 4.929 ( 3.237 1.257 4.971) 6.064 5.091 ( -7.761 1.593 -8.529) 11.641 5.819 ( 8.384 -1.066 3.391) 9.106 5.887 ( 13.727 -4.178 -3.066) 14.673 7.429 ( -8.122 2.096 6.666) 10.714 7.519 ( -4.170 1.491 -1.893) 4.816 7.780 ( -3.043 2.383 1.437) 4.124 7.893 ( -1.006 1.756 -8.975) 9.200 8.471 ( 1.507 -2.792 1.978) 3.739 8.546 ( 3.080 -2.147 -4.924) 6.192 10.266 ( -14.758 -0.645 4.615) 15.476 10.373 ( -12.798 -3.907 -5.453) 14.449 12.752 ( 4.217 1.157 12.010) 12.781 12.984 ( 3.843 2.500 -9.755) 10.779 14.084 ( -1.461 0.708 8.682) 8.832 14.255 ( -0.832 0.815 -7.469) 7.559 15.349 ( -0.003 -0.953 1.137) 1.484 15.363 ( -0.246 -1.326 -0.248) 1.371 15.500 ( 5.954 0.367 2.848) 6.611 15.582 ( 7.923 -0.557 -5.115) 9.447 18.852 ( -2.215 0.257 4.565) 5.081 18.927 ( -2.550 -1.906 -2.636) 4.134 26.810 ( -4.614 -0.417 1.514) 4.874 26.841 ( -2.875 -1.543 -1.311) 3.517 28.301 ( 7.128 1.564 11.553) 13.665 28.578 ( 3.053 3.659 -14.509) 15.271 30.850 ( 11.060 -0.793 6.339) 12.772 31.055 ( 16.738 -2.150 -13.498) 21.610 33.692 ( -7.457 -0.018 4.446) 8.682 33.730 ( -7.190 -0.221 1.388) 7.326 ======================= Grid point 401 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 5.352 1.718 9.191) 10.774 2.845 ( 1.037 3.688 -7.628) 8.536 3.466 ( 10.393 4.056 13.132) 17.231 3.701 ( 21.975 -5.201 -5.219) 23.177 4.171 ( -17.833 6.844 8.856) 21.054 4.408 ( -2.317 4.165 -9.779) 10.879 4.972 ( 2.717 2.164 0.186) 3.478 5.018 ( 0.641 4.468 -4.398) 6.302 5.869 ( -4.954 -2.333 8.953) 10.495 6.066 ( 0.936 -2.856 -9.347) 9.819 7.305 ( -2.833 1.518 7.195) 7.880 7.451 ( 0.351 3.098 -5.744) 6.535 7.678 ( -6.093 2.342 4.774) 8.087 7.822 ( -3.537 3.520 -8.278) 9.666 8.491 ( -4.399 -5.208 2.439) 7.240 8.555 ( -6.155 -4.426 -3.350) 8.288 10.107 ( -7.752 -5.265 8.155) 12.422 10.280 ( -6.005 -7.864 -8.222) 12.864 12.822 ( 6.411 2.747 10.497) 12.603 13.024 ( 6.080 5.602 -8.515) 11.868 14.024 ( -4.719 0.277 8.749) 9.945 14.203 ( -3.978 0.704 -8.185) 9.128 15.358 ( -0.773 -1.275 1.054) 1.826 15.371 ( -0.782 -1.258 -0.228) 1.498 15.579 ( 4.230 1.088 4.746) 6.450 15.696 ( 5.241 0.349 -6.522) 8.375 18.830 ( -0.277 -0.152 5.523) 5.532 18.929 ( -0.578 -3.050 -3.940) 5.016 26.751 ( -3.688 -1.763 2.967) 5.051 26.819 ( -2.483 -2.712 -3.364) 4.984 28.323 ( -1.049 2.895 8.682) 9.212 28.514 ( -4.018 5.003 -9.247) 11.255 31.048 ( 11.881 1.727 10.498) 15.948 31.342 ( 15.322 0.967 -17.543) 23.312 33.594 ( -4.936 -1.659 4.793) 7.078 33.645 ( -3.903 -1.713 0.276) 4.271 ======================= Grid point 402 (128/144) ======================= q-point: (-0.55 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -1.650 5.332 7.935) 9.701 2.793 ( -1.729 5.561 -4.131) 7.140 3.410 ( -4.142 11.910 13.463) 18.446 3.703 ( -15.263 10.086 -11.174) 21.437 4.115 ( 6.832 -2.969 14.195) 16.031 4.439 ( 8.100 3.145 -12.702) 15.390 4.989 ( 3.590 4.130 -0.040) 5.473 5.053 ( 10.014 -2.174 -5.004) 11.404 5.718 ( -13.899 -1.023 12.106) 18.460 5.987 ( -11.104 -0.359 -12.798) 16.947 7.279 ( -0.614 1.382 7.613) 7.762 7.461 ( 1.498 1.310 -8.748) 8.972 7.512 ( -8.681 2.084 9.665) 13.157 7.723 ( -4.489 -0.271 -9.624) 10.623 8.446 ( -7.639 -4.656 0.500) 8.960 8.461 ( -10.210 -5.421 -0.841) 11.590 10.113 ( -2.173 -10.302 11.089) 15.291 10.334 ( -0.769 -11.347 -9.887) 15.069 12.905 ( 7.803 4.165 7.906) 11.863 13.059 ( 7.351 8.621 -6.598) 13.110 13.925 ( -6.834 -0.685 8.872) 11.220 14.113 ( -5.852 0.136 -8.792) 10.562 15.339 ( -2.941 -0.737 1.384) 3.333 15.361 ( -1.608 -0.457 -0.645) 1.792 15.622 ( 2.814 1.804 5.343) 6.303 15.751 ( 2.552 1.621 -7.012) 7.636 18.846 ( 1.398 -1.166 6.823) 7.061 18.972 ( 1.138 -3.609 -5.106) 6.356 26.720 ( -3.009 -2.415 4.025) 5.575 26.813 ( -2.856 -3.878 -4.718) 6.742 28.220 ( -6.057 3.609 6.250) 9.422 28.349 ( -8.377 4.784 -5.837) 11.276 31.194 ( 10.434 6.682 12.971) 17.938 31.538 ( 12.434 6.660 -19.642) 24.182 33.567 ( -2.000 -4.152 5.436) 7.126 33.636 ( -0.824 -3.776 -0.941) 3.978 ======================= Grid point 403 