----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:11:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 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: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.872132185000001 -6.226418000000000 0.000000000000000 b 1.872132185000001 6.226418000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.364336050000000 Atomic positions (fractional): *1 Dy 0.75881941192638 0.24118058807362 0.25000000000000 162.500 2 Dy 0.24118058807362 0.75881941192638 0.75000000000000 162.500 *3 Cl 0.40690023787994 0.59309976212006 0.25000000000000 35.453 4 Cl 0.59309976212006 0.40690023787994 0.75000000000000 35.453 *5 Cl 0.84620295533441 0.15379704466559 0.93308440561803 35.453 6 Cl 0.15379704466559 0.84620295533441 0.06691559438197 35.453 7 Cl 0.15379704466559 0.84620295533441 0.43308440561803 35.453 8 Cl 0.84620295533441 0.15379704466559 0.56691559438197 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.744264370000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.452836000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.364336050000000 Atomic positions (fractional): *1 Dy 0.00000000000000 0.24118058807362 0.25000000000000 162.500 > 1 2 Dy 0.50000000000000 0.25881941192638 0.75000000000000 162.500 > 2 3 Dy 0.50000000000000 0.74118058807362 0.25000000000000 162.500 > 1 4 Dy 0.00000000000000 0.75881941192638 0.75000000000000 162.500 > 2 *5 Cl 0.50000000000000 0.09309976212006 0.25000000000000 35.453 > 3 6 Cl 0.00000000000000 0.40690023787994 0.75000000000000 35.453 > 4 *7 Cl 0.00000000000000 0.15379704466559 0.93308440561803 35.453 > 5 8 Cl 0.50000000000000 0.34620295533441 0.06691559438197 35.453 > 6 9 Cl 0.50000000000000 0.34620295533441 0.43308440561803 35.453 > 7 10 Cl 0.00000000000000 0.15379704466559 0.56691559438197 35.453 > 8 11 Cl 0.00000000000000 0.59309976212006 0.25000000000000 35.453 > 3 12 Cl 0.50000000000000 0.90690023787994 0.75000000000000 35.453 > 4 13 Cl 0.50000000000000 0.65379704466559 0.93308440561803 35.453 > 5 14 Cl 0.00000000000000 0.84620295533441 0.06691559438197 35.453 > 6 15 Cl 0.00000000000000 0.84620295533441 0.43308440561803 35.453 > 7 16 Cl 0.50000000000000 0.65379704466559 0.56691559438197 35.453 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.977057480000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.452836000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.728672100000001 Atomic positions (fractional): *1 Dy 0.00000000000000 0.24118058807362 0.12500000000000 162.500 > 1 2 Dy 0.25000000000000 0.24118058807362 0.12500000000000 162.500 > 1 3 Dy 0.50000000000000 0.24118058807362 0.12500000000000 162.500 > 1 4 Dy 0.75000000000000 0.24118058807362 0.12500000000000 162.500 > 1 5 Dy 0.00000000000000 0.24118058807362 0.62500000000000 162.500 > 1 6 Dy 0.25000000000000 0.24118058807362 0.62500000000000 162.500 > 1 7 Dy 0.50000000000000 0.24118058807362 0.62500000000000 162.500 > 1 8 Dy 0.75000000000000 0.24118058807362 0.62500000000000 162.500 > 1 9 Dy 0.12500000000000 0.25881941192638 0.37500000000000 162.500 > 2 10 Dy 0.37500000000000 0.25881941192638 0.37500000000000 162.500 > 2 11 Dy 0.62500000000000 0.25881941192638 0.37500000000000 162.500 > 2 12 Dy 0.87500000000000 0.25881941192638 0.37500000000000 162.500 > 2 13 Dy 0.12500000000000 0.25881941192638 0.87500000000000 162.500 > 2 14 Dy 0.37500000000000 0.25881941192638 0.87500000000000 162.500 > 2 15 Dy 0.62500000000000 0.25881941192638 0.87500000000000 162.500 > 2 16 Dy 0.87500000000000 0.25881941192638 0.87500000000000 162.500 > 2 17 Dy 0.12500000000000 0.74118058807362 0.12500000000000 162.500 > 1 18 Dy 0.37500000000000 0.74118058807362 0.12500000000000 162.500 > 1 19 Dy 0.62500000000000 0.74118058807362 0.12500000000000 162.500 > 1 20 Dy 0.87500000000000 0.74118058807362 0.12500000000000 162.500 > 1 21 Dy 0.12500000000000 0.74118058807362 0.62500000000000 162.500 > 1 22 Dy 0.37500000000000 0.74118058807362 0.62500000000000 162.500 > 1 23 Dy 0.62500000000000 0.74118058807362 0.62500000000000 162.500 > 1 24 Dy 0.87500000000000 0.74118058807362 0.62500000000000 162.500 > 1 25 Dy 0.00000000000000 0.75881941192638 0.37500000000000 162.500 > 2 26 Dy 0.25000000000000 0.75881941192638 0.37500000000000 162.500 > 2 27 Dy 0.50000000000000 0.75881941192638 0.37500000000000 162.500 > 2 28 Dy 0.75000000000000 0.75881941192638 0.37500000000000 162.500 > 2 29 Dy 0.00000000000000 0.75881941192638 0.87500000000000 162.500 > 2 30 Dy 0.25000000000000 0.75881941192638 0.87500000000000 162.500 > 2 31 Dy 0.50000000000000 0.75881941192638 0.87500000000000 162.500 > 2 32 Dy 0.75000000000000 0.75881941192638 0.87500000000000 162.500 > 2 *33 Cl 0.12500000000000 0.09309976212006 0.12500000000000 35.453 > 3 34 Cl 0.37500000000000 0.09309976212006 0.12500000000000 35.453 > 3 35 Cl 0.62500000000000 0.09309976212006 0.12500000000000 35.453 > 3 36 Cl 0.87500000000000 0.09309976212006 0.12500000000000 35.453 > 3 37 Cl 0.12500000000000 0.09309976212006 0.62500000000000 35.453 > 3 38 Cl 0.37500000000000 0.09309976212006 0.62500000000000 35.453 > 3 39 Cl 0.62500000000000 0.09309976212006 0.62500000000000 35.453 > 3 40 Cl 0.87500000000000 0.09309976212006 0.62500000000000 35.453 > 3 41 Cl 0.00000000000000 0.40690023787994 0.37500000000000 35.453 > 4 42 Cl 0.25000000000000 0.40690023787994 0.37500000000000 35.453 > 4 43 Cl 0.50000000000000 0.40690023787994 0.37500000000000 35.453 > 4 44 Cl 0.75000000000000 0.40690023787994 0.37500000000000 35.453 > 4 45 Cl 0.00000000000000 0.40690023787994 0.87500000000000 35.453 > 4 46 Cl 0.25000000000000 0.40690023787994 0.87500000000000 35.453 > 4 47 Cl 0.50000000000000 0.40690023787994 0.87500000000000 35.453 > 4 48 Cl 0.75000000000000 0.40690023787994 0.87500000000000 35.453 > 4 *49 Cl 0.00000000000000 0.15379704466559 0.46654220280901 35.453 > 5 50 Cl 0.25000000000000 0.15379704466559 0.46654220280901 35.453 > 5 51 Cl 0.50000000000000 0.15379704466559 0.46654220280901 35.453 > 5 52 Cl 0.75000000000000 0.15379704466559 0.46654220280901 35.453 > 5 53 Cl 0.00000000000000 0.15379704466559 0.96654220280901 35.453 > 5 54 Cl 0.25000000000000 0.15379704466559 0.96654220280901 35.453 > 5 55 Cl 0.50000000000000 0.15379704466559 0.96654220280901 35.453 > 5 56 Cl 0.75000000000000 0.15379704466559 0.96654220280901 35.453 > 5 57 Cl 0.12500000000000 0.34620295533441 0.03345779719099 35.453 > 6 58 Cl 0.37500000000000 0.34620295533441 0.03345779719099 35.453 > 6 59 Cl 0.62500000000000 0.34620295533441 0.03345779719099 35.453 > 6 60 Cl 0.87500000000000 0.34620295533441 0.03345779719099 35.453 > 6 61 Cl 0.12500000000000 0.34620295533441 0.53345779719099 35.453 > 6 62 Cl 0.37500000000000 0.34620295533441 0.53345779719099 35.453 > 6 63 Cl 0.62500000000000 0.34620295533441 0.53345779719099 35.453 > 6 64 Cl 0.87500000000000 0.34620295533441 0.53345779719099 35.453 > 6 65 Cl 0.12500000000000 0.34620295533441 0.21654220280901 35.453 > 7 66 Cl 0.37500000000000 0.34620295533441 0.21654220280901 35.453 > 7 67 Cl 0.62500000000000 0.34620295533441 0.21654220280901 35.453 > 7 68 Cl 0.87500000000000 0.34620295533441 0.21654220280901 35.453 > 7 69 Cl 0.12500000000000 0.34620295533441 0.71654220280901 35.453 > 7 70 Cl 0.37500000000000 0.34620295533441 0.71654220280901 35.453 > 7 71 Cl 0.62500000000000 0.34620295533441 0.71654220280901 35.453 > 7 72 Cl 0.87500000000000 0.34620295533441 0.71654220280901 35.453 > 7 73 Cl 0.00000000000000 0.15379704466559 0.28345779719099 35.453 > 8 74 Cl 0.25000000000000 0.15379704466559 0.28345779719099 35.453 > 8 75 Cl 0.50000000000000 0.15379704466559 0.28345779719099 35.453 > 8 76 Cl 0.75000000000000 0.15379704466559 0.28345779719099 35.453 > 8 77 Cl 0.00000000000000 0.15379704466559 0.78345779719099 35.453 > 8 78 Cl 0.25000000000000 0.15379704466559 0.78345779719099 35.453 > 8 79 Cl 0.50000000000000 0.15379704466559 0.78345779719099 35.453 > 8 80 Cl 0.75000000000000 0.15379704466559 0.78345779719099 35.453 > 8 81 Cl 0.00000000000000 0.59309976212006 0.12500000000000 35.453 > 3 82 Cl 0.25000000000000 0.59309976212006 0.12500000000000 35.453 > 3 83 Cl 0.50000000000000 0.59309976212006 0.12500000000000 35.453 > 3 84 Cl 0.75000000000000 0.59309976212006 0.12500000000000 35.453 > 3 85 Cl 0.00000000000000 0.59309976212006 0.62500000000000 35.453 > 3 86 Cl 0.25000000000000 0.59309976212006 0.62500000000000 35.453 > 3 87 Cl 0.50000000000000 0.59309976212006 0.62500000000000 35.453 > 3 88 Cl 0.75000000000000 0.59309976212006 0.62500000000000 35.453 > 3 89 Cl 0.12500000000000 0.90690023787994 0.37500000000000 35.453 > 4 90 Cl 0.37500000000000 0.90690023787994 0.37500000000000 35.453 > 4 91 Cl 0.62500000000000 0.90690023787994 0.37500000000000 35.453 > 4 92 Cl 0.87500000000000 0.90690023787994 0.37500000000000 35.453 > 4 93 Cl 0.12500000000000 0.90690023787994 0.87500000000000 35.453 > 4 94 Cl 0.37500000000000 0.90690023787994 0.87500000000000 35.453 > 4 95 Cl 0.62500000000000 0.90690023787994 0.87500000000000 35.453 > 4 96 Cl 0.87500000000000 0.90690023787994 0.87500000000000 35.453 > 4 97 Cl 0.12500000000000 0.65379704466559 0.46654220280901 35.453 > 5 98 Cl 0.37500000000000 0.65379704466559 0.46654220280901 35.453 > 5 99 Cl 0.62500000000000 0.65379704466559 0.46654220280901 35.453 > 5 100 Cl 0.87500000000000 0.65379704466559 0.46654220280901 35.453 > 5 101 Cl 0.12500000000000 0.65379704466559 0.96654220280901 35.453 > 5 102 Cl 0.37500000000000 0.65379704466559 0.96654220280901 35.453 > 5 103 Cl 0.62500000000000 0.65379704466559 0.96654220280901 35.453 > 5 104 Cl 0.87500000000000 0.65379704466559 0.96654220280901 35.453 > 5 105 Cl 0.00000000000000 0.84620295533441 0.03345779719099 35.453 > 6 106 Cl 0.25000000000000 0.84620295533441 0.03345779719099 35.453 > 6 107 Cl 0.50000000000000 0.84620295533441 0.03345779719099 35.453 > 6 108 Cl 0.75000000000000 0.84620295533441 0.03345779719099 35.453 > 6 109 Cl 0.00000000000000 0.84620295533441 0.53345779719099 35.453 > 6 110 Cl 0.25000000000000 0.84620295533441 0.53345779719099 35.453 > 6 111 Cl 0.50000000000000 0.84620295533441 0.53345779719099 35.453 > 6 112 Cl 0.75000000000000 0.84620295533441 0.53345779719099 35.453 > 6 113 Cl 0.00000000000000 0.84620295533441 0.21654220280901 35.453 > 7 114 Cl 0.25000000000000 0.84620295533441 0.21654220280901 35.453 > 7 115 Cl 0.50000000000000 0.84620295533441 0.21654220280901 35.453 > 7 116 Cl 0.75000000000000 0.84620295533441 0.21654220280901 35.453 > 7 117 Cl 0.00000000000000 0.84620295533441 0.71654220280901 35.453 > 7 118 Cl 0.25000000000000 0.84620295533441 0.71654220280901 35.453 > 7 119 Cl 0.50000000000000 0.84620295533441 0.71654220280901 35.453 > 7 120 Cl 0.75000000000000 0.84620295533441 0.71654220280901 35.453 > 7 121 Cl 0.12500000000000 0.65379704466559 0.28345779719099 35.453 > 8 122 Cl 0.37500000000000 0.65379704466559 0.28345779719099 35.453 > 8 123 Cl 0.62500000000000 0.65379704466559 0.28345779719099 35.453 > 8 124 Cl 0.87500000000000 0.65379704466559 0.28345779719099 35.453 > 8 125 Cl 0.12500000000000 0.65379704466559 0.78345779719099 35.453 > 8 126 Cl 0.37500000000000 0.65379704466559 0.78345779719099 35.453 > 8 127 Cl 0.62500000000000 0.65379704466559 0.78345779719099 35.453 > 8 128 Cl 0.87500000000000 0.65379704466559 0.78345779719099 35.453 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0289629 0.0000000 0.0000000 0.0000000 3.0424287 0.0000000 0.0000000 0.0000000 3.9674268 -------------------------- Born effective charges -------------------------- 1 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 2 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 3 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 4 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 5 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 6 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 7 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 8 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.709 Solver_block: 160 / 160 - Time: 0.465 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.188 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:11:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:11:13]------------------------- 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): [4 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 1.872132185000001 -6.226418000000000 0.000000000000000 b 1.872132185000001 6.226418000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.364336050000000 Atomic positions (fractional): 1 Dy 0.75881941192638 0.24118058807362 0.25000000000000 162.500 2 Dy 0.24118058807362 0.75881941192638 0.75000000000000 162.500 3 Cl 0.40690023787994 0.59309976212006 0.25000000000000 35.453 4 Cl 0.59309976212006 0.40690023787994 0.75000000000000 35.453 5 Cl 0.84620295533441 0.15379704466559 0.93308440561803 35.453 6 Cl 0.15379704466559 0.84620295533441 0.06691559438197 35.453 7 Cl 0.15379704466559 0.84620295533441 0.43308440561803 35.453 8 Cl 0.84620295533441 0.15379704466559 0.56691559438197 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.977057480000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.452836000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.728672100000001 Atomic positions (fractional): 1 Dy 0.00000000000000 0.24118058807362 0.12500000000000 162.500 > 1 2 Dy 0.25000000000000 0.24118058807362 0.12500000000000 162.500 > 1 3 Dy 0.50000000000000 0.24118058807362 0.12500000000000 162.500 > 1 4 Dy 0.75000000000000 0.24118058807362 0.12500000000000 162.500 > 1 5 Dy 0.00000000000000 0.24118058807362 0.62500000000000 162.500 > 1 6 Dy 0.25000000000000 0.24118058807362 0.62500000000000 162.500 > 1 7 Dy 0.50000000000000 0.24118058807362 0.62500000000000 162.500 > 1 8 Dy 0.75000000000000 0.24118058807362 0.62500000000000 162.500 > 1 9 Dy 0.12500000000000 0.25881941192638 0.37500000000000 162.500 > 9 10 Dy 0.37500000000000 0.25881941192638 0.37500000000000 162.500 > 9 11 Dy 0.62500000000000 0.25881941192638 0.37500000000000 162.500 > 9 12 Dy 0.87500000000000 0.25881941192638 0.37500000000000 162.500 > 9 13 Dy 0.12500000000000 0.25881941192638 0.87500000000000 162.500 > 9 14 Dy 0.37500000000000 0.25881941192638 0.87500000000000 162.500 > 9 15 Dy 0.62500000000000 0.25881941192638 0.87500000000000 162.500 > 9 16 Dy 0.87500000000000 0.25881941192638 0.87500000000000 162.500 > 9 17 Dy 0.12500000000000 0.74118058807362 0.12500000000000 162.500 > 1 18 Dy 0.37500000000000 0.74118058807362 0.12500000000000 162.500 > 1 19 Dy 0.62500000000000 0.74118058807362 0.12500000000000 162.500 > 1 20 Dy 0.87500000000000 0.74118058807362 0.12500000000000 162.500 > 1 21 Dy 0.12500000000000 0.74118058807362 0.62500000000000 162.500 > 1 22 Dy 0.37500000000000 0.74118058807362 0.62500000000000 162.500 > 1 23 Dy 0.62500000000000 0.74118058807362 0.62500000000000 162.500 > 1 24 Dy 0.87500000000000 0.74118058807362 0.62500000000000 162.500 > 1 25 Dy 0.00000000000000 0.75881941192638 0.37500000000000 162.500 > 9 26 Dy 0.25000000000000 0.75881941192638 0.37500000000000 162.500 > 9 27 Dy 0.50000000000000 0.75881941192638 0.37500000000000 162.500 > 9 28 Dy 0.75000000000000 0.75881941192638 0.37500000000000 162.500 > 9 29 Dy 0.00000000000000 0.75881941192638 0.87500000000000 162.500 > 9 30 Dy 0.25000000000000 0.75881941192638 0.87500000000000 162.500 > 9 31 Dy 0.50000000000000 0.75881941192638 0.87500000000000 162.500 > 9 32 Dy 0.75000000000000 0.75881941192638 0.87500000000000 162.500 > 9 33 Cl 0.12500000000000 0.09309976212006 0.12500000000000 35.453 > 33 34 Cl 0.37500000000000 0.09309976212006 0.12500000000000 35.453 > 33 35 Cl 0.62500000000000 0.09309976212006 0.12500000000000 35.453 > 33 36 Cl 0.87500000000000 0.09309976212006 0.12500000000000 35.453 > 33 37 Cl 0.12500000000000 0.09309976212006 0.62500000000000 35.453 > 33 38 Cl 0.37500000000000 0.09309976212006 0.62500000000000 35.453 > 33 39 Cl 0.62500000000000 0.09309976212006 0.62500000000000 35.453 > 33 40 Cl 0.87500000000000 0.09309976212006 0.62500000000000 35.453 > 33 41 Cl 0.00000000000000 0.40690023787994 0.37500000000000 35.453 > 41 42 Cl 0.25000000000000 0.40690023787994 0.37500000000000 35.453 > 41 43 Cl 0.50000000000000 0.40690023787994 0.37500000000000 35.453 > 41 44 Cl 0.75000000000000 0.40690023787994 0.37500000000000 35.453 > 41 45 Cl 0.00000000000000 0.40690023787994 0.87500000000000 35.453 > 41 46 Cl 0.25000000000000 0.40690023787994 0.87500000000000 35.453 > 41 47 Cl 0.50000000000000 0.40690023787994 0.87500000000000 35.453 > 41 48 Cl 0.75000000000000 0.40690023787994 0.87500000000000 35.453 > 41 49 Cl 0.00000000000000 0.15379704466559 0.46654220280901 35.453 > 49 50 Cl 0.25000000000000 0.15379704466559 0.46654220280901 35.453 > 49 51 Cl 0.50000000000000 0.15379704466559 0.46654220280901 35.453 > 49 52 Cl 0.75000000000000 0.15379704466559 0.46654220280901 35.453 > 49 53 Cl 0.00000000000000 0.15379704466559 0.96654220280901 35.453 > 49 54 Cl 0.25000000000000 0.15379704466559 0.96654220280901 35.453 > 49 55 Cl 0.50000000000000 0.15379704466559 0.96654220280901 35.453 > 49 56 Cl 0.75000000000000 0.15379704466559 0.96654220280901 35.453 > 49 57 Cl 0.12500000000000 0.34620295533441 0.03345779719099 35.453 > 57 58 Cl 0.37500000000000 0.34620295533441 0.03345779719099 35.453 > 57 59 Cl 0.62500000000000 0.34620295533441 0.03345779719099 35.453 > 57 60 Cl 0.87500000000000 0.34620295533441 0.03345779719099 35.453 > 57 61 Cl 0.12500000000000 0.34620295533441 0.53345779719099 35.453 > 57 62 Cl 0.37500000000000 0.34620295533441 0.53345779719099 35.453 > 57 63 Cl 0.62500000000000 0.34620295533441 0.53345779719099 35.453 > 57 64 Cl 0.87500000000000 0.34620295533441 0.53345779719099 35.453 > 57 65 Cl 0.12500000000000 0.34620295533441 0.21654220280901 35.453 > 65 66 Cl 0.37500000000000 0.34620295533441 0.21654220280901 35.453 > 65 67 Cl 0.62500000000000 0.34620295533441 0.21654220280901 35.453 > 65 68 Cl 0.87500000000000 0.34620295533441 0.21654220280901 35.453 > 65 69 Cl 0.12500000000000 0.34620295533441 0.71654220280901 35.453 > 65 70 Cl 0.37500000000000 0.34620295533441 0.71654220280901 35.453 > 65 71 Cl 0.62500000000000 0.34620295533441 0.71654220280901 35.453 > 65 72 Cl 0.87500000000000 0.34620295533441 0.71654220280901 35.453 > 65 73 Cl 0.00000000000000 0.15379704466559 0.28345779719099 35.453 > 73 74 Cl 0.25000000000000 0.15379704466559 0.28345779719099 35.453 > 73 75 Cl 0.50000000000000 0.15379704466559 0.28345779719099 35.453 > 73 76 Cl 0.75000000000000 0.15379704466559 0.28345779719099 35.453 > 73 77 Cl 0.00000000000000 0.15379704466559 0.78345779719099 35.453 > 73 78 Cl 0.25000000000000 0.15379704466559 0.78345779719099 35.453 > 73 79 Cl 0.50000000000000 0.15379704466559 0.78345779719099 35.453 > 73 80 Cl 0.75000000000000 0.15379704466559 0.78345779719099 35.453 > 73 81 Cl 0.00000000000000 0.59309976212006 0.12500000000000 35.453 > 33 82 Cl 0.25000000000000 0.59309976212006 0.12500000000000 35.453 > 33 83 Cl 0.50000000000000 0.59309976212006 0.12500000000000 35.453 > 33 84 Cl 0.75000000000000 0.59309976212006 0.12500000000000 35.453 > 33 85 Cl 0.00000000000000 0.59309976212006 0.62500000000000 35.453 > 33 86 Cl 0.25000000000000 0.59309976212006 0.62500000000000 35.453 > 33 87 Cl 0.50000000000000 0.59309976212006 0.62500000000000 35.453 > 33 88 Cl 0.75000000000000 0.59309976212006 0.62500000000000 35.453 > 33 89 Cl 0.12500000000000 0.90690023787994 0.37500000000000 35.453 > 41 90 Cl 0.37500000000000 0.90690023787994 0.37500000000000 35.453 > 41 91 Cl 0.62500000000000 0.90690023787994 0.37500000000000 35.453 > 41 92 Cl 0.87500000000000 0.90690023787994 0.37500000000000 35.453 > 41 93 Cl 0.12500000000000 0.90690023787994 0.87500000000000 35.453 > 41 94 Cl 0.37500000000000 0.90690023787994 0.87500000000000 35.453 > 41 95 Cl 0.62500000000000 0.90690023787994 0.87500000000000 35.453 > 41 96 Cl 0.87500000000000 0.90690023787994 0.87500000000000 35.453 > 41 97 Cl 0.12500000000000 0.65379704466559 0.46654220280901 35.453 > 49 98 Cl 0.37500000000000 0.65379704466559 0.46654220280901 35.453 > 49 99 Cl 0.62500000000000 0.65379704466559 0.46654220280901 35.453 > 49 100 Cl 0.87500000000000 0.65379704466559 0.46654220280901 35.453 > 49 101 Cl 0.12500000000000 0.65379704466559 0.96654220280901 35.453 > 49 102 Cl 0.37500000000000 0.65379704466559 0.96654220280901 35.453 > 49 103 Cl 0.62500000000000 0.65379704466559 0.96654220280901 35.453 > 49 104 Cl 0.87500000000000 0.65379704466559 0.96654220280901 35.453 > 49 105 Cl 0.00000000000000 0.84620295533441 0.03345779719099 35.453 > 57 106 Cl 0.25000000000000 0.84620295533441 0.03345779719099 35.453 > 57 107 Cl 0.50000000000000 0.84620295533441 0.03345779719099 35.453 > 57 108 Cl 0.75000000000000 0.84620295533441 0.03345779719099 35.453 > 57 109 Cl 0.00000000000000 0.84620295533441 0.53345779719099 35.453 > 57 110 Cl 0.25000000000000 0.84620295533441 0.53345779719099 35.453 > 57 111 Cl 0.50000000000000 0.84620295533441 0.53345779719099 35.453 > 57 112 Cl 0.75000000000000 0.84620295533441 0.53345779719099 35.453 > 57 113 Cl 0.00000000000000 0.84620295533441 0.21654220280901 35.453 > 65 114 Cl 0.25000000000000 0.84620295533441 0.21654220280901 35.453 > 65 115 Cl 0.50000000000000 0.84620295533441 0.21654220280901 35.453 > 65 116 Cl 0.75000000000000 0.84620295533441 0.21654220280901 35.453 > 65 117 Cl 0.00000000000000 0.84620295533441 0.71654220280901 35.453 > 65 118 Cl 0.25000000000000 0.84620295533441 0.71654220280901 35.453 > 65 119 Cl 0.50000000000000 0.84620295533441 0.71654220280901 35.453 > 65 120 Cl 0.75000000000000 0.84620295533441 0.71654220280901 35.453 > 65 121 Cl 0.12500000000000 0.65379704466559 0.28345779719099 35.453 > 73 122 Cl 0.37500000000000 0.65379704466559 0.28345779719099 35.453 > 73 123 Cl 0.62500000000000 0.65379704466559 0.28345779719099 35.453 > 73 124 Cl 0.87500000000000 0.65379704466559 0.28345779719099 35.453 > 73 125 Cl 0.12500000000000 0.65379704466559 0.78345779719099 35.453 > 73 126 Cl 0.37500000000000 0.65379704466559 0.78345779719099 35.453 > 73 127 Cl 0.62500000000000 0.65379704466559 0.78345779719099 35.453 > 73 128 Cl 0.87500000000000 0.65379704466559 0.78345779719099 35.453 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0289629 0.0000000 0.0000000 0.0000000 3.0424287 0.0000000 0.0000000 0.0000000 3.9674268 -------------------------- Born effective charges -------------------------- 1 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 2 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 3 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 4 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 5 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 6 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 7 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 8 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:11:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:11:24]------------------------- 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): [4 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 1.872132185000001 -6.226418000000000 0.000000000000000 b 1.872132185000001 6.226418000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.364336050000000 Atomic positions (fractional): 1 Dy 0.75881941192638 0.24118058807362 0.25000000000000 162.500 2 Dy 0.24118058807362 0.75881941192638 0.75000000000000 162.500 3 Cl 0.40690023787994 0.59309976212006 0.25000000000000 35.453 4 Cl 0.59309976212006 0.40690023787994 0.75000000000000 35.453 5 Cl 0.84620295533441 0.15379704466559 0.93308440561803 35.453 6 Cl 0.15379704466559 0.84620295533441 0.06691559438197 35.453 7 Cl 0.15379704466559 0.84620295533441 0.43308440561803 35.453 8 Cl 0.84620295533441 0.15379704466559 0.56691559438197 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.977057480000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.452836000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.728672100000001 Atomic positions (fractional): 1 Dy 0.00000000000000 0.24118058807362 0.12500000000000 162.500 > 1 2 Dy 0.25000000000000 0.24118058807362 0.12500000000000 162.500 > 1 3 Dy 0.50000000000000 0.24118058807362 0.12500000000000 162.500 > 1 4 Dy 0.75000000000000 0.24118058807362 0.12500000000000 162.500 > 1 5 Dy 0.00000000000000 0.24118058807362 0.62500000000000 162.500 > 1 6 Dy 0.25000000000000 0.24118058807362 0.62500000000000 162.500 > 1 7 Dy 0.50000000000000 0.24118058807362 0.62500000000000 162.500 > 1 8 Dy 0.75000000000000 0.24118058807362 0.62500000000000 162.500 > 1 9 Dy 0.12500000000000 0.25881941192638 0.37500000000000 162.500 > 9 10 Dy 0.37500000000000 0.25881941192638 0.37500000000000 162.500 > 9 11 Dy 0.62500000000000 0.25881941192638 0.37500000000000 162.500 > 9 12 Dy 0.87500000000000 0.25881941192638 0.37500000000000 162.500 > 9 13 Dy 0.12500000000000 0.25881941192638 0.87500000000000 162.500 > 9 14 Dy 0.37500000000000 0.25881941192638 0.87500000000000 162.500 > 9 15 Dy 0.62500000000000 0.25881941192638 0.87500000000000 162.500 > 9 16 Dy 0.87500000000000 0.25881941192638 0.87500000000000 162.500 > 9 17 Dy 0.12500000000000 0.74118058807362 0.12500000000000 162.500 > 1 18 Dy 0.37500000000000 0.74118058807362 0.12500000000000 162.500 > 1 19 Dy 0.62500000000000 0.74118058807362 0.12500000000000 162.500 > 1 20 Dy 0.87500000000000 0.74118058807362 0.12500000000000 162.500 > 1 21 Dy 0.12500000000000 0.74118058807362 0.62500000000000 162.500 > 1 22 Dy 0.37500000000000 0.74118058807362 0.62500000000000 162.500 > 1 23 Dy 0.62500000000000 0.74118058807362 0.62500000000000 162.500 > 1 24 Dy 0.87500000000000 0.74118058807362 0.62500000000000 162.500 > 1 25 Dy 0.00000000000000 0.75881941192638 0.37500000000000 162.500 > 9 26 Dy 0.25000000000000 0.75881941192638 0.37500000000000 162.500 > 9 27 Dy 0.50000000000000 0.75881941192638 0.37500000000000 162.500 > 9 28 Dy 0.75000000000000 0.75881941192638 0.37500000000000 162.500 > 9 29 Dy 0.00000000000000 0.75881941192638 0.87500000000000 162.500 > 9 30 Dy 0.25000000000000 0.75881941192638 0.87500000000000 162.500 > 9 31 Dy 0.50000000000000 0.75881941192638 0.87500000000000 162.500 > 9 32 Dy 0.75000000000000 0.75881941192638 0.87500000000000 162.500 > 9 33 Cl 0.12500000000000 0.09309976212006 0.12500000000000 35.453 > 33 34 Cl 0.37500000000000 0.09309976212006 0.12500000000000 35.453 > 33 35 Cl 0.62500000000000 0.09309976212006 0.12500000000000 35.453 > 33 36 Cl 0.87500000000000 0.09309976212006 0.12500000000000 35.453 > 33 37 Cl 0.12500000000000 0.09309976212006 0.62500000000000 35.453 > 33 38 Cl 0.37500000000000 0.09309976212006 0.62500000000000 35.453 > 33 39 Cl 0.62500000000000 0.09309976212006 0.62500000000000 35.453 > 33 40 Cl 0.87500000000000 0.09309976212006 0.62500000000000 35.453 > 33 41 Cl 0.00000000000000 0.40690023787994 0.37500000000000 35.453 > 41 42 Cl 0.25000000000000 0.40690023787994 0.37500000000000 35.453 > 41 43 Cl 0.50000000000000 0.40690023787994 0.37500000000000 35.453 > 41 44 Cl 0.75000000000000 0.40690023787994 0.37500000000000 35.453 > 41 45 Cl 0.00000000000000 0.40690023787994 0.87500000000000 35.453 > 41 46 Cl 0.25000000000000 0.40690023787994 0.87500000000000 35.453 > 41 47 Cl 0.50000000000000 0.40690023787994 0.87500000000000 35.453 > 41 48 Cl 0.75000000000000 0.40690023787994 0.87500000000000 35.453 > 41 49 Cl 0.00000000000000 0.15379704466559 0.46654220280901 35.453 > 49 50 Cl 0.25000000000000 0.15379704466559 0.46654220280901 35.453 > 49 51 Cl 0.50000000000000 0.15379704466559 0.46654220280901 35.453 > 49 52 Cl 0.75000000000000 0.15379704466559 0.46654220280901 35.453 > 49 53 Cl 0.00000000000000 0.15379704466559 0.96654220280901 35.453 > 49 54 Cl 0.25000000000000 0.15379704466559 0.96654220280901 35.453 > 49 55 Cl 0.50000000000000 