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -8.480 7.593 6.752) 13.234 2.617 ( -8.392 11.434 -3.887) 14.706 3.166 ( -6.953 12.487 7.111) 15.964 3.324 ( -14.047 11.333 -7.596) 19.582 4.084 ( -6.159 3.801 16.581) 18.092 4.461 ( 0.406 8.622 -18.143) 20.091 5.130 ( 13.037 -1.820 8.865) 15.870 5.320 ( 6.363 -2.104 -7.430) 10.006 5.492 ( -5.297 -2.177 11.430) 12.784 5.744 ( -13.960 3.086 -11.335) 18.245 7.177 ( -12.707 -0.893 5.177) 13.750 7.247 ( -15.810 -0.346 2.021) 15.943 7.576 ( 7.475 -2.433 0.453) 7.874 7.706 ( -0.201 -3.289 -9.357) 9.920 8.329 ( -9.735 -4.211 1.530) 10.717 8.375 ( -6.693 -3.467 -2.730) 8.017 10.255 ( 1.950 -14.730 12.595) 19.478 10.498 ( 2.839 -14.117 -10.441) 17.787 12.988 ( 7.853 5.087 4.241) 10.273 13.074 ( 7.238 10.907 -3.891) 13.656 13.814 ( -7.593 -1.554 9.138) 11.982 14.008 ( -6.405 -0.382 -9.237) 11.247 15.278 ( -4.287 0.128 2.518) 4.973 15.327 ( -2.126 0.603 -2.037) 3.006 15.638 ( 1.830 2.293 4.653) 5.501 15.752 ( 0.655 2.621 -6.391) 6.939 18.904 ( 2.855 -2.571 7.963) 8.841 19.047 ( 2.515 -3.981 -5.641) 7.348 26.688 ( -4.322 -2.094 4.650) 6.685 26.794 ( -5.255 -4.123 -5.267) 8.506 28.058 ( -7.001 4.323 3.862) 9.090 28.136 ( -10.140 4.264 -3.419) 11.519 31.243 ( 7.674 12.200 14.184) 20.221 31.610 ( 8.987 12.909 -20.673) 25.977 33.620 ( 0.932 -6.843 5.732) 8.975 33.700 ( 1.658 -5.995 -1.647) 6.434 ======================= Grid point 404 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -11.962 8.409 2.304) 14.803 2.310 ( -6.851 11.180 -3.150) 13.485 2.851 ( -15.772 11.215 6.403) 20.384 2.997 ( -11.137 8.063 -6.738) 15.311 3.932 ( -0.923 10.193 18.955) 21.542 4.340 ( 1.923 12.025 -19.104) 22.656 5.057 ( -19.124 6.487 11.075) 23.032 5.248 ( -9.061 1.605 -5.121) 10.531 5.564 ( 5.123 0.985 7.229) 8.915 5.771 ( 15.294 -4.411 -9.070) 18.320 6.843 ( -23.683 -0.048 8.927) 25.309 7.008 ( -16.594 -2.342 -4.706) 17.407 7.760 ( 7.313 -3.378 0.612) 8.078 7.793 ( 5.656 -7.188 -4.254) 10.088 8.245 ( -5.905 -5.648 0.864) 8.217 8.320 ( -4.419 -3.923 -4.933) 7.698 10.504 ( 4.963 -18.521 12.580) 22.933 10.743 ( 5.304 -16.717 -10.084) 20.230 13.045 ( 5.723 8.116 0.387) 9.939 13.061 ( 6.223 9.237 -1.177) 11.200 13.703 ( -7.605 -1.677 9.453) 12.247 13.904 ( -6.235 -0.178 -9.558) 11.414 15.204 ( -3.478 0.539 3.824) 5.197 15.284 ( -1.286 1.366 -3.637) 4.092 15.635 ( 1.164 2.656 3.398) 4.467 15.722 ( -0.193 3.189 -5.082) 6.003 19.001 ( 3.834 -4.296 8.511) 10.276 19.144 ( 3.286 -4.230 -5.264) 7.510 26.601 ( -7.943 -0.596 5.064) 9.439 26.713 ( -8.773 -2.614 -5.435) 10.646 27.902 ( -4.596 5.994 1.174) 7.643 27.928 ( -7.978 3.948 -1.301) 8.996 31.181 ( 4.424 16.670 14.552) 22.566 31.555 ( 5.449 18.236 -21.072) 28.395 33.746 ( 2.884 -9.184 5.433) 11.053 33.823 ( 3.093 -8.355 -1.669) 9.064 ======================= Grid point 405 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -4.634 7.147 10.377) 13.425 2.195 ( -0.324 1.336 -7.711) 7.833 2.426 ( -17.813 9.938 10.946) 23.149 2.728 ( -11.098 5.288 -15.197) 19.547 3.845 ( 7.455 14.962 24.218) 29.427 4.306 ( 10.100 12.456 -18.028) 24.128 4.607 ( -19.237 13.096 13.323) 26.816 4.932 ( -16.901 7.862 -15.915) 24.510 5.719 ( 6.663 -3.789 15.387) 17.190 6.028 ( 9.189 -3.646 -12.479) 15.920 6.458 ( -18.171 1.675 11.480) 21.559 6.730 ( -15.594 0.316 -12.412) 19.933 7.910 ( 6.382 -2.817 8.472) 10.974 7.990 ( 4.800 -7.453 6.584) 11.042 8.258 ( -1.485 -6.653 -7.708) 10.290 8.314 ( -2.924 -6.282 -7.977) 10.566 10.834 ( 5.741 -22.904 11.379) 26.211 11.046 ( 5.515 -19.788 -8.747) 22.327 12.991 ( 2.742 11.293 3.233) 12.063 13.079 ( 3.520 5.249 -5.106) 8.125 13.596 ( -6.148 -0.801 9.494) 11.339 13.802 ( -4.902 1.099 -9.819) 11.029 15.159 ( -1.253 0.225 4.813) 4.979 15.258 ( 0.005 1.435 -4.503) 4.726 15.619 ( 0.755 2.985 2.177) 3.771 15.680 ( -0.137 3.576 -3.814) 5.230 19.124 ( 3.419 -6.074 7.939) 10.565 19.246 ( 2.758 -4.108 -3.905) 6.303 26.446 ( -8.478 1.549 5.442) 10.193 26.566 ( -8.904 0.632 -5.814) 10.653 27.754 ( -3.343 6.728 1.709) 7.705 27.796 ( -1.913 6.355 -2.283) 