0.15379704466559 0.96654220280901 35.453 > 49 56 Cl 0.75000000000000 0.15379704466559 0.96654220280901 35.453 > 49 57 Cl 0.12500000000000 0.34620295533441 0.03345779719099 35.453 > 57 58 Cl 0.37500000000000 0.34620295533441 0.03345779719099 35.453 > 57 59 Cl 0.62500000000000 0.34620295533441 0.03345779719099 35.453 > 57 60 Cl 0.87500000000000 0.34620295533441 0.03345779719099 35.453 > 57 61 Cl 0.12500000000000 0.34620295533441 0.53345779719099 35.453 > 57 62 Cl 0.37500000000000 0.34620295533441 0.53345779719099 35.453 > 57 63 Cl 0.62500000000000 0.34620295533441 0.53345779719099 35.453 > 57 64 Cl 0.87500000000000 0.34620295533441 0.53345779719099 35.453 > 57 65 Cl 0.12500000000000 0.34620295533441 0.21654220280901 35.453 > 65 66 Cl 0.37500000000000 0.34620295533441 0.21654220280901 35.453 > 65 67 Cl 0.62500000000000 0.34620295533441 0.21654220280901 35.453 > 65 68 Cl 0.87500000000000 0.34620295533441 0.21654220280901 35.453 > 65 69 Cl 0.12500000000000 0.34620295533441 0.71654220280901 35.453 > 65 70 Cl 0.37500000000000 0.34620295533441 0.71654220280901 35.453 > 65 71 Cl 0.62500000000000 0.34620295533441 0.71654220280901 35.453 > 65 72 Cl 0.87500000000000 0.34620295533441 0.71654220280901 35.453 > 65 73 Cl 0.00000000000000 0.15379704466559 0.28345779719099 35.453 > 73 74 Cl 0.25000000000000 0.15379704466559 0.28345779719099 35.453 > 73 75 Cl 0.50000000000000 0.15379704466559 0.28345779719099 35.453 > 73 76 Cl 0.75000000000000 0.15379704466559 0.28345779719099 35.453 > 73 77 Cl 0.00000000000000 0.15379704466559 0.78345779719099 35.453 > 73 78 Cl 0.25000000000000 0.15379704466559 0.78345779719099 35.453 > 73 79 Cl 0.50000000000000 0.15379704466559 0.78345779719099 35.453 > 73 80 Cl 0.75000000000000 0.15379704466559 0.78345779719099 35.453 > 73 81 Cl 0.00000000000000 0.59309976212006 0.12500000000000 35.453 > 33 82 Cl 0.25000000000000 0.59309976212006 0.12500000000000 35.453 > 33 83 Cl 0.50000000000000 0.59309976212006 0.12500000000000 35.453 > 33 84 Cl 0.75000000000000 0.59309976212006 0.12500000000000 35.453 > 33 85 Cl 0.00000000000000 0.59309976212006 0.62500000000000 35.453 > 33 86 Cl 0.25000000000000 0.59309976212006 0.62500000000000 35.453 > 33 87 Cl 0.50000000000000 0.59309976212006 0.62500000000000 35.453 > 33 88 Cl 0.75000000000000 0.59309976212006 0.62500000000000 35.453 > 33 89 Cl 0.12500000000000 0.90690023787994 0.37500000000000 35.453 > 41 90 Cl 0.37500000000000 0.90690023787994 0.37500000000000 35.453 > 41 91 Cl 0.62500000000000 0.90690023787994 0.37500000000000 35.453 > 41 92 Cl 0.87500000000000 0.90690023787994 0.37500000000000 35.453 > 41 93 Cl 0.12500000000000 0.90690023787994 0.87500000000000 35.453 > 41 94 Cl 0.37500000000000 0.90690023787994 0.87500000000000 35.453 > 41 95 Cl 0.62500000000000 0.90690023787994 0.87500000000000 35.453 > 41 96 Cl 0.87500000000000 0.90690023787994 0.87500000000000 35.453 > 41 97 Cl 0.12500000000000 0.65379704466559 0.46654220280901 35.453 > 49 98 Cl 0.37500000000000 0.65379704466559 0.46654220280901 35.453 > 49 99 Cl 0.62500000000000 0.65379704466559 0.46654220280901 35.453 > 49 100 Cl 0.87500000000000 0.65379704466559 0.46654220280901 35.453 > 49 101 Cl 0.12500000000000 0.65379704466559 0.96654220280901 35.453 > 49 102 Cl 0.37500000000000 0.65379704466559 0.96654220280901 35.453 > 49 103 Cl 0.62500000000000 0.65379704466559 0.96654220280901 35.453 > 49 104 Cl 0.87500000000000 0.65379704466559 0.96654220280901 35.453 > 49 105 Cl 0.00000000000000 0.84620295533441 0.03345779719099 35.453 > 57 106 Cl 0.25000000000000 0.84620295533441 0.03345779719099 35.453 > 57 107 Cl 0.50000000000000 0.84620295533441 0.03345779719099 35.453 > 57 108 Cl 0.75000000000000 0.84620295533441 0.03345779719099 35.453 > 57 109 Cl 0.00000000000000 0.84620295533441 0.53345779719099 35.453 > 57 110 Cl 0.25000000000000 0.84620295533441 0.53345779719099 35.453 > 57 111 Cl 0.50000000000000 0.84620295533441 0.53345779719099 35.453 > 57 112 Cl 0.75000000000000 0.84620295533441 0.53345779719099 35.453 > 57 113 Cl 0.00000000000000 0.84620295533441 0.21654220280901 35.453 > 65 114 Cl 0.25000000000000 0.84620295533441 0.21654220280901 35.453 > 65 115 Cl 0.50000000000000 0.84620295533441 0.21654220280901 35.453 > 65 116 Cl 0.75000000000000 0.84620295533441 0.21654220280901 35.453 > 65 117 Cl 0.00000000000000 0.84620295533441 0.71654220280901 35.453 > 65 118 Cl 0.25000000000000 0.84620295533441 0.71654220280901 35.453 > 65 119 Cl 0.50000000000000 0.84620295533441 0.71654220280901 35.453 > 65 120 Cl 0.75000000000000 0.84620295533441 0.71654220280901 35.453 > 65 121 Cl 0.12500000000000 0.65379704466559 0.28345779719099 35.453 > 73 122 Cl 0.37500000000000 0.65379704466559 0.28345779719099 35.453 > 73 123 Cl 0.62500000000000 0.65379704466559 0.28345779719099 35.453 > 73 124 Cl 0.87500000000000 0.65379704466559 0.28345779719099 35.453 > 73 125 Cl 0.12500000000000 0.65379704466559 0.78345779719099 35.453 > 73 126 Cl 0.37500000000000 0.65379704466559 0.78345779719099 35.453 > 73 127 Cl 0.62500000000000 0.65379704466559 0.78345779719099 35.453 > 73 128 Cl 0.87500000000000 0.65379704466559 0.78345779719099 35.453 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0289629 0.0000000 0.0000000 0.0000000 3.0424287 0.0000000 0.0000000 0.0000000 3.9674268 -------------------------- Born effective charges -------------------------- 1 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 2 Dy 4.4674497 0.0000000 0.0000000 0.0000000 2.1958423 0.0000000 0.0000000 0.0000000 3.7582365 3 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 4 Cl -1.7864006 0.0000000 0.0000000 0.0000000 -1.0349279 0.0000000 0.0000000 0.0000000 -0.5872952 5 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 6 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 0.1324606 0.0000000 0.0874456 -1.5854706 7 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 8 Cl -1.3405246 0.0000000 0.0000000 0.0000000 -0.5804572 -0.1324606 0.0000000 -0.0874456 -1.5854706 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 289, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/228) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/228) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 11.180 -2.784 0.000) 11.522 0.472 ( 24.559 -0.606 0.000) 24.567 0.844 ( 43.252 -0.976 0.000) 43.263 1.889 ( 1.495 0.042 0.000) 1.496 2.382 ( 14.849 -0.031 0.000) 14.849 3.026 ( 2.258 0.082 0.000) 2.259 3.398 ( 0.462 0.206 0.000) 0.506 3.601 ( -2.347 0.059 0.000) 2.348 3.801 ( -6.337 -0.050 0.000) 6.337 4.055 ( 5.244 0.045 0.000) 5.245 5.348 ( 0.788 0.321 0.000) 0.850 5.458 ( -3.240 1.926 0.000) 3.769 5.557 ( 0.673 -0.107 0.000) 0.681 5.633 ( 4.621 -0.012 0.000) 4.621 5.653 ( -3.073 1.496 0.000) 3.418 6.247 ( 1.625 0.221 0.000) 1.640 6.287 ( 6.117 -0.708 0.000) 6.158 6.500 ( -0.956 -0.112 0.000) 0.962 6.739 ( -4.653 0.345 0.000) 4.665 7.258 ( 10.714 44.235 0.000) 45.514 7.547 ( -3.183 -1.340 0.000) 3.453 7.697 ( -8.145 -8.347 0.000) 11.663 7.951 ( 2.106 -2.328 0.000) 3.139 8.301 ( -1.029 -0.307 0.000) 1.073 ======================= Grid point 2 (3/228) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 14.269 -1.823 0.000) 14.385 0.943 ( 24.354 -0.533 0.000) 24.360 1.648 ( 40.026 -0.746 0.000) 40.033 1.929 ( 2.746 0.141 0.000) 2.749 2.750 ( 22.266 0.082 0.000) 22.267 3.057 ( -0.039 0.192 0.000) 0.196 3.397 ( -1.259 0.082 0.000) 1.262 3.577 ( 0.710 -0.081 0.000) 0.714 3.662 ( -6.566 0.200 0.000) 6.569 4.169 ( 6.034 0.210 0.000) 6.037 5.278 ( -6.060 0.166 0.000) 6.063 5.484 ( 4.847 1.098 0.000) 4.970 5.570 ( -4.451 -0.613 0.000) 4.493 5.583 ( 2.038 -0.160 0.000) 2.045 5.737 ( 5.503 -0.038 0.000) 5.503 6.284 ( 2.255 0.330 0.000) 2.279 6.397 ( 3.923 -0.619 0.000) 3.971 6.479 ( -1.222 -0.107 0.000) 1.226 6.611 ( -8.071 0.515 0.000) 8.088 7.193 ( 1.275 17.733 0.000) 17.779 7.457 ( -7.967 -4.460 0.000) 9.130 7.590 ( -5.962 -3.241 0.000) 6.786 8.001 ( 3.969 5.568 0.000) 6.838 8.278 ( -1.391 -0.157 0.000) 1.400 ======================= Grid point 3 (4/228) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 16.475 0.037 0.000) 16.475 1.404 ( 23.525 -0.382 0.000) 23.528 1.983 ( 3.128 0.330 0.000) 3.145 2.371 ( 35.000 -0.210 0.000) 35.001 2.997 ( -5.847 0.280 0.000) 5.854 3.186 ( 22.633 0.192 0.000) 22.634 3.309 ( -7.750 -0.391 0.000) 7.760 3.610 ( 2.363 0.880 0.000) 2.521 3.652 ( 5.964 -0.519 0.000) 5.987 4.259 ( 3.140 0.410 0.000) 3.166 5.174 ( -4.710 -0.784 0.000) 4.775 5.441 ( -6.093 -0.001 0.000) 6.093 5.634 ( 7.501 -0.990 0.000) 7.566 5.639 ( 3.647 -0.083 0.000) 3.648 5.819 ( 2.576 -0.083 0.000) 2.578 6.322 ( 1.921 1.139 0.000) 2.233 6.426 ( -7.708 1.429 0.000) 7.840 6.426 ( -1.309 -1.622 0.000) 2.084 6.477 ( -1.714 -0.923 0.000) 1.946 7.097 ( -4.150 7.786 0.000) 8.823 7.328 ( -6.774 -3.941 0.000) 7.837 7.505 ( -4.009 0.210 0.000) 4.014 8.039 ( 3.524 5.887 0.000) 6.861 8.251 ( -1.564 -0.160 0.000) 1.572 ======================= Grid point 4 (5/228) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 17.069 2.087 0.000) 17.196 1.834 ( 20.999 -0.200 0.000) 21.000 2.034 ( 2.229 0.486 0.000) 2.281 2.854 ( -8.422 0.229 0.000) 8.425 2.977 ( 28.376 0.590 0.000) 28.382 3.162 ( -6.501 -0.201 0.000) 6.504 3.582 ( 18.389 0.180 0.000) 18.390 3.697 ( 6.571 0.560 0.000) 6.595 3.783 ( 6.074 -0.677 0.000) 6.111 4.279 ( -0.451 0.595 0.000) 0.747 5.113 ( -2.484 -1.958 0.000) 3.163 5.324 ( -6.262 -1.273 0.000) 6.390 5.703 ( 2.226 0.237 0.000) 2.239 5.795 ( 8.709 -0.422 0.000) 8.719 5.828 ( -1.624 -0.175 0.000) 1.633 6.274 ( -5.537 1.062 0.000) 5.637 6.321 ( -2.186 0.668 0.000) 2.286 6.399 ( -1.259 -1.401 0.000) 1.884 6.481 ( 0.667 -0.626 0.000) 0.915 6.941 ( -8.787 2.034 0.000) 9.019 7.263 ( -1.792 -0.820 0.000) 1.971 7.431 ( -3.351 1.340 0.000) 3.609 8.068 ( 2.519 4.058 0.000) 4.776 8.219 ( -1.898 -0.181 0.000) 1.907 ======================= Grid point 5 (6/228) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 16.165 3.095 0.000) 16.459 2.052 ( -0.312 0.549 0.000) 0.631 2.182 ( 14.545 -0.122 0.000) 14.545 2.692 ( -7.984 0.123 0.000) 7.985 3.104 ( 1.328 0.228 0.000) 1.348 3.441 ( 20.667 1.054 0.000) 20.694 3.827 ( 2.474 -0.230 0.000) 2.485 3.856 ( 4.457 -0.541 0.000) 4.489 3.863 ( 10.631 0.116 0.000) 10.632 4.258 ( -0.743 0.750 0.000) 1.056 5.103 ( 0.102 -2.592 0.000) 2.594 5.228 ( -4.379 -1.791 0.000) 4.731 5.691 ( -2.979 0.768 0.000) 3.076 5.771 ( -4.182 -0.348 0.000) 4.196 5.969 ( 9.279 -0.284 0.000) 9.283 6.240 ( 2.456 0.693 0.000) 2.552 6.256 ( -3.601 -1.205 0.000) 3.797 6.389 ( -0.650 0.754 0.000) 0.996 6.494 ( -0.002 -0.560 0.000) 0.560 6.753 ( -10.100 0.108 0.000) 10.100 7.253 ( 0.286 0.605 0.000) 0.669 7.364 ( -2.709 1.378 0.000) 3.039 8.088 ( 1.398 2.075 0.000) 2.503 8.181 ( -2.150 -0.265 0.000) 2.166 ======================= Grid point 6 (7/228) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 13.659 2.474 0.000) 13.881 2.006 ( -4.502 0.163 0.000) 4.505 2.375 ( 6.137 -0.129 0.000) 6.138 2.558 ( -5.919 0.049 0.000) 5.919 3.228 ( 11.334 0.658 0.000) 11.353 3.720 ( -10.419 -0.875 0.000) 10.456 3.754 ( 12.859 0.859 0.000) 12.888 3.978 ( 1.572 -0.062 0.000) 1.574 4.013 ( 8.550 -0.302 0.000) 8.556 4.237 ( -1.803 0.690 0.000) 1.930 5.131 ( 0.805 -1.556 0.000) 1.752 5.186 ( -1.013 -1.561 0.000) 1.861 5.625 ( -2.287 0.877 0.000) 2.450 5.687 ( -4.357 -0.507 0.000) 4.386 6.152 ( 9.537 -0.773 0.000) 9.568 6.223 ( -0.399 -1.296 0.000) 1.356 6.323 ( 5.514 0.547 0.000) 5.541 6.356 ( -2.098 1.115 0.000) 2.376 6.478 ( -2.097 -0.543 0.000) 2.166 6.556 ( -10.352 0.386 0.000) 10.359 7.260 ( 0.853 0.916 0.000) 1.252 7.315 ( -1.824 0.587 0.000) 1.916 8.100 ( 0.829 0.879 0.000) 1.208 8.144 ( -1.850 -0.351 0.000) 1.883 ======================= Grid point 7 (8/228) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 -0.000 0.000) 0.000 1.889 ( 0.000 -0.000 0.000) 0.000 2.454 ( 0.000 -0.000 0.000) 0.000 2.473 ( -0.000 -0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.503 ( -0.000 -0.000 0.000) 0.000 3.913 ( -0.000 -0.000 0.000) 0.000 3.951 ( 0.000 -0.000 0.000) 0.000 4.156 ( 0.000 -0.000 0.000) 0.000 4.163 ( -0.000 0.000 0.000) 0.000 5.140 ( 0.000 -0.000 0.000) 0.000 5.189 ( 0.000 -0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 -0.000 0.000) 0.000 6.237 ( 0.000 -0.000 0.000) 0.000 6.307 ( 0.000 -0.000 0.000) 0.000 6.330 ( -0.000 -0.000 0.000) 0.000 6.383 ( 0.000 -0.000 0.000) 0.000 6.415 ( -0.000 -0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 -0.000 0.000) 0.000 7.293 ( 0.000 -0.000 0.000) 0.000 8.110 ( 0.000 -0.000 0.000) 0.000 8.121 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/228) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 14.981 -0.000 0.000) 14.981 0.940 ( 24.464 -0.000 0.000) 24.464 1.643 ( 40.267 -0.000 0.000) 40.267 1.930 ( 2.749 -0.000 0.000) 2.749 2.750 ( 22.299 -0.000 0.000) 22.299 3.058 ( -0.026 0.000 0.000) 0.026 3.398 ( -1.429 0.000 0.000) 1.429 3.576 ( 0.705 -0.000 0.000) 0.705 3.664 ( -6.467 0.000 0.000) 6.467 4.170 ( 6.065 -0.000 0.000) 6.065 5.279 ( -6.329 0.000 0.000) 6.329 5.491 ( 5.605 -0.000 0.000) 5.605 5.566 ( -5.859 0.000 0.000) 5.859 5.582 ( 2.060 -0.000 0.000) 2.060 5.737 ( 5.499 -0.000 0.000) 5.499 6.286 ( 2.375 -0.000 0.000) 2.375 6.393 ( 3.875 -0.000 0.000) 3.875 6.478 ( -1.143 0.000 0.000) 1.143 6.614 ( -8.165 0.000 0.000) 8.165 7.335 ( -4.216 0.000 0.000) 4.216 7.395 ( -9.883 0.000 0.000) 9.883 7.569 ( -3.460 0.000 0.000) 3.460 8.037 ( 4.018 -0.000 0.000) 4.018 8.277 ( -1.363 0.000 0.000) 1.363 ======================= Grid point 17 (10/228) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 17.358 0.016 0.000) 17.358 1.401 ( 23.646 -0.136 0.000) 23.646 1.985 ( 3.142 0.116 0.000) 3.144 2.370 ( 35.346 -0.075 0.000) 35.346 2.999 ( -5.874 0.100 0.000) 5.875 3.187 ( 22.626 0.063 0.000) 22.626 3.306 ( -7.730 -0.138 0.000) 7.731 3.618 ( 2.077 0.439 0.000) 2.123 3.647 ( 6.121 -0.312 0.000) 6.129 4.262 ( 3.171 0.147 0.000) 3.174 5.168 ( -5.097 -0.305 0.000) 5.106 5.441 ( -6.900 0.023 0.000) 6.901 5.626 ( 7.967 -0.401 0.000) 7.977 5.638 ( 3.730 -0.029 0.000) 3.730 5.818 ( 2.559 -0.030 0.000) 2.559 6.333 ( 2.492 0.579 0.000) 2.558 6.412 ( -1.991 -0.756 0.000) 2.129 6.440 ( -8.675 0.891 0.000) 8.721 6.467 ( -0.788 -0.711 0.000) 1.061 7.173 ( -9.502 4.761 0.000) 10.628 7.283 ( -3.801 -3.408 0.000) 5.105 7.507 ( -3.288 0.062 0.000) 3.289 8.089 ( 2.360 2.369 0.000) 3.344 8.250 ( -1.548 -0.058 0.000) 1.549 ======================= Grid point 18 (11/228) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 17.675 1.122 0.000) 17.710 1.832 ( 21.090 -0.110 0.000) 21.090 2.038 ( 2.253 0.259 0.000) 2.268 2.856 ( -8.489 0.125 0.000) 8.490 2.983 ( 28.685 0.337 0.000) 28.687 3.161 ( -6.322 -0.110 0.000) 6.323 3.584 ( 18.342 0.085 0.000) 18.342 3.703 ( 6.373 0.384 0.000) 6.385 3.777 ( 5.977 -0.450 0.000) 5.994 4.284 ( -0.412 0.330 0.000) 0.528 5.094 ( -2.858 -1.130 0.000) 3.073 5.312 ( -6.564 -0.699 0.000) 6.601 5.705 ( 2.436 0.132 0.000) 2.440 5.791 ( 8.935 -0.288 0.000) 8.940 5.827 ( -1.664 -0.093 0.000) 1.666 6.284 ( -5.795 0.625 0.000) 5.828 6.328 ( -4.110 0.478 0.000) 4.138 6.385 ( 0.775 -0.861 0.000) 1.158 6.475 ( 0.778 -0.386 0.000) 0.868 6.960 ( -10.748 1.198 0.000) 10.815 7.255 ( -0.548 -0.515 0.000) 0.752 7.442 ( -3.237 0.674 0.000) 3.306 8.107 ( 1.156 2.455 0.000) 2.714 8.217 ( -1.909 -0.101 0.000) 1.912 ======================= Grid point 19 (12/228) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 16.041 2.042 0.000) 16.170 2.057 ( -0.392 0.367 0.000) 0.537 2.181 ( 14.550 -0.084 0.000) 14.550 2.694 ( -8.045 0.082 0.000) 8.045 3.106 ( 1.575 0.163 0.000) 1.583 3.452 ( 20.694 0.765 0.000) 20.708 3.825 ( 0.328 -0.082 0.000) 0.338 3.850 ( 6.353 -0.451 0.000) 6.369 3.864 ( 10.563 0.054 0.000) 10.563 4.265 ( -0.760 0.514 0.000) 0.918 5.078 ( 0.283 -1.837 0.000) 1.858 5.211 ( -4.345 -1.219 0.000) 4.513 5.699 ( -2.789 0.551 0.000) 2.843 5.767 ( -4.279 -0.246 0.000) 4.286 5.966 ( 9.204 -0.215 0.000) 9.207 6.245 ( -3.822 -0.818 0.000) 3.909 6.247 ( 2.262 0.490 0.000) 2.315 6.396 ( -0.198 0.557 0.000) 0.591 6.488 ( 0.044 -0.410 0.000) 0.412 6.754 ( -10.425 0.054 0.000) 10.425 7.258 ( 0.607 0.371 0.000) 0.711 7.378 ( -2.992 0.915 0.000) 3.128 8.109 ( 0.439 1.566 0.000) 1.626 8.179 ( -2.196 -0.194 0.000) 2.205 ======================= Grid point 20 (13/228) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 12.878 1.887 0.000) 13.016 2.007 ( -4.946 0.098 0.000) 4.947 2.374 ( 6.170 -0.096 0.000) 6.171 2.558 ( -5.950 0.028 0.000) 5.950 3.235 ( 11.498 0.548 0.000) 11.511 3.711 ( -10.410 -0.711 0.000) 10.435 3.764 ( 12.621 0.749 0.000) 12.643 3.977 ( 1.404 -0.099 0.000) 1.408 4.010 ( 8.398 -0.251 0.000) 8.402 4.244 ( -1.887 0.549 0.000) 1.966 5.116 ( 2.004 -1.138 0.000) 2.305 5.169 ( -0.728 -1.337 0.000) 1.522 5.635 ( -2.355 0.795 0.000) 2.486 5.682 ( -4.438 -0.476 0.000) 4.463 6.144 ( 9.261 -0.571 0.000) 9.279 6.210 ( -0.117 -0.948 0.000) 0.955 6.329 ( 5.473 0.438 0.000) 5.491 6.367 ( -2.276 0.828 0.000) 2.422 6.473 ( -2.082 -0.453 0.000) 2.130 6.560 ( -9.960 0.240 0.000) 9.963 7.269 ( 0.770 0.667 0.000) 1.019 7.321 ( -2.421 0.477 0.000) 2.467 8.110 ( 0.391 0.790 0.000) 0.881 8.140 ( -1.875 -0.305 0.000) 1.900 ======================= Grid point 21 (14/228) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -6.571 -0.366 0.000) 6.582 1.891 ( 4.807 0.232 0.000) 4.813 2.455 ( 0.427 0.153 0.000) 0.454 2.472 ( -0.359 -0.157 0.000) 0.391 3.459 ( -5.921 0.026 0.000) 5.921 3.502 ( 6.015 -0.023 0.000) 6.015 3.915 ( -1.695 0.224 0.000) 1.710 3.949 ( 1.211 -0.223 0.000) 1.231 4.152 ( 5.224 -0.414 0.000) 5.241 4.166 ( -5.440 0.409 0.000) 5.455 5.143 ( 0.923 0.428 0.000) 1.018 5.187 ( 1.086 -0.361 0.000) 1.145 5.607 ( -1.251 -0.159 0.000) 1.261 5.636 ( 1.016 0.186 0.000) 1.033 6.235 ( 1.287 -0.194 0.000) 1.302 6.309 ( 1.608 0.370 0.000) 1.650 6.330 ( 1.347 -0.054 0.000) 1.349 6.383 ( -3.856 -0.134 0.000) 3.858 6.411 ( -3.815 -0.395 0.000) 3.836 6.425 ( 3.813 0.373 0.000) 3.831 7.269 ( -1.028 0.072 0.000) 1.030 7.292 ( 0.035 -0.115 0.000) 0.120 8.109 ( -0.967 -0.221 0.000) 0.992 8.123 ( 0.764 0.266 0.000) 0.809 ======================= Grid point 22 (15/228) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -14.592 -2.613 0.000) 14.824 2.004 ( 4.042 -0.207 0.000) 4.048 2.376 ( -6.114 0.140 0.000) 6.116 2.557 ( 5.898 -0.065 0.000) 5.898 3.220 ( -11.172 -0.632 0.000) 11.190 3.731 ( 10.471 0.864 0.000) 10.506 3.745 ( -13.139 -0.788 0.000) 13.163 3.978 ( -1.732 0.003 0.000) 1.732 4.017 ( -8.737 0.289 0.000) 8.741 4.229 ( 1.708 -0.695 0.000) 1.844 5.150 ( 0.223 1.704 0.000) 1.718 5.203 ( 1.593 1.448 0.000) 2.152 5.615 ( 2.174 -0.809 0.000) 2.319 5.693 ( 4.305 0.470 0.000) 4.331 6.161 ( -9.872 0.866 0.000) 9.910 6.239 ( 0.738 1.470 0.000) 1.645 6.316 ( -5.557 -0.552 0.000) 5.584 6.342 ( 1.890 -1.257 0.000) 2.270 6.485 ( 2.109 0.521 0.000) 2.173 6.551 ( 10.819 -0.509 0.000) 10.831 7.249 ( -1.059 -0.998 0.000) 1.455 7.308 ( 1.235 -0.587 0.000) 1.367 8.090 ( -1.268 -0.783 0.000) 1.490 8.148 ( 1.820 0.340 0.000) 1.851 ======================= Grid point 23 (16/228) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -16.322 -3.639 0.000) 16.723 2.045 ( 0.209 -0.636 0.000) 0.669 2.184 ( -14.539 0.137 0.000) 14.539 2.691 ( 7.908 -0.143 0.000) 7.909 3.101 ( -1.026 -0.243 0.000) 1.054 3.428 ( -20.648 -1.108 0.000) 20.677 3.830 ( -4.528 0.363 0.000) 4.542 3.861 ( -10.716 -0.175 0.000) 10.717 3.862 ( -2.710 0.493 0.000) 2.755 4.248 ( 0.723 -0.842 0.000) 1.110 5.135 ( 0.086 2.790 0.000) 2.791 5.251 ( 4.415 2.029 0.000) 4.859 5.682 ( 3.175 -0.824 0.000) 3.280 5.775 ( 4.096 0.386 0.000) 4.114 5.972 ( -9.453 0.285 0.000) 9.458 6.232 ( -2.678 -0.756 0.000) 2.782 6.271 ( 3.112 1.309 0.000) 3.376 6.380 ( 1.459 -0.700 0.000) 1.618 6.501 ( 0.044 0.583 0.000) 0.585 6.752 ( 9.743 -0.171 0.000) 9.745 7.244 ( 0.151 -0.814 0.000) 0.828 7.347 ( 2.267 -1.562 0.000) 2.753 8.064 ( -2.473 -2.057 0.000) 3.217 8.184 ( 2.101 0.281 0.000) 2.120 ======================= Grid point 24 (17/228) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -16.113 -2.692 0.000) 16.336 1.837 ( -20.866 0.253 0.000) 20.868 2.027 ( -2.196 -0.641 0.000) 2.288 2.851 ( 8.326 -0.292 0.000) 8.331 2.970 ( -27.955 -0.719 0.000) 27.964 3.165 ( 6.759 0.254 0.000) 6.764 3.580 ( -18.455 -0.269 0.000) 18.457 3.690 ( -6.843 -0.547 0.000) 6.865 3.791 ( -6.230 0.692 0.000) 6.268 4.271 ( 0.512 -0.742 0.000) 0.902 5.138 ( 1.923 2.323 0.000) 3.015 5.340 ( 5.811 1.586 0.000) 6.024 5.700 ( -1.919 -0.294 0.000) 1.942 5.800 ( -8.452 0.336 0.000) 8.459 5.830 ( 1.558 0.233 0.000) 1.575 6.261 ( 5.236 -1.239 0.000) 5.381 6.314 ( 0.798 -0.659 0.000) 1.035 6.416 ( 2.763 1.652 0.000) 3.219 6.489 ( -0.576 0.683 0.000) 0.893 6.915 ( 6.326 -2.327 0.000) 6.741 7.273 ( 3.259 0.846 0.000) 3.367 7.412 ( 3.469 -1.883 0.000) 3.947 8.019 ( -4.137 -4.417 0.000) 6.052 8.221 ( 1.886 0.222 0.000) 1.899 ======================= Grid point 25 (18/228) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -14.824 0.044 0.000) 14.824 1.409 ( -23.308 0.554 0.000) 23.314 1.978 ( -3.089 -0.495 0.000) 3.129 2.374 ( -34.394 0.276 0.000) 34.395 2.993 ( 5.799 -0.408 0.000) 5.813 3.183 ( -22.647 -0.315 0.000) 22.650 3.314 ( 7.795 0.576 0.000) 7.816 3.600 ( -2.455 -0.958 0.000) 2.636 3.658 ( -6.111 0.423 0.000) 6.126 4.253 ( -3.083 -0.589 0.000) 3.139 5.184 ( 3.993 0.986 0.000) 4.113 5.442 ( 4.862 0.103 0.000) 4.863 5.640 ( -3.497 0.126 0.000) 3.499 5.647 ( -6.909 1.089 0.000) 6.994 5.820 ( -2.610 0.119 0.000) 2.612 6.309 ( -1.479 -1.095 0.000) 1.840 6.409 ( 7.753 -1.490 0.000) 7.895 6.446 ( 0.619 1.742 0.000) 1.848 6.487 ( 1.597 0.755 0.000) 1.767 7.001 ( -1.062 -8.703 0.000) 8.768 7.369 ( 7.703 3.150 0.000) 8.322 7.502 ( 5.421 -0.407 0.000) 5.436 7.964 ( -4.732 -6.807 0.000) 8.290 8.253 ( 1.596 0.231 0.000) 1.613 ======================= Grid point 26 (19/228) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -12.399 3.283 0.000) 12.827 0.951 ( -24.050 0.955 0.000) 24.069 1.659 ( -39.363 1.282 0.000) 39.384 1.927 ( -2.727 -0.223 0.000) 2.736 2.748 ( -22.181 -0.182 0.000) 22.182 3.053 ( 0.075 -0.347 0.000) 0.355 3.396 ( 0.800 -0.126 0.000) 0.810 3.578 ( -0.776 0.094 0.000) 0.782 3.659 ( 6.878 -0.329 0.000) 6.886 4.165 ( -5.946 -0.377 0.000) 5.958 5.275 ( 5.352 -0.399 0.000) 5.367 5.468 ( -4.130 -1.610 0.000) 4.432 5.577 ( 1.821 0.493 0.000) 1.887 5.585 ( -1.976 0.293 0.000) 1.998 5.738 ( -5.516 0.065 0.000) 5.516 6.279 ( -2.009 -0.533 0.000) 2.079 6.406 ( -4.040 0.887 0.000) 4.136 6.481 ( 1.453 0.233 0.000) 1.472 6.603 ( 7.797 -0.967 0.000) 7.857 6.964 ( -12.398 -21.093 0.000) 24.467 7.492 ( 5.750 2.140 0.000) 6.135 7.632 ( 8.936 3.719 0.000) 9.679 7.928 ( -2.548 -6.458 0.000) 6.942 8.281 ( 1.463 0.292 0.000) 1.492 ======================= Grid point 27 (20/228) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -8.574 6.481 0.000) 10.748 0.486 ( -23.854 1.654 0.000) 23.911 0.866 ( -42.111 2.596 0.000) 42.191 1.888 ( -1.408 -0.035 0.000) 1.408 2.383 ( -14.777 0.048 0.000) 14.777 3.024 ( -2.250 -0.228 0.000) 2.261 3.393 ( -0.541 -0.551 0.000) 0.772 3.600 ( 2.206 -0.211 0.000) 2.216 3.802 ( 6.455 0.158 0.000) 6.457 4.054 ( -5.170 -0.126 0.000) 5.171 5.341 ( -0.890 -1.005 0.000) 1.342 5.412 ( -3.651 -6.170 0.000) 7.169 5.560 ( -0.654 0.302 0.000) 0.721 5.621 ( 0.681 -3.723 0.000) 3.784 5.634 ( -4.629 0.034 0.000) 4.629 6.242 ( -2.154 -0.647 0.000) 2.249 6.300 ( -5.239 1.498 0.000) 5.449 6.503 ( 0.984 0.337 0.000) 1.040 6.687 ( -41.550 -44.670 0.000) 61.006 6.731 ( 4.603 -0.987 0.000) 4.708 7.559 ( 2.474 1.142 0.000) 2.725 7.748 ( 3.495 1.805 0.000) 3.934 7.974 ( 6.538 1.131 0.000) 6.635 8.306 ( 1.379 0.497 0.000) 1.466 ======================= Grid point 28 (21/228) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.082 ( 0.000 6.994 0.000) 6.994 0.109 ( 0.000 9.339 0.000) 9.339 0.145 ( 0.000 12.457 0.000) 12.457 1.875 ( 0.000 0.145 0.000) 0.145 2.233 ( 0.000 0.087 0.000) 0.087 3.000 ( -0.000 -0.156 0.000) 0.156 3.391 ( -0.000 -0.452 0.000) 0.452 3.629 ( -0.000 -0.267 0.000) 0.267 3.868 ( 0.000 0.210 0.000) 0.210 3.999 ( -0.000 -0.014 0.000) 0.014 4.811 ( 0.000 0.136 0.000) 0.136 5.328 ( -0.000 -0.383 0.000) 0.383 5.553 ( 0.000 0.227 0.000) 0.227 5.585 ( 0.000 0.014 0.000) 0.014 5.647 ( -0.000 -2.281 0.000) 2.281 5.958 ( -0.000 -0.329 0.000) 0.329 6.213 ( 0.000 0.363 0.000) 0.363 6.242 ( 0.000 1.555 0.000) 1.555 6.511 ( 0.000 0.246 0.000) 0.246 6.781 ( -0.000 -0.717 0.000) 0.717 7.577 ( 0.000 0.774 0.000) 0.774 7.764 ( 0.000 0.103 0.000) 0.103 8.096 ( -0.000 -0.485 0.000) 0.485 8.325 ( 0.000 0.279 0.000) 0.279 ======================= Grid point 31 (22/228) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 17.883 -0.000 0.000) 17.883 1.832 ( 21.122 -0.000 0.000) 21.122 2.040 ( 2.263 -0.000 0.000) 2.263 2.856 ( -8.512 0.000 0.000) 8.512 2.985 ( 28.798 -0.000 0.000) 28.798 3.160 ( -6.258 0.000 0.000) 6.258 3.584 ( 18.325 -0.000 0.000) 18.325 3.705 ( 6.300 -0.000 0.000) 6.300 3.774 ( 5.946 -0.000 0.000) 5.946 4.286 ( -0.398 0.000 0.000) 0.398 5.088 ( -2.987 0.000 0.000) 2.987 5.308 ( -6.672 0.000 0.000) 6.672 5.706 ( 2.511 -0.000 0.000) 2.511 5.789 ( 9.024 -0.000 0.000) 9.024 5.826 ( -1.677 0.000 0.000) 1.677 6.288 ( -5.901 0.000 0.000) 5.901 6.331 ( -5.281 0.000 0.000) 5.281 6.380 ( 1.989 -0.000 0.000) 1.989 6.473 ( 0.830 -0.000 0.000) 0.830 6.967 ( -11.518 0.000 0.000) 11.518 7.252 ( -0.037 0.000 0.000) 0.037 7.446 ( -3.191 0.000 0.000) 3.191 8.121 ( 0.620 -0.000 0.000) 0.620 8.217 ( -1.914 0.000 0.000) 1.914 ======================= Grid point 32 (23/228) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 15.973 0.709 0.000) 15.989 2.060 ( -0.435 0.128 0.000) 0.453 2.180 ( 14.553 -0.030 0.000) 14.553 2.694 ( -8.079 0.028 0.000) 8.079 3.107 ( 1.713 0.059 0.000) 1.714 3.458 ( 20.713 0.281 0.000) 20.715 3.825 ( -1.413 -0.005 0.000) 1.413 3.847 ( 7.953 -0.185 0.000) 7.955 3.864 ( 10.524 0.014 0.000) 10.525 4.269 ( -0.770 0.183 0.000) 0.791 5.063 ( 0.398 -0.664 0.000) 0.774 5.201 ( -4.327 -0.431 0.000) 4.349 5.703 ( -2.664 0.202 0.000) 2.672 5.765 ( -4.352 -0.090 0.000) 4.352 5.964 ( 9.186 -0.081 0.000) 9.186 6.238 ( -3.904 -0.287 0.000) 3.914 6.251 ( 2.147 0.177 0.000) 2.154 6.401 ( 0.002 0.203 0.000) 0.203 6.485 ( 0.076 -0.151 0.000) 0.169 6.755 ( -10.617 0.016 0.000) 10.617 7.261 ( 0.770 0.125 0.000) 0.780 7.385 ( -3.120 0.317 0.000) 3.136 8.122 ( -0.127 0.587 0.000) 0.600 8.177 ( -2.228 -0.074 0.000) 2.229 ======================= Grid point 33 (24/228) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 12.373 1.011 0.000) 12.414 2.008 ( -5.272 0.042 0.000) 5.272 2.373 ( 6.199 -0.050 0.000) 6.199 2.559 ( -5.977 0.012 0.000) 5.977 3.240 ( 11.623 0.313 0.000) 11.627 3.705 ( -10.426 -0.399 0.000) 10.433 3.771 ( 12.468 0.442 0.000) 12.475 3.976 ( 1.270 -0.077 0.000) 1.272 4.008 ( 8.301 -0.142 0.000) 8.302 4.249 ( -1.945 0.303 0.000) 1.968 5.106 ( 3.034 -0.584 0.000) 3.089 5.156 ( -0.710 -0.779 0.000) 1.054 5.643 ( -2.327 0.521 0.000) 2.385 5.677 ( -4.569 -0.335 0.000) 4.581 6.139 ( 9.078 -0.302 0.000) 9.083 6.202 ( 0.072 -0.497 0.000) 0.502 6.333 ( 5.444 0.243 0.000) 5.449 6.375 ( -2.396 0.440 0.000) 2.436 6.468 ( -2.070 -0.259 0.000) 2.086 6.562 ( -9.701 0.111 0.000) 9.702 7.275 ( 0.759 0.342 0.000) 0.832 7.325 ( -2.859 0.268 0.000) 2.872 8.117 ( 0.085 0.494 0.000) 0.501 8.137 ( -1.913 -0.201 0.000) 1.924 ======================= Grid point 34 (25/228) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -10.122 -0.393 0.000) 10.130 1.893 ( 6.942 0.226 0.000) 6.946 2.457 ( 1.058 0.270 0.000) 1.092 2.470 ( -0.935 -0.275 0.000) 0.975 3.460 ( -10.839 0.032 0.000) 10.839 3.502 ( 11.009 -0.030 0.000) 11.009 3.918 ( -3.704 0.349 0.000) 3.721 3.946 ( 2.832 -0.348 0.000) 2.853 4.148 ( 5.709 -0.318 0.000) 5.718 4.170 ( -6.097 0.312 0.000) 6.105 5.150 ( 