7.018 31.028 ( 1.563 18.783 14.141) 23.563 31.393 ( 2.261 21.587 -20.792) 30.057 33.909 ( 2.611 -10.335 5.305) 11.907 33.986 ( 2.908 -11.033 -1.808) 11.552 ======================= Grid point 406 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -0.000 -1.696 15.415) 15.508 2.066 ( 0.000 9.812 23.242) 25.229 2.250 ( -0.000 -2.730 -12.159) 12.462 2.577 ( 0.000 0.067 -24.564) 24.565 3.782 ( 0.000 16.196 32.106) 35.960 4.179 ( 0.000 16.899 17.663) 24.445 4.368 ( 0.000 10.706 -23.219) 25.568 4.597 ( 0.000 11.763 -21.885) 24.846 5.840 ( -0.000 -7.390 15.360) 17.045 6.161 ( -0.000 -4.205 -15.338) 15.904 6.263 ( 0.000 1.483 14.055) 14.133 6.562 ( 0.000 1.662 -13.940) 14.039 7.980 ( 0.000 1.495 14.719) 14.794 8.110 ( -0.000 -6.904 14.337) 15.913 8.309 ( -0.000 -2.786 -16.215) 16.453 8.365 ( -0.000 -6.893 -9.590) 11.810 11.176 ( -0.000 -26.025 9.295) 27.635 11.340 ( -0.000 -21.395 -6.330) 22.312 12.897 ( 0.000 8.898 6.347) 10.929 13.056 ( 0.000 3.989 -8.695) 9.566 13.539 ( -0.000 -0.030 8.829) 8.829 13.733 ( 0.000 2.199 -9.402) 9.656 15.150 ( -0.000 -0.147 4.652) 4.654 15.244 ( 0.000 1.300 -4.209) 4.406 15.590 ( 0.000 3.520 1.471) 3.815 15.636 ( 0.000 4.249 -3.090) 5.253 19.233 ( -0.000 -6.716 6.092) 9.068 19.315 ( -0.000 -3.097 -2.049) 3.713 26.335 ( 0.000 2.609 5.381) 5.980 26.452 ( 0.000 2.681 -5.655) 6.258 27.643 ( 0.000 8.279 2.039) 8.526 27.695 ( 0.000 8.846 -2.992) 9.338 30.829 ( 0.000 17.745 12.707) 21.825 31.161 ( 0.000 22.061 -19.217) 29.258 34.049 ( -0.000 -9.904 6.351) 11.766 34.152 ( -0.000 -12.658 -3.054) 13.021 ======================= Grid point 411 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 5.772 -0.000 10.043) 11.583 2.884 ( 0.416 -0.000 -8.771) 8.781 3.517 ( 15.069 -0.000 7.811) 16.973 3.639 ( 23.644 -0.000 -1.210) 23.675 4.253 ( -17.927 0.000 8.623) 19.893 4.471 ( -4.803 0.000 -9.065) 10.259 5.001 ( 1.815 -0.000 3.430) 3.881 5.085 ( 2.491 -0.000 -4.612) 5.242 5.841 ( -4.194 0.000 7.265) 8.389 6.014 ( 1.703 -0.000 -8.890) 9.052 7.325 ( -3.550 0.000 7.190) 8.019 7.492 ( -0.159 0.000 -8.365) 8.366 7.719 ( -5.009 0.000 6.814) 8.457 7.879 ( -3.047 0.000 -8.613) 9.136 8.408 ( -6.708 0.000 3.711) 7.666 8.493 ( -7.481 0.000 -4.197) 8.578 10.047 ( -9.804 0.000 5.994) 11.491 10.181 ( -6.741 0.000 -6.779) 9.560 12.856 ( 6.957 -0.000 12.298) 14.130 13.091 ( 6.725 -0.000 -9.754) 11.847 14.028 ( -5.254 0.000 8.977) 10.402 14.213 ( -4.364 0.000 -8.442) 9.503 15.342 ( -0.415 0.000 0.821) 0.920 15.355 ( -0.012 0.000 -0.393) 0.393 15.592 ( 4.389 -0.000 4.541) 6.316 15.700 ( 5.858 -0.000 -5.876) 8.297 18.835 ( -0.211 0.000 3.044) 3.052 18.884 ( -1.017 0.000 -1.720) 1.998 26.730 ( -3.845 0.000 2.366) 4.515 26.785 ( -2.740 0.000 -2.784) 3.906 28.359 ( -1.116 0.000 9.572) 9.637 28.577 ( -4.985 0.000 -10.917) 12.001 31.069 ( 14.298 -0.000 10.332) 17.640 31.352 ( 18.217 -0.000 -16.577) 24.630 33.573 ( -6.078 0.000 4.725) 7.699 33.624 ( -4.807 0.000 0.285) 4.815 ======================= Grid point 412 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 0.072 1.021 7.965) 8.031 2.860 ( -2.858 1.117 -3.692) 4.800 3.644 ( 2.965 6.416 7.956) 10.642 3.863 ( -6.600 3.291 -12.197) 14.253 4.079 ( 6.332 -0.287 22.868) 23.730 4.502 ( 10.274 1.981 -15.296) 18.532 5.022 ( 3.645 -0.629 2.611) 4.528 5.099 ( 1.817 3.989 -4.920) 6.590 5.696 ( -12.512 -0.644 9.264) 15.582 5.934 ( -11.554 -2.721 -12.723) 17.401 7.318 ( 1.922 1.348 8.429) 8.749 7.497 ( -1.244 1.070 -8.526) 8.683 7.596 ( -5.845 3.311 7.741) 10.250 7.763 ( -7.925 3.572 -8.297) 12.017 8.290 ( -10.093 -6.886 2.073) 12.393 8.341 ( -11.180 -3.954 -2.513) 12.122 9.941 ( -5.404 -4.110 9.458) 11.642 10.137 ( -2.156 -4.947 -9.243) 10.703 12.980 ( 8.640 1.955 11.653) 14.638 13.202 ( 8.398 3.460 -9.275) 12.982 13.917 ( -7.417 -0.119 9.440) 12.006 14.118 ( -6.167 0.223 -9.537) 11.359 15.325 ( -2.081 -0.368 1.497) 2.590 15.353 ( -0.589 -0.213 -1.135) 1.297 15.648 ( 2.694 0.573 5.420) 6.080 15.773 ( 2.949 0.433 -6.477) 7.130 18.838 ( 0.978 0.458 3.293) 