1.599 0.737 0.000) 1.760 5.181 ( 2.023 -0.654 0.000) 2.126 5.605 ( -1.981 -0.170 0.000) 1.988 5.639 ( 1.557 0.204 0.000) 1.571 6.233 ( 2.197 -0.220 0.000) 2.208 6.314 ( 3.755 0.530 0.000) 3.792 6.328 ( 2.067 -0.151 0.000) 2.073 6.381 ( -7.325 -0.174 0.000) 7.327 6.407 ( -4.318 -0.315 0.000) 4.329 6.429 ( 4.313 0.288 0.000) 4.323 7.270 ( -1.963 0.106 0.000) 1.966 7.290 ( 0.175 -0.159 0.000) 0.237 8.106 ( -1.283 -0.191 0.000) 1.298 8.126 ( 0.917 0.246 0.000) 0.950 ======================= Grid point 35 (26/228) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -15.493 -2.199 0.000) 15.648 2.001 ( 3.654 -0.197 0.000) 3.660 2.378 ( -6.106 0.121 0.000) 6.107 2.556 ( 5.891 -0.064 0.000) 5.891 3.214 ( -11.041 -0.489 0.000) 11.052 3.737 ( -13.402 -0.587 0.000) 13.415 3.740 ( 10.552 0.687 0.000) 10.575 3.978 ( -1.857 -0.034 0.000) 1.857 4.020 ( -8.922 0.222 0.000) 8.925 4.222 ( 1.621 -0.561 0.000) 1.715 5.169 ( 0.887 1.483 0.000) 1.728 5.218 ( 2.340 1.070 0.000) 2.573 5.607 ( 2.061 -0.616 0.000) 2.151 5.698 ( 4.269 0.366 0.000) 4.285 6.171 ( -10.237 0.793 0.000) 10.267 6.256 ( 1.112 1.397 0.000) 1.785 6.311 ( -5.593 -0.447 0.000) 5.611 6.328 ( 1.671 -1.213 0.000) 2.065 6.490 ( 2.117 0.404 0.000) 2.156 6.545 ( 11.278 -0.522 0.000) 11.290 7.238 ( -1.356 -0.850 0.000) 1.600 7.302 ( 0.781 -0.477 0.000) 0.915 8.082 ( -1.617 -0.563 0.000) 1.713 8.151 ( 1.787 0.268 0.000) 1.807 ======================= Grid point 36 (27/228) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -16.477 -3.468 0.000) 16.838 2.038 ( 0.100 -0.597 0.000) 0.605 2.185 ( -14.532 0.125 0.000) 14.533 2.689 ( 7.832 -0.136 0.000) 7.833 3.098 ( -0.728 -0.209 0.000) 0.758 3.416 ( -20.644 -0.952 0.000) 20.666 3.835 ( -6.446 0.411 0.000) 6.459 3.859 ( -10.800 -0.195 0.000) 10.802 3.867 ( -1.094 0.361 0.000) 1.152 4.239 ( 0.705 -0.768 0.000) 1.043 5.165 ( 0.246 2.434 0.000) 2.447 5.273 ( 4.425 1.860 0.000) 4.800 5.673 ( 3.342 -0.722 0.000) 3.419 5.779 ( 4.035 0.354 0.000) 4.051 5.975 ( -9.725 0.239 0.000) 9.728 6.223 ( -2.881 -0.674 0.000) 2.959 6.285 ( 2.226 1.021 0.000) 2.449 6.374 ( 2.706 -0.363 0.000) 2.730 6.507 ( 0.071 0.495 0.000) 0.500 6.749 ( 9.457 -0.211 0.000) 9.460 7.234 ( 0.588 -0.928 0.000) 1.099 7.330 ( 1.756 -1.372 0.000) 2.228 8.042 ( -3.410 -1.639 0.000) 3.784 8.187 ( 2.056 0.244 0.000) 2.070 ======================= Grid point 37 (28/228) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -14.898 -2.755 0.000) 15.151 1.840 ( -20.718 0.257 0.000) 20.720 2.020 ( -2.165 -0.682 0.000) 2.270 2.847 ( 8.221 -0.299 0.000) 8.226 2.961 ( -27.531 -0.718 0.000) 27.541 3.168 ( 7.044 0.259 0.000) 7.049 3.576 ( -18.527 -0.312 0.000) 18.530 3.685 ( -7.135 -0.436 0.000) 7.148 3.799 ( -6.419 0.578 0.000) 6.445 4.263 ( 0.585 -0.741 0.000) 0.944 5.164 ( 1.293 2.230 0.000) 2.578 5.359 ( 5.270 1.536 0.000) 5.489 5.697 ( -1.574 -0.294 0.000) 1.602 5.802 ( -8.287 0.104 0.000) 8.288 5.833 ( 1.474 0.251 0.000) 1.496 6.247 ( 4.968 -1.172 0.000) 5.104 6.307 ( 0.049 -0.524 0.000) 0.526 6.435 ( 3.566 1.606 0.000) 3.910 6.496 ( -0.533 0.600 0.000) 0.803 6.890 ( 3.977 -2.087 0.000) 4.491 7.282 ( 4.637 0.615 0.000) 4.678 7.389 ( 3.517 -2.048 0.000) 4.070 7.971 ( -5.488 -3.739 0.000) 6.641 8.224 ( 1.876 0.218 0.000) 1.888 ======================= Grid point 38 (29/228) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -12.597 0.323 0.000) 12.601 1.416 ( -23.040 0.618 0.000) 23.048 1.972 ( -3.019 -0.575 0.000) 3.073 2.377 ( -33.689 0.224 0.000) 33.690 2.988 ( 5.740 -0.456 0.000) 5.758 3.179 ( -22.667 -0.393 0.000) 22.670 3.322 ( 7.865 0.657 0.000) 7.893 3.589 ( -2.471 -0.876 0.000) 2.622 3.662 ( -6.408 0.260 0.000) 6.413 4.246 ( -3.013 -0.649 0.000) 3.082 5.196 ( 3.083 0.965 0.000) 3.231 5.443 ( 3.567 0.139 0.000) 3.570 5.642 ( -3.307 0.149 0.000) 3.311 5.658 ( -6.486 0.708 0.000) 6.525 5.822 ( -2.657 0.131 0.000) 2.660 6.298 ( -1.251 -0.820 0.000) 1.495 6.392 ( 8.041 -1.368 0.000) 8.156 6.465 ( -0.039 1.427 0.000) 1.428 6.494 ( 1.225 0.549 0.000) 1.342 6.903 ( -6.151 -8.193 0.000) 10.245 7.401 ( 7.759 2.337 0.000) 8.103 7.496 ( 7.371 -0.596 0.000) 7.395 7.891 ( -5.207 -5.655 0.000) 7.687 8.256 ( 1.643 0.261 0.000) 1.664 ======================= Grid point 39 (30/228) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -9.873 4.369 0.000) 10.796 0.964 ( -23.625 1.180 0.000) 23.654 1.675 ( -38.474 1.406 0.000) 38.500 1.924 ( -2.680 -0.232 0.000) 2.690 2.745 ( -22.063 -0.276 0.000) 22.065 3.049 ( 0.129 -0.434 0.000) 0.453 3.394 ( 0.181 -0.119 0.000) 0.217 3.578 ( -0.999 0.007 0.000) 0.999 3.655 ( 7.414 -0.338 0.000) 7.421 4.160 ( -5.821 -0.468 0.000) 5.840 5.269 ( 4.422 -0.615 0.000) 4.465 5.448 ( -4.504 -1.808 0.000) 4.853 5.580 ( -0.769 -0.140 0.000) 0.781 5.589 ( -1.888 0.374 0.000) 1.924 5.738 ( -5.534 0.075 0.000) 5.534 6.271 ( -2.070 -0.896 0.000) 2.256 6.415 ( -4.177 0.777 0.000) 4.249 6.484 ( 1.826 0.391 0.000) 1.867 6.590 ( 7.365 -1.305 0.000) 7.479 6.733 ( -20.108 -18.219 0.000) 27.134 7.513 ( 5.040 1.703 0.000) 5.320 7.670 ( 9.769 2.883 0.000) 10.186 7.861 ( -0.081 -5.042 0.000) 5.043 8.285 ( 1.564 0.380 0.000) 1.610 ======================= Grid point 40 (31/228) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -5.941 8.139 0.000) 10.077 0.509 ( -22.715 2.285 0.000) 22.830 0.900 ( -40.425 3.247 0.000) 40.556 1.888 ( -1.197 0.060 0.000) 1.199 2.383 ( -14.652 0.021 0.000) 14.652 3.021 ( -2.231 -0.323 0.000) 2.254 3.386 ( -0.688 -0.736 0.000) 1.007 3.596 ( 1.971 -0.414 0.000) 2.014 3.805 ( 6.650 0.274 0.000) 6.655 4.052 ( -5.036 -0.186 0.000) 5.039 5.310 ( -13.240 -7.236 0.000) 15.089 5.338 ( -2.975 -3.248 0.000) 4.405 5.564 ( -0.622 0.443 0.000) 0.763 5.576 ( -0.889 -3.920 0.000) 4.020 5.634 ( -4.643 0.046 0.000) 4.643 6.213 ( -10.142 -7.212 0.000) 12.445 6.316 ( -6.716 -0.205 0.000) 6.719 6.340 ( -24.069 -12.674 0.000) 27.202 6.508 ( 1.033 0.559 0.000) 1.175 6.716 ( 4.518 -1.493 0.000) 4.759 7.575 ( 2.450 1.585 0.000) 2.918 7.759 ( 1.430 0.551 0.000) 1.532 7.979 ( 8.745 -0.131 0.000) 8.746 8.312 ( 1.563 0.580 0.000) 1.668 ======================= Grid point 41 (32/228) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( 0.000 6.466 0.000) 6.466 0.213 ( 0.000 8.644 0.000) 8.644 0.284 ( 0.000 11.562 0.000) 11.562 1.878 ( 0.000 0.263 0.000) 0.263 2.234 ( 0.000 0.156 0.000) 0.156 2.998 ( -0.000 -0.273 0.000) 0.273 3.383 ( -0.000 -0.777 0.000) 0.777 3.624 ( -0.000 -0.538 0.000) 0.538 3.871 ( 0.000 0.388 0.000) 0.388 3.999 ( -0.000 -0.026 0.000) 0.026 4.814 ( 0.000 0.255 0.000) 0.255 5.322 ( -0.000 -0.702 0.000) 0.702 5.556 ( 0.000 0.411 0.000) 0.411 5.586 ( 0.000 0.024 0.000) 0.024 5.612 ( -0.000 -3.752 0.000) 3.752 5.953 ( -0.000 -0.561 0.000) 0.561 6.219 ( 0.000 0.623 0.000) 0.623 6.265 ( 0.000 2.419 0.000) 2.419 6.515 ( 0.000 0.485 0.000) 0.485 6.769 ( -0.000 -1.331 0.000) 1.331 7.589 ( 0.000 1.394 0.000) 1.394 7.766 ( 0.000 0.287 0.000) 0.287 8.088 ( -0.000 -0.944 0.000) 0.944 8.330 ( 0.000 0.495 0.000) 0.495 ======================= Grid point 46 (33/228) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 12.200 -0.000 0.000) 12.200 2.008 ( -5.393 0.000 0.000) 5.393 2.372 ( 6.210 -0.000 0.000) 6.210 2.559 ( -5.988 0.000 0.000) 5.988 3.242 ( 11.670 -0.000 0.000) 11.670 3.702 ( -10.435 0.000 0.000) 10.435 3.773 ( 12.416 -0.000 0.000) 12.416 3.975 ( 1.217 -0.000 0.000) 1.217 4.007 ( 8.268 -0.000 0.000) 8.268 4.251 ( -1.965 0.000 0.000) 1.965 5.102 ( 3.455 -0.000 0.000) 3.455 5.152 ( -0.754 0.000 0.000) 0.754 5.646 ( -2.266 0.000 0.000) 2.266 5.675 ( -4.668 0.000 0.000) 4.668 6.137 ( 9.013 -0.000 0.000) 9.013 6.199 ( 0.139 -0.000 0.000) 0.139 6.334 ( 5.433 -0.000 0.000) 5.433 6.377 ( -2.439 0.000 0.000) 2.439 6.467 ( -2.065 0.000 0.000) 2.065 6.562 ( -9.611 0.000 0.000) 9.611 7.277 ( 0.761 -0.000 0.000) 0.761 7.327 ( -3.018 0.000 0.000) 3.018 8.120 ( -0.004 0.000 0.000) 0.004 8.136 ( -1.952 0.000 0.000) 1.952 ======================= Grid point 47 (34/228) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -11.523 -0.160 0.000) 11.524 1.895 ( 7.558 0.086 0.000) 7.558 2.461 ( 2.782 0.263 0.000) 2.795 2.466 ( -2.628 -0.265 0.000) 2.642 3.460 ( -13.694 0.015 0.000) 13.694 3.502 ( 13.906 -0.013 0.000) 13.906 3.922 ( -6.019 0.208 0.000) 6.022 3.942 ( 4.931 -0.208 0.000) 4.935 4.145 ( 5.771 -0.116 0.000) 5.772 4.173 ( -6.255 0.113 0.000) 6.256 5.159 ( 1.652 0.715 0.000) 1.800 5.172 ( 2.865 -0.678 0.000) 2.944 5.604 ( -2.278 -0.068 0.000) 2.279 5.640 ( 1.749 0.084 0.000) 1.751 6.231 ( 2.638 -0.092 0.000) 2.640 6.320 ( 7.504 0.411 0.000) 7.515 6.326 ( 0.283 -0.246 0.000) 0.375 6.379 ( -9.562 -0.080 0.000) 9.563 6.405 ( -4.417 -0.116 0.000) 4.419 6.431 ( 4.412 0.104 0.000) 4.413 7.271 ( -2.617 0.056 0.000) 2.617 7.289 ( 0.389 -0.080 0.000) 0.397 8.105 ( -1.375 -0.070 0.000) 1.377 8.128 ( 0.918 0.095 0.000) 0.923 ======================= Grid point 48 (35/228) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -16.150 -1.261 0.000) 16.199 1.999 ( 3.399 -0.121 0.000) 3.401 2.379 ( -6.107 0.070 0.000) 6.108 2.556 ( 5.893 -0.040 0.000) 5.893 3.209 ( -10.958 -0.265 0.000) 10.961 3.732 ( -13.589 -0.310 0.000) 13.592 3.746 ( 10.629 0.379 0.000) 10.636 3.978 ( -1.934 -0.031 0.000) 1.934 4.022 ( -9.062 0.119 0.000) 9.063 4.217 ( 1.560 -0.313 0.000) 1.591 5.183 ( 1.161 0.877 0.000) 1.455 5.227 ( 3.021 0.550 0.000) 3.070 5.602 ( 1.981 -0.332 0.000) 2.008 5.701 ( 4.247 0.202 0.000) 4.252 6.179 ( -10.563 0.495 0.000) 10.574 6.270 ( 1.523 0.990 0.000) 1.817 6.307 ( -5.617 -0.250 0.000) 5.622 6.316 ( 1.419 -0.890 0.000) 1.675 6.494 ( 2.121 0.219 0.000) 2.132 6.540 ( 11.628 -0.344 0.000) 11.633 7.230 ( -1.622 -0.488 0.000) 1.694 7.297 ( 0.509 -0.269 0.000) 0.576 8.078 ( -1.834 -0.289 0.000) 1.856 8.154 ( 1.759 0.147 0.000) 1.765 ======================= Grid point 49 (36/228) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -16.597 -2.510 0.000) 16.786 2.032 ( 0.009 -0.427 0.000) 0.427 2.186 ( -14.528 0.088 0.000) 14.528 2.688 ( 7.771 -0.098 0.000) 7.772 3.096 ( -0.493 -0.139 0.000) 0.512 3.407 ( -20.655 -0.636 0.000) 20.664 3.839 ( -8.131 0.332 0.000) 8.137 3.857 ( -10.868 -0.153 0.000) 10.869 3.870 ( 0.352 0.203 0.000) 0.406 4.231 ( 0.692 -0.537 0.000) 0.876 5.189 ( 0.372 1.642 0.000) 1.684 5.292 ( 4.393 1.301 0.000) 4.581 5.666 ( 3.461 -0.490 0.000) 3.496 5.783 ( 3.999 0.251 0.000) 4.007 5.978 ( -10.019 0.164 0.000) 10.020 6.217 ( -3.034 -0.465 0.000) 3.070 6.294 ( 1.168 0.491 0.000) 1.267 6.372 ( 4.087 0.032 0.000) 4.087 6.512 ( 0.084 0.328 0.000) 0.338 6.747 ( 9.295 -0.186 0.000) 9.297 7.224 ( 0.877 -0.791 0.000) 1.181 7.317 ( 1.353 -0.889 0.000) 1.619 8.027 ( -4.066 -1.020 0.000) 4.192 8.190 ( 2.021 0.164 0.000) 2.027 ======================= Grid point 50 (37/228) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -13.623 -2.230 0.000) 13.804 1.843 ( -20.583 0.209 0.000) 20.584 2.012 ( -2.142 -0.578 0.000) 2.219 2.844 ( 8.127 -0.246 0.000) 8.131 2.954 ( -27.195 -0.587 0.000) 27.202 3.171 ( 7.300 0.211 0.000) 7.303 3.573 ( -18.590 -0.278 0.000) 18.592 3.681 ( -7.391 -0.291 0.000) 7.396 3.804 ( -6.601 0.402 0.000) 6.613 4.255 ( 0.656 -0.593 0.000) 0.884 5.187 ( 0.741 1.757 0.000) 1.907 5.374 ( 4.724 1.150 0.000) 4.862 5.694 ( -1.261 -0.236 0.000) 1.282 5.802 ( -8.273 -0.095 0.000) 8.274 5.836 ( 1.390 0.216 0.000) 1.406 6.235 ( 4.767 -0.905 0.000) 4.852 6.302 ( -0.233 -0.326 0.000) 0.400 6.452 ( 3.809 1.254 0.000) 4.010 6.502 ( -0.529 0.433 0.000) 0.684 6.869 ( 2.153 -1.475 0.000) 2.610 7.287 ( 5.793 0.195 0.000) 5.796 7.367 ( 3.471 -1.607 0.000) 3.825 7.935 ( -6.359 -2.545 0.000) 6.849 8.226 ( 1.871 0.171 0.000) 1.878 ======================= Grid point 51 (38/228) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -10.132 0.654 0.000) 10.153 1.423 ( -22.774 0.560 0.000) 22.781 1.965 ( -2.922 -0.543 0.000) 2.972 2.379 ( -33.061 0.092 0.000) 33.061 2.983 ( 5.684 -0.414 0.000) 5.699 3.174 ( -22.685 -0.387 0.000) 22.689 3.329 ( 7.955 0.609 0.000) 7.978 3.580 ( -2.486 -0.693 0.000) 2.580 3.664 ( -6.727 0.117 0.000) 6.728 4.239 ( -2.943 -0.580 0.000) 3.000 5.206 ( 2.176 0.830 0.000) 2.329 5.445 ( 2.418 0.045 0.000) 2.419 5.643 ( -3.115 0.142 0.000) 3.119 5.662 ( -6.342 0.132 0.000) 6.344 5.823 ( -2.711 0.117 0.000) 2.714 6.290 ( -1.213 -0.473 0.000) 1.302 6.378 ( 8.342 -1.101 0.000) 8.414 6.478 ( -0.704 0.855 0.000) 1.108 6.499 ( 0.844 0.359 0.000) 0.917 6.818 ( -10.154 -6.293 0.000) 11.946 7.423 ( 7.391 1.608 0.000) 7.563 7.489 ( 9.507 -0.656 0.000) 9.530 7.837 ( -5.085 -3.766 0.000) 6.328 8.259 ( 1.698 0.240 0.000) 1.715 ======================= Grid point 52 (39/228) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -7.218 4.861 0.000) 8.702 0.978 ( -23.170 1.170 0.000) 23.200 1.690 ( -37.619 1.111 0.000) 37.636 1.922 ( -2.604 -0.193 0.000) 2.611 2.742 ( -21.933 -0.316 0.000) 21.936 3.044 ( 0.192 -0.437 0.000) 0.477 3.393 ( -0.451 -0.074 0.000) 0.457 3.578 ( -1.378 -0.139 0.000) 1.385 3.652 ( 8.086 -0.237 0.000) 8.089 4.155 ( -5.686 -0.467 0.000) 5.706 5.262 ( 3.474 -0.659 0.000) 3.536 5.427 ( -5.755 -1.869 0.000) 6.051 5.574 ( -2.969 -0.861 0.000) 3.091 5.594 ( -1.790 0.384 0.000) 1.830 5.739 ( -5.554 0.069 0.000) 5.554 6.256 ( -3.540 -1.825 0.000) 3.982 6.422 ( -4.270 0.373 0.000) 4.286 6.490 ( 2.317 0.589 0.000) 2.391 6.561 ( -21.156 -11.452 0.000) 24.056 6.574 ( 6.810 -1.500 0.000) 6.973 7.532 ( 5.051 1.574 0.000) 5.290 7.698 ( 9.722 2.012 0.000) 9.928 7.812 ( 2.031 -3.530 0.000) 4.072 8.289 ( 1.680 0.399 0.000) 1.726 ======================= Grid point 53 (40/228) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -4.020 8.503 0.000) 9.405 0.536 ( -21.488 2.411 0.000) 21.623 0.936 ( -38.859 2.843 0.000) 38.963 1.890 ( -0.947 0.145 0.000) 0.958 2.383 ( -14.476 -0.008 0.000) 14.476 3.017 ( -2.202 -0.349 0.000) 2.229 3.377 ( -0.878 -0.740 0.000) 1.148 3.591 ( 1.712 -0.594 0.000) 1.812 3.809 ( 6.860 0.358 0.000) 6.869 4.050 ( -4.870 -0.211 0.000) 4.875 5.214 ( -22.531 -7.897 0.000) 23.875 5.317 ( 0.270 -1.469 0.000) 1.494 5.535 ( -1.357 -3.237 0.000) 3.510 5.570 ( -0.583 0.499 0.000) 0.767 5.635 ( -4.658 0.047 0.000) 4.658 6.100 ( -16.491 -8.401 0.000) 18.507 6.284 ( -6.696 -0.266 0.000) 6.701 6.338 ( -3.367 1.391 0.000) 3.643 6.516 ( 1.084 0.761 0.000) 1.325 6.697 ( 4.423 -1.792 0.000) 4.772 7.594 ( 2.460 1.740 0.000) 3.013 7.764 ( 1.113 0.457 0.000) 1.203 7.974 ( 8.963 -0.724 0.000) 8.992 8.319 ( 1.677 0.612 0.000) 1.786 ======================= Grid point 54 (41/228) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 0.000 5.614 0.000) 5.614 0.306 ( 0.000 7.518 0.000) 7.518 0.408 ( 0.000 10.100 0.000) 10.100 1.881 ( 0.000 0.328 0.000) 0.328 2.236 ( 0.000 0.194 0.000) 0.194 2.994 ( -0.000 -0.326 0.000) 0.326 3.374 ( -0.000 -0.906 0.000) 0.906 3.617 ( -0.000 -0.761 0.000) 0.761 3.876 ( 0.000 0.497 0.000) 0.497 3.998 ( -0.000 -0.032 0.000) 0.032 4.817 ( 0.000 0.336 0.000) 0.336 5.313 ( -0.000 -0.899 0.000) 0.899 5.562 ( 0.000 0.516 0.000) 0.516 5.565 ( -0.000 -4.211 0.000) 4.211 5.586 ( 0.000 0.031 0.000) 0.031 5.946 ( -0.000 -0.648 0.000) 0.648 6.227 ( 0.000 0.730 0.000) 0.730 6.294 ( 0.000 2.503 0.000) 2.503 6.522 ( 0.000 0.702 0.000) 0.702 6.751 ( -0.000 -1.749 0.000) 1.749 7.607 ( 0.000 1.691 0.000) 1.691 7.771 ( 0.000 0.611 0.000) 0.611 8.075 ( -0.000 -1.329 0.000) 1.329 8.336 ( 0.000 0.603 0.000) 0.603 ======================= Grid point 61 (42/228) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -16.392 0.000 0.000) 16.392 1.999 ( 3.310 -0.000 0.000) 3.310 2.379 ( -6.109 0.000 0.000) 6.109 2.556 ( 5.895 -0.000 0.000) 5.895 3.208 ( -10.929 0.000 0.000) 10.929 3.730 ( -13.656 0.000 0.000) 13.656 3.748 ( 10.660 -0.000 0.000) 10.660 3.978 ( -1.960 0.000 0.000) 1.960 4.022 ( -9.114 0.000 0.000) 9.114 4.215 ( 1.538 -0.000 0.000) 1.538 5.188 ( 1.207 -0.000 0.000) 1.207 5.230 ( 3.312 -0.000 0.000) 3.312 5.600 ( 1.952 -0.000 0.000) 1.952 5.702 ( 4.239 -0.000 0.000) 4.239 6.182 ( -10.705 0.000 0.000) 10.705 6.277 ( 1.799 -0.000 0.000) 1.799 6.305 ( -5.625 0.000 0.000) 5.625 6.310 ( 1.218 -0.000 0.000) 1.218 6.495 ( 2.122 -0.000 0.000) 2.122 6.538 ( 11.761 -0.000 0.000) 11.761 7.227 ( -1.728 0.000 0.000) 1.728 7.296 ( 0.420 -0.000 0.000) 0.420 8.076 ( -1.906 0.000 0.000) 1.906 8.155 ( 1.749 -0.000 0.000) 1.749 ======================= Grid point 63 (43/228) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -16.662 -0.918 0.000) 16.687 2.028 ( -0.043 -0.155 0.000) 0.161 2.187 ( -14.525 0.032 0.000) 14.525 2.687 ( 7.738 -0.036 0.000) 7.738 3.095 ( -0.364 -0.048 0.000) 0.367 3.402 ( -20.666 -0.223 0.000) 20.667 3.842 ( -9.218 0.129 0.000) 9.219 3.856 ( -10.906 -0.058 0.000) 10.906 3.872 ( 1.308 0.062 0.000) 1.309 4.227 ( 0.685 -0.193 0.000) 0.711 5.202 ( 0.447 0.578 0.000) 0.731 5.302 ( 4.350 0.466 0.000) 4.375 5.662 ( 3.523 -0.173 0.000) 3.527 5.785 ( 3.983 0.091 0.000) 3.984 5.979 ( -10.213 0.059 0.000) 10.213 6.213 ( -3.116 -0.166 0.000) 3.120 6.297 ( 0.533 0.112 0.000) 0.545 6.373 ( 4.915 0.089 0.000) 4.916 6.514 ( 0.088 0.114 0.000) 0.144 6.745 ( 9.237 -0.076 0.000) 9.238 7.217 ( 0.983 -0.317 0.000) 1.033 7.310 ( 1.160 -0.300 0.000) 1.198 8.019 ( -4.395 -0.342 0.000) 4.408 8.191 ( 2.001 0.058 0.000) 2.002 ======================= Grid point 64 (44/228) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -12.618 -1.237 0.000) 12.679 1.844 ( -20.489 0.117 0.000) 20.490 2.007 ( -2.130 -0.333 0.000) 2.156 2.842 ( 8.063 -0.139 0.000) 8.064 2.948 ( -26.991 -0.333 0.000) 26.993 3.173 ( 7.475 0.119 0.000) 7.476 3.570 ( -18.633 -0.165 0.000) 18.634 3.678 ( -7.564 -0.143 0.000) 7.566 3.808 ( -6.733 0.203 0.000) 6.736 4.249 ( 0.707 -0.329 0.000) 0.780 5.203 ( 0.378 0.977 0.000) 1.048 5.384 ( 4.301 0.589 0.000) 4.341 5.692 ( -1.042 -0.131 0.000) 1.050 5.801 ( -8.351 -0.122 0.000) 8.352 5.838 ( 1.326 0.126 0.000) 1.332 6.226 ( 4.645 -0.492 0.000) 4.671 6.299 ( -0.266 -0.141 0.000) 0.302 6.463 ( 3.753 0.676 0.000) 3.814 6.506 ( -0.540 0.225 0.000) 0.585 6.856 ( 1.052 -0.729 0.000) 1.280 7.287 ( 6.543 -0.116 0.000) 6.544 7.354 ( 3.441 -0.762 0.000) 3.525 7.913 ( -6.799 -1.252 0.000) 6.913 8.228 ( 1.869 0.093 0.000) 1.871 ======================= Grid point 65 (45/228) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -7.971 0.702 0.000) 8.002 1.428 ( -22.564 0.390 0.000) 22.567 1.960 ( -2.825 -0.392 0.000) 2.852 2.380 ( -32.626 -0.014 0.000) 32.626 2.979 ( 5.640 -0.289 0.000) 5.648 3.170 ( -22.699 -0.284 0.000) 22.701 3.335 ( 8.043 0.432 0.000) 8.054 3.573 ( -2.510 -0.442 0.000) 2.548 3.665 ( -6.986 0.031 0.000) 6.986 4.233 ( -2.887 -0.399 0.000) 2.915 5.214 ( 1.464 0.594 0.000) 1.580 5.444 ( 1.554 -0.067 0.000) 1.555 5.645 ( -2.959 0.103 0.000) 2.961 5.662 ( -6.417 -0.220 0.000) 6.421 5.824 ( -2.760 0.081 0.000) 2.761 6.287 ( -1.300 -0.176 0.000) 1.312 6.367 ( 8.574 -0.715 0.000) 8.604 6.484 ( -1.350 0.289 0.000) 1.381 6.502 ( 0.552 0.199 0.000) 0.587 6.761 ( -12.508 -3.692 0.000) 13.041 7.438 ( 6.847 0.948 0.000) 6.912 7.482 ( 11.384 -0.509 0.000) 11.395 7.804 ( -4.782 -2.028 0.000) 5.195 8.261 ( 1.747 0.168 0.000) 1.756 ======================= Grid point 66 (46/228) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -4.961 4.309 0.000) 6.571 0.990 ( -22.776 0.931 0.000) 22.795 1.700 ( -36.992 0.631 0.000) 36.997 1.920 ( -2.513 -0.133 0.000) 2.517 2.739 ( -21.814 -0.275 0.000) 21.815 3.039 ( 0.251 -0.352 0.000) 0.432 3.393 ( -0.977 -0.024 0.000) 0.977 3.575 ( -1.770 -0.228 0.000) 1.784 3.650 ( 8.701 -0.108 0.000) 8.702 4.150 ( -5.568 -0.374 0.000) 5.581 5.255 ( 2.667 -0.490 0.000) 2.712 5.406 ( -7.330 -1.691 0.000) 7.522 5.562 ( -4.472 -1.168 0.000) 4.622 5.598 ( -1.701 0.315 0.000) 1.730 5.740 ( -5.573 0.051 0.000) 5.573 6.230 ( -7.110 -2.588 0.000) 7.566 6.422 ( -4.555 -0.455 0.000) 4.578 6.472 ( -16.775 -4.397 0.000) 17.342 6.498 ( 2.889 0.819 0.000) 3.003 6.556 ( 6.183 -1.548 0.000) 6.374 7.548 ( 5.243 1.297 0.000) 5.401 7.717 ( 9.673 1.324 0.000) 9.763 7.779 ( 3.231 -2.333 0.000) 3.985 8.293 ( 1.787 0.334 0.000) 1.818 ======================= Grid point 67 (47/228) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -2.755 7.625 0.000) 8.108 0.562 ( -20.430 2.075 0.000) 20.535 0.963 ( -37.779 1.810 0.000) 37.822 1.891 ( -0.732 0.173 0.000) 0.752 2.383 ( -14.278 -0.021 0.000) 14.278 3.013 ( -2.165 -0.307 0.000) 2.187 3.369 ( -1.075 -0.601 0.000) 1.232 3.583 ( 1.490 -0.643 0.000) 1.623 3.813 ( 7.036 0.363 0.000) 7.045 4.047 ( -4.707 -0.195 0.000) 4.711 5.139 ( -22.952 -5.223 0.000) 23.539 5.301 ( 0.583 -1.270 0.000) 1.397 5.502 ( -1.859 -2.487 0.000) 3.105 5.575 ( -0.545 0.458 0.000) 0.712 5.635 ( -4.670 0.038 0.000) 4.670 6.031 ( -11.067 -4.089 0.000) 11.798 6.288 ( -4.958 0.631 0.000) 4.998 6.352 ( -2.380 1.007 0.000) 2.584 6.525 ( 1.110 0.889 0.000) 1.422 6.676 ( 4.355 -1.812 0.000) 4.717 7.613 ( 2.382 1.502 0.000) 2.816 7.771 ( 1.470 0.638 0.000) 1.602 7.963 ( 8.627 -0.979 0.000) 8.682 8.325 ( 1.749 0.544 0.000) 1.831 ======================= Grid point 68 (48/228) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 4.480 0.000) 4.480 0.384 ( 0.000 6.010 0.000) 6.010 0.513 ( 0.000 8.120 0.000) 8.120 1.885 ( 0.000 0.327 0.000) 0.327 2.239 ( 0.000 0.194 0.000) 0.194 2.990 ( -0.000 -0.310 0.000) 0.310 3.363 ( -0.000 -0.841 0.000) 0.841 3.607 ( -0.000 -0.850 0.000) 0.850 3.882 ( 0.000 0.505 0.000) 0.505 3.998 ( -0.000 -0.032 0.000) 0.032 4.821 ( 0.000 0.358 0.000) 0.358 5.302 ( -0.000 -0.926 0.000) 0.926 5.518 ( -0.000 -3.834 0.000) 3.834 5.568 ( 0.000 0.521 0.000) 0.521 5.586 ( 0.000 0.031 0.000) 0.031 5.939 ( -0.000 -0.600 0.000) 0.600 6.235 ( 0.000 0.686 0.000) 0.686 6.321 ( 0.000 2.079 0.000) 2.079 6.531 ( 0.000 0.857 0.000) 0.857 6.730 ( -0.000 -1.896 0.000) 1.896 7.626 ( 0.000 1.556 0.000) 1.556 7.781 ( 0.000 1.040 0.000) 1.040 8.058 ( -0.000 -1.562 0.000) 1.562 8.343 ( 0.000 0.584 0.000) 0.584 ======================= Grid point 77 (49/228) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -12.232 0.000 0.000) 12.232 1.845 ( -20.456 0.000 0.000) 20.456 2.005 ( -2.126 0.000 0.000) 2.126 2.841 ( 8.040 -0.000 0.000) 8.040 2.946 ( -26.924 0.000 0.000) 26.924 3.173 ( 7.538 -0.000 0.000) 7.538 3.569 ( -18.648 0.000 0.000) 18.648 3.677 ( -7.626 0.000 0.000) 7.626 3.809 ( -6.781 0.000 0.000) 6.781 4.248 ( 0.727 -0.000 0.000) 0.727 5.209 ( 0.255 -0.000 0.000) 0.255 5.388 ( 4.140 -0.000 0.000) 4.140 5.691 ( -0.964 0.000 0.000) 0.964 5.800 ( -8.397 0.000 0.000) 8.397 5.839 ( 1.302 -0.000 0.000) 1.302 6.224 ( 4.605 -0.000 0.000) 4.605 6.298 ( -0.250 0.000 0.000) 0.250 6.467 ( 3.690 -0.000 0.000) 3.690 6.507 ( -0.546 0.000 0.000) 0.546 6.852 ( 0.692 -0.000 0.000) 0.692 7.286 ( 6.774 -0.000 0.000) 6.774 7.349 ( 3.464 -0.000 0.000) 3.464 7.906 ( -6.929 0.000 0.000) 6.929 8.228 ( 1.869 -0.000 0.000) 1.869 ======================= Grid point 79 (50/228) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -6.703 0.306 0.000) 6.710 1.432 ( -22.448 0.139 0.000) 22.448 1.957 ( -2.765 -0.143 0.000) 2.768 2.379 ( -32.413 -0.022 0.000) 32.413 2.977 ( 5.617 -0.103 0.000) 5.618 3.168 ( -22.705 -0.104 0.000) 22.705 3.339 ( 8.099 0.156 0.000) 8.100 3.570 ( -2.529 -0.152 0.000) 2.534 3.665 ( -7.130 0.002 0.000) 7.130 4.230 ( -2.856 -0.142 0.000) 2.860 5.219 ( 1.078 0.222 0.000) 1.101 5.443 ( 1.086 -0.052 0.000) 1.087 5.646 ( -2.872 0.037 0.000) 2.872 5.659 ( -6.533 -0.144 0.000) 6.535 5.825 ( -2.790 0.029 0.000) 2.790 6.286 ( -1.391 -0.028 0.000) 1.391 6.362 ( 8.698 -0.248 0.000) 8.701 6.486 ( -1.804 0.026 0.000) 1.804 6.504 ( 0.397 0.063 0.000) 0.402 6.733 ( -13.437 -1.170 0.000) 13.488 7.445 ( 6.374 0.317 0.000) 6.382 7.478 ( 12.565 -0.192 0.000) 12.566 7.789 ( -4.573 -0.628 0.000) 4.616 8.263 ( 1.777 0.061 0.000) 1.778 ======================= Grid point 80 (51/228) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -3.478 2.557 0.000) 4.317 0.998 ( -22.512 0.514 0.000) 22.518 1.705 ( -36.650 0.236 0.000) 36.651 1.919 ( -2.434 -0.067 0.000) 2.435 2.736 ( -21.728 -0.159 0.000) 21.728 3.036 ( 0.293 -0.196 0.000) 0.352 3.393 ( -1.318 0.002 0.000) 1.318 3.573 ( -2.035 -0.173 0.000) 2.043 3.649 ( 9.100 -0.028 0.000) 9.100 4.147 ( -5.488 -0.207 0.000) 5.492 5.251 ( 2.140 -0.228 0.000) 2.152 5.390 ( -8.603 -1.062 0.000) 8.668 5.550 ( -5.197 -0.808 0.000) 5.259 5.601 ( -1.640 0.178 0.000) 1.650 5.740 ( -5.586 0.026 0.000) 5.586 6.203 ( -10.059 -1.735 0.000) 10.208 6.414 ( -5.633 -0.755 0.000) 5.683 6.447 ( -11.591 -0.735 0.000) 11.614 6.509 ( 3.432 1.060 0.000) 3.592 6.538 ( 5.604 -1.464 0.000) 5.793 7.560 ( 5.392 0.753 0.000) 5.445 7.729 ( 10.533 0.838 0.000) 10.567 7.758 ( 2.948 -1.365 0.000) 3.249 8.297 ( 1.862 0.190 0.000) 1.872 ======================= Grid point 81 (52/228) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -19.679 1.389 0.000) 19.728 0.618 ( -1.801 5.456 0.000) 5.745 0.977 ( -37.369 0.735 0.000) 37.376 1.893 ( -0.584 0.137 0.000) 0.600 2.383 ( -14.109 -0.019 0.000) 14.109 3.010 ( -2.130 -0.208 0.000) 2.140 3.364 ( -1.239 -0.380 0.000) 1.296 3.577 ( 1.335 -0.500 0.000) 1.426 3.817 ( 7.155 0.270 0.000) 7.160 4.045 ( -4.577 -0.138 0.000) 4.579 5.093 ( -21.637 -2.830 0.000) 21.822 5.289 ( 0.733 -0.873 0.000) 1.140 5.478 ( -2.314 -1.603 0.000) 2.815 5.580 ( -0.516 0.322 0.000) 0.609 5.636 ( -4.679 0.023 0.000) 4.680 5.999 ( -8.130 -1.878 0.000) 8.344 6.296 ( -4.841 0.571 0.000) 4.875 6.361 ( -1.609 0.568 0.000) 1.707 6.535 ( 1.076 0.820 0.000) 1.353 6.657 ( 4.356 -1.456 0.000) 4.593 7.627 ( 2.216 0.963 0.000) 2.416 7.778 ( 2.055 0.696 0.000) 2.170 7.952 ( 8.186 -0.885 0.000) 8.233 8.331 ( 1.785 0.374 0.000) 1.824 ======================= Grid point 82 (53/228) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 0.000 3.120 0.000) 3.120 0.442 ( 0.000 4.192 0.000) 4.192 0.593 ( 0.000 5.697 0.000) 5.697 1.888 ( 0.000 0.260 0.000) 0.260 2.241 ( 0.000 0.155 0.000) 0.155 2.987 ( -0.000 -0.238 0.000) 0.238 3.355 ( -0.000 -0.629 0.000) 0.629 3.598 ( -0.000 -0.740 0.000) 0.740 3.887 ( 0.000 0.408 0.000) 0.408 3.998 ( -0.000 -0.026 0.000) 0.026 4.825 ( 0.000 0.304 0.000) 0.304 5.292 ( -0.000 -0.764 0.000) 0.764 5.479 ( -0.000 -2.866 0.000) 2.866 5.573 ( 0.000 0.421 0.000) 0.421 5.587 ( 0.000 0.024 0.000) 0.024 5.932 ( -0.000 -0.451 0.000) 0.451 6.242 ( 0.000 0.523 0.000) 0.523 6.341 ( 0.000 1.426 0.000) 1.426 6.541 ( 0.000 0.865 0.000) 0.865 6.709 ( -0.000 -1.692 0.000) 1.692 7.642 ( 0.000 1.080 0.000) 1.080 7.795 ( 0.000 1.304 0.000) 1.304 8.040 ( -0.000 -1.512 0.000) 1.512 8.349 ( 0.000 0.452 0.000) 0.452 ======================= Grid point 93 (54/228) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -2.963 0.000 0.000) 2.963 1.001 ( -22.419 0.000 0.000) 22.419 1.706 ( -36.550 0.000 0.000) 36.550 1.918 ( -2.402 0.000 0.000) 2.402 2.735 ( -21.696 0.000 0.000) 21.696 3.035 ( 0.308 -0.000 0.000) 0.308 3.393 ( -1.435 0.000 0.000) 1.435 3.572 ( -2.126 0.000 0.000) 2.126 3.649 ( 9.233 -0.000 0.000) 9.233 4.146 ( -5.460 0.000 0.000) 5.460 5.250 ( 1.964 -0.000 0.000) 1.964 5.384 ( -9.088 0.000 0.000) 9.088 5.545 ( -5.384 0.000 0.000) 5.384 5.602 ( -1.618 0.000 0.000) 1.618 5.741 ( -5.591 0.000 0.000) 5.591 6.193 ( -10.938 0.000 0.000) 10.938 6.409 ( -5.555 0.000 0.000) 5.555 6.444 ( -10.296 0.000 0.000) 10.296 6.521 ( 1.231 -0.000 0.000) 1.231 6.524 ( 7.792 -0.000 0.000) 7.792 7.565 ( 5.441 -0.000 0.000) 5.441 7.735 ( 13.231 -0.000 0.000) 13.231 7.749 ( 0.430 -0.000 0.000) 0.430 8.298 ( 1.890 -0.000 0.000) 1.890 ======================= Grid point 95 (55/228) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -19.294 0.487 0.000) 19.300 0.662 ( -1.088 2.025 0.000) 2.298 0.982 ( -37.468 0.127 0.000) 37.468 1.894 ( -0.510 0.052 0.000) 0.513 2.383 ( -14.012 -0.007 0.000) 14.012 3.008 ( -2.108 -0.074 0.000) 2.109 3.361 ( -1.332 -0.129 0.000) 1.339 3.572 ( 1.258 -0.189 0.000) 1.272 3.819 ( 7.213 0.099 0.000) 7.214 4.044 ( -4.506 -0.050 0.000) 4.506 5.072 ( -20.680 -0.887 0.000) 20.699 