3.465 18.895 ( 0.438 -2.660 -2.191) 3.474 26.683 ( -2.409 -0.809 2.661) 3.680 26.747 ( -3.006 -1.671 -3.340) 4.795 28.281 ( -6.322 1.494 6.970) 9.528 28.434 ( -9.618 2.152 -7.412) 12.332 31.307 ( 14.603 2.793 13.170) 19.862 31.642 ( 16.665 2.387 -18.538) 25.042 33.495 ( -3.992 -1.791 5.598) 7.105 33.572 ( -2.313 -1.622 -1.383) 3.145 ======================= Grid point 413 (135/144) ======================= q-point: (-0.55 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -8.764 3.798 7.085) 11.892 2.745 ( -9.552 1.511 -2.732) 10.049 3.520 ( -1.667 15.533 2.651) 15.846 3.596 ( -10.651 11.213 -4.475) 16.100 4.148 ( -0.552 1.142 23.405) 23.439 4.640 ( 6.878 6.876 -20.803) 22.964 5.133 ( 9.347 1.877 2.962) 9.983 5.234 ( 15.337 -5.078 -5.392) 17.032 5.460 ( -14.419 -0.423 12.042) 18.791 5.736 ( -14.289 -3.379 -13.045) 19.641 7.236 ( -12.808 5.604 3.200) 14.342 7.271 ( -14.710 2.114 2.050) 15.002 7.603 ( 5.547 3.604 -1.242) 6.731 7.625 ( -2.883 -2.773 -2.831) 4.900 8.208 ( -9.994 -6.462 0.118) 11.901 8.242 ( -7.676 -7.617 -2.930) 11.204 9.956 ( -2.406 -10.330 12.709) 16.554 10.208 ( 0.376 -10.093 -11.377) 15.214 13.098 ( 8.836 3.972 9.869) 13.829 13.288 ( 8.454 7.162 -8.061) 13.702 13.790 ( -7.663 -0.593 10.073) 12.670 14.008 ( -6.226 0.213 -10.482) 12.194 15.278 ( -3.592 -0.077 3.059) 4.719 15.337 ( -1.137 0.306 -2.551) 2.809 15.673 ( 1.335 0.942 4.975) 5.237 15.792 ( 0.432 1.023 -6.345) 6.441 18.863 ( 1.762 -0.808 4.867) 5.239 18.951 ( 1.485 -4.052 -3.529) 5.575 26.655 ( -2.452 -0.769 2.516) 3.597 26.714 ( -4.000 -2.763 -3.028) 5.727 28.135 ( -7.526 2.386 4.063) 8.879 28.223 ( -11.088 2.951 -4.224) 12.227 31.479 ( 12.307 8.020 14.814) 20.863 31.845 ( 13.309 7.503 -19.738) 24.961 33.484 ( -1.530 -4.730 6.424) 8.123 33.583 ( -0.125 -3.986 -2.768) 4.854 ======================= Grid point 414 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -14.604 4.469 4.709) 15.982 2.492 ( -16.158 2.597 -5.352) 17.218 3.221 ( -9.044 19.021 6.115) 21.931 3.305 ( -4.044 18.944 -2.873) 19.583 4.118 ( 2.750 5.110 20.477) 21.284 4.590 ( 1.971 9.933 -22.749) 24.901 5.165 ( -13.873 3.713 8.364) 16.620 5.261 ( -2.361 0.359 0.429) 2.426 5.562 ( 5.910 -3.509 1.020) 6.949 5.668 ( 11.707 -4.503 -6.893) 14.312 6.866 ( -20.785 2.667 6.288) 21.879 6.995 ( -15.583 1.383 -4.264) 16.215 7.662 ( 4.806 -2.704 -0.204) 5.518 7.704 ( 4.576 -2.339 -1.412) 5.330 8.113 ( -8.657 -5.513 1.501) 10.372 8.204 ( -6.588 -6.661 -5.994) 11.122 10.091 ( 0.146 -16.757 14.358) 22.067 10.372 ( 1.958 -14.999 -12.333) 19.516 13.183 ( 7.316 5.610 6.871) 11.498 13.320 ( 6.807 10.434 -6.027) 13.840 13.676 ( -6.613 -0.782 10.738) 12.635 13.907 ( -5.164 0.345 -11.107) 12.254 15.214 ( -3.495 0.278 4.895) 6.021 15.311 ( -0.922 0.966 -4.306) 4.508 15.676 ( 0.515 1.145 3.725) 3.931 15.773 ( -0.860 1.437 -5.474) 5.724 18.917 ( 2.192 -2.759 6.534) 7.424 19.033 ( 1.949 -5.121 -4.529) 7.109 26.596 ( -5.291 0.063 3.228) 6.198 26.667 ( -4.619 -1.593 -3.402) 5.953 27.993 ( -5.599 2.598 0.847) 6.230 28.014 ( -8.546 3.164 -1.088) 9.177 31.533 ( 8.292 13.669 15.710) 22.414 31.917 ( 8.780 13.254 -20.491) 25.935 33.549 ( 0.615 -7.839 6.451) 10.171 33.653 ( 1.268 -6.437 -3.276) 7.334 ======================= Grid point 415 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -15.106 1.741 6.751) 16.637 2.241 ( -8.648 0.763 -9.409) 12.802 2.840 ( -6.674 23.804 9.295) 26.411 3.006 ( -4.761 19.817 -6.585) 21.418 4.130 ( 7.374 8.974 19.930) 23.067 4.555 ( 7.025 9.174 -19.463) 22.634 4.856 ( -13.555 8.952 10.377) 19.276 5.069 ( -12.670 4.076 -9.656) 16.443 5.695 ( 6.893 0.645 12.509) 14.297 5.950 ( 10.776 -3.904 -10.048) 15.242 6.511 ( -16.007 3.017 10.581) 19.424 6.742 ( -11.898 0.960 -9.540) 15.281 7.804 ( 4.754 -6.160 1.522) 7.928 7.839 ( 6.358 -4.848 2.015) 8.245 8.062 ( -5.549 -8.318 -0.849) 10.035 8.173 ( -5.581 -6.629 -7.977) 11.778 10.326 ( 1.478 -21.547 14.290) 25.897 10.603 ( 2.292 -18.828 -11.989) 22.438 13.213 ( 4.174 6.758 2.949) 8.473 13.281 ( 3.771 