5.282 ( 0.794 -0.311 0.000) 0.853 5.466 ( -2.562 -0.557 0.000) 2.622 5.582 ( -0.500 0.116 0.000) 0.514 5.636 ( -4.684 0.007 0.000) 4.684 5.985 ( -6.965 -0.549 0.000) 6.986 6.300 ( -4.958 0.221 0.000) 4.963 6.365 ( -1.158 0.178 0.000) 1.172 6.543 ( 0.996 0.366 0.000) 1.061 6.645 ( 4.419 -0.592 0.000) 4.458 7.635 ( 2.077 0.322 0.000) 2.102 7.785 ( 2.492 0.323 0.000) 2.513 7.945 ( 7.882 -0.371 0.000) 7.891 8.334 ( 1.798 0.133 0.000) 1.803 ======================= Grid point 96 (56/228) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 1.601 0.000) 1.601 0.479 ( 0.000 2.153 0.000) 2.153 0.643 ( 0.000 2.939 0.000) 2.939 1.891 ( 0.000 0.143 0.000) 0.143 2.242 ( 0.000 0.086 0.000) 0.086 2.985 ( -0.000 -0.128 0.000) 0.128 3.349 ( -0.000 -0.332 0.000) 0.332 3.591 ( -0.000 -0.432 0.000) 0.432 3.891 ( 0.000 0.227 0.000) 0.227 3.997 ( -0.000 -0.014 0.000) 0.014 4.828 ( 0.000 0.176 0.000) 0.176 5.285 ( -0.000 -0.433 0.000) 0.433 5.454 ( -0.000 -1.524 0.000) 1.524 5.577 ( 0.000 0.235 0.000) 0.235 5.587 ( 0.000 0.014 0.000) 0.014 5.928 ( -0.000 -0.240 0.000) 0.240 6.247 ( 0.000 0.281 0.000) 0.281 6.353 ( 0.000 0.713 0.000) 0.713 6.550 ( 0.000 0.591 0.000) 0.591 6.693 ( -0.000 -1.049 0.000) 1.049 7.651 ( 0.000 0.517 0.000) 0.517 7.808 ( 0.000 0.980 0.000) 0.980 8.025 ( -0.000 -0.997 0.000) 0.997 8.353 ( 0.000 0.244 0.000) 0.244 ======================= Grid point 110 (57/228) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 0.000 0.000) 0.000 0.491 ( 0.000 0.000 0.000) 0.000 0.660 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/228) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.161 ( 0.000 0.000 12.182) 12.182 0.489 ( 0.000 0.000 24.391) 24.391 0.835 ( 0.000 0.000 40.079) 40.079 1.725 ( 0.000 0.000 -13.175) 13.175 2.118 ( 0.000 0.000 -10.966) 10.966 2.989 ( 0.000 0.000 -3.051) 3.051 3.574 ( 0.000 0.000 10.550) 10.550 3.648 ( 0.000 0.000 2.662) 2.662 4.066 ( 0.000 0.000 6.277) 6.277 4.752 ( 0.000 0.000 -5.527) 5.527 4.937 ( 0.000 0.000 -4.455) 4.455 5.279 ( 0.000 0.000 -13.008) 13.008 5.358 ( 0.000 0.000 2.680) 2.680 5.592 ( 0.000 0.000 0.266) 0.266 5.786 ( 0.000 0.000 12.166) 12.166 5.971 ( 0.000 0.000 1.183) 1.183 6.195 ( 0.000 0.000 -1.614) 1.614 6.258 ( 0.000 0.000 2.150) 2.150 6.790 ( 0.000 0.000 0.511) 0.511 7.428 ( 0.000 0.000 -16.091) 16.091 7.450 ( 0.000 0.000 0.400) 0.400 7.561 ( 0.000 0.000 -1.129) 1.129 7.981 ( 0.000 0.000 10.372) 10.372 8.307 ( 0.000 0.000 -0.295) 0.295 ======================= Grid point 206 (59/228) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 10.686 -1.861 8.995) 14.091 0.665 ( 15.942 -0.573 17.597) 23.752 1.183 ( 30.328 -0.553 27.119) 40.688 1.745 ( 2.060 0.014 -12.622) 12.789 2.260 ( 13.846 -0.051 -11.608) 18.068 3.003 ( 1.340 0.070 -3.707) 3.943 3.563 ( -0.440 0.419 11.930) 11.945 3.642 ( -0.287 0.005 4.197) 4.207 4.072 ( -23.231 0.944 17.316) 28.990 4.115 ( 4.574 -0.012 5.766) 7.360 5.204 ( -5.676 0.481 -12.852) 14.058 5.362 ( 8.485 4.722 -16.204) 18.891 5.419 ( 4.821 -1.949 -1.054) 5.306 5.696 ( 2.463 0.957 0.197) 2.650 5.776 ( -1.095 -0.724 12.420) 12.489 6.096 ( 8.586 0.135 -11.216) 14.125 6.247 ( 4.141 -0.175 -3.574) 5.472 6.317 ( 4.193 -0.063 -1.388) 4.417 6.765 ( -2.293 0.498 2.444) 3.388 7.345 ( 3.125 21.564 1.642) 21.851 7.532 ( -1.988 -1.115 -2.897) 3.686 7.678 ( 9.256 -7.824 -16.272) 20.289 7.871 ( -9.762 -1.638 12.022) 15.573 8.295 ( -1.288 -0.157 -0.654) 1.454 ======================= Grid point 207 (60/228) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 14.049 -1.520 7.687) 16.086 1.028 ( 20.633 -0.525 9.242) 22.614 1.786 ( 9.933 0.139 -7.745) 12.596 1.846 ( 28.941 -0.546 12.568) 31.557 2.578 ( 16.713 -0.074 -15.107) 22.529 3.044 ( 3.918 0.271 -2.521) 4.667 3.555 ( -0.987 0.423 13.174) 13.218 3.657 ( 2.259 -0.121 6.647) 7.022 3.756 ( -11.458 0.219 8.453) 14.240 4.216 ( 5.248 0.142 4.489) 6.907 5.091 ( -5.246 0.119 -13.195) 14.200 5.440 ( 2.442 3.081 -9.998) 10.743 5.524 ( 5.010 -1.633 0.404) 5.285 5.692 ( -0.535 -0.141 -2.379) 2.442 5.768 ( 0.059 -0.581 12.307) 12.321 6.219 ( 5.246 0.610 -6.603) 8.456 6.301 ( 0.523 -0.620 -7.251) 7.297 6.363 ( 0.771 -0.405 -4.657) 4.738 6.708 ( -3.108 0.698 7.464) 8.115 7.283 ( -0.002 10.374 4.414) 11.274 7.476 ( -4.531 -1.326 -0.765) 4.783 7.683 ( -10.140 -1.392 10.249) 14.485 7.846 ( 7.117 2.891 -13.115) 15.199 8.263 ( -1.989 -0.123 -1.580) 2.543 ======================= Grid point 208 (61/228) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 15.814 0.050 6.603) 17.137 1.435 ( 21.369 -0.361 3.925) 21.729 1.873 ( 4.304 0.302 -9.925) 10.822 2.489 ( 32.251 -0.026 10.665) 33.968 2.767 ( 1.783 -0.120 -17.540) 17.630 3.227 ( 15.863 0.421 0.095) 15.869 3.444 ( -9.658 -0.326 12.058) 15.453 3.675 ( 2.296 0.695 5.865) 6.336 3.736 ( 5.603 -0.249 6.626) 8.681 4.287 ( 1.868 0.287 2.315) 2.988 5.018 ( -2.418 -0.472 -11.408) 11.671 5.407 ( -4.121 0.481 -4.537) 6.148 5.629 ( 4.487 -0.330 0.389) 4.516 5.697 ( 0.240 -0.062 -9.272) 9.275 5.789 ( 2.065 -1.171 9.963) 10.241 6.256 ( -1.821 0.767 -5.487) 5.832 6.317 ( 2.137 -0.261 -2.577) 3.358 6.378 ( 1.550 -0.539 -6.241) 6.453 6.634 ( -4.614 -0.090 11.226) 12.138 7.225 ( -1.683 5.757 7.547) 9.640 7.375 ( -6.707 -2.621 3.301) 7.921 7.523 ( -6.546 0.482 4.197) 7.791 7.934 ( 4.802 4.735 -9.743) 11.849 8.223 ( -2.245 -0.120 -2.847) 3.628 ======================= Grid point 209 (62/228) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 16.167 1.933 5.148) 17.077 1.830 ( 19.117 -0.124 -0.104) 19.118 1.949 ( 4.044 0.521 -7.230) 8.301 2.720 ( -4.736 0.064 -12.090) 12.985 3.050 ( 26.132 0.591 6.647) 26.971 3.275 ( -7.169 -0.168 10.325) 12.571 3.547 ( 15.565 0.256 -2.974) 15.848 3.759 ( 6.292 0.394 5.707) 8.504 3.856 ( 6.111 -0.363 5.276) 8.081 4.282 ( -1.770 0.409 -0.352) 1.850 5.001 ( -0.176 -1.379 -8.337) 8.452 5.309 ( -5.639 -0.954 -1.894) 6.024 5.648 ( -2.651 0.286 -4.723) 5.423 5.680 ( -2.304 -0.164 -11.662) 11.888 5.884 ( 6.837 -1.277 6.541) 9.548 6.230 ( 0.587 0.504 -0.434) 0.887 6.330 ( -0.222 0.768 -2.928) 3.035 6.439 ( 3.587 -0.201 -2.731) 4.512 6.538 ( -5.374 -1.265 13.002) 14.125 7.121 ( -7.072 1.865 13.571) 15.416 7.296 ( -2.187 -0.794 3.227) 3.978 7.421 ( -3.941 1.532 -0.243) 4.235 7.983 ( 3.012 3.642 -8.180) 9.447 8.179 ( -2.513 -0.152 -4.102) 4.812 ======================= Grid point 210 (63/228) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 15.082 2.896 3.401) 15.730 1.981 ( 1.120 0.658 -6.302) 6.434 2.173 ( 14.368 0.026 -0.623) 14.381 2.618 ( -5.352 0.081 -6.946) 8.769 3.197 ( -0.271 0.204 8.663) 8.670 3.474 ( 18.619 0.945 3.203) 18.916 3.755 ( 4.626 -0.226 -4.262) 6.294 3.900 ( 8.324 0.034 4.920) 9.669 3.947 ( 3.125 -0.179 3.706) 4.851 4.244 ( -1.112 0.549 -1.719) 2.120 5.023 ( 1.512 -1.986 -6.252) 6.732 5.218 ( -4.350 -1.582 -1.317) 4.813 5.560 ( -5.341 0.409 -8.372) 9.939 5.613 ( -4.552 -0.347 -12.129) 12.960 6.034 ( 7.432 -1.101 2.595) 7.949 6.279 ( 4.457 0.624 3.366) 5.620 6.310 ( -1.081 1.277 -2.813) 3.273 6.462 ( -2.392 -1.478 13.560) 13.849 6.497 ( 1.655 -0.132 1.400) 2.172 6.959 ( -8.923 0.024 16.775) 19.000 7.280 ( -0.001 0.790 2.734) 2.846 7.350 ( -2.624 1.420 -1.369) 3.283 8.011 ( 1.617 1.995 -7.586) 8.009 8.130 ( -2.683 -0.244 -5.191) 5.849 ======================= Grid point 211 (64/228) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 12.342 2.319 1.275) 12.623 1.962 ( -2.987 0.330 -3.942) 4.957 2.373 ( 6.622 -0.043 -0.294) 6.629 2.527 ( -4.066 0.077 -2.951) 5.024 3.278 ( 8.781 0.621 4.896) 10.073 3.703 ( -8.790 -0.755 -1.643) 8.975 3.757 ( 11.810 0.625 0.551) 11.839 3.984 ( 0.040 0.068 0.180) 0.197 4.057 ( 7.529 -0.169 3.610) 8.351 4.229 ( -1.041 0.544 -0.975) 1.526 5.074 ( 2.359 -1.345 -5.086) 5.766 5.168 ( -1.888 -1.380 -1.996) 3.075 5.473 ( -2.945 0.481 -9.517) 9.973 5.524 ( -4.517 -0.388 -11.842) 12.680 6.155 ( 4.213 -1.214 -2.201) 4.906 6.279 ( -1.440 1.263 -3.278) 3.796 6.376 ( 5.559 0.432 4.242) 7.006 6.473 ( 3.101 -1.135 17.534) 17.842 6.508 ( -0.593 -0.078 3.497) 3.548 6.783 ( -9.396 0.240 18.724) 20.951 7.277 ( 0.133 1.099 1.644) 1.982 7.307 ( -1.149 0.480 -0.694) 1.426 8.026 ( 1.043 0.893 -7.273) 7.401 8.083 ( -2.301 -0.340 -6.117) 6.544 ======================= Grid point 212 (65/228) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 -0.000 -0.981) 0.981 1.871 ( 0.000 -0.000 -1.601) 1.601 2.449 ( 0.000 -0.000 -0.489) 0.489 2.468 ( -0.000 -0.000 -0.573) 0.573 3.469 ( 0.000 -0.000 1.041) 1.041 3.512 ( -0.000 -0.000 0.874) 0.874 3.914 ( -0.000 -0.000 0.138) 0.138 3.937 ( 0.000 -0.000 -0.983) 0.983 4.175 ( -0.000 0.000 0.856) 0.856 4.176 ( 0.000 -0.000 1.390) 1.390 5.105 ( -0.000 -0.000 -3.530) 3.530 5.156 ( 0.000 -0.000 -3.528) 3.528 5.450 ( 0.000 -0.000 -10.650) 10.650 5.470 ( -0.000 -0.000 -10.876) 10.876 6.207 ( 0.000 -0.000 -3.049) 3.049 6.249 ( 0.000 -0.000 -4.221) 4.221 6.457 ( -0.000 -0.000 3.216) 3.216 6.471 ( 0.000 -0.000 3.206) 3.206 6.591 ( 0.000 -0.000 20.873) 20.873 6.617 ( 0.000 -0.000 19.599) 19.599 7.273 ( 0.000 -0.000 0.433) 0.433 7.297 ( 0.000 -0.000 0.476) 0.476 8.041 ( 0.000 -0.000 -6.881) 6.881 8.053 ( 0.000 -0.000 -6.776) 6.776 ======================= Grid point 221 (66/228) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 14.596 -0.000 7.858) 16.577 1.025 ( 20.745 -0.000 9.255) 22.716 1.787 ( 10.390 -0.000 -7.415) 12.765 1.843 ( 28.669 -0.000 12.327) 31.207 2.577 ( 16.702 -0.000 -15.175) 22.567 3.045 ( 3.953 -0.000 -2.491) 4.672 3.558 ( -1.214 0.000 13.348) 13.403 3.656 ( 2.245 -0.000 6.590) 6.962 3.757 ( -11.447 0.000 8.428) 14.215 4.217 ( 5.275 -0.000 4.446) 6.899 5.092 ( -5.386 0.000 -13.155) 14.215 5.462 ( 0.760 -0.000 -11.969) 11.993 5.511 ( 6.009 -0.000 2.558) 6.531 5.691 ( -0.593 0.000 -2.407) 2.479 5.765 ( 0.007 -0.000 12.233) 12.233 6.223 ( 5.506 -0.000 -6.810) 8.757 6.297 ( 0.316 -0.000 -6.975) 6.982 6.361 ( 0.752 -0.000 -4.941) 4.998 6.712 ( -3.270 0.000 7.486) 8.169 7.348 ( -3.681 0.000 1.315) 3.909 7.466 ( -4.893 0.000 -0.023) 4.893 7.674 ( -9.501 0.000 12.016) 15.319 7.865 ( 8.356 -0.000 -14.588) 16.812 8.262 ( -1.966 0.000 -1.555) 2.507 ======================= Grid point 222 (67/228) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 16.605 0.025 6.611) 17.873 1.432 ( 21.499 -0.126 3.945) 21.858 1.875 ( 4.343 0.106 -9.945) 10.852 2.488 ( 32.589 -0.006 10.831) 34.342 2.766 ( 1.784 -0.050 -17.749) 17.838 3.230 ( 15.806 0.149 0.153) 15.807 3.441 ( -9.694 -0.113 12.114) 15.516 3.680 ( 2.171 0.285 5.757) 6.160 3.733 ( 5.596 -0.129 6.750) 8.769 4.289 ( 1.886 0.102 2.201) 2.900 5.014 ( -2.702 -0.181 -11.207) 11.530 5.411 ( -5.030 0.192 -4.201) 6.556 5.626 ( 5.024 -0.169 0.559) 5.057 5.697 ( 0.304 -0.010 -9.490) 9.495 5.780 ( 1.907 -0.429 9.710) 9.905 6.263 ( -2.577 0.361 -6.084) 6.617 6.314 ( 3.185 -0.191 -2.097) 3.818 6.374 ( 1.610 -0.190 -6.341) 6.545 6.634 ( -5.113 -0.028 11.269) 12.374 7.283 ( -2.526 3.917 4.357) 6.380 7.343 ( -7.764 -2.831 6.034) 10.232 7.527 ( -5.885 0.129 4.529) 7.427 7.974 ( 4.203 1.939 -10.614) 11.579 8.222 ( -2.234 -0.042 -2.811) 3.591 ======================= Grid point 223 (68/228) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 16.741 1.049 5.016) 17.508 1.829 ( 19.268 -0.066 -0.016) 19.268 1.954 ( 4.075 0.280 -7.224) 8.299 2.720 ( -4.747 0.040 -12.206) 13.097 3.055 ( 26.417 0.326 6.657) 27.245 3.273 ( -7.016 -0.092 10.356) 12.509 3.549 ( 15.437 0.133 -2.911) 15.710 3.762 ( 6.078 0.253 5.599) 8.268 3.852 ( 6.094 -0.239 5.462) 8.187 4.286 ( -1.742 0.223 -0.538) 1.837 4.988 ( -0.511 -0.797 -7.924) 7.981 5.301 ( -6.033 -0.530 -1.623) 6.270 5.651 ( -2.569 0.141 -4.566) 5.241 5.678 ( -2.430 -0.080 -11.816) 12.063 5.872 ( 7.115 -0.738 6.030) 9.356 6.235 ( 0.583 0.278 -0.430) 0.776 6.337 ( 0.119 0.449 -3.737) 3.765 6.438 ( 3.803 -0.081 -2.417) 4.507 6.527 ( -5.737 -0.724 13.492) 14.679 7.138 ( -9.156 1.138 13.477) 16.332 7.288 ( -0.628 -0.535 3.227) 3.331 7.434 ( -3.912 0.750 -0.061) 3.984 8.018 ( 1.924 2.214 -8.542) 9.032 8.177 ( -2.531 -0.084 -4.072) 4.796 ======================= Grid point 224 (69/228) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 14.983 1.923 3.220) 15.445 1.988 ( 1.100 0.443 -6.175) 6.288 2.173 ( 14.352 0.022 -0.514) 14.362 2.619 ( -5.354 0.055 -6.968) 8.788 3.199 ( -0.045 0.142 8.634) 8.635 3.483 ( 18.556 0.676 3.105) 18.826 3.753 ( 4.218 -0.159 -4.163) 5.929 3.900 ( 8.157 0.009 4.936) 9.534 3.945 ( 3.434 -0.123 3.843) 5.155 4.249 ( -1.104 0.367 -1.922) 2.247 5.003 ( 1.570 -1.412 -5.765) 6.139 5.203 ( -4.376 -1.082 -1.117) 4.644 5.564 ( -5.283 0.320 -8.456) 9.976 5.609 ( -4.607 -0.278 -12.171) 13.017 6.023 ( 7.479 -0.750 2.082) 7.800 6.285 ( 4.443 0.414 3.385) 5.601 6.325 ( -0.919 1.133 -3.859) 4.125 6.446 ( -2.500 -1.237 15.369) 15.621 6.496 ( 1.866 -0.056 0.813) 2.036 6.959 ( -9.197 -0.029 16.646) 19.018 7.287 ( 0.296 0.503 2.900) 2.959 7.364 ( -2.970 0.948 -1.273) 3.367 8.031 ( 0.759 1.502 -7.664) 7.846 8.127 ( -2.731 -0.176 -5.169) 5.849 ======================= Grid point 225 (70/228) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 11.588 1.773 1.122) 11.776 1.965 ( -3.429 0.236 -3.773) 5.104 2.372 ( 6.591 -0.027 -0.208) 6.594 2.527 ( -4.086 0.050 -2.920) 5.022 3.284 ( 8.957 0.521 4.846) 10.197 3.695 ( -8.875 -0.621 -1.535) 9.029 3.763 ( 11.541 0.521 0.349) 11.558 3.984 ( -0.052 0.057 0.324) 0.333 4.055 ( 7.420 -0.154 3.715) 8.300 4.235 ( -1.094 0.428 -1.124) 1.626 5.061 ( 3.226 -1.014 -4.884) 5.940 5.153 ( -1.563 -1.154 -1.805) 2.652 5.478 ( -2.925 0.461 -9.699) 10.140 5.520 ( -4.531 -0.382 -11.776) 12.624 6.143 ( 4.295 -0.926 -2.223) 4.924 6.293 ( -1.640 1.159 -3.950) 4.431 6.381 ( 5.336 0.371 4.078) 6.726 6.460 ( 3.538 -1.055 18.866) 19.224 6.507 ( -0.716 -0.045 2.970) 3.055 6.785 ( -9.110 0.102 18.661) 20.767 7.288 ( 0.032 0.823 1.862) 2.036 7.313 ( -1.793 0.393 -0.821) 2.011 8.036 ( 0.624 0.798 -7.259) 7.329 8.079 ( -2.339 -0.292 -6.104) 6.543 ======================= Grid point 226 (71/228) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.893 -0.358 -0.975) 5.984 1.873 ( 4.105 0.235 -1.601) 4.413 2.450 ( 0.364 0.145 -0.495) 0.632 2.467 ( -0.367 -0.154 -0.570) 0.695 3.469 ( -5.116 0.046 1.051) 5.223 3.512 ( 5.173 -0.039 0.867) 5.245 3.915 ( -1.400 0.164 0.108) 1.414 3.937 ( 1.001 -0.157 -0.950) 1.389 4.171 ( 4.334 -0.367 1.232) 4.521 4.180 ( -4.589 0.356 1.014) 4.714 5.108 ( 0.800 0.447 -3.533) 3.650 5.153 ( 1.031 -0.403 -3.540) 3.709 5.450 ( -0.854 -0.045 -10.620) 10.654 5.471 ( 0.757 0.055 -10.903) 10.930 6.204 ( 1.637 -0.390 -3.053) 3.486 6.252 ( -1.614 0.432 -4.281) 4.596 6.458 ( -0.649 0.180 3.275) 3.344 6.471 ( 0.586 0.005 3.198) 3.251 6.589 ( 5.344 -0.366 20.741) 21.422 6.617 ( -5.014 0.131 19.748) 20.375 7.273 ( -0.913 -0.016 0.370) 0.986 7.297 ( -0.108 -0.022 0.544) 0.555 8.040 ( -1.170 -0.198 -6.863) 6.965 8.055 ( 0.943 0.243 -6.793) 6.862 ======================= Grid point 227 (72/228) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -13.231 -2.442 1.462) 13.534 1.958 ( 2.523 -0.369 -4.126) 4.850 2.373 ( -6.669 0.054 -0.389) 6.681 2.526 ( 4.060 -0.094 -2.985) 5.040 3.271 ( -8.611 -0.593 4.954) 9.952 3.712 ( 8.722 0.737 -1.767) 8.930 3.750 ( -12.104 -0.598 0.740) 12.141 3.983 ( -0.122 -0.070 0.045) 0.148 4.059 ( -7.668 0.149 3.503) 8.432 4.223 ( 0.975 -0.556 -0.815) 1.387 5.090 ( -1.597 1.433 -5.350) 5.764 5.183 ( 2.415 1.316 -2.184) 3.512 5.467 ( 2.946 -0.419 -9.284) 9.749 5.528 ( 4.522 0.332 -11.943) 12.775 6.170 ( -4.132 1.291 -2.196) 4.854 6.265 ( 1.399 -1.150 -2.984) 3.490 6.371 ( -5.865 -0.375 4.473) 7.385 6.485 ( -2.731 1.008 16.574) 16.828 6.509 ( 0.468 0.096 4.005) 4.033 6.780 ( 9.720 -0.382 18.761) 21.133 7.264 ( -0.445 -1.165 1.449) 1.912 7.302 ( 0.602 -0.479 -0.574) 0.960 8.017 ( -1.471 -0.798 -7.291) 7.480 8.086 ( 2.263 0.329 -6.130) 6.542 ======================= Grid point 228 (73/228) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -15.200 -3.381 3.660) 15.996 1.973 ( -1.151 -0.756 -6.459) 6.604 2.173 ( -14.383 -0.021 -0.754) 14.403 2.617 ( 5.353 -0.094 -6.915) 8.745 3.194 ( 0.543 -0.223 8.694) 8.714 3.462 ( -18.698 -1.011 3.307) 19.015 3.758 ( -5.142 0.243 -4.406) 6.776 3.900 ( -8.493 -0.059 4.929) 9.819 3.949 ( -2.780 0.198 3.536) 4.502 4.237 ( 1.122 -0.632 -1.480) 1.961 5.047 ( -1.472 2.126 -6.841) 7.314 5.238 ( 4.309 1.782 -1.580) 4.923 5.555 ( 5.379 -0.412 -8.192) 9.809 5.617 ( 4.501 0.337 -12.154) 12.964 6.047 ( -7.418 1.245 3.291) 8.210 6.271 ( -4.485 -0.738 3.398) 5.675 6.297 ( 1.190 -1.118 -2.386) 2.891 6.479 ( 2.120 1.392 11.291) 11.572 6.500 ( -1.119 0.264 2.956) 3.172 6.958 ( 8.611 -0.129 16.877) 18.947 7.269 ( 0.434 -1.070 2.536) 2.787 7.332 ( 2.069 -1.544 -1.472) 2.972 7.987 ( -2.571 -1.981 -7.501) 8.173 8.132 ( 2.631 0.262 -5.214) 5.846 ======================= Grid point 229 (74/228) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -15.267 -2.470 5.362) 16.368 1.832 ( -18.887 0.161 -0.238) 18.889 1.942 ( -4.011 -0.679 -7.227) 8.294 2.719 ( 4.743 -0.067 -11.920) 12.830 3.042 ( -25.765 -0.751 6.621) 26.612 3.277 ( 7.393 0.213 10.287) 12.670 3.543 ( -15.759 -0.350 -3.065) 16.058 3.754 ( -6.547 -0.401 5.849) 8.788 3.860 ( -6.182 0.355 5.022) 7.972 4.277 ( 1.816 -0.520 -0.096) 1.891 5.018 ( -0.311 1.632 -8.902) 9.055 5.322 ( 5.055 1.174 -2.299) 5.676 5.644 ( 2.675 -0.422 -4.852) 5.557 5.682 ( 2.206 0.231 -11.537) 11.749 5.900 ( -6.511 1.497 7.316) 9.907 6.224 ( -0.547 -0.643 -0.434) 0.949 6.320 ( 0.552 -0.887 -2.052) 2.303 6.443 ( -3.342 0.336 -3.082) 4.559 6.555 ( 5.000 1.545 12.496) 13.548 7.098 ( 4.803 -2.081 13.777) 14.738 7.305 ( 3.747 0.741 3.241) 5.009 7.399 ( 3.868 -2.202 -0.685) 4.504 7.939 ( -4.241 -3.925 -7.666) 9.600 8.181 ( 2.492 0.192 -4.139) 4.835 ======================= Grid point 230 (75/228) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -14.331 0.024 6.590) 15.773 1.440 ( -21.131 0.536 3.895) 21.493 1.869 ( -4.222 -0.450 -9.885) 10.758 2.489 ( -31.692 0.041 10.410) 33.358 2.769 ( -1.748 0.125 -17.207) 17.296 3.221 ( -15.978 -0.621 -0.010) 15.990 3.449 ( 9.639 0.494 11.976) 15.381 3.666 ( -2.456 -0.835 6.006) 6.542 3.738 ( -5.704 0.170 6.446) 8.609 4.283 ( -1.836 -0.419 2.512) 3.139 5.025 ( 1.911 0.612 -11.735) 11.906 5.400 ( 2.694 -0.598 -5.126) 5.822 5.632 ( -3.828 0.128 0.112) 3.832 5.698 ( -0.130 0.179 -8.973) 8.976 5.806 ( -2.287 1.605 10.477) 10.843 6.247 ( 1.242 -0.742 -4.945) 5.152 6.319 ( -1.134 -0.092 -2.932) 3.145 6.386 ( -1.376 0.815 -5.986) 6.196 6.636 ( 3.693 0.163 11.122) 11.720 7.153 ( -1.323 -6.660 9.895) 12.001 7.402 ( 6.188 1.974 1.699) 6.714 7.515 ( 7.721 -1.005 3.353) 8.477 7.875 ( -5.066 -5.193 -8.136) 10.901 8.225 ( 2.268 0.184 -2.905) 3.690 ======================= Grid point 231 (76/228) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -12.538 2.828 7.252) 14.758 1.036 ( -20.321 0.960 9.208) 22.330 1.784 ( -8.923 -0.222 -8.430) 12.277 1.855 ( -29.448 0.919 13.007) 32.206 2.579 ( -16.744 0.110 -14.914) 22.423 3.039 ( -3.822 -0.503 -2.612) 4.656 3.549 ( 0.427 -0.607 12.794) 12.815 3.658 ( -2.347 0.049 6.700) 7.100 3.753 ( 11.507 -0.317 8.539) 14.333 4.214 ( -5.175 -0.264 4.603) 6.931 5.089 ( 4.872 -0.251 -13.287) 14.154 5.400 ( -4.363 -3.642 -9.754) 11.289 5.539 ( -4.902 0.924 -0.256) 4.995 5.694 ( 0.306 0.216 -2.351) 2.381 5.778 ( -0.196 1.047 12.530) 12.575 6.210 ( -4.897 -0.863 -6.136) 7.898 6.309 ( -0.832 0.628 -7.846) 7.915 6.370 ( -0.807 0.822 -3.866) 4.034 6.696 ( 2.625 -1.307 7.432) 7.990 7.132 ( -7.417 -14.962 9.084) 19.010 7.492 ( 4.143 1.365 -1.164) 4.515 7.701 ( 11.150 1.431 6.746) 13.110 7.809 ( -4.203 -3.030 -9.467) 10.792 8.265 ( 2.053 0.234 -1.646) 2.641 ======================= Grid point 232 (77/228) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -9.330 4.969 7.699) 13.077 0.678 ( -15.406 1.590 17.395) 23.291 1.194 ( -30.004 1.438 26.559) 40.096 1.745 ( -2.009 -0.004 -12.542) 12.702 2.262 ( -13.814 0.131 -11.546) 18.004 3.001 ( -1.251 -0.229 -3.745) 3.955 3.554 ( 0.290 -1.066 11.969) 12.020 3.641 ( 0.194 -0.100 4.345) 4.351 4.053 ( 20.640 -2.238 16.915) 26.779 4.115 ( -4.345 -0.042 5.918) 7.342 5.192 ( 3.191 -1.754 -13.084) 13.581 5.290 ( -10.249 -7.223 -13.696) 18.568 5.434 ( -5.537 0.621 -1.800) 5.855 5.680 ( -3.905 -1.557 1.036) 4.329 5.788 ( 1.963 1.150 11.822) 12.039 6.092 ( -8.541 -0.702 -9.541) 12.824 6.250 ( -4.286 0.312 -3.902) 5.805 6.319 ( -4.233 0.341 -0.202) 4.251 6.753 ( 2.191 -1.523 2.324) 3.538 7.048 ( -12.652 -25.788 11.050) 30.777 7.544 ( 2.087 1.173 -2.062) 3.160 7.745 ( -2.281 3.567 -8.858) 9.818 7.898 ( 9.736 2.399 4.924) 11.171 8.298 ( 1.446 0.380 -0.780) 1.686 ======================= Grid point 233 (78/228) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 0.000 5.425 10.020) 11.395 0.500 ( 0.000 1.943 23.780) 23.859 0.844 ( 0.000 1.409 39.551) 39.576 1.725 ( 0.000 0.048 -13.166) 13.166 2.119 ( 0.000 0.124 -10.944) 10.945 2.989 ( -0.000 -0.016 -3.095) 3.095 3.568 ( -0.000 -0.987 10.852) 10.897 3.648 ( -0.000 -0.110 2.752) 2.754 4.066 ( -0.000 -0.002 6.284) 6.284 4.753 ( 0.000 0.130 -5.531) 5.532 4.764 ( -0.000 -24.839 11.005) 27.168 5.291 ( 0.000 0.897 -14.116) 14.144 5.356 ( -0.000 -0.394 2.675) 2.704 5.592 ( -0.000 -0.065 0.222) 0.231 5.807 ( 0.000 2.735 10.681) 11.026 5.969 ( -0.000 -0.228 1.240) 1.261 6.197 ( 0.000 0.347 -1.623) 1.660 6.260 ( 0.000 0.491 2.229) 2.282 6.784 ( -0.000 -1.092 0.441) 1.178 7.055 ( -0.000 -31.537 11.803) 33.673 7.557 ( 0.000 1.028 -2.574) 2.772 7.679 ( 0.000 11.236 -10.494) 15.375 7.996 ( 0.000 1.931 5.294) 5.635 8.310 ( 0.000 0.522 -0.540) 0.751 ======================= Grid point 236 (79/228) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 16.938 -0.000 4.973) 17.653 1.829 ( 19.320 -0.000 0.015) 19.320 1.956 ( 4.087 -0.000 -7.220) 8.297 2.721 ( -4.755 0.000 -12.247) 13.137 3.057 ( 26.524 -0.000 6.659) 27.347 3.273 ( -6.962 0.000 10.368) 12.488 3.550 ( 15.393 -0.000 -2.889) 15.662 3.764 ( 5.992 -0.000 5.557) 8.172 3.851 ( 6.097 -0.000 5.533) 8.233 4.287 ( -1.733 0.000 -0.606) 1.836 4.983 ( -0.630 0.000 -7.772) 7.798 5.298 ( -6.173 0.000 -1.528) 6.359 5.652 ( -2.524 0.000 -4.495) 5.155 5.678 ( -2.490 0.000 -11.888) 12.146 5.868 ( 7.226 -0.000 5.854) 9.300 6.237 ( 0.575 -0.000 -0.427) 0.717 6.339 ( 0.267 -0.000 -4.078) 4.087 6.437 ( 3.898 -0.000 -2.293) 4.523 6.522 ( -5.902 0.000 13.709) 14.925 7.145 ( -10.080 0.000 13.465) 16.820 7.285 ( 0.105 -0.000 3.215) 3.216 7.438 ( -3.889 0.000 -0.017) 3.889 8.031 ( 1.488 -0.000 -8.674) 8.801 8.177 ( -2.539 0.000 -4.061) 4.789 ======================= Grid point 237 (80/228) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 14.927 0.670 3.129) 15.266 1.991 ( 1.092 0.156 -6.104) 6.203 2.173 ( 14.343 0.009 -0.453) 14.350 2.620 ( -5.356 0.019 -6.980) 8.798 3.200 ( 0.084 0.051 8.615) 8.616 3.489 ( 18.521 0.246 3.044) 18.771 3.751 ( 3.993 -0.057 -4.114) 5.734 3.900 ( 8.053 -0.000 4.955) 9.456 3.944 ( 3.617 -0.044 3.920) 5.334 4.252 ( -1.100 0.128 -2.040) 2.321 4.992 ( 1.613 -0.511 -5.489) 5.744 5.194 ( -4.388 -0.384 -1.010) 4.519 5.567 ( -5.239 0.125 -8.460) 9.952 5.607 ( -4.647 -0.111 -12.238) 13.091 6.017 ( 7.518 -0.265 1.814) 7.738 6.288 ( 4.440 0.145 3.416) 5.604 6.335 ( -0.759 0.491 -5.170) 5.248 6.436 ( -2.613 -0.522 16.994) 17.202 6.496 ( 1.952 -0.014 0.573) 2.035 6.959 ( -9.355 -0.019 16.558) 19.018 7.291 ( 0.434 0.175 3.012) 3.048 7.371 ( -3.121 0.327 -1.231) 3.371 8.043 ( 0.250 0.561 -7.711) 7.735 8.126 ( -2.763 -0.066 -5.154) 5.849 ======================= Grid point 238 (81/228) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 11.093 0.952 1.023) 11.180 1.967 ( -3.751 0.120 -3.653) 5.237 2.372 ( 6.574 -0.012 -0.149) 6.576 2.528 ( -4.109 0.023 -2.899) 5.029 3.289 ( 9.094 0.298 4.813) 10.294 3.689 ( -8.949 -0.352 -1.464) 9.075 3.768 ( 11.353 0.297 0.190) 11.358 3.985 ( -0.131 0.034 0.436) 0.456 4.053 ( 7.359 -0.094 3.796) 8.281 4.239 ( -1.126 0.234 -1.231) 1.684 5.052 ( 3.932 -0.537 -4.764) 6.200 5.142 ( -1.429 -0.659 -1.659) 2.286 5.483 ( -2.873 0.311 -9.788) 10.205 5.516 ( -4.579 -0.266 -11.768) 12.630 6.135 ( 4.351 -0.496 -2.248) 4.922 6.304 ( -1.924 0.734 -4.875) 5.292 6.384 ( 5.204 0.208 3.997) 6.565 6.450 ( 3.968 -0.670 20.251) 20.647 6.507 ( -0.802 -0.018 2.587) 2.709 6.786 ( -8.918 0.024 18.602) 20.629 7.296 ( 0.092 0.430 2.045) 2.091 7.316 ( -2.351 0.225 -0.928) 2.538 8.044 ( 0.328 0.487 -7.255) 7.279 8.076 ( -2.383 -0.182 -6.089) 6.541 ======================= Grid point 239 (82/228) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -8.863 -0.374 -0.950) 8.921 1.875 ( 5.639 0.220 -1.613) 5.869 2.452 ( 0.916 0.255 -0.514) 1.081 2.464 ( -0.920 -0.266 -0.559) 1.110 3.470 ( -9.490 0.059 1.075) 9.551 3.511 ( 9.593 -0.051 0.851) 9.630 3.918 ( -3.178 0.265 0.032) 3.190 3.934 ( 2.458 -0.256 -0.872) 2.621 4.167 ( 4.249 -0.259 1.353) 4.467 4.183 ( -4.708 0.245 0.892) 4.799 5.115 ( 1.363 0.788 -3.535) 3.869 5.147 ( 1.936 -0.733 -3.573) 4.129 5.449 ( -1.453 -0.052 -10.558) 10.658 5.471 ( 1.278 0.066 -10.958) 11.033 6.199 ( 2.444 -0.394 -3.055) 3.932 6.258 ( -2.418 0.444 -4.426) 5.063 6.461 ( -1.356 0.296 3.404) 3.676 6.470 ( 1.236 -0.053 3.174) 3.407 6.584 ( 8.016 -0.421 20.556) 22.068 6.619 ( -7.401 0.119 19.980) 21.306 7.273 ( -1.643 -0.019 0.228) 1.659 7.297 ( -0.197 -0.028 0.696) 0.724 8.037 ( -1.600 -0.176 -6.842) 7.029 8.058 ( 1.190 0.232 -6.813) 6.920 ======================= Grid point 240 (83/228) ======================= q-point: (-0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -14.078 -2.050 1.645) 14.321 1.954 ( 2.128 -0.323 -4.288) 4.798 2.374 ( -6.722 0.052 -0.475) 6.739 2.524 ( 4.070 -0.088 -3.017) 5.067 3.265 ( -8.478 -0.458 5.006) 9.856 3.720 ( 8.681 0.581 -1.882) 8.901 3.743 ( -12.366 -0.461 0.883) 12.406 3.982 ( -0.183 -0.061 -0.055) 0.200 4.060 ( -7.807 0.107 3.415) 8.522 4.217 ( 0.910 -0.455 -0.676) 1.222 5.106 ( -1.092 1.214 -5.622) 5.854 5.197 ( 3.040 1.008 -2.332) 3.961 5.463 ( 2.943 -0.304 -9.059) 9.530 5.532 ( 4.529 0.240 -12.048) 12.874 6.184 ( -4.122 1.113 -2.201) 4.803 6.253 ( 1.532 -0.900 -2.950) 3.444 6.368 ( -6.213 -0.240 4.730) 7.812 6.496 ( -2.464 0.765 16.176) 16.380 6.510 ( 0.396 0.070 4.201) 4.220 6.775 ( 10.012 -0.424 18.769) 21.276 7.251 ( -0.859 -0.974 1.299) 1.837 7.297 ( 0.217 -0.387 -0.466) 0.643 8.009 ( -1.815 -0.576 -7.308) 7.552 8.090 ( 2.226 0.260 -6.140) 6.536 ======================= Grid point 241 (84/228) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -15.307 -3.200 3.957) 16.130 1.965 ( -1.191 -0.705 -6.614) 6.757 2.172 ( -14.394 -0.012 -0.881) 14.421 2.616 ( 5.358 -0.088 -6.880) 8.720 3.192 ( 0.807 -0.198 8.717) 8.757 3.451 ( -18.782 -0.882 3.393) 19.106 3.760 ( -5.668 0.209 -4.572) 7.285 3.899 ( -8.615 -0.065 4.969) 9.946 3.951 ( -2.476 0.173 3.364) 4.181 4.230 ( 1.134 -0.589 -1.253) 1.790 5.070 ( -1.459 1.844 -7.411) 7.775 5.258 ( 4.248 1.628 -1.860) 4.914 5.551 ( 5.380 -0.351 -7.968) 9.620 5.621 ( 4.466 0.277 -12.227) 13.020 6.061 ( -7.456 1.141 4.048) 8.560 6.263 ( -4.525 -0.705 3.446) 5.731 6.285 ( 1.256 -0.823 -2.304) 2.750 6.493 ( 0.634 0.904 5.613) 5.721 6.504 ( 0.736 0.579 8.241) 8.294 6.956 ( 8.355 -0.222 16.909) 18.862 7.255 ( 0.805 -1.294 2.204) 2.679 7.316 ( 1.488 -1.207 -1.408) 2.378 7.967 ( -3.397 -1.582 -7.427) 8.319 8.135 ( 2.583 0.231 -5.231) 5.839 ======================= Grid point 242 (85/228) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -14.141 -2.510 5.620) 15.423 1.834 ( -18.609 0.166 -0.401) 18.614 1.934 ( -4.000 -0.713 -7.200) 8.268 2.718 ( 4.785 -0.052 -11.727) 12.665 3.033 ( -25.424 -0.777 6.581) 26.274 3.280 ( 7.648 0.218 10.253) 12.793 3.539 ( -15.988 -0.384 -3.169) 16.303 3.750 ( -6.776 -0.320 6.000) 9.056 3.864 ( -6.306 0.268 4.747) 7.898 4.271 ( 1.873 -0.528 0.175) 1.954 5.037 ( -0.839 1.555 -9.495) 9.658 5.335 ( 4.377 1.136 -2.759) 5.297 5.639 ( 2.592 -0.508 -4.896) 5.563 5.685 ( 2.175 0.254 -11.491) 11.697 5.917 ( -6.244 1.386 8.221) 10.416 6.216 ( -0.443 -0.678 -0.429) 0.916 6.310 ( 0.738 -0.799 -1.365) 1.745 6.447 ( -3.098 0.427 -3.336) 4.573 6.573 ( 4.675 1.540 12.111) 13.073 7.075 ( 2.819 -1.840 14.056) 14.454 7.311 ( 5.092 0.250 3.301) 6.073 7.373 ( 3.586 -2.262 -1.415) 4.470 7.897 ( -5.161 -3.271 -7.103) 9.369 8.183 ( 2.474 0.195 -4.172) 4.854 ======================= Grid point 243 (86/228) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -12.350 0.247 6.536) 13.976 1.447 ( -20.828 0.612 3.868) 21.193 1.863 ( -4.096 -0.519 -9.828) 10.660 2.489 ( -31.092 0.021 10.176) 32.714 2.770 ( -1.655 0.077 -16.867) 16.948 3.213 ( -16.139 -0.708 -0.145) 16.155 3.455 ( 9.696 0.581 11.902) 15.363 3.656 ( -2.636 -0.779 6.157) 6.742 3.739 ( -5.892 0.012 6.235) 8.579 4.278 ( -1.797 -0.470 2.744) 3.314 5.032 ( 1.289 0.618 -12.094) 12.178 5.393 ( 1.173 -0.598 -5.829) 5.975 5.631 ( -3.408 -0.306 -0.199) 3.427 5.701 ( -0.004 0.306 -8.653) 8.659 5.825 ( -2.478 1.642 11.156) 11.545 6.240 ( 1.072 -0.463 -4.665) 4.809 6.315 ( -0.624 -0.651 -3.030) 3.161 6.397 ( -1.071 1.008 -5.531) 5.724 6.638 ( 2.532 0.217 10.949) 11.240 7.076 ( -5.150 -6.650 11.674) 14.388 7.421 ( 5.759 1.441 0.621) 5.969 7.501 ( 9.142 -1.466 1.975) 9.467 7.822 ( -4.420 -3.886 -6.046) 8.438 8.227 ( 2.304 0.218 -2.966) 3.762 ======================= Grid point 244 (87/228) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -10.393 3.801 6.656) 12.914 1.049 ( -19.878 1.214 9.165) 21.923 1.781 ( -7.887 -0.228 -9.031) 11.992 1.866 ( -29.804 0.986 13.277) 32.642 2.580 ( -16.789 0.104 -14.629) 22.269 3.033 ( -3.688 -0.654 -2.758) 4.651 3.542 ( -0.255 -0.540 12.426) 12.440 3.657 ( -2.526 -0.185 6.613) 7.081 3.749 ( 11.605 -0.265 8.688) 14.500 4.210 ( -5.075 -0.340 4.754) 6.962 5.086 ( 4.361 -0.363 -13.378) 14.075 5.359 ( -6.344 -3.547 -10.289) 12.597 5.545 ( -5.278 -0.026 -0.090) 5.278 5.697 ( -0.135 0.192 -2.399) 2.410 5.791 ( -0.383 1.284 12.887) 12.956 6.200 ( -4.974 -0.950 -5.506) 7.481 6.313 ( -0.982 0.119 -8.303) 8.362 6.382 ( -0.838 1.182 -2.845) 3.192 6.679 ( 1.791 -1.720 7.492) 7.893 6.961 ( -12.574 -14.057 12.127) 22.423 7.508 ( 4.164 1.461 -1.259) 4.589 7.712 ( 11.901 0.495 2.186) 12.111 7.782 ( -1.423 -1.544 -4.199) 4.695 8.268 ( 2.144 0.316 -1.733) 2.774 ======================= Grid point 245 (88/228) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -7.454 6.889 6.108) 11.846 0.701 ( -14.509 2.242 17.043) 22.494 1.213 ( -29.555 1.767 25.623) 39.155 1.745 ( -1.895 0.068 -12.418) 12.562 2.263 ( -13.749 0.167 -11.420) 17.874 2.997 ( -1.143 -0.402 -3.826) 4.013 3.540 ( -0.003 -1.301 12.032) 12.102 3.639 ( 0.065 -0.327 4.499) 4.512 4.025 ( 17.175 -2.432 16.152) 23.702 4.114 ( -4.304 -0.115 5.982) 7.370 5.155 ( -9.756 -5.231 -12.933) 17.024 5.218 ( -2.145 -4.301 -12.184) 13.097 5.435 ( -6.120 -0.445 -0.710) 6.177 5.664 ( -4.624 -1.208 1.030) 4.889 5.800 ( 2.092 0.930 12.095) 12.309 6.078 ( -8.674 -1.654 -6.310) 10.853 6.253 ( -4.316 0.189 -3.800) 5.754 6.326 ( -4.058 0.836 0.971) 4.256 6.726 ( 0.799 -3.920 3.532) 5.337 6.810 ( -9.620 -14.320 12.072) 21.056 7.560 ( 2.152 1.577 -1.832) 3.236 7.773 ( 0.143 1.782 -3.235) 3.696 7.918 ( 9.243 1.008 0.620) 9.318 8.303 ( 1.620 0.504 -0.919) 1.930 ======================= Grid point 246 (89/228) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 0.000 8.082 7.080) 10.744 0.531 ( 0.000 3.305 22.262) 22.506 0.865 ( 0.000 2.134 38.217) 38.276 1.726 ( 0.000 0.163 -13.153) 13.154 2.121 ( 0.000 0.223 -10.883) 10.885 2.988 ( -0.000 -0.192 -3.156) 3.162 3.553 ( -0.000 -1.609 11.525) 11.637 3.645 ( -0.000 -0.312 2.968) 2.985 4.066 ( -0.000 -0.003 6.305) 6.305 4.479 ( -0.000 -22.027 24.842) 33.201 4.755 ( 0.000 0.242 -5.543) 5.548 5.290 ( -0.000 -0.908 -14.236) 14.265 5.349 ( -0.000 -0.715 2.665) 2.759 5.591 ( -0.000 -0.122 0.097) 0.155 5.832 ( 0.000 1.347 10.873) 10.956 5.966 ( -0.000 -0.379 1.397) 1.448 6.202 ( 0.000 0.598 -1.649) 1.754 6.270 ( 0.000 1.208 1.973) 2.313 6.753 ( -0.000 -7.776 5.504) 9.527 6.795 ( -0.000 -10.300 8.528) 13.372 7.571 ( 0.000 1.461 -2.065) 2.530 7.758 ( 0.000 4.125 -4.454) 6.071 8.012 ( 0.000 0.758 -0.031) 0.758 8.317 ( 0.000 0.648 -0.812) 1.039 ======================= Grid point 251 (90/228) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 10.921 -0.000 0.989) 10.966 1.968 ( -3.869 0.000 -3.610) 5.291 2.372 ( 6.570 -0.000 -0.128) 6.571 2.528 ( -4.118 0.000 -2.892) 5.032 3.291 ( 9.146 -0.000 4.801) 10.330 3.687 ( -8.979 0.000 -1.439) 9.094 3.770 ( 11.285 -0.000 0.129) 11.286 3.985 ( -0.162 0.000 0.478) 0.505 4.053 ( 7.341 -0.000 3.827) 8.279 4.240 ( -1.136 0.000 -1.269) 1.703 5.048 ( 4.208 -0.000 -4.725) 6.327 5.138 ( -1.401 0.000 -1.604) 2.129 5.485 ( -2.833 0.000 -9.801) 10.202 5.514 ( -4.617 0.000 -11.783) 12.655 6.132 ( 4.370 -0.000 -2.259) 4.919 6.309 ( -2.075 0.000 -5.372) 5.758 6.386 ( 5.160 -0.000 3.985) 6.520 6.446 ( 4.168 -0.000 20.903) 21.314 6.507 ( -0.833 0.000 2.448) 2.586 6.786 ( -8.850 0.000 18.577) 20.578 7.298 ( 0.142 -0.000 2.116) 2.121 7.318 ( -2.575 0.000 -0.970) 2.752 8.047 ( 0.229 -0.000 -7.258) 7.262 8.075 ( -2.410 0.000 -6.079) 6.539 ======================= Grid point 252 (91/228) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -10.005 -0.151 -0.927) 10.049 1.877 ( 5.984 0.082 -1.625) 6.202 2.455 ( 2.337 0.234 -0.541) 2.410 2.461 ( -2.341 -0.240 -0.538) 2.414 3.471 ( -12.128 0.027 1.095) 12.177 3.511 ( 12.256 -0.023 0.837) 12.284 3.921 ( -5.784 0.178 -0.023) 5.787 3.931 ( 4.885 -0.174 -0.813) 4.955 4.165 ( 4.196 -0.093 1.416) 4.430 4.185 ( -4.768 0.087 0.828) 4.841 5.125 ( 1.161 0.886 -3.491) 3.784 5.137 ( 2.952 -0.862 -3.643) 4.768 5.449 ( -1.738 -0.022 -10.512) 10.655 5.472 ( 1.521 0.028 -10.998) 11.103 6.196 ( 2.728 -0.155 -3.055) 4.098 6.261 ( -2.712 0.176 -4.545) 5.295 6.464 ( -2.772 0.225 3.557) 4.515 6.469 ( 2.612 -0.112 3.095) 4.052 6.580 ( 8.963 -0.181 20.473) 22.350 6.620 ( -8.171 0.043 20.111) 21.707 7.273 ( -2.045 -0.009 0.114) 2.049 7.297 ( -0.248 -0.012 0.819) 0.856 8.036 ( -1.731 -0.065 -6.832) 7.048 8.060 ( 1.220 0.090 -6.822) 6.931 ======================= Grid point 253 (92/228) ======================= q-point: (-0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -14.691 -1.174 1.780) 14.845 1.951 ( 1.866 -0.190 -4.399) 4.782 2.374 ( -6.766 0.033 -0.534) 6.787 2.524 ( 4.086 -0.053 -3.040) 5.093 3.260 ( -8.395 -0.247 5.043) 9.796 3.725 ( 8.675 0.320 -1.962) 8.900 3.739 ( -12.560 -0.250 0.967) 12.599 3.981 ( -0.220 -0.036 -0.113) 0.250 4.061 ( -7.908 0.055 3.356) 8.591 4.213 ( 0.862 -0.256 -0.585) 1.072 5.117 ( -0.854 0.700 -5.832) 5.935 5.206 ( 3.567 0.540 -2.421) 4.344 5.461 ( 2.941 -0.159 -8.895) 9.370 5.534 ( 4.532 0.126 -12.126) 12.946 6.195 ( -4.262 0.675 -2.187) 4.837 6.245 ( 1.823 -0.528 -3.034) 3.578 6.366 ( -6.506 -0.102 4.938) 8.168 6.503 ( -2.437 0.452 16.953) 17.133 6.511 ( 0.510 -0.002 3.349) 3.388 6.771 ( 10.211 -0.286 18.761) 21.361 7.242 ( -1.203 -0.554 1.202) 1.789 7.293 ( -0.005 -0.216 -0.382) 0.439 8.004 ( -2.030 -0.296 -7.320) 7.602 8.092 ( 2.197 0.143 -6.146) 6.528 ======================= Grid point 254 (93/228) ======================= q-point: (-0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -15.382 -2.303 4.223) 16.116 1.958 ( -1.228 -0.501 -6.737) 6.867 2.172 ( -14.400 -0.005 -0.980) 14.433 2.615 ( 5.364 -0.063 -6.849) 8.700 3.190 ( 1.012 -0.135 8.732) 8.791 3.443 ( -18.854 -0.596 3.452) 19.177 3.762 ( -6.101 0.138 -4.718) 7.714 3.898 ( -8.681 -0.048 5.021) 10.029 3.953 ( -2.259 0.116 3.225) 3.939 4.224 ( 1.146 -0.418 -1.080) 1.629 5.088 ( -1.462 1.236 -7.854) 8.084 5.274 ( 4.178 1.138 -2.094) 4.810 5.547 ( 5.351 -0.238 -7.766) 9.434 5.623 ( 4.447 0.181 -12.311) 13.091 6.073 ( -7.524 0.801 4.694) 8.904 6.256 ( -4.596 -0.503 3.472) 5.782 6.278 ( 1.322 -0.497 -2.315) 2.711 6.499 ( -1.261 0.336 0.107) 1.309 6.512 ( 2.989 0.722 13.521) 13.867 6.953 ( 8.214 -0.219 16.886) 18.779 7.241 ( 0.859 -1.145 1.737) 2.251 7.305 ( 1.179 -0.669 -1.136) 1.769 7.952 ( -3.971 -0.987 -7.375) 8.434 8.138 ( 2.547 0.158 -5.241) 5.830 ======================= Grid point 255 (94/228) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -12.984 -2.024 5.865) 14.390 1.835 ( -18.328 0.134 -0.570) 18.337 1.927 ( -4.023 -0.596 -7.147) 8.223 2.718 ( 4.854 -0.031 -11.548) 12.527 3.025 ( -25.186 -0.649 6.539) 26.029 3.282 ( 7.885 0.179 10.231) 12.918 3.535 ( -16.205 -0.334 -3.268) 16.534 3.747 ( -6.946 -0.206 6.138) 9.272 3.866 ( -6.449 0.160 4.499) 7.865 4.265 ( 1.931 -0.428 0.408) 2.020 5.053 ( -1.293 1.207 -10.009) 10.164 5.347 ( 3.731 0.869 -3.173) 4.974 5.633 ( 2.426 -0.483 -4.868) 5.461 5.687 ( 2.188 0.218 -11.502) 11.710 5.931 ( -6.084 1.026 9.069) 10.969 6.209 ( -0.308 -0.582 -0.421) 0.782 6.302 ( 0.782 -0.561 -0.930) 1.339 6.452 ( -2.868 0.415 -3.456) 4.510 6.589 ( 4.384 1.237 11.880) 12.723 7.057 ( 1.316 -1.278 14.370) 14.486 7.308 ( 5.930 -0.994 2.515) 6.517 7.353 ( 3.438 -1.006 -1.433) 3.859 7.865 ( -5.643 -2.189 -6.605) 8.959 8.185 ( 2.464 0.158 -4.194) 4.867 ======================= Grid point 256 (95/228) ======================= q-point: (-0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -10.200 0.495 6.402) 12.053 1.454 ( -20.521 0.564 3.851) 20.887 1.857 ( -3.943 -0.487 -9.762) 10.540 2.489 ( -30.603 -0.029 10.039) 32.207 2.770 ( -1.510 0.018 -16.602) 16.670 3.205 ( -16.315 -0.655 -0.283) 16.330 3.461 ( 9.844 0.555 11.856) 15.420 3.648 ( -2.834 -0.602 6.314) 6.947 3.739 ( -6.120 -0.114 6.004) 8.574 4.272 ( -1.759 -0.427 2.964) 3.473 5.038 ( 0.685 0.536 -12.418) 12.449 5.387 ( -0.162 -0.533 -6.487) 6.511 5.625 ( -3.298 -0.649 -0.419) 3.387 5.705 ( 0.092 0.337 -8.377) 8.384 5.842 ( -2.603 1.338 11.846) 12.202 6.237 ( 1.330 -0.078 -4.716) 4.901 6.304 ( -0.774 -1.119 -2.823) 3.133 6.409 ( -0.688 1.057 -4.982) 5.139 6.641 ( 1.407 0.204 10.760) 10.854 7.005 ( -8.621 -5.496 12.743) 16.337 7.435 ( 5.549 1.011 -0.069) 5.641 7.483 ( 10.463 -1.513 0.494) 10.584 7.787 ( -3.266 -2.251 -4.011) 5.641 8.230 ( 2.348 0.208 -3.017) 3.829 ======================= Grid point 257 (96/228) ======================= q-point: (-0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -8.062 4.193 5.950) 10.862 1.063 ( -19.404 1.226 9.126) 21.477 1.779 ( -7.049 -0.179 -9.389) 11.743 1.876 ( -29.964 0.764 13.334) 32.806 2.581 ( -16.837 0.074 -14.308) 22.095 3.025 ( -3.544 -0.683 -2.944) 4.657 3.537 ( -0.893 -0.343 12.181) 12.219 3.654 ( -2.731 -0.409 6.412) 6.982 3.747 ( 11.720 -0.139 8.850) 14.687 4.206 ( -4.970 -0.351 4.905) 6.992 5.081 ( 3.809 -0.393 -13.435) 13.970 5.320 ( -8.224 -3.060 -10.809) 13.922 5.540 ( -5.661 -0.724 0.318) 5.715 5.699 ( -0.681 0.108 -2.522) 2.615 5.806 ( -0.585 1.230 13.342) 13.411 6.189 ( -5.718 -1.013 -4.656) 7.443 6.311 ( -0.844 -0.486 -8.250) 8.308 6.397 ( -0.922 1.332 -1.946) 2.532 6.658 ( 0.537 -1.749 7.732) 7.946 6.822 ( -13.379 -10.035 12.631) 20.958 7.525 ( 4.351 1.447 -1.309) 4.768 7.711 ( 11.800 -0.563 -2.344) 12.044 7.774 ( 1.072 -0.048 1.125) 1.555 8.272 ( 2.248 0.343 -1.818) 2.912 ======================= Grid point 258 (97/228) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -5.669 7.576 4.777) 10.600 0.728 ( -13.504 2.395 16.637) 21.561 1.233 ( -29.208 1.496 24.616) 38.227 1.746 ( -1.737 0.151 -12.278) 12.401 2.265 ( -13.654 0.166 -11.252) 17.694 2.992 ( -1.073 -0.522 -3.961) 4.137 3.526 ( -0.357 -1.158 12.072) 12.132 3.634 ( -0.062 -0.573 4.577) 4.613 4.000 ( 14.131 -1.866 15.100) 20.765 4.112 ( -4.264 -0.156 6.015) 7.374 5.086 ( -18.379 -5.822 -11.018) 22.205 5.186 ( 4.418 -1.952 -12.325) 13.237 5.426 ( -6.433 -0.985 0.096) 6.509 5.653 ( -4.714 -0.806 0.618) 4.822 5.809 ( 1.591 0.659 12.850) 12.965 6.055 ( -8.478 -2.212 -2.616) 9.145 6.255 ( -3.927 0.205 -3.363) 5.175 6.337 ( -3.707 1.131 1.279) 4.082 6.650 ( -4.166 -6.778 8.386) 11.559 6.728 ( 0.166 -3.135 3.058) 4.382 7.579 ( 2.230 1.687 -1.677) 3.261 7.792 ( 1.412 1.574 -0.338) 2.141 7.923 ( 8.618 -0.110 -0.912) 8.667 8.309 ( 1.767 0.553 -1.041) 2.123 ======================= Grid point 259 (98/228) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 9.022 5.337) 10.483 0.573 ( 0.000 3.832 20.455) 20.811 0.889 ( 0.000 1.950 36.597) 36.649 1.729 ( 0.000 0.281 -13.115) 13.118 2.124 ( 0.000 0.278 -10.794) 10.797 2.985 ( -0.000 -0.423 -3.211) 3.239 3.534 ( -0.000 -1.682 12.087) 12.204 3.640 ( -0.000 -0.578 3.204) 3.256 4.066 ( -0.000 -0.004 6.334) 6.334 4.280 ( -0.000 -12.860 25.051) 28.159 4.759 ( 0.000 0.314 -5.563) 5.572 5.274 ( -0.000 -1.759 -14.208) 14.317 5.340 ( -0.000 -0.904 2.657) 2.807 5.589 ( -0.000 -0.159 -0.087) 0.182 5.838 ( -0.000 -0.084 12.595) 12.595 5.961 ( -0.000 -0.424 1.620) 1.674 6.210 ( 0.000 0.702 -1.681) 1.822 6.287 ( 0.000 1.689 1.184) 2.063 6.646 ( -0.000 -6.781 8.029) 10.509 6.753 ( -0.000 -2.265 0.217) 2.275 7.590 ( 0.000 1.741 -1.777) 2.487 7.794 ( 0.000 2.570 -0.427) 2.605 8.014 ( -0.000 -0.432 -1.981) 2.027 8.325 ( 0.000 0.674 -0.957) 1.171 ======================= Grid point 266 (99/228) ======================= q-point: (-0.71 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -14.915 0.000 1.831) 15.027 1.950 ( 1.774 -0.000 -4.438) 4.779 2.375 ( -6.783 0.000 -0.555) 6.806 2.523 ( 4.094 -0.000 -3.048) 5.104 3.259 ( -8.367 0.000 5.056) 9.775 3.727 ( 8.695 -0.000 -1.991) 8.920 3.738 ( -12.649 0.000 0.995) 12.688 3.981 ( -0.232 0.000 -0.132) 0.267 4.061 ( -7.945 0.000 3.335) 8.617 4.211 ( 0.844 -0.000 -0.552) 1.009 5.121 ( -0.794 0.000 -5.911) 5.965 5.209 ( 3.776 -0.000 -2.450) 4.501 5.460 ( 2.941 -0.000 -8.836) 9.312 5.535 ( 4.533 -0.000 -12.155) 12.973 6.199 ( -4.404 0.000 -2.166) 4.908 6.242 ( 2.028 -0.000 -3.094) 3.699 6.365 ( -6.623 0.000 5.019) 8.310 6.505 ( -2.730 0.000 18.958) 19.154 6.510 ( 0.858 -0.000 1.325) 1.579 6.769 ( 10.281 -0.000 18.755) 21.388 7.239 ( -1.335 0.000 1.168) 1.774 7.292 ( -0.076 0.000 -0.350) 0.358 8.002 ( -2.103 0.000 -7.325) 7.621 8.093 ( 2.187 -0.000 -6.148) 6.525 ======================= Grid point 268 (100/228) ======================= q-point: (-0.64 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -15.419 -0.840 4.382) 16.051 1.954 ( -1.251 -0.182 -6.806) 6.922 2.172 ( -14.402 -0.001 -1.034) 14.439 2.615 ( 5.369 -0.023 -6.832) 8.689 3.189 ( 1.123 -0.048 8.738) 8.810 3.438 ( -18.897 -0.210 3.481) 19.216 3.763 ( -6.346 0.047 -4.804) 7.959 3.898 ( -8.707 -0.017 5.057) 10.068 3.954 ( -2.147 0.040 3.146) 3.809 4.221 ( 1.153 -0.151 -0.987) 1.526 5.098 ( -1.466 0.433 -8.094) 8.237 5.283 ( 4.129 0.408 -2.228) 4.710 5.546 ( 5.323 -0.085 -7.648) 9.318 5.625 ( 4.441 0.063 -12.366) 13.139 6.079 ( -7.577 0.288 5.065) 9.119 6.252 ( -4.666 -0.181 3.484) 5.826 6.274 ( 1.382 -0.166 -2.328) 2.712 6.502 ( -1.602 0.099 -0.743) 1.769 6.518 ( 3.553 0.290 14.260) 14.699 6.952 ( 8.173 -0.092 16.855) 18.732 7.231 ( 0.738 -0.461 1.410) 1.657 7.300 ( 1.117 -0.204 -0.912) 1.456 7.944 ( -4.257 -0.331 -7.351) 8.501 8.139 ( 2.528 0.056 -5.246) 5.823 ======================= Grid point 269 (101/228) ======================= q-point: (-0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -12.090 -1.122 6.035) 13.559 1.837 ( -18.110 0.074 -0.705) 18.124 1.921 ( -4.064 -0.340 -7.088) 8.178 2.718 ( 4.922 -0.013 -11.421) 12.437 3.019 ( -25.062 -0.373 6.509) 25.896 3.284 ( 8.053 0.101 10.221) 13.013 3.532 ( -16.361 -0.195 -3.341) 16.700 3.745 ( -7.046 -0.096 6.238) 9.411 3.867 ( -6.562 0.070 4.324) 7.859 4.261 ( 1.974 -0.239 0.563) 2.067 5.064 ( -1.590 0.660 -10.359) 10.501 5.355 ( 3.260 0.461 -3.453) 4.771 5.628 ( 2.261 -0.301 -4.817) 5.330 5.689 ( 2.213 0.126 -11.530) 11.741 5.940 ( -6.018 0.535 9.668) 11.400 6.203 ( -0.201 -0.342 -0.414) 0.574 6.297 ( 0.764 -0.275 -0.710) 1.079 6.456 ( -2.689 0.262 -3.484) 4.409 6.600 ( 4.146 0.684 11.778) 12.505 7.046 ( 0.381 -0.612 14.661) 14.679 7.293 ( 5.811 -1.185 0.723) 5.975 7.348 ( 3.987 -0.078 -0.349) 4.003 7.847 ( -5.822 -1.064 -6.271) 8.622 8.186 ( 2.459 0.088 -4.206) 4.872 ======================= Grid point 270 (102/228) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -8.345 0.526 6.211) 10.416 1.459 ( -20.272 0.395 3.844) 20.637 1.852 ( -3.801 -0.349 -9.702) 10.426 2.489 ( -30.296 -0.058 10.003) 31.905 2.770 ( -1.359 -0.015 -16.441) 16.497 3.198 ( -16.465 -0.463 -0.397) 16.476 3.467 ( 10.031 0.402 11.837) 15.521 3.643 ( -3.016 -0.369 6.460) 7.139 3.737 ( -6.326 -0.141 5.793) 8.579 4.268 ( -1.730 -0.297 3.132) 3.590 5.044 ( 0.215 0.376 -12.668) 12.676 5.381 ( -1.142 -0.388 -6.980) 7.083 5.617 ( -3.371 -0.646 -0.474) 3.465 5.708 ( 0.136 0.248 -8.209) 8.214 5.855 ( -2.667 0.840 12.406) 12.718 6.238 ( 2.116 0.252 -5.193) 5.613 6.290 ( -1.647 -1.181 -2.216) 3.003 6.420 ( -0.331 0.843 -4.531) 4.621 6.642 ( 0.575 0.120 10.637) 10.653 6.953 ( -11.007 -3.514 13.192) 17.537 7.445 ( 5.775 0.658 -0.436) 5.829 7.468 ( 11.212 -1.126 -0.626) 11.286 7.768 ( -2.254 -1.065 -2.555) 3.570 8.232 ( 2.389 0.151 -3.051) 3.878 ======================= Grid point 271 (103/228) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -6.021 3.680 5.235) 8.787 1.076 ( -18.994 0.987 9.097) 21.083 1.777 ( -6.452 -0.111 -9.533) 11.512 1.883 ( -30.031 0.424 13.290) 32.842 2.582 ( -16.875 0.041 -14.018) 21.938 3.017 ( -3.417 -0.569 -3.132) 4.670 3.534 ( -1.390 -0.147 12.074) 12.155 3.649 ( -2.910 -0.467 6.197) 6.862 3.746 ( 11.826 -0.039 8.963) 14.839 4.202 ( -4.882 -0.288 5.028) 7.014 5.077 ( 3.303 -0.316 -13.464) 13.867 5.290 ( -9.700 -2.262 -11.102) 14.915 5.530 ( -5.899 -0.942 0.763) 6.023 5.699 ( -1.160 0.036 -2.669) 2.910 5.818 ( -0.759 0.927 13.826) 13.877 6.177 ( -6.968 -0.953 -3.650) 7.924 6.304 ( -0.320 -0.719 -7.805) 7.845 6.411 ( -1.118 1.173 -1.295) 2.074 6.641 ( -0.904 -1.136 7.979) 8.110 6.731 ( -11.495 -5.990 11.333) 17.218 7.540 ( 4.486 1.197 -1.378) 4.843 7.703 ( 11.758 -0.717 -3.844) 12.391 7.777 ( 2.620 0.364 3.302) 4.231 8.276 ( 2.347 0.295 -1.886) 3.025 ======================= Grid point 272 (104/228) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -4.177 6.973 3.790) 8.968 0.754 ( -12.626 2.046 16.264) 20.690 1.246 ( -29.100 0.877 23.815) 37.613 1.748 ( -1.572 0.186 -12.150) 12.253 2.267 ( -13.546 0.137 -11.079) 17.500 2.986 ( -1.045 -0.524 -4.143) 4.305 3.515 ( -0.674 -0.811 12.102) 12.148 3.626 ( -0.176 -0.686 4.564) 4.619 3.983 ( 12.079 -1.129 14.110) 18.608 4.110 ( -4.190 -0.156 6.040) 7.352 5.029 ( -18.799 -3.989 -9.588) 21.476 5.167 ( 4.936 -1.379 -12.501) 13.511 5.414 ( -6.490 -1.092 0.575) 6.606 5.645 ( -4.621 -0.515 0.189) 4.654 5.815 ( 0.885 0.428 13.707) 13.742 6.031 ( -7.658 -1.937 -0.106) 7.900 6.258 ( -3.376 0.294 -3.225) 4.678 6.350 ( -3.384 1.029 1.177) 3.728 6.596 ( -2.188 -2.969 5.346) 6.495 6.698 ( 1.345 -2.189 1.785) 3.128 7.597 ( 2.274 1.451 -1.558) 3.115 7.811 ( 2.353 1.714 1.471) 3.261 7.917 ( 7.980 -0.833 -1.606) 8.183 8.315 ( 1.875 0.505 -1.133) 2.248 ======================= Grid point 273 (105/228) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 8.784 4.430) 9.838 0.616 ( 0.000 3.575 18.830) 19.166 0.907 ( 0.000 1.073 35.207) 35.224 1.733 ( 0.000 0.332 -13.032) 13.036 2.127 ( 0.000 0.278 -10.695) 10.698 2.979 ( -0.000 -0.546 -3.325) 3.369 3.516 ( -0.000 -1.335 12.336) 12.408 3.632 ( -0.000 -0.770 3.365) 3.452 4.066 ( -0.000 -0.004 6.366) 6.366 4.172 ( -0.000 -6.601 21.498) 22.489 4.762 ( 0.000 0.330 -5.591) 5.601 5.253 ( -0.000 -1.921 -14.183) 14.313 5.329 ( -0.000 -0.919 2.660) 2.814 5.587 ( -0.000 -0.167 -0.295) 0.339 5.834 ( -0.000 -0.565 13.922) 13.934 5.956 ( -0.000 -0.378 1.861) 1.899 6.218 ( 0.000 0.661 -1.713) 1.836 6.306 ( 0.000 1.643 0.367) 1.683 6.595 ( -0.000 -2.745 4.251) 5.060 6.728 ( -0.000 -2.140 -0.333) 2.166 7.610 ( 0.000 1.645 -1.505) 2.230 7.821 ( 0.000 2.367 1.887) 3.027 8.004 ( -0.000 -1.177 -2.704) 2.949 8.332 ( 0.000 0.628 -1.038) 1.213 ======================= Grid point 282 (106/228) ======================= q-point: (-0.64 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.750 0.000 6.096) 13.237 1.837 ( -18.026 0.000 -0.758) 18.042 1.919 ( -4.085 0.000 -7.061) 8.158 2.718 ( 4.950 -0.000 -11.376) 12.406 3.017 ( -25.026 0.000 6.498) 25.856 3.284 ( 8.115 -0.000 10.219) 13.049 3.530 ( -16.418 0.000 -3.369) 16.760 3.744 ( -7.078 0.000 6.274) 9.459 3.868 ( -6.605 0.000 4.261) 7.860 4.260 ( 1.990 -0.000 0.617) 2.084 5.068 ( -1.691 0.000 -10.484) 10.619 5.357 ( 3.087 -0.000 -3.550) 4.705 5.627 ( 2.192 -0.000 -4.792) 5.270 5.690 ( 2.224 -0.000 -11.543) 11.755 5.943 ( -6.003 0.000 9.883) 11.563 6.201 ( -0.163 0.000 -0.412) 0.443 6.296 ( 0.752 -0.000 -0.645) 0.991 6.458 ( -2.620 0.000 -3.485) 4.360 6.604 ( 4.048 -0.000 11.754) 12.432 7.042 ( 0.062 -0.000 14.791) 14.791 7.286 ( 5.722 -0.000 0.062) 5.723 7.348 ( 4.234 -0.000 0.018) 4.234 7.841 ( -5.860 0.000 -6.154) 8.498 8.187 ( 2.458 -0.000 -4.209) 4.874 ======================= Grid point 284 (107/228) ======================= q-point: (-0.57 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -7.267 0.228 6.067) 9.470 1.462 ( -20.134 0.142 3.842) 20.498 1.849 ( -3.713 -0.127 -9.666) 10.356 2.488 ( -30.160 -0.030 10.013) 31.779 2.770 ( -1.263 -0.011 -16.371) 16.420 3.195 ( -16.551 -0.167 -0.461) 16.558 3.470 ( 10.163 0.147 11.832) 15.598 3.640 ( -3.128 -0.123 6.552) 7.262 3.736 ( -6.450 -0.062 5.662) 8.583 4.266 ( -1.714 -0.106 3.221) 3.650 5.047 ( -0.039 0.138 -12.808) 12.809 5.378 ( -1.661 -0.145 -7.237) 7.426 5.612 ( -3.461 -0.269 -0.446) 3.500 5.710 ( 0.145 0.090 -8.140) 8.141 5.861 ( -2.693 0.282 12.719) 13.004 6.242 ( 3.362 0.229 -6.042) 6.918 6.280 ( -3.006 -0.578 -1.294) 3.323 6.427 ( -0.111 0.328 -4.296) 4.310 6.643 ( 0.154 0.032 10.602) 10.603 6.926 ( -12.173 -1.192 13.301) 18.070 7.451 ( 6.400 0.398 -0.320) 6.420 7.458 ( 11.158 -0.575 -1.458) 11.268 7.761 ( -1.708 -0.305 -1.840) 2.529 8.233 ( 2.414 0.055 -3.067) 3.904 ======================= Grid point 285 (108/228) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -4.646 2.171 4.688) 6.948 1.085 ( -18.723 0.548 9.080) 20.816 1.777 ( -6.097 -0.051 -9.556) 11.335 1.886 ( -30.068 0.154 13.237) 32.853 2.582 ( -16.899 0.017 -13.818) 21.829 3.012 ( -3.331 -0.324 -3.275) 4.682 3.534 ( -1.696 -0.033 12.061) 12.180 3.644 ( -3.039 -0.309 6.037) 6.766 3.746 ( 11.907 0.001 9.016) 14.936 4.200 ( -4.823 -0.162 5.106) 7.026 5.074 ( 2.940 -0.168 -13.483) 13.800 5.269 ( -10.597 -1.210 -11.198) 15.464 5.520 ( -5.996 -0.640 1.099) 6.129 5.700 ( -1.470 0.004 -2.783) 3.147 5.827 ( -0.872 0.486 14.211) 14.246 6.168 ( -8.095 -0.597 -2.827) 8.595 6.297 ( 0.332 -0.471 -7.411) 7.433 6.422 ( -1.362 0.695 -0.895) 1.772 6.634 ( -1.459 -0.019 7.829) 7.963 6.679 ( -9.956 -3.211 10.096) 14.538 7.551 ( 4.503 0.688 -1.453) 4.782 7.696 ( 12.096 -0.421 -3.936) 12.727 7.780 ( 3.165 0.246 3.858) 4.996 8.279 ( 2.417 0.171 -1.928) 3.097 ======================= Grid point 286 (109/228) ======================= q-point: (-0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -2.976 5.038 3.076) 6.611 0.773 ( -12.054 1.308 16.009) 20.082 1.253 ( -29.227 0.300 23.355) 37.413 1.750 ( -1.441 0.151 -12.058) 12.144 2.268 ( -13.452 0.090 -10.938) 17.338 2.980 ( -1.040 -0.387 -4.324) 4.464 3.507 ( -0.899 -0.439 12.157) 12.199 3.619 ( -0.262 -0.567 4.491) 4.534 3.973 ( 10.932 -0.548 13.418) 17.316 4.109 ( -4.115 -0.115 6.057) 7.323 4.994 ( -17.864 -2.204 -8.796) 20.033 5.154 ( 4.713 -0.880 -12.565) 13.449 5.402 ( -6.414 -0.831 0.844) 6.523 5.640 ( -4.527 -0.293 -0.126) 4.538 5.819 ( 0.279 0.235 14.413) 14.418 6.013 ( -6.748 -1.211 1.004) 6.929 6.261 ( -2.975 0.259 -3.303) 4.453 6.360 ( -3.160 0.681 1.055) 3.400 6.575 ( -1.017 -0.968 3.036) 3.345 6.677 ( 1.636 -1.558 1.518) 2.722 7.611 ( 2.279 0.955 -1.459) 2.869 7.831 ( 3.078 1.767 3.051) 4.680 7.905 ( 7.442 -1.242 -2.423) 7.924 8.320 ( 1.943 0.355 -1.191) 2.306 ======================= Grid point 287 (110/228) ======================= q-point: (-0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 7.387 3.674) 8.250 0.653 ( 0.000 2.714 17.611) 17.819 0.913 ( -0.000 -0.029 34.548) 34.548 1.736 ( 0.000 0.289 -12.929) 12.932 2.130 ( 0.000 0.222 -10.605) 10.608 2.973 ( -0.000 -0.496 -3.498) 3.533 3.504 ( -0.000 -0.842 12.416) 12.444 3.623 ( -0.000 -0.748 3.412) 3.493 4.066 ( -0.000 -0.003 6.396) 6.396 4.118 ( -0.000 -3.146 18.604) 18.868 4.766 ( 0.000 0.276 -5.621) 5.628 5.232 ( -0.000 -1.578 -14.115) 14.202 5.320 ( -0.000 -0.749 2.672) 2.775 5.585 ( -0.000 -0.139 -0.485) 0.505 5.827 ( -0.000 -0.510 14.581) 14.590 5.952 ( -0.000 -0.274 2.074) 2.092 6.225 ( 0.000 0.505 -1.739) 1.811 6.323 ( 0.000 1.227 -0.204) 1.244 6.575 ( -0.000 -0.948 2.048) 2.257 6.705 ( -0.000 -1.759 -0.535) 1.839 7.627 ( 0.000 1.233 -1.245) 1.752 7.849 ( 0.000 2.349 3.529) 4.240 7.988 ( -0.000 -1.588 -3.291) 3.654 8.339 ( 0.000 0.487 -1.077) 1.182 ======================= Grid point 298 (111/228) ======================= q-point: (-0.57 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -4.162 0.000 4.482) 6.117 1.088 ( -18.630 0.000 9.074) 20.722 1.776 ( -5.980 0.000 -9.550) 11.268 1.887 ( -30.083 0.000 13.216) 32.858 2.582 ( -16.906 0.000 -13.747) 21.790 3.010 ( -3.300 0.000 -3.329) 4.687 3.533 ( -1.798 0.000 12.069) 12.202 3.642 ( -3.088 0.000 5.977) 6.728 3.746 ( 11.939 -0.000 9.029) 14.969 4.199 ( -4.803 0.000 5.133) 7.030 5.073 ( 2.807 -0.000 -13.491) 13.780 5.262 ( -10.892 0.000 -11.209) 15.629 5.516 ( -6.016 0.000 1.223) 6.139 5.700 ( -1.576 0.000 -2.825) 3.235 5.829 ( -0.909 0.000 14.359) 14.387 6.165 ( -8.527 0.000 -2.519) 8.892 6.294 ( 0.621 -0.000 -7.277) 7.303 6.427 ( -1.479 0.000 -0.758) 1.662 6.637 ( 0.244 -0.000 7.203) 7.207 6.658 ( -11.231 0.000 10.143) 15.133 7.555 ( 4.485 -0.000 -1.487) 4.725 7.694 ( 12.284 -0.000 -3.877) 12.881 7.782 ( 3.282 -0.000 3.967) 5.148 8.280 ( 2.443 -0.000 -1.942) 3.121 ======================= Grid point 300 (112/228) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -2.161 1.879 2.603) 3.870 0.783 ( -11.874 0.422 15.949) 19.888 1.255 ( -29.412 0.035 23.192) 37.456 1.752 ( -1.369 0.058 -12.011) 12.089 2.269 ( -13.398 0.032 -10.860) 17.246 2.977 ( -1.042 -0.142 -4.437) 4.560 3.504 ( -1.015 -0.133 12.213) 12.256 3.614 ( -0.308 -0.221 4.420) 4.436 3.969 ( 10.437 -0.157 13.077) 16.732 4.108 ( -4.069 -0.043 6.065) 7.304 4.978 ( -17.174 -0.697 -8.449) 19.153 5.147 ( 4.519 -0.305 -12.581) 13.371 5.396 ( -6.336 -0.309 0.969) 6.417 5.638 ( -4.476 -0.096 -0.290) 4.487 5.821 ( -0.058 0.074 14.803) 14.804 6.003 ( -6.214 -0.402 1.346) 6.370 6.263 ( -2.783 0.101 -3.387) 4.385 6.365 ( -3.046 0.235 0.995) 3.213 6.569 ( -0.632 -0.180 1.954) 2.062 6.664 ( 1.789 -0.588 1.492) 2.402 7.619 ( 2.269 0.330 -1.393) 2.683 7.849 ( 3.329 1.101 5.384) 6.425 7.891 ( 7.291 -0.920 -4.376) 8.553 8.323 ( 1.974 0.128 -1.218) 2.323 ======================= Grid point 301 (113/228) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 4.534 2.485) 5.170 0.677 ( 0.000 1.455 16.872) 16.934 0.908 ( -0.000 -0.614 34.995) 35.000 1.739 ( 0.000 0.166 -12.848) 12.849 2.132 ( 0.000 0.123 -10.544) 10.544 2.968 ( -0.000 -0.291 -3.658) 3.670 3.497 ( -0.000 -0.385 12.466) 12.472 3.616 ( -0.000 -0.464 3.382) 3.414 4.065 ( -0.000 -0.002 6.416) 6.416 4.094 ( -0.000 -1.245 16.993) 17.038 4.768 ( 0.000 0.158 -5.646) 5.648 5.218 ( -0.000 -0.880 -14.036) 14.063 5.313 ( -0.000 -0.421 2.686) 2.719 5.584 ( -0.000 -0.079 -0.618) 0.623 5.823 ( -0.000 -0.274 14.830) 14.832 5.950 ( -0.000 -0.142 2.218) 2.223 6.229 ( 0.000 0.272 -1.756) 1.777 6.334 ( 0.000 0.643 -0.514) 0.823 6.569 ( -0.000 -0.225 0.915) 0.943 6.689 ( -0.000 -1.018 -0.562) 1.162 7.638 ( 0.000 0.646 -1.039) 1.224 7.874 ( 0.000 1.859 5.233) 5.554 7.970 ( -0.000 -1.455 -4.410) 4.644 8.343 ( 0.000 0.265 -1.090) 1.122 ======================= Grid point 315 (114/228) ======================= q-point: ( 0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 0.000 1.592) 1.592 0.685 ( 0.000 0.000 16.625) 16.625 0.904 ( 0.000 0.000 35.661) 35.661 1.740 ( 0.000 0.000 -12.819) 12.819 2.133 ( 0.000 0.000 -10.522) 10.522 2.966 ( 0.000 0.000 -3.722) 3.722 3.494 ( 