12.470 -3.478) 13.484 13.585 ( -4.514 -0.259 11.274) 12.147 13.827 ( -3.305 1.012 -11.475) 11.985 15.164 ( -1.812 0.204 6.232) 6.494 15.289 ( -0.165 1.245 -5.578) 5.717 15.668 ( 0.185 1.395 2.511) 2.879 15.739 ( -0.805 1.768 -4.381) 4.792 18.996 ( 1.839 -4.881 7.762) 9.352 19.128 ( 1.606 -5.899 -4.834) 7.794 26.484 ( -5.816 1.699 4.866) 7.771 26.590 ( -4.362 1.268 -5.034) 6.781 27.860 ( -4.469 3.009 2.083) 5.776 27.906 ( -1.782 3.317 -2.255) 4.389 31.455 ( 3.729 18.034 16.077) 24.446 31.848 ( 4.018 17.983 -21.065) 27.987 33.671 ( 1.307 -10.184 5.707) 11.746 33.763 ( 1.394 -8.633 -2.884) 9.208 ======================= Grid point 416 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.000 -1.136 12.013) 12.066 2.190 ( -0.000 -2.542 -12.640) 12.893 2.488 ( 0.000 25.365 11.448) 27.829 2.746 ( 0.000 15.421 -12.447) 19.818 4.110 ( 0.000 11.586 24.207) 26.837 4.555 ( 0.000 15.408 13.057) 20.197 4.576 ( 0.000 7.335 -19.612) 20.938 4.841 ( 0.000 9.055 -14.050) 16.715 5.753 ( -0.000 -0.652 15.527) 15.541 6.087 ( -0.000 -2.703 -15.442) 15.676 6.316 ( 0.000 3.243 14.160) 14.527 6.608 ( 0.000 2.252 -12.835) 13.031 7.932 ( -0.000 -5.038 7.881) 9.354 7.955 ( -0.000 -6.293 11.674) 13.262 8.134 ( -0.000 -10.841 -10.727) 15.251 8.195 ( -0.000 -7.818 -10.318) 12.945 10.605 ( -0.000 -24.244 13.025) 27.521 10.855 ( -0.000 -21.056 -10.586) 23.567 13.153 ( 0.000 11.657 0.786) 11.683 13.186 ( 0.000 8.205 -2.528) 8.586 13.542 ( 0.000 0.234 11.063) 11.066 13.779 ( 0.000 1.786 -11.295) 11.435 15.149 ( -0.000 -0.033 6.298) 6.298 15.274 ( 0.000 1.295 -5.604) 5.751 15.651 ( 0.000 1.889 1.925) 2.697 15.709 ( 0.000 2.303 -3.746) 4.398 19.079 ( -0.000 -6.411 8.216) 10.421 19.211 ( -0.000 -5.803 -4.488) 7.336 26.399 ( 0.000 2.864 5.489) 6.191 26.518 ( 0.000 2.964 -5.733) 6.454 27.784 ( 0.000 4.181 2.969) 5.128 27.848 ( 0.000 4.741 -3.146) 5.690 31.267 ( 0.000 19.954 15.730) 25.408 31.658 ( 0.000 20.945 -21.436) 29.970 33.807 ( -0.000 -11.147 5.100) 12.258 33.886 ( -0.000 -10.445 -2.209) 10.676 ======================= Grid point 423 (139/144) ======================= q-point: ( 0.36 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -8.189 0.000 5.269) 9.738 2.754 ( -10.934 0.000 -1.636) 11.056 3.728 ( 2.903 -0.000 -1.365) 3.208 3.735 ( -8.209 0.000 -1.691) 8.382 4.147 ( -0.616 0.000 29.445) 29.451 4.735 ( 11.185 -0.000 -23.115) 25.679 5.149 ( 12.741 -0.000 0.836) 12.769 5.177 ( 6.990 -0.000 -2.647) 7.475 5.460 ( -14.094 0.000 7.581) 16.004 5.671 ( -15.528 0.000 -11.445) 19.290 7.296 ( -10.058 0.000 5.032) 11.247 7.358 ( -17.660 0.000 -1.650) 17.737 7.527 ( 0.361 -0.000 8.579) 8.586 7.732 ( 1.682 -0.000 -10.773) 10.904 8.067 ( -9.124 0.000 2.571) 9.479 8.147 ( -8.350 0.000 -4.672) 9.568 9.834 ( -4.211 0.000 12.652) 13.334 10.089 ( -0.429 0.000 -11.704) 11.712 13.145 ( 9.039 -0.000 11.879) 14.927 13.372 ( 8.811 -0.000 -9.514) 12.967 13.784 ( -7.709 0.000 10.506) 13.031 14.012 ( -6.192 0.000 -10.941) 12.571 15.277 ( -3.304 0.000 3.265) 4.645 15.341 ( -0.763 0.000 -2.821) 2.923 15.683 ( 1.120 -0.000 5.101) 5.222 15.803 ( 0.363 -0.000 -6.235) 6.246 18.868 ( 1.703 -0.000 1.458) 2.242 18.888 ( 0.886 -0.000 -0.556) 1.046 26.650 ( -1.141 0.000 1.080) 1.571 26.678 ( -3.962 0.000 -1.567) 4.260 28.163 ( -7.914 0.000 4.245) 8.980 28.258 ( -11.778 0.000 -4.710) 12.685 31.575 ( 14.108 -0.000 14.684) 20.363 31.933 ( 15.056 -0.000 -19.023) 24.260 33.427 ( -2.568 0.000 6.792) 7.261 33.535 ( -0.789 0.000 -3.263) 3.357 ======================= Grid point 425 (140/144) ======================= q-point: (-0.55 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -17.019 2.340 1.352) 17.232 2.493 ( -18.346 -1.395 -2.476) 18.565 3.575 ( -4.794 9.703 10.221) 14.886 3.712 ( 2.822 13.194 -4.250) 14.146 4.137 ( 0.223 -2.791 26.903) 27.049 4.783 ( 0.775 6.169 -30.253) 30.885 5.228 ( -12.035 1.440 6.355) 13.685 5.286 ( -2.657 1.940 0.205) 3.296 5.436 ( 14.562 -5.250 1.599) 15.562 5.550 ( 6.655 -5.064 -7.647) 11.332 6.964 ( -21.280 4.744 4.877) 22.341 