0.000 0.000 12.492) 12.492 3.613 ( 0.000 0.000 3.357) 3.357 4.065 ( 0.000 0.000 6.423) 6.423 4.087 ( -0.000 -0.000 16.492) 16.492 4.769 ( 0.000 0.000 -5.655) 5.655 5.213 ( 0.000 0.000 -14.002) 14.002 5.310 ( -0.000 -0.000 2.693) 2.693 5.583 ( 0.000 0.000 -0.666) 0.666 5.821 ( 0.000 0.000 14.888) 14.888 5.949 ( 0.000 0.000 2.269) 2.269 6.231 ( 0.000 0.000 -1.761) 1.761 6.338 ( 0.000 0.000 -0.610) 0.610 6.568 ( 0.000 0.000 0.555) 0.555 6.683 ( 0.000 0.000 -0.544) 0.544 7.641 ( 0.000 0.000 -0.959) 0.959 7.886 ( 0.000 0.000 6.602) 6.602 7.960 ( -0.000 -0.000 -5.594) 5.594 8.345 ( 0.000 0.000 -1.093) 1.093 ======================= Grid point 410 (115/228) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 0.000 18.898) 18.898 0.968 ( 0.000 0.000 23.590) 23.590 1.273 ( 0.000 0.000 -13.142) 13.142 1.712 ( 0.000 0.000 29.517) 29.517 1.823 ( 0.000 0.000 -18.021) 18.021 2.800 ( 0.000 0.000 -16.736) 16.736 3.758 ( 0.000 0.000 7.477) 7.477 3.792 ( 0.000 0.000 9.214) 9.214 4.226 ( 0.000 0.000 9.303) 9.303 4.607 ( 0.000 0.000 -8.674) 8.674 4.845 ( 0.000 0.000 -3.482) 3.482 5.031 ( 0.000 0.000 -11.417) 11.417 5.430 ( 0.000 0.000 4.243) 4.243 5.578 ( 0.000 0.000 -1.974) 1.974 6.012 ( 0.000 0.000 2.958) 2.958 6.026 ( 0.000 0.000 11.790) 11.790 6.148 ( 0.000 0.000 -2.977) 2.977 6.291 ( 0.000 0.000 0.238) 0.238 6.809 ( 0.000 0.000 1.700) 1.700 7.113 ( 0.000 0.000 -14.635) 14.635 7.465 ( 0.000 0.000 1.117) 1.117 7.531 ( 0.000 0.000 -1.793) 1.793 8.150 ( 0.000 0.000 6.614) 6.614 8.293 ( 0.000 0.000 -1.276) 1.276 ======================= Grid point 411 (116/228) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 7.960 -0.777 17.010) 18.797 1.058 ( 8.517 -0.337 18.095) 20.001 1.381 ( 8.856 -0.022 -13.456) 16.109 1.836 ( 13.866 -0.243 29.221) 32.345 1.953 ( 12.320 -0.149 -18.383) 22.130 2.820 ( 2.498 0.088 -15.261) 15.464 3.762 ( 0.590 0.208 7.166) 7.194 3.791 ( 0.035 0.082 9.074) 9.075 4.260 ( 2.974 0.022 8.046) 8.578 4.313 ( -19.451 0.334 7.219) 20.751 4.956 ( -5.394 0.822 -11.126) 12.392 5.001 ( 8.574 1.247 -15.138) 17.442 5.484 ( 4.725 -0.033 4.538) 6.552 5.662 ( 4.560 0.316 -3.227) 5.595 6.010 ( 0.901 0.612 3.589) 3.750 6.023 ( -0.095 -1.330 8.643) 8.746 6.162 ( 0.908 -0.084 -4.536) 4.626 6.303 ( 0.421 -0.497 -1.563) 1.693 6.832 ( 2.467 0.808 4.460) 5.160 7.215 ( 10.499 7.953 -14.018) 19.235 7.450 ( -2.303 -3.284 -0.044) 4.011 7.529 ( -0.366 -2.341 -2.783) 3.655 8.081 ( -6.450 0.696 8.386) 10.603 8.270 ( -2.289 0.014 -1.981) 3.027 ======================= Grid point 412 (117/228) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 12.350 -0.858 14.195) 18.835 1.269 ( 12.839 -0.327 8.652) 15.486 1.540 ( 7.748 -0.111 -7.114) 10.520 2.208 ( 14.134 0.324 -14.753) 20.434 2.238 ( 23.934 -0.790 15.366) 28.453 2.920 ( 9.036 0.312 -10.327) 13.726 3.781 ( 1.739 0.805 6.562) 6.836 3.799 ( 0.891 -0.139 7.078) 7.135 3.974 ( -15.361 -0.161 13.301) 20.320 4.310 ( 1.092 -0.161 2.795) 3.006 4.862 ( -2.575 0.510 -7.613) 8.053 5.139 ( 6.374 1.660 -16.187) 17.476 5.578 ( 4.353 -0.186 3.462) 5.564 5.666 ( -3.098 -0.011 -0.850) 3.212 5.995 ( -1.798 -0.771 9.574) 9.772 6.107 ( 6.852 -0.272 -3.585) 7.738 6.172 ( 0.368 -0.050 -4.597) 4.612 6.298 ( -1.303 -0.912 -3.488) 3.834 6.876 ( 2.062 0.995 9.545) 9.816 7.312 ( 3.581 7.203 -4.522) 9.228 7.418 ( -2.939 -2.474 -2.105) 4.380 7.580 ( 4.963 -0.249 -9.744) 10.938 7.924 ( -8.974 0.598 11.022) 14.226 8.211 ( -3.703 0.051 -3.803) 5.308 ======================= Grid point 413 (118/228) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 13.879 0.079 11.827) 18.235 1.526 ( 12.924 -0.011 -3.291) 13.337 1.698 ( 9.507 -0.084 1.898) 9.695 2.376 ( 4.858 -0.232 -20.618) 21.183 2.746 ( 26.520 0.110 13.671) 29.836 3.168 ( 16.124 0.503 -5.811) 17.147 3.707 ( -10.984 -0.093 11.677) 16.031 3.821 ( 3.007 0.851 7.331) 7.970 3.853 ( 2.800 -0.652 6.229) 6.860 4.288 ( -3.217 -0.229 -4.641) 5.652 4.861 ( 1.992 0.232 -1.583) 2.555 5.214 ( 2.018 0.903 -13.309) 13.492 5.584 ( -4.664 -0.170 -1.580) 4.927 5.622 ( -0.864 0.052 -1.264) 1.532 5.974 ( -0.296 -1.688 8.226) 8.403 6.192 ( 2.240 0.232 -0.671) 2.350 6.249 ( 6.679 -0.266 -5.266) 8.509 6.273 ( -1.136 -0.719 -3.689) 3.927 6.879 ( -1.445 0.098 13.252) 13.330 7.311 ( -0.399 2.295 -1.505) 2.773 7.374 ( -2.018 -0.470 0.867) 2.246 7.660 ( 1.939 4.626 -5.805) 7.672 7.764 ( -5.405 -0.436 6.099) 8.161 8.134 ( -4.161 0.036 -6.143) 7.420 ======================= Grid point 414 (119/228) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 13.720 1.514 9.317) 16.653 1.723 ( 7.807 0.633 -10.847) 13.379 1.925 ( 13.763 0.008 6.310) 15.140 2.429 ( 1.386 -0.113 -15.851) 15.912 3.206 ( 21.054 0.619 8.222) 22.611 3.469 ( 14.130 0.487 -4.447) 14.822 3.533 ( -6.681 -0.188 14.213) 15.706 3.894 ( 4.984 0.383 5.924) 7.752 3.926 ( 3.773 -0.320 1.663) 4.135 4.214 ( -3.832 -0.125 -7.256) 8.206 4.906 ( 2.234 -0.473 0.744) 2.402 5.207 ( -2.276 -0.241 -8.944) 9.232 5.496 ( -4.626 -0.192 -4.391) 6.381 5.548 ( -5.922 0.320 -4.873) 7.676 6.012 ( 2.576 -1.999 6.127) 6.941 6.241 ( -1.373 -0.587 -5.105) 5.319 6.257 ( 4.524 0.452 2.293) 5.092 6.384 ( 6.301 0.287 -3.060) 7.011 6.839 ( -2.208 -0.728 16.005) 16.173 7.275 ( -2.235 -0.248 -2.139) 3.103 7.357 ( 0.197 1.779 5.110) 5.415 7.548 ( -7.662 1.902 12.523) 14.803 7.772 ( 2.808 2.265 -11.378) 11.936 8.054 ( -4.231 -0.055 -8.407) 9.412 ======================= Grid point 415 (120/228) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 12.135 2.356 6.319) 13.884 1.831 ( 4.215 1.057 -8.284) 9.355 2.182 ( 12.322 0.194 2.222) 12.523 2.446 ( 0.600 0.090 -9.437) 9.456 3.405 ( -1.467 0.125 10.709) 10.809 3.572 ( 13.145 0.737 7.173) 14.993 3.669 ( 5.413 -0.023 -4.432) 6.996 3.957 ( 0.210 0.186 -4.024) 4.034 4.014 ( 6.408 -0.012 5.595) 8.506 4.178 ( 0.473 0.100 -4.224) 4.252 4.947 ( 1.704 -1.111 0.007) 2.035 5.150 ( -3.565 -1.021 -6.048) 7.095 5.408 ( -4.619 -0.083 -5.656) 7.303 5.429 ( -5.728 0.101 -5.397) 7.870 6.074 ( 2.524 -1.640 2.093) 3.666 6.218 ( -1.181 -0.066 -5.055) 5.191 6.356 ( 5.754 0.616 4.064) 7.071 6.481 ( 3.956 0.363 -1.562) 4.269 6.827 ( 0.903 -0.953 18.442) 18.489 7.243 ( -1.388 -0.974 2.192) 2.771 7.341 ( -1.489 2.414 6.365) 6.968 7.397 ( -6.206 1.239 11.098) 12.776 7.803 ( 1.658 1.753 -12.379) 12.612 7.975 ( -4.129 -0.196 -10.309) 11.107 ======================= Grid point 416 (121/228) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 8.909 1.895 2.760) 9.517 1.870 ( 0.362 0.758 -4.832) 4.904 2.368 ( 6.816 0.139 0.114) 6.818 2.454 ( 0.270 0.162 -3.852) 3.865 3.409 ( 3.010 0.416 7.766) 8.339 3.655 ( -5.886 -0.488 -3.365) 6.798 3.787 ( 9.241 0.339 2.646) 9.619 3.958 ( 0.096 0.334 -3.282) 3.300 4.127 ( 4.718 -0.004 2.866) 5.520 4.196 ( 0.552 0.236 -1.942) 2.032 4.989 ( 2.118 -0.931 -1.993) 3.053 5.094 ( -2.775 -0.924 -5.110) 5.888 5.330 ( -3.112 0.068 -4.678) 5.619 5.343 ( -3.230 -0.123 -5.425) 6.315 6.123 ( 1.849 -1.076 -0.645) 2.235 6.195 ( -1.198 0.338 -4.038) 4.226 6.455 ( 4.517 0.337 3.494) 5.720 6.527 ( 1.046 0.239 0.166) 1.086 6.892 ( 5.243 -1.003 19.881) 20.585 7.185 ( -7.120 0.176 19.758) 21.003 7.275 ( -0.329 0.453 -2.173) 2.244 7.340 ( -1.165 1.437 4.629) 4.986 7.821 ( 1.266 0.935 -12.687) 12.784 7.903 ( -3.421 -0.324 -11.758) 12.250 ======================= Grid point 417 (122/228) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 -0.000 -0.783) 0.783 1.838 ( 0.000 -0.000 -1.459) 1.459 2.438 ( 0.000 -0.000 -0.510) 0.510 2.451 ( -0.000 -0.000 -1.003) 1.003 3.499 ( 0.000 -0.000 1.809) 1.809 3.531 ( -0.000 -0.000 0.737) 0.737 3.918 ( -0.000 -0.000 0.101) 0.101 3.922 ( 0.000 -0.000 -0.527) 0.527 4.183 ( -0.000 0.000 -0.126) 0.126 4.189 ( 0.000 -0.000 -0.212) 0.212 5.025 ( 0.000 -0.000 -3.307) 3.307 5.060 ( 0.000 -0.000 -4.798) 4.798 5.299 ( 0.000 -0.000 -4.336) 4.336 5.312 ( 0.000 -0.000 -4.944) 4.944 6.152 ( 0.000 -0.000 -1.931) 1.931 6.174 ( 0.000 -0.000 -2.975) 2.975 6.513 ( -0.000 -0.000 2.116) 2.116 6.522 ( 0.000 -0.000 1.735) 1.735 7.027 ( 0.000 -0.000 20.918) 20.918 7.029 ( -0.000 0.000 19.403) 19.403 7.287 ( 0.000 -0.000 1.146) 1.146 7.316 ( -0.000 -0.000 1.994) 1.994 7.842 ( 0.000 -0.000 -12.670) 12.670 7.858 ( 0.000 -0.000 -12.462) 12.462 ======================= Grid point 426 (123/228) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 12.607 -0.000 14.391) 19.132 1.267 ( 12.931 -0.000 8.834) 15.661 1.539 ( 7.755 -0.000 -7.338) 10.676 2.211 ( 12.367 -0.000 -20.624) 24.048 2.232 ( 25.799 -0.000 21.297) 33.454 2.922 ( 9.070 -0.000 -10.346) 13.759 3.787 ( 2.026 -0.000 5.732) 6.079 3.797 ( 0.675 -0.000 7.970) 7.999 3.973 ( -15.626 0.000 13.161) 20.430 4.309 ( 1.079 -0.000 2.648) 2.860 4.865 ( -2.668 0.000 -7.409) 7.875 5.149 ( 6.022 -0.000 -16.441) 17.509 5.577 ( 4.407 -0.000 3.649) 5.721 5.666 ( -3.272 0.000 -0.792) 3.367 5.991 ( -1.988 0.000 9.624) 9.827 6.106 ( 7.099 -0.000 -3.802) 8.053 6.172 ( 0.376 -0.000 -4.576) 4.592 6.293 ( -1.251 0.000 -3.561) 3.774 6.882 ( 1.794 -0.000 9.735) 9.899 7.371 ( 0.698 -0.000 -10.180) 10.204 7.388 ( -2.270 0.000 2.685) 3.516 7.578 ( 7.131 -0.000 -10.303) 12.530 7.927 ( -9.190 0.000 11.153) 14.451 8.211 ( -3.703 0.000 -3.718) 5.248 ======================= Grid point 427 (124/228) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 14.427 0.033 11.847) 18.668 1.525 ( 13.140 -0.007 -2.904) 13.457 1.698 ( 9.539 -0.024 1.479) 9.653 2.374 ( 4.883 -0.077 -20.731) 21.299 2.747 ( 26.747 0.030 13.837) 30.114 3.172 ( 16.099 0.176 -5.807) 17.115 3.706 ( -11.192 -0.023 11.848) 16.299 3.831 ( 2.551 0.797 8.577) 8.983 3.845 ( 3.304 -0.732 4.740) 5.824 4.286 ( -3.190 -0.087 -4.888) 5.838 4.862 ( 1.745 0.081 -1.258) 2.153 5.221 ( 1.472 0.340 -13.359) 13.444 5.583 ( -4.778 -0.067 -1.450) 4.993 5.623 ( -0.556 -0.004 -1.129) 1.259 5.961 ( -0.431 -0.614 8.185) 8.219 6.194 ( 2.273 0.091 -0.823) 2.419 6.246 ( 5.501 -0.174 -5.866) 8.043 6.268 ( 0.384 -0.184 -3.283) 3.311 6.880 ( -1.913 0.031 13.355) 13.491 7.329 ( -2.735 0.904 -4.791) 5.590 7.369 ( -0.267 -0.277 3.993) 4.012 7.698 ( 1.700 1.755 -6.068) 6.541 7.761 ( -5.112 -0.157 5.657) 7.626 8.135 ( -4.184 0.018 -6.047) 7.353 ======================= Grid point 428 (125/228) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 14.203 0.828 9.095) 16.886 1.728 ( 8.041 0.341 -10.643) 13.343 1.925 ( 13.857 0.012 6.227) 15.192 2.428 ( 1.493 -0.057 -15.884) 15.954 3.212 ( 21.142 0.336 8.226) 22.688 3.474 ( 14.174 0.282 -4.533) 14.884 3.531 ( -6.724 -0.118 14.391) 15.885 3.898 ( 4.854 0.400 6.652) 8.245 3.922 ( 3.814 -0.368 0.870) 3.929 4.213 ( -3.735 -0.083 -7.465) 8.348 4.902 ( 1.885 -0.275 1.093) 2.196 5.204 ( -2.782 -0.137 -8.708) 9.142 5.494 ( -4.567 -0.105 -4.336) 6.298 5.551 ( -5.985 0.167 -4.832) 7.694 5.994 ( 2.820 -1.110 6.041) 6.759 6.236 ( -1.193 -0.336 -5.869) 5.999 6.261 ( 4.759 0.253 2.487) 5.376 6.386 ( 6.367 0.182 -2.932) 7.012 6.833 ( -2.357 -0.383 16.116) 16.292 7.272 ( -2.724 -0.161 -2.798) 3.909 7.373 ( 0.548 1.039 6.065) 6.178 7.562 ( -8.417 0.756 13.182) 15.658 7.795 ( 2.728 1.554 -12.578) 12.964 8.054 ( -4.285 -0.022 -8.345) 9.381 ======================= Grid point 429 (126/228) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 12.100 1.583 6.005) 13.601 1.841 ( 4.228 0.718 -8.026) 9.100 2.184 ( 12.363 0.142 2.266) 12.570 2.447 ( 0.678 0.065 -9.400) 9.424 3.406 ( -1.388 0.081 10.680) 10.770 3.579 ( 13.069 0.523 7.059) 14.863 3.669 ( 5.064 -0.038 -4.367) 6.687 3.959 ( 0.328 0.142 -3.915) 3.932 4.014 ( 6.500 -0.017 5.612) 8.587 4.179 ( 0.567 0.046 -4.385) 4.422 4.936 ( 1.600 -0.784 0.332) 1.813 5.140 ( -3.705 -0.708 -5.772) 6.895 5.408 ( -4.512 -0.049 -5.766) 7.322 5.430 ( -5.907 0.063 -5.227) 7.888 6.058 ( 2.899 -1.102 2.091) 3.741 6.217 ( -0.920 -0.048 -5.664) 5.739 6.363 ( 5.687 0.432 4.055) 6.998 6.485 ( 3.965 0.326 -1.467) 4.240 6.818 ( 0.892 -0.667 18.544) 18.577 7.234 ( -1.635 -0.691 2.431) 3.010 7.366 ( -1.232 1.858 6.647) 7.011 7.407 ( -6.675 0.505 10.908) 12.798 7.821 ( 1.100 1.342 -12.607) 12.726 7.973 ( -4.197 -0.135 -10.288) 11.112 ======================= Grid point 430 (127/228) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.237 1.459 2.494) 8.729 1.878 ( -0.114 0.582 -4.559) 4.598 2.369 ( 6.716 0.117 0.197) 6.720 2.456 ( 0.238 0.118 -3.801) 3.810 3.414 ( 3.164 0.357 7.589) 8.230 3.650 ( -5.991 -0.403 -3.179) 6.795 3.791 ( 8.979 0.259 2.552) 9.338 3.962 ( -0.003 0.272 -3.196) 3.207 4.127 ( 4.665 -0.001 2.941) 5.514 4.199 ( 0.568 0.178 -2.069) 2.153 4.980 ( 2.556 -0.717 -1.833) 3.226 5.084 ( -2.471 -0.769 -4.874) 5.519 5.331 ( -3.119 0.072 -4.947) 5.849 5.342 ( -3.209 -0.105 -5.177) 6.092 6.112 ( 2.183 -0.848 -0.481) 2.391 6.198 ( -1.069 0.239 -4.521) 4.652 6.459 ( 4.348 0.345 3.498) 5.591 6.531 ( 0.967 0.307 0.232) 1.040 6.881 ( 5.219 -0.859 19.816) 20.509 7.184 ( -5.844 -0.261 18.817) 19.706 7.282 ( -1.922 0.673 -1.333) 2.434 7.354 ( -1.382 1.083 4.952) 5.254 7.832 ( 0.889 0.830 -12.677) 12.735 7.899 ( -3.483 -0.276 -11.766) 12.274 ======================= Grid point 431 (128/228) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -3.941 -0.270 -0.731) 4.018 1.839 ( 2.129 0.169 -1.504) 2.612 2.438 ( 0.104 0.092 -0.536) 0.554 2.450 ( -0.310 -0.117 -0.983) 1.037 3.499 ( -2.943 0.067 1.807) 3.454 3.530 ( 2.975 -0.042 0.746) 3.068 3.918 ( 1.367 0.018 0.029) 1.368 3.921 ( -1.746 -0.010 -0.456) 1.805 4.183 ( 0.798 -0.048 -0.069) 0.802 4.189 ( -0.993 0.040 -0.269) 1.029 5.026 ( 0.701 0.303 -3.386) 3.471 5.058 ( 0.562 -0.299 -4.726) 4.769 5.299 ( -0.087 -0.060 -4.350) 4.351 5.312 ( 0.137 0.077 -4.932) 4.935 6.150 ( 1.182 -0.286 -1.869) 2.229 6.176 ( -0.807 0.228 -3.051) 3.164 6.514 ( -0.084 0.199 2.104) 2.115 6.522 ( -0.157 0.057 1.759) 1.767 7.016 ( 7.943 -1.001 19.795) 21.353 7.038 ( -7.840 0.783 20.545) 22.005 7.283 ( 0.502 -0.481 0.825) 1.079 7.320 ( -1.374 0.469 2.300) 2.721 7.841 ( -1.499 -0.153 -12.658) 12.747 7.859 ( 1.211 0.199 -12.475) 12.536 ======================= Grid point 432 (129/228) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -9.678 -1.982 3.078) 10.347 1.861 ( -0.876 -0.794 -5.137) 5.271 2.366 ( -6.928 -0.131 0.017) 6.929 2.452 ( -0.285 -0.176 -3.907) 3.921 3.405 ( -2.871 -0.388 7.959) 8.470 3.660 ( 5.790 0.475 -3.560) 6.814 3.783 ( -9.540 -0.354 2.736) 9.931 3.954 ( -0.214 -0.328 -3.390) 3.412 4.127 ( -4.776 0.005 2.791) 5.532 4.194 ( -0.545 -0.254 -1.795) 1.893 5.001 ( -1.712 0.973 -2.190) 2.946 5.104 ( 3.186 0.883 -5.355) 6.293 5.329 ( 3.143 -0.054 -4.489) 5.481 5.345 ( 3.209 0.125 -5.592) 6.449 6.136 ( -1.455 1.102 -0.856) 2.016 6.191 ( 1.358 -0.392 -3.504) 3.779 6.452 ( -4.742 -0.219 3.511) 5.904 6.525 ( -1.123 -0.090 0.086) 1.130 6.903 ( -5.251 0.942 20.003) 20.702 7.179 ( 8.011 -0.807 19.264) 20.879 7.273 ( -0.850 0.025 -1.509) 1.732 7.322 ( 0.802 -1.518 4.181) 4.520 7.811 ( -1.653 -0.840 -12.692) 12.827 7.907 ( 3.366 0.316 -11.751) 12.228 ======================= Grid point 433 (130/228) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -12.168 -2.712 6.742) 14.173 1.818 ( -4.202 -1.201 -8.611) 9.656 2.180 ( -12.268 -0.200 2.170) 12.460 2.445 ( -0.496 -0.095 -9.478) 9.492 3.404 ( 1.529 -0.151 10.735) 10.844 3.563 ( -13.208 -0.794 7.338) 15.130 3.669 ( -5.851 -0.017 -4.547) 7.410 3.955 ( 0.001 -0.178 -4.179) 4.183 4.014 ( -6.361 -0.009 5.592) 8.470 4.177 ( -0.368 -0.155 -4.021) 4.040 4.961 ( -1.850 1.202 -0.379) 2.238 5.162 ( 3.379 1.129 -6.401) 7.325 5.410 ( 4.762 0.119 -5.529) 7.298 5.428 ( 5.484 -0.137 -5.599) 7.838 6.095 ( -2.043 1.885 2.088) 3.476 6.219 ( 1.525 0.068 -4.290) 4.554 6.349 ( -5.892 -0.666 4.108) 7.213 6.477 ( -3.965 -0.253 -1.718) 4.329 6.839 ( -0.851 1.066 18.366) 18.417 7.255 ( 1.041 1.007 1.629) 2.180 7.312 ( 1.524 -2.586 5.972) 6.684 7.380 ( 5.818 -1.779 11.515) 13.024 7.783 ( -2.201 -1.698 -12.027) 12.344 7.977 ( 4.056 0.224 -10.325) 11.096 ======================= Grid point 434 (131/228) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -12.985 -1.920 9.643) 16.288 1.714 ( -7.473 -0.823 -11.136) 13.436 1.925 ( -13.615 0.016 6.428) 15.056 2.431 ( -1.224 0.159 -15.801) 15.850 3.198 ( -20.935 -0.799 8.213) 22.503 3.463 ( -14.256 -0.584 -4.496) 14.960 3.535 ( 6.809 0.202 14.140) 15.695 3.890 ( -5.121 -0.187 5.737) 7.692 3.928 ( -3.771 0.100 1.943) 4.243 4.216 ( 3.975 0.115 -6.963) 8.019 4.912 ( -2.735 0.556 0.251) 2.802 5.210 ( 1.560 0.281 -9.280) 9.414 5.498 ( 4.698 0.251 -4.496) 6.507 5.544 ( 5.816 -0.443 -4.912) 7.625 6.038 ( -2.293 2.490 6.298) 7.150 6.247 ( -1.298 0.072 -0.879) 1.569 6.253 ( -1.269 0.044 -1.059) 1.653 6.380 ( -6.216 -0.251 -3.300) 7.042 6.849 ( 1.998 0.993 15.862) 16.019 7.277 ( 1.280 0.135 -0.487) 1.376 7.335 ( 0.611 -1.964 2.988) 3.627 7.518 ( 5.948 -3.325 10.886) 12.843 7.748 ( -2.192 -1.892 -9.031) 9.484 8.055 ( 4.165 0.094 -8.479) 9.447 ======================= Grid point 435 (132/228) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -12.853 -0.064 11.773) 17.430 1.526 ( -12.530 -0.012 -3.998) 13.152 1.700 ( -9.438 0.170 2.666) 9.809 2.379 ( -4.791 0.379 -20.436) 20.993 2.744 ( -26.148 -0.234 13.402) 29.383 3.161 ( -16.179 -0.749 -5.822) 17.211 3.709 ( 10.670 0.202 11.377) 15.599 3.813 ( -3.233 -0.617 7.166) 7.886 3.859 ( -2.528 0.291 6.841) 7.299 4.291 ( 3.260 0.296 -4.207) 5.330 4.857 ( -2.423 -0.341 -2.156) 3.261 5.202 ( -2.913 -1.205 -13.258) 13.628 5.586 ( 4.446 0.203 -1.798) 4.800 5.621 ( 1.301 -0.221 -1.461) 1.969 5.998 ( 0.058 2.347 8.289) 8.615 6.189 ( -2.118 -0.288 -0.417) 2.178 6.250 ( -7.232 -0.017 -4.450) 8.491 6.285 ( 2.230 1.402 -4.111) 4.883 6.878 ( 0.555 -0.166 13.041) 13.054 7.278 ( -2.419 -3.316 1.077) 4.243 7.379 ( 3.416 0.480 -1.343) 3.702 7.598 ( -1.365 -5.903 -5.010) 7.862 7.770 ( 5.586 0.607 6.305) 8.445 8.134 ( 4.127 -0.013 -6.295) 7.528 ======================= Grid point 436 (133/228) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -11.589 1.664 13.638) 17.974 1.275 ( -12.585 0.570 8.130) 14.993 1.542 ( -7.711 0.269 -6.469) 10.069 2.206 ( -15.551 -0.083 -9.731) 18.345 2.248 ( -22.266 0.854 10.184) 24.499 2.915 ( -8.948 -0.599 -10.282) 13.643 3.771 ( -1.602 -0.879 7.148) 7.378 3.799 ( -0.913 -0.234 6.369) 6.438 3.977 ( 14.724 0.277 13.640) 20.073 4.312 ( -1.137 0.250 3.196) 3.401 4.854 ( 2.331 -0.892 -8.162) 8.535 5.113 ( -7.267 -2.698 -15.597) 17.417 5.580 ( -4.247 0.104 3.073) 5.243 5.666 ( 2.634 -0.072 -1.016) 2.824 6.008 ( 1.269 1.361 9.374) 9.557 6.111 ( -6.204 0.465 -2.962) 6.891 6.173 ( -0.326 0.080 -4.607) 4.619 6.313 ( 1.431 1.629 -3.295) 3.944 6.860 ( -2.769 -1.779 9.028) 9.609 7.214 ( -8.457 -9.678 -2.062) 13.017 7.443 ( 3.616 1.896 -2.136) 4.608 7.583 ( -0.577 0.346 -8.555) 8.581 7.916 ( 8.386 -0.629 10.552) 13.493 8.210 ( 3.708 -0.053 -4.023) 5.471 ======================= Grid point 437 (134/228) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -7.646 2.329 16.161) 18.030 1.066 ( -8.316 0.925 17.709) 19.586 1.381 ( -8.919 0.129 -13.130) 15.873 1.841 ( -13.677 0.607 28.706) 31.803 1.957 ( -12.383 0.405 -18.047) 21.890 2.818 ( -2.424 -0.285 -15.217) 15.411 3.758 ( -0.390 -0.549 7.425) 7.455 3.789 ( -0.183 -0.289 8.817) 8.824 4.260 ( -2.320 -0.081 8.178) 8.501 4.305 ( 18.147 -0.890 8.049) 19.872 4.936 ( -0.196 -2.688 -11.650) 11.957 4.977 ( -4.238 -2.541 -13.783) 14.642 5.484 ( -4.981 -0.061 4.267) 6.559 5.655 ( -4.678 -0.809 -2.980) 5.605 6.006 ( -0.477 -0.060 4.401) 4.427 6.042 ( -0.216 1.889 7.786) 8.015 6.164 ( -0.809 0.242 -4.508) 4.587 6.314 ( -0.461 1.350 -1.377) 1.983 6.814 ( -2.632 -2.190 3.880) 5.175 7.083 ( -10.856 -13.455 -5.929) 18.277 7.487 ( 2.288 2.741 -1.778) 3.988 7.577 ( 1.249 5.278 -5.247) 7.546 8.067 ( 6.102 -1.568 8.399) 10.500 8.270 ( 2.322 -0.017 -2.227) 3.217 ======================= Grid point 438 (135/228) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 1.837 18.312) 18.404 0.973 ( 0.000 0.867 23.418) 23.434 1.273 ( -0.000 -0.009 -13.151) 13.151 1.715 ( 0.000 0.601 29.424) 29.430 1.824 ( 0.000 0.240 -17.975) 17.976 2.799 ( -0.000 -0.108 -16.721) 16.722 3.757 ( -0.000 -0.198 7.516) 7.519 3.790 ( -0.000 -0.308 9.206) 9.211 4.226 ( 0.000 0.031 9.315) 9.315 4.607 ( 0.000 0.108 -8.683) 8.683 4.803 ( -0.000 -6.749 -0.978) 6.820 5.030 ( -0.000 -0.284 -11.896) 11.899 5.427 ( -0.000 -0.400 4.246) 4.265 5.576 ( -0.000 -0.241 -2.024) 2.038 6.012 ( 0.000 0.003 3.026) 3.026 6.034 ( 0.000 1.307 11.601) 11.674 6.150 ( 0.000 0.296 -2.999) 3.014 6.296 ( 0.000 0.889 0.369) 0.963 6.799 ( -0.000 -1.674 1.363) 2.158 7.034 ( -0.000 -11.744 -8.809) 14.681 7.493 ( 0.000 3.204 -1.240) 3.436 7.560 ( 0.000 5.085 -3.032) 5.920 8.140 ( -0.000 -1.603 6.766) 6.954 8.293 ( 0.000 0.021 -1.443) 1.443 ======================= Grid point 441 (136/228) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 14.371 -0.000 9.017) 16.966 1.730 ( 8.125 -0.000 -10.569) 13.331 1.926 ( 13.889 -0.000 6.197) 15.209 2.428 ( 1.530 -0.000 -15.895) 15.968 3.214 ( 21.174 -0.000 8.227) 22.716 3.476 ( 14.230 -0.000 -4.601) 14.955 3.530 ( -6.780 0.000 14.493) 16.001 3.901 ( 4.810 -0.000 7.481) 8.894 3.919 ( 3.827 -0.000 0.018) 3.827 4.212 ( -3.701 0.000 -7.542) 8.401 4.900 ( 1.760 -0.000 1.219) 2.141 5.204 ( -2.965 0.000 -8.623) 9.118 5.494 ( -4.543 0.000 -4.321) 6.270 5.552 ( -6.005 0.000 -4.815) 7.697 5.988 ( 2.916 -0.000 6.016) 6.686 6.234 ( -1.097 0.000 -6.098) 6.196 6.263 ( 4.810 -0.000 2.518) 5.430 6.387 ( 6.395 -0.000 -2.893) 7.019 6.831 ( -2.412 0.000 16.158) 16.337 7.271 ( -2.878 0.000 -2.977) 4.141 7.379 ( 0.650 -0.000 6.341) 6.374 7.567 ( -8.596 0.000 13.313) 15.847 7.805 ( 2.589 -0.000 -12.907) 13.164 8.054 ( -4.306 0.000 -8.320) 9.368 ======================= Grid point 442 (137/228) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 12.077 0.556 5.841) 13.426 1.847 ( 4.236 0.254 -7.885) 8.954 2.185 ( 12.384 0.052 2.291) 12.594 2.448 ( 0.719 0.024 -9.378) 9.405 3.407 ( -1.334 0.028 10.661) 10.744 3.583 ( 13.019 0.189 7.005) 14.785 3.669 ( 4.870 -0.018 -4.344) 6.526 3.960 ( 0.373 0.053 -3.861) 3.879 4.014 ( 6.572 -0.008 5.626) 8.651 4.179 ( 0.623 0.011 -4.474) 4.517 4.930 ( 1.548 -0.283 0.517) 1.656 5.134 ( -3.779 -0.253 -5.622) 6.779 5.407 ( -4.453 -0.016 -5.831) 7.337 5.430 ( -6.003 0.022 -5.129) 7.896 6.049 ( 3.105 -0.387 2.088) 3.762 6.217 ( -0.781 -0.018 -5.999) 6.050 6.366 ( 5.664 0.155 4.059) 6.970 6.488 ( 3.979 0.131 -1.431) 4.230 6.812 ( 0.867 -0.241 18.618) 18.640 7.228 ( -1.767 -0.249 2.522) 3.090 7.382 ( -0.506 0.797 6.528) 6.596 7.410 ( -7.488 0.014 11.081) 13.374 7.832 ( 0.747 0.505 -12.712) 12.744 7.972 ( -4.240 -0.049 -10.273) 11.113 ======================= Grid point 443 (138/228) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 7.783 0.787 2.320) 8.160 1.883 ( -0.451 0.314 -4.371) 4.406 2.370 ( 6.648 0.066 0.252) 6.654 2.457 ( 0.205 0.061 -3.763) 3.769 3.417 ( 3.289 0.208 7.465) 8.160 3.646 ( -6.075 -0.230 -3.045) 6.799 3.793 ( 8.799 0.138 2.480) 9.143 3.964 ( -0.066 0.153 -3.144) 3.148 4.127 ( 4.626 0.000 2.998) 5.513 4.200 ( 0.586 0.095 -2.155) 2.235 4.973 ( 2.900 -0.387 -1.733) 3.401 5.077 ( -2.298 -0.438 -4.703) 5.253 5.331 ( -3.151 0.051 -5.230) 6.107 5.341 ( -3.167 -0.065 -4.909) 5.843 6.105 ( 2.399 -0.465 -0.380) 2.473 6.200 ( -0.988 0.122 -4.855) 4.956 6.462 ( 4.251 0.218 3.513) 5.519 6.534 ( 0.906 0.218 0.265) 0.969 6.873 ( 5.196 -0.502 19.798) 20.475 7.181 ( -4.980 -0.261 17.753) 18.440 7.289 ( -3.029 0.456 -0.327) 3.080 7.364 ( -1.482 0.573 5.148) 5.387 7.840 ( 0.621 0.500 -12.665) 12.690 7.897 ( -3.542 -0.167 -11.773) 12.295 ======================= Grid point 444 (139/228) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -5.710 -0.266 -0.628) 5.751 1.841 ( 2.442 0.141 -1.592) 2.919 2.440 ( 0.330 0.166 -0.604) 0.708 2.448 ( -0.699 -0.197 -0.926) 1.177 3.500 ( -5.588 0.087 1.802) 5.872 3.530 ( 5.644 -0.056 0.768) 5.696 3.918 ( 2.848 0.020 -0.160) 2.852 3.921 ( -3.529 -0.011 -0.269) 3.540 4.182 ( 1.201 -0.053 0.035) 1.202 4.190 ( -1.555 0.043 -0.371) 1.599 5.031 ( 1.328 0.543 -3.606) 3.881 5.054 ( 0.949 -0.539 -4.523) 4.653 5.298 ( -0.142 -0.064 -4.372) 4.375 5.313 ( 0.232 0.085 -4.914) 4.920 6.147 ( 1.761 -0.289 -1.753) 2.501 6.178 ( -1.089 0.217 -3.196) 3.383 6.517 ( -0.054 0.292 2.064) 2.086 6.523 ( -0.378 0.030 1.825) 1.864 7.006 ( 7.932 -0.755 19.435) 21.004 7.046 ( -7.722 0.477 20.944) 22.327 7.278 ( 0.414 -0.449 0.332) 0.695 7.325 ( -2.010 0.438 2.769) 3.449 7.840 ( -2.205 -0.147 -12.644) 12.835 7.862 ( 1.687 0.204 -12.493) 12.608 ======================= Grid point 445 (140/228) ======================= q-point: (-0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -10.392 -1.653 3.384) 11.054 1.853 ( -1.327 -0.663 -5.414) 5.614 2.365 ( -7.032 -0.099 -0.074) 7.033 2.450 ( -0.279 -0.152 -3.952) 3.965 3.401 ( -2.770 -0.294 8.130) 8.594 3.665 ( 5.722 0.375 -3.727) 6.839 3.779 ( -9.821 -0.294 2.806) 10.218 3.951 ( -0.327 -0.259 -3.495) 3.520 4.127 ( -4.830 0.003 2.730) 5.549 4.191 ( -0.547 -0.218 -1.660) 1.761 5.011 ( -1.426 0.811 -2.385) 2.895 5.114 ( 3.625 0.677 -5.562) 6.674 5.329 ( 3.201 -0.038 -4.386) 5.430 5.346 ( 3.157 0.107 -5.680) 6.499 6.148 ( -1.101 0.924 -1.080) 1.797 6.186 ( 1.540 -0.382 -3.020) 3.411 6.450 ( -4.978 -0.076 3.542) 6.110 6.525 ( -1.181 0.030 0.022) 1.181 6.913 ( -5.233 0.720 20.154) 20.835 7.168 ( 8.078 -1.036 17.736) 19.516 7.275 ( -1.017 0.242 0.345) 1.101 7.306 ( 0.255 -1.230 3.571) 3.786 7.803 ( -1.966 -0.612 -12.697) 12.862 7.910 ( 3.321 0.252 -11.744) 12.207 ======================= Grid point 446 (141/228) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -12.185 -2.533 7.200) 14.378 1.804 ( -4.191 -1.108 -8.943) 9.938 2.178 ( -12.209 -0.167 2.121) 12.393 2.444 ( -0.384 -0.081 -9.514) 9.522 3.402 ( 1.548 -0.147 10.748) 10.860 3.554 ( -13.229 -0.694 7.525) 15.235 3.669 ( -6.299 -0.053 -4.692) 7.855 3.953 ( 0.283 -0.132 -4.361) 4.372 4.014 ( -6.388 -0.032 5.615) 8.505 4.175 ( -0.274 -0.177 -3.816) 3.830 4.974 ( -2.010 1.054 -0.743) 2.388 5.175 ( 3.177 1.011 -6.762) 7.539 5.411 ( 4.937 0.154 -5.398) 7.317 5.426 ( 5.193 -0.169 -5.804) 7.790 6.116 ( -1.546 1.752 2.070) 3.122 6.220 ( 1.888 0.055 -3.533) 4.007 6.342 ( -6.101 -0.575 4.196) 7.427 6.475 ( -3.981 -0.091 -1.893) 4.409 6.851 ( -0.719 0.997 18.346) 18.387 7.265 ( 0.600 0.632 -0.322) 0.930 7.283 ( 1.521 -2.234 6.685) 7.210 7.359 ( 5.412 -1.795 12.072) 13.351 7.765 ( -2.578 -1.320 -11.610) 11.966 7.980 ( 3.995 0.209 -10.332) 11.079 ======================= Grid point 447 (142/228) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -12.110 -1.948 10.005) 15.829 1.704 ( -7.110 -0.861 -11.445) 13.502 1.926 ( -13.436 0.042 6.556) 14.951 2.433 ( -1.030 0.180 -15.742) 15.777 3.189 ( -20.820 -0.832 8.203) 22.394 3.456 ( -14.546 -0.571 -4.686) 15.293 3.537 ( 7.107 0.177 14.208) 15.888 3.890 ( -5.211 0.058 5.919) 7.886 3.928 ( -3.838 -0.154 1.859) 4.267 4.217 ( 4.141 0.075 -6.652) 7.836 4.919 ( -3.279 0.525 -0.284) 3.333 5.213 ( 0.779 0.252 -9.639) 9.674 5.502 ( 4.754 0.286 -4.649) 6.656 5.538 ( 5.675 -0.519 -4.921) 7.530 6.067 ( -2.087 2.482 6.555) 7.314 6.242 ( -4.286 -0.665 2.440) 4.977 6.259 ( 2.293 0.679 -3.352) 4.118 6.378 ( -6.075 -0.072 -3.636) 7.081 6.861 ( 1.759 1.114 15.748) 15.885 7.276 ( -0.293 -0.368 2.943) 2.981 7.315 ( 2.178 -1.379 -0.948) 2.746 7.474 ( 3.577 -4.178 8.638) 10.240 7.731 ( -0.957 -1.094 -6.192) 6.360 8.056 ( 4.104 0.122 -8.536) 9.473 ======================= Grid point 448 (143/228) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -11.502 0.020 11.653) 16.373 1.525 ( -12.029 -0.055 -4.882) 12.982 1.702 ( -9.329 0.259 3.636) 10.016 2.384 ( -4.668 0.486 -20.250) 20.787 2.741 ( -25.756 -0.377 13.122) 28.908 3.151 ( -16.264 -0.864 -5.846) 17.304 3.711 ( 10.354 0.296 10.997) 15.108 3.808 ( -3.367 -0.239 7.366) 8.102 3.860 ( -2.372 -0.157 7.225) 7.606 4.294 ( 3.305 0.285 -3.681) 4.955 4.853 ( -2.932 -0.376 -2.853) 4.108 5.188 ( -3.902 -1.240 -13.238) 13.856 5.589 ( 4.129 0.180 -2.033) 4.606 5.617 ( 1.710 -0.427 -1.651) 2.415 6.026 ( -0.234 2.453 8.323) 8.681 6.186 ( -1.872 -0.258 -0.092) 1.892 6.248 ( -6.912 -0.295 -3.920) 7.952 6.304 ( 2.450 1.795 -4.079) 5.086 6.875 ( -0.628 -0.221 12.734) 12.751 7.236 ( -5.767 -3.904 2.948) 7.562 7.385 ( 4.410 0.473 -2.605) 5.144 7.531 ( 0.545 -5.493 -4.252) 6.968 7.778 ( 5.689 0.643 6.355) 8.554 8.134 ( 4.097 0.037 -6.451) 7.643 ======================= Grid point 449 (144/228) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -10.395 2.303 12.796) 16.646 1.282 ( -12.229 0.676 7.343) 14.280 1.546 ( -7.611 0.464 -5.493) 9.398 2.207 ( -16.225 0.270 -7.101) 17.713 2.256 ( -21.292 0.561 7.345) 22.530 2.907 ( -8.842 -0.815 -10.237) 13.552 3.762 ( -1.613 -0.676 7.433) 7.636 3.794 ( -0.923 -0.551 6.006) 6.102 3.980 ( 14.047 0.309 14.021) 19.850 4.315 ( -1.214 0.246 3.747) 3.947 4.843 ( 2.014 -1.062 -8.904) 9.191 5.080 ( -8.347 -2.952 -14.952) 17.377 5.580 ( -4.190 -0.186 2.758) 5.019 5.664 ( 2.040 -0.227 -1.254) 2.406 6.025 ( 0.545 1.667 8.930) 9.101 6.117 ( -5.406 0.479 -2.051) 5.802 6.174 ( -0.203 0.073 -4.455) 4.460 6.334 ( 1.570 2.015 -3.039) 3.970 6.837 ( -3.693 -2.185 8.320) 9.361 7.098 ( -12.224 -10.137 0.837) 15.902 7.463 ( 4.200 1.715 -2.006) 4.961 7.587 ( 3.469 0.363 -7.372) 8.155 7.911 ( 7.629 -0.314 9.844) 12.458 8.210 ( 3.723 0.002 -4.301) 5.689 ======================= Grid point 450 (145/228) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -6.993 3.736 14.638) 16.647 1.079 ( -7.954 1.288 17.004) 18.816 1.384 ( -9.027 0.361 -12.491) 15.416 1.849 ( -13.404 0.684 27.908) 30.968 1.962 ( -12.466 0.551 -17.539) 21.524 2.813 ( -2.315 -0.510 -15.151) 15.335 3.750 ( -0.211 -0.708 7.758) 7.793 3.784 ( -0.328 -0.556 8.503) 8.527 4.258 ( -0.557 -0.186 8.532) 8.552 4.294 ( 15.113 -1.125 9.274) 17.768 4.896 ( -8.078 -3.966 -11.688) 14.751 4.949 ( 2.070 -2.364 -12.787) 13.167 5.482 ( -5.365 -0.373 4.003) 6.704 5.644 ( -4.770 -1.020 -2.703) 5.576 6.008 ( -0.530 0.355 4.085) 4.134 6.064 ( -0.130 1.891 8.245) 8.460 6.168 ( -0.639 0.362 -4.445) 4.505 6.333 ( -0.577 1.846 -1.046) 2.199 6.783 ( -2.927 -3.050 3.021) 5.195 6.929 ( -10.983 -12.810 -0.448) 16.879 7.517 ( 2.502 2.519 -1.298) 3.780 7.636 ( 2.742 4.757 -6.580) 8.570 8.048 ( 5.580 -1.611 8.294) 10.126 8.270 ( 2.373 0.038 -2.618) 3.534 ======================= Grid point 451 (146/228) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 3.664 16.683) 17.080 0.987 ( 0.000 1.542 22.946) 22.998 1.273 ( 0.000 0.079 -13.103) 13.103 1.724 ( 0.000 0.910 29.140) 29.154 1.828 ( 0.000 0.432 -17.843) 17.849 2.797 ( -0.000 -0.291 -16.677) 16.679 3.753 ( -0.000 -0.452 7.668) 7.681 3.785 ( -0.000 -0.567 9.143) 9.160 4.227 ( 0.000 0.057 9.347) 9.347 4.609 ( 0.000 0.198 -8.708) 8.711 4.706 ( -0.000 -9.446 4.244) 10.356 5.021 ( -0.000 -1.363 -12.586) 12.660 5.421 ( -0.000 -0.718 4.255) 4.315 5.572 ( -0.000 -0.437 -2.159) 2.203 6.012 ( 0.000 0.021 3.210) 3.211 6.054 ( 0.000 1.920 11.365) 11.527 6.155 ( 0.000 0.513 -3.057) 3.100 6.310 ( 0.000 1.478 0.735) 1.651 6.772 ( -0.000 -2.950 0.565) 3.004 6.885 ( -0.000 -12.860 -2.172) 13.042 7.526 ( 0.000 2.718 -1.227) 2.982 7.630 ( 0.000 6.351 -5.589) 8.460 8.117 ( -0.000 -2.173 6.970) 7.301 8.293 ( 0.000 0.061 -1.856) 1.857 ======================= Grid point 456 (147/228) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.624 -0.000 2.260) 7.952 1.885 ( -0.573 0.000 -4.304) 4.342 2.371 ( 6.624 -0.000 0.271) 6.630 2.457 ( 0.191 -0.000 -3.750) 3.755 3.418 ( 3.337 -0.000 7.421) 8.137 3.645 ( -6.108 0.000 -2.996) 6.803 3.794 ( 8.736 -0.000 2.453) 9.073 3.965 ( -0.088 0.000 -3.127) 3.129 4.127 ( 4.612 -0.000 3.019) 5.512 4.201 ( 0.593 -0.000 -2.185) 2.264 4.971 ( 3.031 -0.000 -1.700) 3.475 5.074 ( -2.243 0.000 -4.641) 5.155 5.332 ( -3.170 0.000 -5.366) 6.232 5.341 ( -3.144 0.000 -4.780) 5.721 6.102 ( 2.473 -0.000 -0.346) 2.497 6.201 ( -0.960 0.000 -4.974) 5.066 6.464 ( 4.221 -0.000 3.521) 5.497 6.535 ( 0.884 -0.000 0.272) 0.925 6.870 ( 5.188 -0.000 19.798) 20.466 7.179 ( -4.700 0.000 17.350) 17.976 7.292 ( -3.400 0.000 0.057) 3.400 7.367 ( -1.508 0.000 5.213) 5.427 7.843 ( 0.527 -0.000 -12.659) 12.670 7.896 ( -3.570 0.000 -11.776) 12.305 ======================= Grid point 457 (148/228) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -6.409 -0.106 -0.556) 6.434 1.842 ( 2.333 0.050 -1.651) 2.859 2.442 ( 1.014 0.150 -0.689) 1.235 2.446 ( -1.473 -0.164 -0.851) 1.709 3.501 ( -7.295 0.040 1.799) 7.514 3.529 ( 7.365 -0.026 0.784) 7.406 3.918 ( 3.962 0.008 -0.340) 3.977 3.921 ( -4.811 -0.004 -0.091) 4.812 4.182 ( 1.335 -0.022 0.102) 1.339 4.190 ( -1.779 0.017 -0.436) 1.832 5.038 ( 2.087 0.655 -3.930) 4.498 5.047 ( 0.754 -0.653 -4.213) 4.329 5.298 ( -0.168 -0.026 -4.384) 4.387 5.314 ( 0.279 0.035 -4.904) 4.912 6.144 ( 1.977 -0.114 -1.675) 2.594 6.180 ( -1.143 0.082 -3.295) 3.489 6.520 ( 0.437 0.228 1.992) 2.052 6.522 ( -0.972 -0.084 1.916) 2.150 7.000 ( 7.901 -0.282 19.255) 20.815 7.049 ( -7.616 0.156 21.148) 22.478 7.274 ( 0.236 -0.170 0.041) 0.294 7.329 ( -2.250 0.167 3.045) 3.790 7.838 ( -2.452 -0.056 -12.637) 12.873 7.863 ( 1.805 0.082 -12.502) 12.632 ======================= Grid point 458 (149/228) ======================= q-point: (-0.64 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -10.898 -0.943 3.607) 11.518 1.847 ( -1.634 -0.379 -5.608) 5.854 2.364 ( -7.105 -0.052 -0.139) 7.107 2.449 ( -0.264 -0.088 -3.982) 3.992 3.398 ( -2.711 -0.157 8.247) 8.682 3.669 ( 5.686 0.206 -3.839) 6.863 3.777 ( -10.023 -0.166 2.850) 10.422 3.949 ( -0.409 -0.143 -3.571) 3.598 4.127 ( -4.870 0.001 2.690) 5.564 4.189 ( -0.551 -0.127 -1.565) 1.664 5.018 ( -1.276 0.463 -2.528) 2.870 5.120 ( 3.972 0.363 -5.697) 6.954 5.328 ( 3.257 -0.020 -4.342) 5.428 5.347 ( 3.104 0.063 -5.714) 6.503 6.157 ( -0.920 0.564 -1.263) 1.661 6.182 ( 1.748 -0.276 -2.673) 3.206 6.450 ( -5.158 0.002 3.571) 6.273 6.526 ( -1.213 0.054 -0.013) 1.214 6.920 ( -5.203 0.389 20.285) 20.946 7.158 ( 7.832 -0.693 16.521) 18.297 7.277 ( -0.448 0.082 2.183) 2.230 7.295 ( -0.553 -0.586 2.729) 2.845 7.797 ( -2.164 -0.317 -12.701) 12.888 7.912 ( 3.291 0.140 -11.739) 12.192 ======================= Grid point 459 (150/228) ======================= q-point: (-0.57 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -12.187 -1.804 7.593) 14.472 1.793 ( -4.184 -0.782 -9.214) 10.149 2.176 ( -12.159 -0.108 2.084) 12.337 2.443 ( -0.290 -0.054 -9.538) 9.542 3.400 ( 1.528 -0.108 10.748) 10.857 3.548 ( -13.208 -0.469 7.690) 15.291 3.668 ( -6.668 -0.058 -4.829) 8.233 3.952 ( 0.563 -0.074 -4.530) 4.566 4.013 ( -6.464 -0.037 5.655) 8.589 4.173 ( -0.205 -0.142 -3.652) 3.661 4.984 ( -2.147 0.713 -1.020) 2.481 5.185 ( 3.001 0.695 -7.057) 7.700 5.413 ( 5.165 0.167 -5.244) 7.362 5.424 ( 4.860 -0.178 -6.018) 7.737 6.133 ( -1.134 1.239 2.042) 2.644 6.220 ( 2.195 0.033 -2.944) 3.672 6.336 ( -6.330 -0.375 4.307) 7.666 6.475 ( -3.990 0.015 -2.032) 4.477 6.861 ( -0.544 0.729 18.378) 18.401 7.258 ( 1.348 -1.568 0.444) 2.115 7.273 ( 0.313 0.174 4.802) 4.816 7.341 ( 5.081 -1.179 12.534) 13.576 7.753 ( -2.771 -0.806 -11.241) 11.606 7.982 ( 3.952 0.149 -10.329) 11.060 ======================= Grid point 460 (151/228) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -11.260 -1.575 10.327) 15.359 1.695 ( -6.790 -0.719 -11.715) 13.559 1.926 ( -13.262 0.052 6.669) 14.844 2.435 ( -0.843 0.159 -15.685) 15.709 3.180 ( -20.739 -0.694 8.195) 22.310 3.451 ( -14.889 -0.455 -4.926) 15.690 3.539 ( 7.462 0.128 14.351) 16.175 3.891 ( -5.245 0.259 6.457) 8.323 3.925 ( -3.951 -0.341 1.405) 4.208 4.217 ( 4.295 0.033 -6.384) 7.694 4.924 ( -3.755 0.406 -0.759) 3.852 5.215 ( 0.083 0.175 -9.946) 9.948 5.505 ( 4.780 0.300 -4.834) 6.805 5.532 ( 5.533 -0.522 -4.879) 7.395 6.093 ( -2.016 1.978 6.858) 7.417 6.234 ( -4.228 -0.596 2.515) 4.955 6.266 ( 2.607 0.494 -2.490) 3.639 6.379 ( -5.815 0.125 -3.969) 7.041 6.874 ( 1.513 1.007 15.713) 15.818 7.269 ( -1.156 -0.701 5.319) 5.488 7.304 ( 3.310 -0.681 -3.431) 4.815 7.427 ( 1.368 -3.760 6.398) 7.546 7.722 ( 0.191 -0.502 -3.957) 3.993 8.058 ( 4.060 0.117 -8.569) 9.483 ======================= Grid point 461 (152/228) ======================= q-point: (-0.43 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -10.067 0.122 11.456) 15.251 1.524 ( -11.520 -0.090 -5.748) 12.875 1.706 ( -9.191 0.297 4.601) 10.282 2.390 ( -4.493 0.503 -20.114) 20.616 2.736 ( -25.453 -0.460 12.914) 28.546 3.142 ( -16.368 -0.808 -5.881) 17.411 3.715 ( 10.047 0.307 10.592) 14.602 3.808 ( -3.328 0.225 7.807) 8.490 3.855 ( -2.360 -0.590 7.416) 7.804 4.297 ( 3.341 0.221 -3.172) 4.612 4.849 ( -3.411 -0.323 -3.540) 4.926 5.174 ( -4.780 -1.063 -13.240) 14.117 5.590 ( 3.706 0.153 -2.190) 4.307 5.611 ( 2.068 -0.559 -1.826) 2.815 6.052 ( -0.519 2.037 8.231) 8.496 6.183 ( -1.542 -0.168 0.333) 1.586 6.244 ( -6.572 -0.424 -3.548) 7.480 6.325 ( 2.496 1.760 -3.826) 4.895 6.873 ( -1.874 -0.234 12.373) 12.516 7.192 ( -9.236 -3.726 4.347) 10.867 7.390 ( 5.221 0.465 -3.289) 6.188 7.476 ( 3.266 -4.115 -3.851) 6.514 7.785 ( 5.765 0.556 6.360) 8.602 8.135 ( 4.079 0.075 -6.575) 7.738 ======================= Grid point 462 (153/228) ======================= q-point: (-0.36 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -8.950 2.572 11.794) 15.027 1.289 ( -11.848 0.634 6.447) 13.503 1.553 ( -7.435 0.610 -4.365) 8.643 2.212 ( -16.760 0.580 -5.132) 17.537 2.260 ( -20.516 0.091 5.185) 21.161 2.897 ( -8.754 -0.893 -10.219) 13.485 3.756 ( -1.689 -0.342 7.552) 7.746 3.787 ( -1.078 -0.714 5.900) 6.040 3.983 ( 13.571 0.261 14.339) 19.745 4.318 ( -1.315 0.183 4.324) 4.523 4.831 ( 1.696 -1.002 -9.664) 9.863 5.048 ( -9.303 -2.604 -14.409) 17.348 5.576 ( -4.223 -0.461 2.635) 4.999 5.661 ( 1.485 -0.345 -1.514) 2.149 6.045 ( -0.128 1.713 8.246) 8.423 6.121 ( -4.769 0.222 -1.141) 4.909 6.175 ( 0.021 0.065 -3.944) 3.945 6.358 ( 1.655 2.011 -2.796) 3.821 6.812 ( -4.611 -2.121 7.581) 9.123 6.989 ( -14.315 -8.645 3.245) 17.035 7.482 ( 4.765 1.518 -1.940) 5.364 7.591 ( 6.486 0.345 -6.417) 9.131 7.909 ( 6.933 -0.024 9.177) 11.502 8.210 ( 3.754 0.073 -4.562) 5.908 ======================= Grid point 463 (154/228) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -6.062 4.624 12.769) 14.872 1.094 ( -7.505 1.361 16.114) 17.828 1.390 ( -9.156 0.639 -11.597) 14.790 1.856 ( -13.186 0.486 27.199) 30.231 1.969 ( -12.512 0.558 -17.130) 21.221 2.806 ( -2.215 -0.700 -15.099) 15.277 3.742 ( -0.186 -0.644 8.014) 8.042 3.776 ( -0.414 -0.808 8.298) 8.347 4.255 ( 3.171 -0.337 9.375) 9.903 4.281 ( 9.745 -0.952 10.091) 14.061 4.851 ( -11.419 -3.632 -11.078) 16.319 4.923 ( 4.400 -2.071 -12.814) 13.706 5.476 ( -5.712 -0.678 3.899) 6.949 5.633 ( -4.763 -0.993 -2.547) 5.492 6.013 ( -0.840 0.566 3.573) 3.714 6.084 ( 0.026 1.458 9.200) 9.315 6.172 ( -0.440 0.417 -4.320) 4.363 6.355 ( -0.807 1.909 -0.620) 2.164 6.745 ( -3.802 -3.779 2.503) 5.916 6.799 ( -9.488 -9.313 1.818) 13.418 7.545 ( 2.824 2.397 -0.756) 3.780 7.685 ( 4.042 3.701 -6.807) 8.739 8.032 ( 5.021 -1.256 8.187) 9.686 8.271 ( 2.435 0.129 -3.032) 3.891 ======================= Grid point 464 (155/228) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 5.125 14.411) 15.295 1.007 ( 0.000 1.890 22.294) 22.374 1.275 ( 0.000 0.261 -12.836) 12.838 1.735 ( 0.000 0.816 28.682) 28.694 1.834 ( 0.000 0.538 -17.655) 17.663 2.792 ( -0.000 -0.528 -16.613) 16.621 3.746 ( -0.000 -0.660 7.936) 7.964 3.778 ( -0.000 -0.779 9.008) 9.041 4.228 ( 0.000 0.071 9.394) 9.394 4.599 ( -0.000 -8.704 9.046) 12.553 4.612 ( 0.000 0.253 -8.748) 8.752 5.001 ( -0.000 -2.046 -13.091) 13.250 5.411 ( -0.000 -0.892 4.272) 4.365 5.566 ( -0.000 -0.547 -2.349) 2.412 6.013 ( 0.000 0.050 3.460) 3.460 6.076 ( 0.000 1.795 11.543) 11.682 6.161 ( 0.000 0.607 -3.133) 3.192 6.328 ( 0.000 1.616 1.279) 2.061 6.728 ( -0.000 -5.767 0.521) 5.790 6.760 ( -0.000 -7.568 -0.316) 7.574 7.557 ( 0.000 2.767 -0.552) 2.821 7.697 ( 0.000 5.240 -6.504) 8.352 8.093 ( -0.000 -1.969 7.091) 7.359 8.294 ( 0.000 0.146 -2.353) 2.358 ======================= Grid point 471 (156/228) ======================= q-point: (-0.71 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -11.082 0.000 3.689) 11.679 1.844 ( -1.742 0.000 -5.678) 5.939 2.364 ( -7.132 0.000 -0.163) 7.134 2.448 ( -0.257 0.000 -3.992) 4.000 3.397 ( -2.692 0.000 8.288) 8.714 3.670 ( 5.675 -0.000 -3.878) 6.874 3.776 ( -10.098 0.000 2.864) 10.496 3.948 ( -0.438 0.000 -3.599) 3.626 4.127 ( -4.885 0.000 2.676) 5.570 4.188 ( -0.552 0.000 -1.531) 1.628 5.021 ( -1.232 0.000 -2.581) 2.861 5.122 ( 4.104 -0.000 -5.743) 7.059 5.328 ( 3.280 -0.000 -4.332) 5.433 5.348 ( 3.083 -0.000 -5.722) 6.500 6.160 ( -0.922 0.000 -1.337) 1.624 6.181 ( 1.892 -0.000 -2.544) 3.171 6.450 ( -5.225 0.000 3.582) 6.335 6.526 ( -1.222 0.000 -0.022) 1.223 6.922 ( -5.188 0.000 20.338) 20.989 7.154 ( 7.708 -0.000 16.099) 17.849 7.277 ( -0.001 0.000 3.008) 3.008 7.292 ( -1.057 0.000 2.243) 2.480 7.796 ( -2.231 0.000 -12.703) 12.897 7.913 ( 3.280 -0.000 -11.737) 12.186 ======================= Grid point 473 (157/228) ======================= q-point: (-0.64 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -12.183 -0.654 7.821) 14.492 1.787 ( -4.181 -0.282 -9.366) 10.260 2.175 ( -12.130 -0.037 2.064) 12.305 2.443 ( -0.235 -0.019 -9.549) 9.552 3.399 ( 1.502 -0.040 10.744) 10.848 3.544 ( -13.180 -0.165 7.789) 15.311 3.668 ( -6.877 -0.025 -4.911) 8.451 3.951 ( 0.741 -0.023 -4.635) 4.694 4.013 ( -6.529 -0.017 5.688) 8.659 4.172 ( -0.169 -0.054 -3.562) 3.566 4.990 ( -2.225 0.251 -1.167) 2.525 5.190 ( 2.898 0.247 -7.222) 7.786 5.415 ( 5.455 0.094 -5.033) 7.423 5.422 ( 4.505 -0.098 -6.261) 7.714 6.143 ( -0.900 0.447 2.020) 2.256 6.220 ( 2.372 0.010 -2.628) 3.540 6.333 ( -6.484 -0.127 4.387) 7.830 6.475 ( -3.990 0.021 -2.103) 4.511 6.867 ( -0.414 0.271 18.421) 18.428 7.245 ( 1.464 -0.611 1.437) 2.141 7.274 ( -0.076 0.000 3.379) 3.380 7.332 ( 4.871 -0.354 12.557) 13.474 7.747 ( -2.841 -0.268 -11.028) 11.392 7.983 ( 3.930 0.054 -10.325) 11.048 ======================= Grid point 474 (158/228) ======================= q-point: (-0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -10.632 -0.878 10.543) 14.999 1.688 ( -6.572 -0.411 -11.896) 13.596 1.927 ( -13.134 0.036 6.746) 14.765 2.436 ( -0.705 0.094 -15.644) 15.660 3.173 ( -20.696 -0.396 8.191) 22.262 3.446 ( -15.157 -0.253 -5.115) 15.999 3.540 ( 7.741 0.067 14.480) 16.419 3.895 ( -5.250 0.288 7.420) 9.094 3.921 ( -4.050 -0.336 0.498) 4.095 4.217 ( 4.404 0.008 -6.206) 7.610 4.928 ( -4.074 0.221 -1.084) 4.222 5.217 ( -0.396 0.085 -10.148) 10.156 5.508 ( 4.767 0.252 -5.032) 6.936 5.527 ( 5.442 -0.390 -4.775) 7.250 6.111 ( -2.052 1.089 7.113) 7.483 6.229 ( -4.097 -0.347 2.515) 4.820 6.270 ( 2.622 0.237 -1.879) 3.234 6.381 ( -5.507 0.157 -4.180) 6.915 6.883 ( 1.304 0.612 15.753) 15.819 7.264 ( -0.608 -0.219 4.315) 4.363 7.296 ( 3.153 -0.645 -1.528) 3.563 7.392 ( -0.123 -2.104 4.008) 4.528 7.718 ( 0.897 -0.182 -2.677) 2.829 8.059 ( 4.034 0.072 -8.582) 9.484 ======================= Grid point 475 (159/228) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -8.852 0.153 11.229) 14.300 1.523 ( -11.107 -0.086 -6.415) 12.827 1.709 ( -9.058 0.242 5.360) 10.528 2.395 ( -4.306 0.389 -20.048) 20.509 2.731 ( -25.286 -0.395 12.811) 28.349 3.134 ( -16.466 -0.577 -5.918) 17.507 3.718 ( 9.735 0.219 10.238) 14.129 3.813 ( -3.001 0.667 8.478) 9.018 3.846 ( -2.553 -0.908 7.295) 7.782 4.299 ( 3.366 0.135 -2.773) 4.363 4.846 ( -3.773 -0.210 -4.090) 5.568 5.164 ( -5.421 -0.719 -13.245) 14.330 5.592 ( 3.138 0.173 -2.166) 3.817 5.605 ( 2.495 -0.548 -2.051) 3.276 6.071 ( -0.724 1.281 7.957) 8.092 6.182 ( -1.237 -0.059 0.869) 1.513 6.239 ( -6.410 -0.364 -3.257) 7.199 6.342 ( 2.522 1.293 -3.586) 4.571 6.870 ( -2.891 -0.185 12.044) 12.388 7.154 ( -11.941 -2.651 5.272) 13.319 7.395 ( 6.048 0.503 -3.583) 7.048 7.437 ( 5.491 -2.602 -3.771) 7.152 7.790 ( 5.822 0.373 6.360) 8.630 8.136 ( 4.073 0.074 -6.654) 7.802 ======================= Grid point 476 (160/228) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -7.553 2.268 10.819) 13.388 1.296 ( -11.518 0.476 5.639) 12.833 1.560 ( -7.221 0.594 -3.324) 7.971 2.220 ( -17.434 0.811 -2.996) 17.708 2.258 ( -19.708 -0.396 2.923) 19.927 2.887 ( -8.699 -0.774 -10.232) 13.452 3.754 ( -1.727 0.011 7.577) 7.772 3.778 ( -1.392 -0.741 5.948) 6.153 3.986 ( 13.342 0.173 14.558) 19.747 4.319 ( -1.416 0.106 4.814) 5.019 4.820 ( 1.426 -0.756 -10.300) 10.425 5.022 ( -9.973 -1.891 -14.012) 17.302 5.570 ( -4.312 -0.539 2.674) 5.103 5.657 ( 1.067 -0.340 -1.743) 2.072 6.064 ( -0.477 1.583 7.553) 7.732 6.121 ( -4.507 -0.264 -0.631) 4.558 6.176 ( 0.256 0.099 -3.031) 3.043 6.379 ( 1.668 1.621 -2.622) 3.505 6.790 ( -5.341 -1.588 6.919) 8.884 6.904 ( -15.173 -6.089 4.753) 17.026 7.497 ( 5.196 1.158 -1.931) 5.662 7.595 ( 8.548 0.279 -5.722) 10.290 7.909 ( 6.418 0.105 8.705) 10.816 8.211 ( 3.792 0.105 -4.759) 6.086 ======================= Grid point 477 (161/228) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -5.035 4.578 10.939) 12.883 1.109 ( -7.057 1.158 15.236) 16.831 1.398 ( -9.284 0.786 -10.598) 14.111 1.860 ( -13.102 0.178 26.848) 29.875 1.975 ( -12.496 0.452 -17.009) 21.111 2.798 ( -2.151 -0.749 -15.087) 15.258 3.736 ( -0.297 -0.376 8.106) 8.120 3.766 ( -0.467 -0.949 8.283) 8.350 4.251 ( 8.132 -0.409 10.834) 13.553 4.272 ( 3.228 -0.579 9.944) 10.471 4.815 ( -12.163 -2.592 -10.582) 16.329 4.902 ( 4.848 -1.631 -13.099) 14.062 5.467 ( -5.923 -0.778 3.928) 7.150 5.622 ( -4.692 -0.811 -2.515) 5.385 6.020 ( -1.289 0.600 2.973) 3.296 6.097 ( 0.196 0.835 10.411) 10.446 6.177 ( -0.261 0.395 -4.116) 4.143 6.375 ( -1.151 1.594 -0.148) 1.972 6.688 ( -7.623 -5.703 3.297) 10.075 6.728 ( -4.431 -3.528 0.806) 5.721 7.570 ( 3.131 1.977 -0.326) 3.717 7.721 ( 5.063 2.691 -6.776) 8.877 8.020 ( 4.495 -0.849 8.234) 9.419 8.273 ( 2.498 0.189 -3.380) 4.207 ======================= Grid point 478 (162/228) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 5.672 12.043) 13.312 1.029 ( 0.000 1.855 21.608) 21.687 1.279 ( 0.000 0.424 -12.255) 12.262 1.742 ( 0.000 0.445 28.118) 28.121 1.840 ( 0.000 0.537 -17.446) 17.454 2.785 ( -0.000 -0.700 -16.559) 16.573 3.739 ( -0.000 -0.644 8.177) 8.203 3.768 ( -0.000 -0.942 8.911) 8.961 4.229 ( 0.000 0.072 9.447) 9.447 4.512 ( -0.000 -6.334 12.111) 13.668 4.615 ( 0.000 0.260 -8.795) 8.799 4.977 ( -0.000 -2.075 -13.418) 13.577 5.401 ( -0.000 -0.890 4.299) 4.390 5.560 ( -0.000 -0.549 -2.552) 2.610 6.013 ( 0.000 0.071 3.715) 3.716 6.093 ( 0.000 1.266 12.160) 12.226 6.168 ( 0.000 0.577 -3.209) 3.261 6.345 ( 0.000 1.352 1.914) 2.343 6.648 ( -0.000 -6.358 0.942) 6.427 6.709 ( -0.000 -3.133 -1.669) 3.549 7.588 ( 0.000 2.489 0.063) 2.490 7.750 ( 0.000 4.004 -6.726) 7.828 8.073 ( -0.000 -1.528 7.328) 7.486 8.297 ( 0.000 0.228 -2.806) 2.816 ======================= Grid point 487 (163/228) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -10.400 0.000 10.618) 14.863 1.686 ( -6.494 0.000 -11.959) 13.609 1.927 ( -13.087 0.000 6.773) 14.736 2.437 ( -0.654 0.000 -15.629) 15.643 3.171 ( -20.684 0.000 8.190) 22.247 3.445 ( -15.257 0.000 -5.187) 16.115 3.540 ( 7.845 -0.000 14.530) 16.513 3.897 ( -5.258 0.000 8.181) 9.726 3.919 ( -4.079 0.000 -0.244) 4.086 4.218 ( 4.443 -0.000 -6.144) 7.582 4.929 ( -4.186 0.000 -1.200) 4.354 5.217 ( -0.567 0.000 -10.218) 10.233 5.510 ( 4.739 -0.000 -5.157) 7.004 5.524 ( 5.428 -0.000 -4.682) 7.169 6.118 ( -2.087 0.000 7.214) 7.509 6.227 ( -4.037 0.000 2.513) 4.755 6.271 ( 2.591 -0.000 -1.675) 3.085 6.382 ( -5.366 0.000 -4.244) 6.842 6.887 ( 1.217 -0.000 15.786) 15.833 7.263 ( -0.099 0.000 3.060) 3.061 7.291 ( 2.777 -0.000 0.583) 2.837 7.380 ( -0.590 0.000 2.638) 2.704 7.717 ( 1.127 -0.000 -2.270) 2.535 8.059 ( 4.026 -0.000 -8.585) 9.483 ======================= Grid point 489 (164/228) ======================= q-point: (-0.57 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.154 0.069 11.073) 13.751 1.523 ( -10.876 -0.036 -6.772) 12.812 1.711 ( -8.975 0.093 5.772) 10.671 2.399 ( -4.180 0.148 -20.033) 20.465 2.727 ( -25.228 -0.158 12.783) 28.282 3.129 ( -16.527 -0.209 -5.942) 17.564 3.720 ( 9.511 0.077 10.031) 13.823 3.822 ( -2.157 0.883 10.127) 10.392 3.835 ( -3.263 -0.964 5.967) 6.869 4.300 ( 3.377 0.045 -2.556) 4.235 4.844 ( -3.966 -0.071 -4.396) 5.921 5.158 ( -5.757 -0.255 -13.246) 14.445 5.595 ( 2.133 0.221 -1.748) 2.767 5.599 ( 3.393 -0.373 -2.554) 4.263 6.081 ( -0.815 0.424 7.667) 7.722 6.181 ( -1.067 -0.004 1.309) 1.689 6.236 ( -6.368 -0.142 -3.093) 7.081 6.353 ( 2.536 0.477 -3.455) 4.312 6.869 ( -3.451 -0.071 11.848) 12.340 7.133 ( -13.355 -0.953 5.718) 14.559 7.402 ( 7.226 0.699 -3.456) 8.041 7.415 ( 6.013 -1.374 -4.018) 7.361 7.793 ( 5.853 0.131 6.361) 8.645 8.136 ( 4.072 0.031 -6.691) 7.833 ======================= Grid point 490 (165/228) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -6.538 1.340 10.101) 12.107 1.300 ( -11.297 0.251 5.091) 12.394 1.566 ( -7.043 0.370 -2.597) 7.516 2.230 ( -18.482 0.940 0.092) 18.506 2.251 ( -18.615 -0.761 -0.224) 18.632 2.880 ( -8.676 -0.453 -10.259) 13.443 3.756 ( -1.579 0.276 7.650) 7.816 3.770 ( -1.847 -0.638 5.953) 6.265 3.987 ( 13.274 0.082 14.679) 19.791 4.320 ( -1.489 0.044 5.139) 5.350 4.814 ( 1.244 -0.400 -10.717) 10.796 5.005 ( -10.339 -0.987 -13.769) 17.247 5.564 ( -4.394 -0.360 2.768) 5.206 5.653 ( 0.816 -0.207 -1.901) 2.079 6.081 ( -0.140 1.258 7.509) 7.615 6.116 ( -4.878 -0.644 -0.948) 5.011 6.177 ( 0.387 0.093 -2.120) 2.157 6.394 ( 1.640 0.908 -2.534) 3.152 6.777 ( -5.680 -0.757 6.385) 8.579 6.851 ( -15.518 -3.172 5.560) 16.786 7.508 ( 5.436 0.629 -1.947) 5.808 7.598 ( 9.769 0.158 -5.295) 11.113 7.911 ( 6.113 0.092 8.442) 10.423 8.212 ( 3.824 0.076 -4.879) 6.199 ======================= Grid point 491 (166/228) ======================= q-point: (-0.43 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -4.149 3.399 9.486) 10.897 1.120 ( -6.702 0.758 14.563) 16.049 1.407 ( -9.392 0.658 -9.725) 13.535 1.860 ( -13.135 -0.035 26.823) 29.866 1.979 ( -12.439 0.285 -17.113) 21.158 2.790 ( -2.121 -0.583 -15.111) 15.270 3.734 ( -0.465 -0.001 7.957) 7.970 3.755 ( -0.493 -0.914 8.509) 8.572 4.247 ( 11.399 -0.289 12.181) 16.686 4.268 ( -1.160 -0.297 9.417) 9.493 4.792 ( -12.027 -1.484 -10.310) 15.910 4.886 ( 4.798 -1.034 -13.337) 14.211 5.459 ( -6.004 -0.609 4.009) 7.245 5.614 ( -4.615 -0.528 -2.545) 5.297 6.026 ( -1.748 0.466 2.355) 2.970 6.104 ( 0.389 0.317 11.570) 11.581 6.181 ( -0.143 0.287 -3.877) 3.891 6.391 ( -1.533 1.028 0.296) 1.869 6.634 ( -7.428 -3.493 2.798) 8.672 6.699 ( -3.404 -1.831 0.334) 3.880 7.589 ( 3.358 1.292 -0.034) 3.598 7.746 ( 5.793 1.668 -6.788) 9.079 8.012 ( 4.067 -0.488 8.420) 9.363 8.275 ( 2.549 0.168 -3.616) 4.427 ======================= Grid point 492 (167/228) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.000 4.931 10.026) 11.173 1.049 ( 0.000 1.464 21.020) 21.071 1.285 ( 0.000 0.439 -11.446) 11.454 1.745 ( 0.000 0.069 27.563) 27.563 1.846 ( 0.000 0.430 -17.259) 17.264 2.777 ( -0.000 -0.679 -16.538) 16.552 3.733 ( -0.000 -0.370 8.211) 8.219 3.756 ( -0.000 -0.973 8.997) 9.050 4.229 ( 0.000 0.058 9.494) 9.495 4.454 ( -0.000 -3.819 13.641) 14.165 4.618 ( 0.000 0.213 -8.841) 8.844 4.955 ( -0.000 -1.614 -13.593) 13.689 5.392 ( -0.000 -0.713 4.329) 4.388 5.554 ( -0.000 -0.441 -2.728) 2.763 6.014 ( 0.000 0.070 3.928) 3.929 6.104 ( 0.000 0.688 12.910) 12.928 6.174 ( 0.000 0.443 -3.271) 3.301 6.358 ( 0.000 0.881 2.488) 2.640 6.591 ( -0.000 -3.597 -0.229) 3.605 6.679 ( -0.000 -2.175 -2.295) 3.162 7.613 ( 0.000 1.856 0.524) 1.928 7.789 ( 0.000 2.792 -6.945) 7.485 8.058 ( -0.000 -1.063 7.796) 7.868 8.299 ( 0.000 0.238 -3.142) 3.151 ======================= Grid point 503 (168/228) ======================= q-point: (-0.57 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -6.166 0.000 9.836) 11.609 1.302 ( -11.220 0.000 4.899) 12.243 1.568 ( -6.974 0.000 -2.338) 7.355 2.240 ( -24.626 0.000 19.293) 31.284 2.242 ( -12.466 0.000 -19.440) 23.094 2.877 ( -8.670 0.000 -10.272) 13.442 3.759 ( -1.105 0.000 8.123) 8.198 3.765 ( -2.441 0.000 5.512) 6.028 3.988 ( 13.267 -0.000 14.718) 19.815 4.320 ( -1.516 0.000 5.252) 5.466 4.811 ( 1.180 -0.000 -10.862) 10.925 5.000 ( -10.452 0.000 -13.686) 17.221 5.562 ( -4.426 0.000 2.814) 5.245 5.652 ( 0.733 -0.000 -1.956) 2.089 6.090 ( 1.023 -0.000 8.804) 8.863 6.110 ( -6.041 0.000 -2.405) 6.502 6.178 ( 0.420 -0.000 -1.752) 1.802 6.399 ( 1.622 -0.000 -2.511) 2.989 6.772 ( -5.663 0.000 6.133) 8.348 6.832 ( -15.716 0.000 5.854) 16.771 7.511 ( 5.509 -0.000 -1.956) 5.846 7.598 ( 10.178 -0.000 -5.150) 11.407 7.911 ( 6.012 -0.000 8.359) 10.297 8.213 ( 3.836 -0.000 -4.918) 6.238 ======================= Grid point 505 (169/228) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.632 1.261 8.675) 9.489 1.126 ( -6.508 0.261 14.211) 15.633 1.412 ( -9.455 0.257 -9.215) 13.205 1.860 ( -13.193 -0.047 26.900) 29.961 1.981 ( -12.392 0.097 -17.237) 21.229 2.785 ( -2.111 -0.221 -15.138) 15.286 3.736 ( -0.645 0.248 7.315) 7.347 3.746 ( -0.441 -0.573 9.198) 9.226 4.244 ( 12.686 -0.095 12.880) 18.079 4.265 ( -3.008 -0.095 9.093) 9.578 4.781 ( -11.800 -0.477 -10.196) 15.602 4.878 ( 4.699 -0.353 -13.459) 14.260 5.454 ( -6.017 -0.230 4.070) 7.267 5.610 ( -4.570 -0.183 -2.577) 5.249 6.030 ( -2.055 0.179 1.915) 2.815 6.106 ( 0.545 0.060 12.314) 12.327 6.183 ( -0.090 0.105 -3.718) 3.721 6.398 ( -1.800 0.350 0.581) 1.923 6.608 ( -6.844 -1.104 2.234) 7.283 6.685 ( -3.246 -0.616 0.151) 3.307 7.599 ( 3.476 0.448 0.115) 3.507 7.759 ( 6.186 0.570 -6.839) 9.239 8.008 ( 3.819 -0.160 8.590) 9.402 8.276 ( 2.578 0.067 -3.733) 4.537 ======================= Grid point 506 (170/228) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 2.890 8.660) 9.130 1.062 ( 0.000 0.804 20.628) 20.644 1.289 ( 0.000 0.272 -10.697) 10.701 1.744 ( -0.000 -0.082 27.151) 27.151 1.850 ( 0.000 0.238 -17.130) 17.131 2.770 ( -0.000 -0.420 -16.545) 16.550 3.730 ( -0.000 -0.003 7.883) 7.883 3.746 ( -0.000 -0.759 9.397) 9.428 4.230 ( 0.000 0.032 9.528) 9.528 4.423 ( -0.000 -1.735 14.264) 14.369 4.620 ( 0.000 0.121 -8.875) 8.876 4.941 ( -0.000 -0.869 -13.664) 13.692 5.385 ( -0.000 -0.396 4.354) 4.372 5.550 ( -0.000 -0.245 -2.846) 2.857 6.015 ( 0.000 0.043 4.068) 4.068 6.110 ( 0.000 0.268 13.463) 13.466 6.178 ( 0.000 0.239 -3.311) 3.320 6.366 ( 0.000 0.406 2.846) 2.875 6.562 ( -0.000 -1.527 -1.292) 2.000 6.660 ( -0.000 -1.126 -2.625) 2.856 7.629 ( 0.000 0.984 0.807) 1.273 7.813 ( 0.000 1.468 -7.266) 7.413 8.049 ( -0.000 -0.564 8.341) 8.360 8.302 ( 0.000 0.152 -3.338) 3.341 ======================= Grid point 520 (171/228) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 0.000 8.171) 8.171 1.066 ( 0.000 0.000 20.491) 20.491 1.290 ( 0.000 0.000 -10.386) 10.386 1.744 ( 0.000 0.000 26.998) 26.998 1.851 ( 0.000 0.000 -17.084) 17.084 2.768 ( 0.000 0.000 -16.552) 16.552 3.731 ( 0.000 0.000 7.287) 7.287 3.741 ( 0.000 0.000 10.016) 10.016 4.230 ( 0.000 0.000 9.540) 9.540 4.413 ( 0.000 0.000 14.423) 14.423 4.620 ( 0.000 0.000 -8.888) 8.888 4.936 ( 0.000 0.000 -13.681) 13.681 5.383 ( -0.000 -0.000 4.363) 4.363 5.549 ( 0.000 0.000 -2.888) 2.888 6.015 ( 0.000 0.000 4.116) 4.116 6.111 ( 0.000 0.000 13.658) 13.658 6.179 ( 0.000 0.000 -3.324) 3.324 6.368 ( 0.000 0.000 2.956) 2.956 6.554 ( 0.000 0.000 -1.683) 1.683 6.653 ( 0.000 0.000 -2.723) 2.723 7.635 ( 0.000 0.000 0.903) 0.903 7.822 ( 0.000 0.000 -7.436) 7.436 8.045 ( 0.000 0.000 8.596) 8.596 8.303 ( 0.000 0.000 -3.401) 3.401 ======================= Grid point 615 (172/228) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.000 -21.222) 21.222 0.885 ( 0.000 0.000 21.222) 21.222 1.422 ( 0.000 0.000 -21.756) 21.756 1.422 ( 0.000 0.000 21.756) 21.756 2.338 ( 0.000 0.000 -28.713) 28.713 2.338 ( 0.000 0.000 28.713) 28.713 3.872 ( 0.000 0.000 -1.901) 1.901 3.872 ( 0.000 0.000 1.901) 1.901 4.420 ( 0.000 0.000 -9.818) 9.818 4.420 ( 0.000 0.000 9.818) 9.818 4.854 ( 0.000 0.000 -5.203) 5.203 4.854 ( 0.000 0.000 5.203) 