7.038 ( -16.950 0.966 -1.080) 17.012 7.600 ( 3.356 -2.740 7.377) 8.555 7.743 ( 4.000 5.582 -5.934) 9.076 7.993 ( -6.464 -6.607 -1.805) 9.418 8.044 ( -6.677 -4.432 -5.638) 9.798 9.810 ( -2.751 -6.886 15.515) 17.195 10.121 ( 0.196 -6.153 -14.106) 15.391 13.277 ( 7.530 2.238 11.040) 13.549 13.490 ( 7.276 3.994 -9.020) 12.258 13.665 ( -6.181 -0.203 11.589) 13.136 13.915 ( -4.835 0.249 -11.954) 12.897 15.217 ( -3.429 0.061 5.532) 6.509 15.326 ( -0.686 0.344 -4.807) 4.868 15.692 ( 0.178 0.286 3.941) 3.956 15.792 ( -1.135 0.385 -5.556) 5.684 18.887 ( 1.488 0.295 2.662) 3.064 18.932 ( 1.320 -3.436 -1.598) 4.013 26.601 ( -4.542 0.269 1.762) 4.879 26.640 ( -1.386 -0.731 -1.877) 2.445 28.033 ( -6.189 0.952 0.930) 6.330 28.059 ( -10.029 0.930 -1.480) 10.180 31.760 ( 10.656 5.541 15.490) 19.601 32.131 ( 11.015 5.116 -19.421) 22.906 33.415 ( -0.969 -3.404 7.697) 8.471 33.546 ( 0.312 -2.639 -4.586) 5.300 ======================= Grid point 426 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -19.154 0.526 4.935) 19.787 2.234 ( -12.410 -0.800 -8.721) 15.188 3.348 ( -2.309 19.407 15.613) 25.014 3.532 ( 0.502 22.623 -4.057) 22.989 4.213 ( 4.167 -1.877 18.924) 19.468 4.726 ( 2.339 6.321 -26.093) 26.950 5.016 ( -8.517 5.046 6.300) 11.734 5.123 ( -9.782 1.025 -4.080) 10.648 5.694 ( 9.872 -1.089 6.674) 11.966 5.832 ( 12.028 -6.424 -5.986) 14.892 6.594 ( -14.902 4.167 9.576) 18.197 6.772 ( -11.312 1.285 -5.917) 12.830 7.684 ( 2.783 -3.769 5.201) 7.000 7.780 ( 4.168 0.043 -1.545) 4.446 7.934 ( -5.603 -3.119 -3.441) 7.278 8.017 ( -5.458 -6.887 -8.003) 11.886 9.902 ( -0.808 -14.596 16.696) 22.191 10.235 ( 0.648 -12.598 -15.002) 19.601 13.343 ( 4.334 4.271 9.032) 10.891 13.521 ( 4.077 7.819 -7.525) 11.592 13.583 ( -3.590 0.007 12.107) 12.628 13.845 ( -2.719 0.600 -12.433) 12.741 15.167 ( -2.085 0.101 7.258) 7.552 15.312 ( -0.284 0.709 -6.385) 6.430 15.687 ( -0.081 0.469 2.727) 2.768 15.765 ( -1.075 0.682 -4.667) 4.838 18.918 ( 1.068 -1.791 4.682) 5.126 19.000 ( 0.980 -4.940 -3.112) 5.920 26.517 ( -4.088 1.072 4.577) 6.230 26.615 ( -1.499 0.870 -4.676) 4.987 27.906 ( -5.381 1.331 1.931) 5.870 27.951 ( -2.754 0.943 -2.265) 3.688 31.800 ( 5.380 11.612 16.012) 20.498 32.181 ( 5.452 10.934 -19.761) 23.233 33.470 ( 0.177 -7.092 7.487) 10.314 33.601 ( 0.639 -5.408 -4.818) 7.271 ======================= Grid point 427 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -0.000 -0.587 9.143) 9.162 2.139 ( -0.000 -1.934 -12.509) 12.657 3.074 ( 0.000 24.360 12.703) 27.473 3.248 ( 0.000 26.369 -5.198) 26.877 4.266 ( 0.000 1.788 18.283) 18.370 4.706 ( 0.000 4.614 -21.866) 22.347 4.845 ( 0.000 9.837 7.786) 12.546 4.991 ( 0.000 4.228 -6.039) 7.371 5.773 ( 0.000 1.320 11.210) 11.287 6.011 ( -0.000 -4.679 -10.654) 11.636 6.405 ( 0.000 4.331 13.306) 13.993 6.655 ( 0.000 1.673 -9.318) 9.467 7.785 ( -0.000 -7.209 4.879) 8.705 7.845 ( -0.000 -3.176 6.308) 7.063 7.928 ( -0.000 -5.500 -8.648) 10.249 8.027 ( -0.000 -6.720 -9.780) 11.867 10.097 ( -0.000 -19.960 16.084) 25.634 10.414 ( -0.000 -17.193 -14.088) 22.228 13.323 ( 0.000 5.847 6.039) 8.406 13.449 ( 0.000 10.987 -5.868) 12.456 13.548 ( 0.000 0.257 12.484) 12.487 13.812 ( 0.000 1.062 -12.413) 12.458 15.149 ( 0.000 0.029 7.613) 7.613 15.300 ( 0.000 0.938 -6.729) 6.794 15.680 ( 0.000 0.753 2.177) 2.303 15.746 ( 0.000 1.057 -4.160) 4.292 18.960 ( -0.000 -3.802 6.458) 7.494 19.072 ( -0.000 -5.990 -4.176) 7.302 26.457 ( 0.000 2.203 5.607) 6.024 26.579 ( 0.000 2.297 -5.830) 6.266 27.845 ( 0.000 1.625 3.298) 3.677 27.916 ( 0.000 1.555 -3.393) 3.732 31.686 ( 0.000 16.170 16.328) 22.980 32.075 ( 0.000 15.433 -20.310) 25.509 33.569 ( -0.000 -9.477 6.493) 11.488 33.682 ( -0.000 -7.524 -4.069) 8.554 ======================= Grid point 436 (143/144) ======================= q-point: ( 0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -20.405 0.000 3.912) 20.776 2.223 ( -12.737 0.000 -8.271) 15.187 3.597 ( -0.557 0.000 19.840) 19.848 3.868 ( 3.409 -0.000 -10.039) 10.602 4.112 ( 0.951 -0.000 28.017) 28.033 4.815 ( -0.356 0.000 -34.063) 34.065 5.075 ( -6.830 0.000 4.170) 8.002 5.130 ( -9.153 0.000 -1.137) 9.223 5.687 ( 14.392 -0.000 1.289) 14.450 5.718 ( 10.766 -0.000 -1.359) 10.851 6.657 ( -16.228 0.000 8.737) 18.431 6.784 ( -11.784 0.000 -2.627) 12.073 7.640 ( 2.413 -0.000 9.248) 9.558 7.847 ( 2.479 -0.000 -10.432) 10.722 7.852 ( -3.688 0.000 -0.648) 3.744 7.924 ( -4.517 0.000 -6.847) 8.203 9.727 ( -1.828 0.000 17.614) 17.709 10.084 ( -0.087 0.000 -16.390) 16.390 13.392 ( 4.312 -0.000 11.333) 12.126 13.582 ( -3.367 0.000 12.798) 13.233 13.613 ( 4.238 -0.000 -9.437) 10.345 13.852 ( -2.641 0.000 -12.730) 13.001 15.168 ( -2.146 0.000 7.627) 7.923 15.320 ( -0.323 0.000 -6.695) 6.703 15.692 ( -0.138 0.000 2.820) 2.824 15.772 ( -1.138 0.000 -4.736) 4.871 18.919 ( 0.655 -0.000 0.451) 0.795 18.920 ( 0.990 -0.000 0.548) 1.132 26.529 ( -3.488 0.000 4.478) 5.676 26.625 ( -0.481 0.000 -4.558) 4.584 27.922 ( -5.950 0.000 1.534) 6.145 27.960 ( -3.072 0.000 -1.985) 3.657 31.939 ( 6.032 -0.000 15.688) 16.808 32.311 ( 6.156 -0.000 -19.331) 20.288 33.382 ( -0.411 0.000 8.735) 8.745 33.537 ( 0.351 -0.000 -5.773) 5.784 ======================= Grid point 438 (144/144) ======================= q-point: (-0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.000 -0.164 7.388) 7.390 2.107 ( -0.000 -0.763 -12.179) 12.203 3.522 ( 0.000 12.467 21.038) 24.455 3.776 ( 0.000 17.752 -5.359) 18.543 4.190 ( -0.000 -7.646 20.037) 21.446 4.796 ( 0.000 2.871 -31.460) 31.591 4.994 ( 0.000 3.463 3.872) 5.194 5.043 ( 0.000 0.760 -0.776) 1.086 5.794 ( 0.000 1.301 3.918) 4.129 5.879 ( -0.000 -5.967 -4.117) 7.250 6.489 ( 0.000 2.378 12.058) 12.290 6.676 ( 0.000 0.255 -4.931) 4.937 7.673 ( -0.000 -2.153 8.548) 8.814 7.815 ( 0.000 0.267 -0.061) 0.274 7.873 ( -0.000 -0.521 -10.502) 10.515 7.905 ( -0.000 -3.684 -7.631) 8.474 9.760 ( -0.000 -8.419 18.027) 19.896 10.124 ( -0.000 -7.210 -16.740) 18.227 13.417 ( 0.000 2.223 10.628) 10.858 13.552 ( 0.000 0.106 13.129) 13.130 13.626 ( 0.000 4.167 -9.042) 9.956 13.827 ( 0.000 0.339 -12.870) 12.874 15.149 ( 0.000 0.020 8.323) 8.323 15.315 ( 0.000 0.340 -7.353) 7.361 15.690 ( 0.000 0.190 2.323) 2.331 15.760 ( 0.000 0.293 -4.336) 4.346 18.916 ( -0.000 -0.021 2.617) 2.618 18.959 ( -0.000 -3.672 -1.432) 3.941 26.493 ( 0.000 0.825 5.687) 5.747 26.616 ( 0.000 0.864 -5.899) 5.962 27.868 ( 0.000 0.463 2.944) 2.981 27.933 ( 0.000 0.186 -3.176) 3.181 31.953 ( 0.000 6.541 15.857) 17.153 32.329 ( 0.000 6.213 -19.389) 20.360 33.404 ( -0.000 -4.296 8.584) 9.599 33.558 ( -0.000 -3.071 -5.825) 6.585 =================== 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 3/30492 10.0 3851.372 3765.787 3854.609 0.000 0.000 0.000 3/30492 20.0 1018.124 592.567 774.075 0.000 0.000 -0.000 3/30492 30.0 393.001 215.634 284.194 0.000 0.000 -0.000 3/30492 40.0 207.594 111.940 147.061 0.000 0.000 -0.000 3/30492 50.0 131.855 70.414 92.483 0.000 0.000 -0.000 3/30492 60.0 93.692 49.610 65.202 0.000 0.000 -0.000 3/30492 70.0 71.595 37.602 49.431 0.000 0.000 -0.000 3/30492 80.0 57.499 29.975 39.380 0.000 0.000 -0.000 3/30492 90.0 47.850 24.784 32.518 0.000 0.000 -0.000 3/30492 100.0 40.887 21.062 27.588 0.000 0.000 -0.000 3/30492 110.0 35.653 18.284 23.902 0.000 0.000 -0.000 3/30492 120.0 31.589 16.141 21.060 0.000 0.000 -0.000 3/30492 130.0 28.350 14.444 18.810 0.000 0.000 -0.000 3/30492 140.0 25.714 13.071 16.991 0.000 0.000 -0.000 3/30492 150.0 23.530 11.938 15.493 0.000 0.000 -0.000 3/30492 160.0 21.691 10.989 14.241 0.000 0.000 -0.000 3/30492 170.0 20.124 10.183 13.180 0.000 0.000 -0.000 3/30492 180.0 18.773 9.491 12.270 0.000 0.000 -0.000 3/30492 190.0 17.597 8.891 11.483 0.000 0.000 -0.000 3/30492 200.0 16.564 8.365 10.794 0.000 0.000 -0.000 3/30492 210.0 15.649 7.901 10.188 0.000 0.000 -0.000 3/30492 220.0 14.834 7.488 9.650 0.000 0.000 -0.000 3/30492 230.0 14.103 7.119 9.170 0.000 0.000 -0.000 3/30492 240.0 13.444 6.787 8.738 0.000 0.000 -0.000 3/30492 250.0 12.846 6.486 8.349 0.000 0.000 -0.000 3/30492 260.0 12.302 6.213 7.995 0.000 0.000 -0.000 3/30492 270.0 11.804 5.964 7.672 0.000 0.000 -0.000 3/30492 280.0 11.347 5.735 7.377 0.000 0.000 -0.000 3/30492 290.0 10.925 5.525 7.105 0.000 0.000 -0.000 3/30492 300.0 10.535 5.330 6.855 0.000 0.000 -0.000 3/30492 310.0 10.174 5.150 6.623 0.000 0.000 -0.000 3/30492 320.0 9.837 4.983 6.408 0.000 0.000 -0.000 3/30492 330.0 9.523 4.827 6.207 0.000 0.000 -0.000 3/30492 340.0 9.230 4.681 6.020 0.000 0.000 -0.000 3/30492 350.0 8.954 4.545 5.845 0.000 0.000 -0.000 3/30492 360.0 8.696 4.416 5.680 0.000 0.000 -0.000 3/30492 370.0 8.453 4.296 5.525 0.000 0.000 -0.000 3/30492 380.0 8.223 4.182 5.380 0.000 0.000 -0.000 3/30492 390.0 8.006 4.074 5.242 0.000 0.000 -0.000 3/30492 400.0 7.801 3.973 5.111 0.000 0.000 -0.000 3/30492 410.0 7.606 3.876 4.988 0.000 0.000 -0.000 3/30492 420.0 7.421 3.784 4.870 0.000 0.000 -0.000 3/30492 430.0 7.245 3.697 4.759 0.000 0.000 -0.000 3/30492 440.0 7.078 3.614 4.653 0.000 0.000 -0.000 3/30492 450.0 6.918 3.535 4.551 0.000 0.000 -0.000 3/30492 460.0 6.766 3.459 4.454 0.000 0.000 -0.000 3/30492 470.0 6.620 3.387 4.362 0.000 0.000 -0.000 3/30492 480.0 6.481 3.318 4.273 0.000 0.000 -0.000 3/30492 490.0 6.348 3.251 4.188 0.000 0.000 -0.000 3/30492 500.0 6.220 3.188 4.107 0.000 0.000 -0.000 3/30492 510.0 6.097 3.126 4.029 0.000 0.000 -0.000 3/30492 520.0 5.979 3.068 3.953 0.000 0.000 -0.000 3/30492 530.0 5.866 3.011 3.881 0.000 0.000 -0.000 3/30492 540.0 5.757 2.957 3.811 0.000 0.000 -0.000 3/30492 550.0 5.652 2.904 3.744 0.000 0.000 -0.000 3/30492 560.0 5.551 2.854 3.680 0.000 0.000 -0.000 3/30492 570.0 5.453 2.805 3.617 0.000 0.000 -0.000 3/30492 580.0 5.359 2.758 3.557 0.000 0.000 -0.000 3/30492 590.0 5.268 2.712 3.499 0.000 0.000 -0.000 3/30492 600.0 5.181 2.668 3.442 0.000 0.000 -0.000 3/30492 610.0 5.096 2.626 3.388 0.000 0.000 -0.000 3/30492 620.0 5.014 2.585 3.335 0.000 0.000 -0.000 3/30492 630.0 4.934 2.545 3.284 0.000 0.000 -0.000 3/30492 640.0 4.857 2.506 3.234 0.000 0.000 -0.000 3/30492 650.0 4.783 2.468 3.186 0.000 0.000 -0.000 3/30492 660.0 4.710 2.432 3.139 0.000 0.000 -0.000 3/30492 670.0 4.640 2.397 3.094 0.000 0.000 -0.000 3/30492 680.0 4.572 2.362 3.050 0.000 0.000 -0.000 3/30492 690.0 4.506 2.329 3.007 0.000 0.000 -0.000 3/30492 700.0 4.442 2.297 2.966 0.000 0.000 -0.000 3/30492 710.0 4.380 2.265 2.925 0.000 0.000 -0.000 3/30492 720.0 4.319 2.234 2.886 0.000 0.000 -0.000 3/30492 730.0 4.260 2.205 2.848 0.000 0.000 -0.000 3/30492 740.0 4.203 2.176 2.810 0.000 0.000 -0.000 3/30492 750.0 4.147 2.147 2.774 0.000 0.000 -0.000 3/30492 760.0 4.093 2.120 2.739 0.000 0.000 -0.000 3/30492 770.0 4.040 2.093 2.704 0.000 0.000 -0.000 3/30492 780.0 3.988 2.067 2.671 0.000 0.000 -0.000 3/30492 790.0 3.938 2.041 2.638 0.000 0.000 -0.000 3/30492 800.0 3.889 2.016 2.606 0.000 0.000 -0.000 3/30492 810.0 3.841 1.992 2.575 0.000 0.000 -0.000 3/30492 820.0 3.795 1.968 2.544 0.000 0.000 -0.000 3/30492 830.0 3.749 1.945 2.514 0.000 0.000 -0.000 3/30492 840.0 3.705 1.922 2.485 0.000 0.000 -0.000 3/30492 850.0 3.661 1.900 2.457 0.000 0.000 -0.000 3/30492 860.0 3.619 1.879 2.429 0.000 0.000 -0.000 3/30492 870.0 3.577 1.858 2.402 0.000 0.000 -0.000 3/30492 880.0 3.537 1.837 2.375 0.000 0.000 -0.000 3/30492 890.0 3.497 1.817 2.349 0.000 0.000 -0.000 3/30492 900.0 3.459 1.797 2.324 0.000 0.000 -0.000 3/30492 910.0 3.421 1.778 2.299 0.000 0.000 -0.000 3/30492 920.0 3.384 1.759 2.275 0.000 0.000 -0.000 3/30492 930.0 3.348 1.740 2.251 0.000 0.000 -0.000 3/30492 940.0 3.312 1.722 2.228 0.000 0.000 -0.000 3/30492 950.0 3.278 1.704 2.205 0.000 0.000 -0.000 3/30492 960.0 3.244 1.687 2.182 0.000 0.000 -0.000 3/30492 970.0 3.210 1.670 2.160 0.000 0.000 -0.000 3/30492 980.0 3.178 1.653 2.139 0.000 0.000 -0.000 3/30492 990.0 3.146 1.637 2.118 0.000 0.000 -0.000 3/30492 1000.0 3.114 1.621 2.097 0.000 0.000 -0.000 3/30492 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:27:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|