5.203 5.515 ( 0.000 0.000 -4.021) 4.021 5.515 ( 0.000 0.000 4.021) 4.021 6.081 ( 0.000 0.000 -3.648) 3.648 6.081 ( 0.000 0.000 3.648) 3.648 6.227 ( 0.000 0.000 -7.188) 7.188 6.227 ( 0.000 0.000 7.188) 7.188 6.887 ( 0.000 0.000 -7.243) 7.243 6.887 ( 0.000 0.000 7.243) 7.243 7.494 ( 0.000 0.000 -1.760) 1.760 7.494 ( 0.000 0.000 1.760) 1.760 8.248 ( 0.000 0.000 -3.396) 3.396 8.248 ( 0.000 0.000 3.396) 3.396 ======================= Grid point 617 (173/228) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 5.197 -0.231 -19.245) 19.936 0.933 ( 5.197 -0.231 19.245) 19.936 1.555 ( 11.834 -0.225 -20.734) 23.874 1.555 ( 11.834 -0.225 20.734) 23.874 2.404 ( 7.325 -0.037 -25.741) 26.763 2.404 ( 7.325 -0.037 25.741) 26.763 3.868 ( -0.360 0.171 -1.765) 1.809 3.868 ( -0.360 0.171 1.765) 1.809 4.378 ( -5.305 -0.143 -1.673) 5.565 4.378 ( -5.305 -0.143 1.673) 5.565 4.826 ( -0.149 0.922 -0.695) 1.164 4.826 ( -0.149 0.922 0.695) 1.164 5.580 ( 4.935 0.149 -4.733) 6.840 5.580 ( 4.935 0.149 4.733) 6.840 6.068 ( -0.860 -0.092 -4.015) 4.107 6.068 ( -0.860 -0.092 4.015) 4.107 6.220 ( -0.927 -0.579 -7.210) 7.293 6.220 ( -0.927 -0.579 7.210) 7.293 6.965 ( 7.609 1.968 -9.646) 12.442 6.965 ( 7.609 1.968 9.646) 12.442 7.480 ( -1.661 -1.126 -2.223) 2.994 7.480 ( -1.661 -1.126 2.223) 2.994 8.207 ( -3.969 0.341 -4.516) 6.022 8.207 ( -3.969 0.341 4.516) 6.022 ======================= Grid point 619 (174/228) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 9.743 -0.284 -16.596) 19.247 1.082 ( 9.743 -0.284 16.596) 19.247 1.789 ( 11.079 -0.387 -20.938) 23.692 1.789 ( 11.079 -0.387 20.938) 23.692 2.634 ( 16.615 0.118 -17.973) 24.477 2.634 ( 16.615 0.118 17.973) 24.477 3.858 ( -0.479 0.349 -0.999) 1.162 3.858 ( -0.479 0.349 0.999) 1.162 4.231 ( -8.772 -0.446 -10.485) 13.678 4.231 ( -8.772 -0.446 10.485) 13.678 4.876 ( 5.051 1.117 -8.740) 10.156 4.876 ( 5.051 1.117 8.740) 10.156 5.638 ( 0.356 0.103 -2.236) 2.266 5.638 ( 0.356 0.103 2.236) 2.266 6.074 ( 1.896 -0.224 -0.697) 2.033 6.074 ( 1.896 -0.224 0.697) 2.033 6.202 ( -1.111 -0.970 -5.964) 6.144 6.202 ( -1.111 -0.970 5.964) 6.144 7.097 ( 6.082 2.363 -12.497) 14.097 7.097 ( 6.082 2.363 12.497) 14.097 7.458 ( -0.604 -0.561 -3.992) 4.076 7.458 ( -0.604 -0.561 3.992) 4.076 8.104 ( -6.268 0.437 -7.076) 9.464 8.104 ( -6.268 0.437 7.076) 9.464 ======================= Grid point 621 (175/228) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 11.251 0.164 -14.217) 18.132 1.287 ( 11.251 0.164 14.217) 18.132 1.973 ( 8.405 -0.354 -18.922) 20.708 1.973 ( 8.405 -0.354 18.922) 20.708 2.999 ( 20.395 0.407 -10.995) 23.174 2.999 ( 20.395 0.407 10.995) 23.174 3.844 ( -0.987 0.227 -2.810) 2.987 3.844 ( -0.987 0.227 2.810) 2.987 4.091 ( -5.466 -0.511 -13.226) 14.320 4.091 ( -5.466 -0.511 13.226) 14.320 4.965 ( 4.181 0.724 -10.294) 11.134 4.965 ( 4.181 0.724 10.294) 11.134 5.590 ( -4.770 0.134 -1.470) 4.993 5.590 ( -4.770 0.134 1.470) 4.993 6.124 ( 1.239 -1.301 -6.928) 7.157 6.124 ( 1.239 -1.301 6.928) 7.157 6.214 ( 3.233 -0.173 -2.344) 3.998 6.214 ( 3.233 -0.173 2.344) 3.998 7.144 ( 0.039 0.390 -12.352) 12.359 7.144 ( 0.039 0.390 12.352) 12.359 7.475 ( 2.581 1.987 -7.581) 8.252 7.475 ( 2.581 1.987 7.581) 8.252 7.975 ( -6.851 0.281 -9.885) 12.031 7.975 ( -6.851 0.281 9.885) 12.031 ======================= Grid point 623 (176/228) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 10.470 1.036 -11.483) 15.574 1.494 ( 10.470 1.036 11.483) 15.574 2.129 ( 7.955 -0.098 -13.426) 15.606 2.129 ( 7.955 -0.098 13.426) 15.606 3.357 ( 16.340 0.586 -6.677) 17.662 3.357 ( 16.340 0.586 6.677) 17.662 3.806 ( -2.818 -0.050 -11.314) 11.659 3.806 ( -2.818 -0.050 11.314) 11.659 4.049 ( 0.944 -0.212 -7.539) 7.601 4.049 ( 0.944 -0.212 7.539) 7.601 5.014 ( 1.096 -0.073 -8.727) 8.796 5.014 ( 1.096 -0.073 8.727) 8.796 5.479 ( -6.197 0.182 -1.726) 6.435 5.479 ( -6.197 0.182 1.726) 6.435 6.130 ( -0.674 -1.708 -5.753) 6.039 6.130 ( -0.674 -1.708 5.753) 6.039 6.318 ( 6.497 0.476 -3.388) 7.343 6.318 ( 6.497 0.476 3.388) 7.343 7.127 ( -1.121 -0.642 -11.629) 11.701 7.127 ( -1.121 -0.642 11.629) 11.701 7.511 ( 2.203 3.078 -9.917) 10.615 7.511 ( 2.203 3.078 9.917) 10.615 7.846 ( -6.542 -0.021 -12.243) 13.881 7.846 ( -6.542 -0.021 12.243) 13.881 ======================= Grid point 625 (177/228) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 8.172 1.669 -8.050) 11.592 1.666 ( 8.172 1.669 8.050) 11.592 2.275 ( 7.209 0.186 -7.051) 10.085 2.275 ( 7.209 0.186 7.051) 10.085 3.568 ( 4.412 0.140 -5.906) 7.373 3.568 ( 4.412 0.140 5.906) 7.373 3.778 ( 1.943 0.368 -11.941) 12.104 3.778 ( 1.943 0.368 11.941) 12.104 4.106 ( 3.915 -0.007 -3.587) 5.310 4.106 ( 3.915 -0.007 3.587) 5.310 5.016 ( -0.812 -0.773 -6.010) 6.114 5.016 ( -0.812 -0.773 6.010) 6.114 5.367 ( -5.186 0.083 -0.794) 5.247 5.367 ( -5.186 0.083 0.794) 5.247 6.129 ( -0.169 -1.168 -3.622) 3.809 6.129 ( -0.169 -1.168 3.622) 3.809 6.432 ( 5.400 0.531 -3.282) 6.341 6.432 ( 5.400 0.531 3.282) 6.341 7.129 ( 1.246 -0.789 -10.725) 10.826 7.129 ( 1.246 -0.789 10.725) 10.826 7.514 ( -0.269 2.869 -9.728) 10.145 7.514 ( -0.269 2.869 9.728) 10.145 7.730 ( -5.472 -0.336 -12.879) 13.997 7.730 ( -5.472 -0.336 12.879) 13.997 ======================= Grid point 627 (178/228) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 4.549 1.325 -4.112) 6.274 1.780 ( 4.549 1.325 4.112) 6.274 2.390 ( 4.598 0.222 -2.279) 5.136 2.390 ( 4.598 0.222 2.279) 5.136 3.559 ( -2.487 -0.038 -6.473) 6.935 3.559 ( -2.487 -0.038 6.473) 6.935 3.865 ( 5.010 0.328 -5.021) 7.101 3.865 ( 5.010 0.328 5.021) 7.101 4.166 ( 1.901 0.102 -1.331) 2.323 4.166 ( 1.901 0.102 1.331) 2.323 5.005 ( -0.630 -0.746 -3.081) 3.232 5.005 ( -0.630 -0.746 3.081) 3.232 5.288 ( -2.899 -0.009 -0.354) 2.920 5.288 ( -2.899 -0.009 0.354) 2.920 6.135 ( 0.142 -0.521 -1.828) 1.906 6.135 ( 0.142 -0.521 1.828) 1.906 6.510 ( 2.915 0.317 -1.895) 3.491 6.510 ( 2.915 0.317 1.895) 3.491 7.184 ( 3.705 -0.782 -8.266) 9.093 7.184 ( 3.705 -0.782 8.266) 9.093 7.462 ( -3.570 1.946 -4.415) 6.002 7.462 ( -3.570 1.946 4.415) 6.002 7.653 ( -2.510 -0.256 -7.581) 7.990 7.653 ( -2.510 -0.256 7.581) 7.990 ======================= Grid point 629 (179/228) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 -0.000 -0.275) 0.275 1.820 ( 0.000 -0.000 0.275) 0.275 2.435 ( 0.000 -0.000 -0.385) 0.385 2.435 ( 0.000 -0.000 0.385) 0.385 3.530 ( 0.000 -0.000 -0.950) 0.950 3.530 ( 0.000 -0.000 0.950) 0.950 3.917 ( 0.000 -0.000 -0.037) 0.037 3.917 ( 0.000 -0.000 0.037) 0.037 4.180 ( 0.000 -0.000 -0.199) 0.199 4.180 ( 0.000 -0.000 0.199) 0.199 5.001 ( 0.000 -0.000 -0.959) 0.959 5.001 ( 0.000 -0.000 0.959) 0.959 5.260 ( 0.000 -0.000 -0.299) 0.299 5.260 ( 0.000 -0.000 0.299) 0.299 6.138 ( 0.000 -0.000 -0.566) 0.566 6.138 ( 0.000 -0.000 0.566) 0.566 6.537 ( 0.000 -0.000 -0.232) 0.232 6.537 ( 0.000 -0.000 0.232) 0.232 7.241 ( 0.000 -0.000 -1.056) 1.056 7.241 ( 0.000 -0.000 1.056) 1.056 7.400 ( 0.000 -0.000 -3.196) 3.196 7.400 ( 0.000 -0.000 3.196) 3.196 7.632 ( 0.000 -0.000 -1.733) 1.733 7.632 ( 0.000 -0.000 1.733) 1.733 ======================= Grid point 647 (180/228) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 9.833 -0.000 -16.725) 19.402 1.080 ( 9.833 -0.000 16.725) 19.402 1.787 ( 11.108 -0.000 -20.976) 23.736 1.787 ( 11.108 -0.000 20.976) 23.736 2.634 ( 16.673 -0.000 -18.066) 24.583 2.634 ( 16.673 -0.000 18.066) 24.583 3.860 ( -0.498 0.000 -0.961) 1.083 3.860 ( -0.498 0.000 0.961) 1.083 4.229 ( -8.795 0.000 -10.457) 13.664 4.229 ( -8.795 0.000 10.457) 13.664 4.882 ( 4.855 -0.000 -8.860) 10.103 4.882 ( 4.855 -0.000 8.860) 10.103 5.639 ( 0.318 -0.000 -2.247) 2.270 5.639 ( 0.318 -0.000 2.247) 2.270 6.073 ( 1.816 -0.000 -0.074) 1.818 6.073 ( 1.816 -0.000 0.074) 1.818 6.197 ( -0.995 0.000 -5.866) 5.950 6.197 ( -0.995 0.000 5.866) 5.950 7.111 ( 5.376 -0.000 -13.234) 14.284 7.111 ( 5.376 -0.000 13.234) 14.284 7.454 ( 0.101 -0.000 -4.054) 4.055 7.454 ( 0.101 -0.000 4.054) 4.055 8.107 ( -6.336 0.000 -6.941) 9.398 8.107 ( -6.336 0.000 6.941) 9.398 ======================= Grid point 649 (181/228) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 11.530 0.059 -14.251) 18.331 1.288 ( 11.530 0.059 14.251) 18.331 1.970 ( 8.515 -0.122 -18.929) 20.756 1.970 ( 8.515 -0.122 18.929) 20.756 3.002 ( 20.468 0.140 -11.079) 23.274 3.002 ( 20.468 0.140 11.079) 23.274 3.846 ( -1.142 0.097 -2.918) 3.135 3.846 ( -1.142 0.097 2.918) 3.135 4.087 ( -5.338 -0.198 -13.245) 14.282 4.087 ( -5.338 -0.198 13.245) 14.282 4.971 ( 3.828 0.263 -10.391) 11.077 4.971 ( 3.828 0.263 10.391) 11.077 5.591 ( -4.749 0.040 -1.528) 4.989 5.591 ( -4.749 0.040 1.528) 4.989 6.113 ( 0.804 -0.489 -7.209) 7.270 6.113 ( 0.804 -0.489 7.209) 7.270 6.213 ( 3.819 -0.040 -2.206) 4.410 6.213 ( 3.819 -0.040 2.206) 4.410 7.147 ( -0.759 0.120 -12.458) 12.481 7.147 ( -0.759 0.120 12.458) 12.481 7.491 ( 3.220 0.728 -8.236) 8.873 7.491 ( 3.220 0.728 8.236) 8.873 7.977 ( -6.972 0.125 -9.805) 12.032 7.977 ( -6.972 0.125 9.805) 12.032 ======================= Grid point 651 (182/228) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 10.801 0.565 -11.284) 15.631 1.503 ( 10.801 0.565 11.284) 15.631 2.128 ( 8.118 -0.047 -13.390) 15.659 2.128 ( 8.118 -0.047 13.390) 15.659 3.362 ( 16.271 0.318 -6.640) 17.576 3.362 ( 16.271 0.318 6.640) 17.576 3.806 ( -2.812 -0.012 -11.442) 11.783 3.806 ( -2.812 -0.012 11.442) 11.783 4.047 ( 1.083 -0.140 -7.489) 7.568 4.047 ( 1.083 -0.140 7.489) 7.568 5.013 ( 0.685 -0.048 -8.771) 8.798 5.013 ( 0.685 -0.048 8.771) 8.798 5.481 ( -6.225 0.096 -1.891) 6.507 5.481 ( -6.225 0.096 1.891) 6.507 6.114 ( -0.374 -0.926 -6.104) 6.185 6.114 ( -0.374 -0.926 6.104) 6.185 6.322 ( 6.562 0.258 -3.359) 7.377 6.322 ( 6.562 0.258 3.359) 7.377 7.121 ( -1.235 -0.325 -11.671) 11.740 7.121 ( -1.235 -0.325 11.671) 11.740 7.538 ( 2.014 1.650 -10.567) 10.883 7.538 ( 2.014 1.650 10.567) 10.883 7.846 ( -6.696 0.027 -12.350) 14.048 7.846 ( -6.696 0.027 12.350) 14.048 ======================= Grid point 653 (183/228) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 8.187 1.131 -7.720) 11.309 1.682 ( 8.187 1.131 7.720) 11.309 2.277 ( 7.300 0.136 -7.008) 10.120 2.277 ( 7.300 0.136 7.008) 10.120 3.570 ( 4.061 0.086 -5.892) 7.156 3.570 ( 4.061 0.086 5.892) 7.156 3.781 ( 2.194 0.254 -11.826) 12.031 3.781 ( 2.194 0.254 11.826) 12.031 4.106 ( 4.018 -0.014 -3.588) 5.387 4.106 ( 4.018 -0.014 3.588) 5.387 5.008 ( -0.979 -0.541 -6.041) 6.143 5.008 ( -0.979 -0.541 6.041) 6.143 5.368 ( -5.259 0.056 -0.911) 5.337 5.368 ( -5.259 0.056 0.911) 5.337 6.118 ( 0.238 -0.791 -4.050) 4.133 6.118 ( 0.238 -0.791 4.050) 4.133 6.437 ( 5.355 0.405 -3.232) 6.267 6.437 ( 5.355 0.405 3.232) 6.267 7.121 ( 1.243 -0.553 -10.875) 10.960 7.121 ( 1.243 -0.553 10.875) 10.960 7.542 ( -0.676 1.968 -10.161) 10.372 7.542 ( -0.676 1.968 10.161) 10.372 7.726 ( -5.591 -0.239 -13.181) 14.320 7.726 ( -5.591 -0.239 13.181) 14.320 ======================= Grid point 655 (184/228) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.988 1.026 -3.805) 5.607 1.793 ( 3.988 1.026 3.805) 5.607 2.392 ( 4.517 0.174 -2.275) 5.060 2.392 ( 4.517 0.174 2.275) 5.060 3.558 ( -2.441 -0.021 -6.189) 6.653 3.558 ( -2.441 -0.021 6.189) 6.653 3.868 ( 4.813 0.248 -5.079) 7.002 3.868 ( 4.813 0.248 5.079) 7.002 4.167 ( 1.892 0.083 -1.371) 2.338 4.167 ( 1.892 0.083 1.371) 2.338 4.997 ( -0.353 -0.598 -3.096) 3.172 4.997 ( -0.353 -0.598 3.096) 3.172 5.288 ( -2.914 -0.005 -0.387) 2.940 5.288 ( -2.914 -0.005 0.387) 2.940 6.129 ( 0.463 -0.433 -2.217) 2.306 6.129 ( 0.463 -0.433 2.217) 2.306 6.514 ( 2.786 0.352 -1.879) 3.379 6.514 ( 2.786 0.352 1.879) 3.379 7.175 ( 3.712 -0.725 -8.675) 9.464 7.175 ( 3.712 -0.725 8.675) 9.464 7.482 ( -4.312 1.597 -3.381) 5.707 7.482 ( -4.312 1.597 3.381) 5.707 7.651 ( -2.312 -0.215 -6.726) 7.116 7.651 ( -2.312 -0.215 6.726) 7.116 ======================= Grid point 657 (185/228) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.909 -0.043 -0.366) 0.981 1.820 ( -0.909 -0.043 0.366) 0.981 2.435 ( -0.165 -0.018 -0.349) 0.387 2.435 ( -0.165 -0.018 0.350) 0.387 3.530 ( 0.014 0.021 -0.927) 0.927 3.530 ( 0.014 0.021 0.927) 0.927 3.917 ( -0.179 0.002 -0.102) 0.206 3.917 ( -0.179 0.002 0.102) 0.206 4.180 ( -0.087 -0.004 -0.194) 0.212 4.180 ( -0.087 -0.004 0.194) 0.212 5.001 ( 0.516 -0.006 -0.866) 1.008 5.001 ( 0.516 -0.006 0.866) 1.008 5.260 ( 0.021 0.008 -0.345) 0.346 5.260 ( 0.021 0.008 0.345) 0.346 6.138 ( 0.268 -0.038 -0.660) 0.714 6.138 ( 0.268 -0.038 0.660) 0.714 6.538 ( -0.140 0.138 -0.210) 0.288 6.538 ( -0.140 0.138 0.210) 0.288 7.239 ( 0.827 -0.359 -1.948) 2.147 7.239 ( 0.827 -0.359 1.948) 2.147 7.402 ( -1.510 0.254 -3.911) 4.200 7.402 ( -1.510 0.254 3.911) 4.200 7.632 ( 0.115 0.016 -1.962) 1.965 7.632 ( 0.115 0.016 1.962) 1.965 ======================= Grid point 659 (186/228) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -5.174 -1.377 -4.466) 6.973 1.764 ( -5.174 -1.377 4.466) 6.973 2.387 ( -4.674 -0.227 -2.276) 5.203 2.387 ( -4.674 -0.227 2.276) 5.203 3.559 ( 2.527 0.050 -6.774) 7.230 3.559 ( 2.527 0.050 6.774) 7.230 3.861 ( -5.244 -0.347 -4.966) 7.231 3.861 ( -5.244 -0.347 4.966) 7.231 4.164 ( -1.912 -0.103 -1.279) 2.302 4.164 ( -1.912 -0.103 1.279) 2.302 5.013 ( 0.941 0.747 -3.040) 3.269 5.013 ( 0.941 0.747 3.040) 3.269 5.289 ( 2.877 0.013 -0.359) 2.900 5.289 ( 2.877 0.013 0.359) 2.900 6.141 ( 0.237 0.495 -1.374) 1.480 6.141 ( 0.237 0.495 1.374) 1.480 6.507 ( -3.074 -0.173 -1.923) 3.630 6.507 ( -3.074 -0.173 1.923) 3.630 7.192 ( -3.619 0.617 -7.599) 8.439 7.192 ( -3.619 0.617 7.599) 8.439 7.439 ( 2.708 -1.874 -5.308) 6.247 7.439 ( 2.708 -1.874 5.308) 6.247 7.656 ( 2.692 0.249 -8.301) 8.730 7.656 ( 2.692 0.249 8.301) 8.730 ======================= Grid point 661 (187/228) ======================= q-point: (-0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -8.151 -1.901 -8.479) 11.914 1.645 ( -8.151 -1.901 8.479) 11.914 2.273 ( -7.088 -0.191 -7.102) 10.035 2.273 ( -7.088 -0.191 7.102) 10.035 3.566 ( -4.879 -0.178 -5.931) 7.682 3.566 ( -4.879 -0.178 5.931) 7.682 3.773 ( -1.588 -0.409 -12.095) 12.205 3.773 ( -1.588 -0.409 12.095) 12.205 4.106 ( -3.810 -0.012 -3.577) 5.226 4.106 ( -3.810 -0.012 3.577) 5.226 5.025 ( 0.590 0.847 -5.976) 6.065 5.025 ( 0.590 0.847 5.976) 6.065 5.366 ( 5.093 -0.094 -0.642) 5.134 5.366 ( 5.093 -0.094 0.642) 5.134 6.144 ( 0.708 1.325 -3.067) 3.415 6.144 ( 0.708 1.325 3.067) 3.415 6.426 ( -5.497 -0.501 -3.379) 6.472 6.426 ( -5.497 -0.501 3.379) 6.472 7.139 ( -1.164 0.867 -10.441) 10.542 7.139 ( -1.164 0.867 10.441) 10.542 7.478 ( -0.352 -3.239 -9.269) 9.825 7.478 ( -0.352 -3.239 9.269) 9.825 7.734 ( 5.384 0.367 -12.602) 13.709 7.734 ( 5.384 0.367 12.602) 13.709 ======================= Grid point 663 (188/228) ======================= q-point: (-0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -9.985 -1.324 -11.770) 15.491 1.480 ( -9.985 -1.324 11.770) 15.491 2.130 ( -7.714 0.148 -13.475) 15.528 2.130 ( -7.714 0.148 13.475) 15.528 3.349 ( -16.443 -0.753 -6.735) 17.785 3.349 ( -16.443 -0.753 6.735) 17.785 3.807 ( 2.859 0.110 -11.162) 11.522 3.807 ( 2.859 0.110 11.162) 11.522 4.052 ( -0.773 0.196 -7.638) 7.679 4.052 ( -0.773 0.196 7.638) 7.679 5.015 ( -1.686 0.068 -8.669) 8.832 5.015 ( -1.686 0.068 8.669) 8.832 5.477 ( 6.142 -0.243 -1.485) 6.324 5.477 ( 6.142 -0.243 1.485) 6.324 6.152 ( 1.114 2.199 -5.250) 5.800 6.152 ( 1.114 2.199 5.250) 5.800 6.311 ( -6.444 -0.608 -3.459) 7.339 6.311 ( -6.444 -0.608 3.459) 7.339 7.136 ( 0.988 0.948 -11.568) 11.649 7.136 ( 0.988 0.948 11.568) 11.649 7.469 ( -2.489 -4.045 -8.882) 10.072 7.469 ( -2.489 -4.045 8.882) 10.072 7.846 ( 6.362 0.121 -12.034) 13.612 7.846 ( 6.362 0.121 12.034) 13.612 ======================= Grid point 665 (189/228) ======================= q-point: (-0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -10.729 -0.234 -14.145) 17.755 1.285 ( -10.729 -0.234 14.145) 17.755 1.978 ( -8.202 0.544 -18.908) 20.617 1.978 ( -8.202 0.544 18.908) 20.617 2.993 ( -20.280 -0.628 -10.852) 23.010 2.993 ( -20.280 -0.628 10.852) 23.010 3.841 ( 0.727 -0.225 -2.659) 2.766 3.841 ( 0.727 -0.225 2.659) 2.766 4.098 ( 5.684 0.636 -13.254) 14.436 4.098 ( 5.684 0.636 13.254) 14.436 4.955 ( -4.784 -1.019 -10.142) 11.260 4.955 ( -4.784 -1.019 10.142) 11.260 5.588 ( 4.783 -0.249 -1.343) 4.974 5.588 ( 4.783 -0.249 1.343) 4.974 6.141 ( -2.344 1.590 -6.312) 6.919 6.141 ( -2.344 1.590 6.312) 6.919 6.218 ( -1.881 0.514 -2.720) 3.347 6.218 ( -1.881 0.514 2.720) 3.347 7.138 ( -1.687 -0.723 -12.068) 12.207 7.138 ( -1.687 -0.723 12.068) 12.207 7.448 ( -1.172 -2.694 -6.381) 7.025 7.448 ( -1.172 -2.694 6.381) 7.025 7.972 ( 6.658 -0.255 -9.940) 11.966 7.972 ( 6.658 -0.255 9.940) 11.966 ======================= Grid point 667 (190/228) ======================= q-point: (-0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -9.463 0.572 -16.212) 18.781 1.086 ( -9.463 0.572 16.212) 18.781 1.796 ( -10.998 0.722 -20.828) 23.564 1.796 ( -10.998 0.722 20.828) 23.564 2.631 ( -16.470 -0.277 -17.722) 24.195 2.631 ( -16.470 -0.277 17.722) 24.195 3.852 ( 0.410 -0.558 -1.059) 1.266 3.852 ( 0.410 -0.558 1.059) 1.266 4.238 ( 8.725 0.743 -10.571) 13.727 4.238 ( 8.725 0.743 10.571) 13.727 4.858 ( -5.566 -1.910 -8.441) 10.290 4.858 ( -5.566 -1.910 8.441) 10.290 5.636 ( -0.463 -0.263 -2.207) 2.271 5.636 ( -0.463 -0.263 2.207) 2.271 6.078 ( -2.057 0.351 -1.198) 2.406 6.078 ( -2.057 0.351 1.198) 2.406 6.218 ( 1.363 1.751 -6.181) 6.567 6.218 ( 1.363 1.751 6.181) 6.567 7.059 ( -7.734 -4.100 -10.578) 13.730 7.059 ( -7.734 -4.100 10.578) 13.730 7.467 ( 2.296 0.964 -3.800) 4.543 7.467 ( 2.296 0.964 3.800) 4.543 8.098 ( 6.096 -0.628 -7.385) 9.596 8.098 ( 6.096 -0.628 7.385) 9.596 ======================= Grid point 669 (191/228) ======================= q-point: (-0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -5.141 0.739 -18.822) 19.526 0.939 ( -5.141 0.739 18.822) 19.526 1.560 ( -11.817 0.638 -20.598) 23.755 1.560 ( -11.817 0.638 20.598) 23.755 2.405 ( -7.242 0.044 -25.527) 26.534 2.405 ( -7.242 0.044 25.527) 26.534 3.864 ( 0.402 -0.476 -1.766) 1.873 3.864 ( 0.402 -0.476 1.766) 1.873 4.381 ( 5.150 0.396 -1.733) 5.449 4.381 ( 5.150 0.396 1.733) 5.449 4.806 ( -0.198 -2.448 -1.306) 2.782 4.806 ( -0.198 -2.448 1.306) 2.782 5.576 ( -5.039 -0.440 -4.602) 6.839 5.576 ( -5.039 -0.440 4.602) 6.839 6.070 ( 0.875 0.260 -4.038) 4.140 6.070 ( 0.875 0.260 4.038) 4.140 6.232 ( 0.947 1.563 -7.203) 7.431 6.232 ( 0.947 1.563 7.203) 7.431 6.924 ( -7.915 -4.973 -7.512) 11.992 6.924 ( -7.915 -4.973 7.512) 11.992 7.503 ( 2.169 2.742 -2.618) 4.368 7.503 ( 2.169 2.742 2.618) 4.368 8.200 ( 3.875 -0.835 -4.944) 6.337 8.200 ( 3.875 -0.835 4.944) 6.337 ======================= Grid point 671 (192/228) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 0.509 -20.977) 20.983 0.888 ( 0.000 0.509 20.977) 20.983 1.425 ( 0.000 0.457 -21.672) 21.677 1.425 ( 0.000 0.457 21.672) 21.677 2.339 ( 0.000 0.130 -28.596) 28.596 2.339 ( 0.000 0.130 28.596) 28.596 3.870 ( -0.000 -0.279 -1.870) 1.891 3.870 ( -0.000 -0.279 1.870) 1.891 4.420 ( 0.000 0.072 -9.830) 9.830 4.420 ( 0.000 0.072 9.830) 9.830 4.842 ( -0.000 -2.097 -6.050) 6.403 4.842 ( -0.000 -2.097 6.050) 6.403 5.513 ( -0.000 -0.362 -4.042) 4.058 5.513 ( -0.000 -0.362 4.042) 4.058 6.082 ( 0.000 0.191 -3.690) 3.695 6.082 ( 0.000 0.191 3.690) 3.695 6.234 ( 0.000 1.125 -7.172) 7.260 6.234 ( 0.000 1.125 7.172) 7.260 6.864 ( -0.000 -3.856 -6.051) 7.175 6.864 ( -0.000 -3.856 6.051) 7.175 7.509 ( 0.000 2.484 -2.043) 3.216 7.509 ( 0.000 2.484 2.043) 3.216 8.244 ( -0.000 -0.719 -3.681) 3.751 8.244 ( -0.000 -0.719 3.681) 3.751 ======================= Grid point 677 (193/228) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 10.918 -0.000 -11.214) 15.651 1.506 ( 10.918 -0.000 11.214) 15.651 2.128 ( 8.175 -0.000 -13.377) 15.677 2.128 ( 8.175 -0.000 13.377) 15.677 3.364 ( 16.246 -0.000 -6.627) 17.545 3.364 ( 16.246 -0.000 6.627) 17.545 3.806 ( -2.814 0.000 -11.493) 11.833 3.806 ( -2.814 0.000 11.493) 11.833 4.047 ( 1.136 -0.000 -7.475) 7.561 4.047 ( 1.136 -0.000 7.475) 7.561 5.013 ( 0.537 -0.000 -8.789) 8.805 5.013 ( 0.537 -0.000 8.789) 8.805 5.481 ( -6.234 0.000 -1.951) 6.532 5.481 ( -6.234 0.000 1.951) 6.532 6.109 ( -0.267 0.000 -6.231) 6.237 6.109 ( -0.267 0.000 6.231) 6.237 6.324 ( 6.591 -0.000 -3.352) 7.394 6.324 ( 6.591 -0.000 3.352) 7.394 7.119 ( -1.280 0.000 -11.685) 11.755 7.119 ( -1.280 0.000 11.685) 11.755 7.548 ( 1.949 -0.000 -10.782) 10.956 7.548 ( 1.949 -0.000 10.782) 10.956 7.846 ( -6.758 0.000 -12.374) 14.099 7.846 ( -6.758 0.000 12.374) 14.099 ======================= Grid point 679 (194/228) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 8.193 0.399 -7.541) 11.143 1.691 ( 8.193 0.399 7.541) 11.143 2.278 ( 7.348 0.050 -6.983) 10.137 2.278 ( 7.348 0.050 6.983) 10.137 3.570 ( 3.875 0.029 -5.886) 7.047 3.570 ( 3.875 0.029 5.886) 7.047 3.783 ( 2.320 0.090 -11.766) 11.992 3.783 ( 2.320 0.090 11.766) 11.992 4.106 ( 4.083 -0.007 -3.584) 5.433 4.106 ( 4.083 -0.007 3.584) 5.433 5.004 ( -1.068 -0.194 -6.059) 6.155 5.004 ( -1.068 -0.194 6.059) 6.155 5.368 ( -5.298 0.020 -0.977) 5.387 5.368 ( -5.298 0.020 0.977) 5.387 6.112 ( 0.454 -0.278 -4.282) 4.315 6.112 ( 0.454 -0.278 4.282) 4.315 6.440 ( 5.343 0.151 -3.214) 6.237 6.440 ( 5.343 0.151 3.214) 6.237 7.117 ( 1.220 -0.199 -10.938) 11.007 7.117 ( 1.220 -0.199 10.938) 11.007 7.558 ( -0.863 0.700 -10.424) 10.483 7.558 ( -0.863 0.700 10.424) 10.483 7.725 ( -5.687 -0.087 -13.389) 14.547 7.725 ( -5.687 -0.087 13.389) 14.547 ======================= Grid point 681 (195/228) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 3.601 0.556 -3.601) 5.122 1.803 ( 3.601 0.556 3.601) 5.122 2.394 ( 4.453 0.095 -2.268) 4.998 2.394 ( 4.453 0.095 2.268) 4.998 3.558 ( -2.405 -0.008 -5.982) 6.447 3.558 ( -2.405 -0.008 5.982) 6.447 3.870 ( 4.685 0.131 -5.125) 6.945 3.870 ( 4.685 0.131 5.125) 6.945 4.167 ( 1.886 0.048 -1.394) 2.346 4.167 ( 1.886 0.048 1.394) 2.346 4.991 ( -0.163 -0.332 -3.093) 3.115 4.991 ( -0.163 -0.332 3.093) 3.115 5.288 ( -2.924 -0.002 -0.425) 2.954 5.288 ( -2.924 -0.002 0.425) 2.954 6.125 ( 0.674 -0.245 -2.477) 2.578 6.125 ( 0.674 -0.245 2.477) 2.578 6.517 ( 2.707 0.232 -1.876) 3.302 6.517 ( 2.707 0.232 1.876) 3.302 7.168 ( 3.685 -0.435 -8.882) 9.626 7.168 ( 3.685 -0.435 8.882) 9.626 7.497 ( -4.826 0.899 -2.138) 5.355 7.497 ( -4.826 0.899 2.138) 5.355 7.649 ( -2.146 -0.125 -5.911) 6.290 7.649 ( -2.146 -0.125 5.911) 6.290 ======================= Grid point 683 (196/228) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -1.639 -0.054 -0.515) 1.719 1.819 ( -1.639 -0.054 0.515) 1.719 2.435 ( -0.296 -0.022 -0.253) 0.390 2.435 ( -0.296 -0.022 0.253) 0.390 3.530 ( 0.024 0.026 -0.872) 0.873 3.530 ( 0.024 0.026 0.872) 0.873 3.917 ( -0.320 0.003 -0.176) 0.366 3.917 ( -0.320 0.003 0.176) 0.366 4.180 ( -0.159 -0.005 -0.180) 0.240 4.180 ( -0.159 -0.005 0.180) 0.240 5.001 ( 0.931 -0.007 -0.606) 1.111 5.001 ( 0.931 -0.007 0.606) 1.111 5.260 ( 0.038 0.009 -0.430) 0.432 5.260 ( 0.038 0.009 0.430) 0.432 6.137 ( 0.481 -0.048 -0.833) 0.963 6.137 ( 0.481 -0.048 0.833) 0.963 6.540 ( -0.248 0.172 -0.148) 0.337 6.540 ( -0.248 0.172 0.148) 0.337 7.234 ( 1.389 -0.431 -2.988) 3.323 7.234 ( 1.389 -0.431 2.988) 3.323 7.405 ( -2.619 0.299 -5.051) 5.698 7.405 ( -2.619 0.299 5.051) 5.698 7.632 ( 0.205 0.020 -2.400) 2.409 7.632 ( 0.205 0.020 2.400) 2.409 ======================= Grid point 685 (197/228) ======================= q-point: (-0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -5.740 -1.142 -4.800) 7.569 1.749 ( -5.740 -1.142 4.800) 7.569 2.385 ( -4.731 -0.184 -2.266) 5.248 2.385 ( -4.731 -0.184 2.266) 5.248 3.560 ( 2.556 0.047 -7.034) 7.484 3.560 ( 2.556 0.047 7.034) 7.484 3.857 ( -5.470 -0.289 -4.925) 7.366 3.857 ( -5.470 -0.289 4.925) 7.366 4.163 ( -1.922 -0.086 -1.223) 2.280 4.163 ( -1.922 -0.086 1.223) 2.280 5.021 ( 1.223 0.600 -2.978) 3.275 5.021 ( 1.223 0.600 2.978) 3.275 5.289 ( 2.855 0.013 -0.404) 2.883 5.289 ( 2.855 0.013 0.404) 2.883 6.146 ( 0.594 0.374 -0.936) 1.170 6.146 ( 0.594 0.374 0.936) 1.170 6.506 ( -3.226 -0.028 -1.954) 3.772 6.506 ( -3.226 -0.028 1.954) 3.772 7.198 ( -3.446 0.342 -6.723) 7.563 7.198 ( -3.446 0.342 6.723) 7.563 7.420 ( 1.862 -1.423 -6.150) 6.582 7.420 ( 1.862 -1.423 6.150) 6.582 7.659 ( 2.833 0.198 -8.837) 9.282 7.659 ( 2.833 0.198 8.837) 9.282 ======================= Grid point 687 (198/228) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -8.124 -1.759 -8.926) 12.197 1.623 ( -8.124 -1.759 8.926) 12.197 2.271 ( -6.959 -0.160 -7.148) 9.978 2.271 ( -6.959 -0.160 7.148) 9.978 3.564 ( -5.377 -0.180 -5.968) 8.035 3.564 ( -5.377 -0.180 5.968) 8.035 3.769 ( -1.191 -0.368 -12.262) 12.325 3.769 ( -1.191 -0.368 12.262) 12.325 4.106 ( -3.726 -0.031 -3.556) 5.151 4.106 ( -3.726 -0.031 3.556) 5.151 5.035 ( 0.353 0.754 -5.946) 6.004 5.035 ( 0.353 0.754 5.946) 6.004 5.365 ( 4.995 -0.086 -0.473) 5.018 5.365 ( 4.995 -0.086 0.473) 5.018 6.159 ( 1.278 1.207 -2.487) 3.045 6.159 ( 1.278 1.207 2.487) 3.045 6.421 ( -5.635 -0.353 -3.513) 6.650 6.421 ( -5.635 -0.353 3.513) 6.650 7.149 ( -0.953 0.783 -9.980) 10.056 7.149 ( -0.953 0.783 9.980) 10.056 7.442 ( -1.110 -2.988 -8.916) 9.469 7.442 ( -1.110 -2.988 8.916) 9.469 7.738 ( 5.339 0.330 -12.406) 13.510 7.738 ( 5.339 0.330 12.406) 13.510 ======================= Grid point 689 (199/228) ======================= q-point: (-0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -9.433 -1.358 -12.087) 15.392 1.464 ( -9.433 -1.358 12.087) 15.392 2.132 ( -7.437 0.176 -13.527) 15.438 2.132 ( -7.437 0.176 13.527) 15.438 3.340 ( -16.560 -0.780 -6.807) 17.922 3.340 ( -16.560 -0.780 6.807) 17.922 3.809 ( 2.944 0.160 -11.037) 11.424 3.809 ( 2.944 0.160 11.037) 11.424 4.054 ( -0.618 0.125 -7.783) 7.809 4.054 ( -0.618 0.125 7.783) 7.809 5.016 ( -2.332 0.044 -8.610) 8.920 5.016 ( -2.332 0.044 8.610) 8.920 5.474 ( 6.064 -0.259 -1.204) 6.188 5.474 ( 6.064 -0.259 1.204) 6.188 6.178 ( 1.623 2.270 -4.680) 5.448 6.178 ( 1.623 2.270 4.680) 5.448 6.304 ( -6.461 -0.613 -3.603) 7.423 6.304 ( -6.461 -0.613 3.603) 7.423 7.148 ( 0.920 1.225 -11.513) 11.614 7.148 ( 0.920 1.225 11.513) 11.614 7.420 ( -2.848 -4.367 -7.600) 9.216 7.420 ( -2.848 -4.367 7.600) 9.216 7.848 ( 6.210 0.198 -11.780) 13.319 7.848 ( 6.210 0.198 11.780) 13.319 ======================= Grid point 691 (200/228) ======================= q-point: (-0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -10.040 -0.253 -14.031) 17.255 1.282 ( -10.040 -0.253 14.031) 17.255 1.985 ( -7.941 0.650 -18.885) 20.497 1.985 ( -7.941 0.650 18.885) 20.497 2.985 ( -20.166 -0.756 -10.691) 22.837 2.985 ( -20.166 -0.756 10.691) 22.837 3.839 ( 0.433 -0.127 -2.541) 2.581 3.839 ( 0.433 -0.127 2.541) 2.581 4.105 ( 5.941 0.586 -13.383) 14.655 4.105 ( 5.941 0.586 13.383) 14.655 4.943 ( -5.479 -1.098 -9.984) 11.441 4.943 ( -5.479 -1.098 9.984) 11.441 5.584 ( 4.760 -0.341 -1.145) 4.908 5.584 ( 4.760 -0.341 1.145) 4.908 6.157 ( -4.110 1.113 -5.277) 6.781 6.157 ( -4.110 1.113 5.277) 6.781 6.227 ( 0.144 1.180 -3.492) 3.688 6.227 ( 0.144 1.180 3.492) 3.688 7.127 ( -4.102 -1.060 -11.499) 12.254 7.127 ( -4.102 -1.060 11.499) 12.254 7.416 ( 1.030 -2.669 -4.874) 5.652 7.416 ( 1.030 -2.669 4.874) 5.652 7.969 ( 6.454 -0.119 -9.903) 11.822 7.969 ( 6.454 -0.119 9.903) 11.822 ======================= Grid point 693 (201/228) ======================= q-point: (-0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -8.987 0.824 -15.605) 18.026 1.094 ( -8.987 0.824 15.605) 18.026 1.805 ( -10.880 0.951 -20.662) 23.371 1.805 ( -10.880 0.951 20.662) 23.371 2.627 ( -16.298 -0.468 -17.386) 23.835 2.627 ( -16.298 -0.468 17.386) 23.835 3.846 ( 0.279 -0.582 -1.057) 1.239 3.846 ( 0.279 -0.582 1.057) 1.239 4.248 ( 8.691 0.831 -10.710) 13.818 4.248 ( 8.691 0.831 10.710) 13.818 4.834 ( -6.226 -2.217 -8.095) 10.450 4.834 ( -6.226 -2.217 8.095) 10.450 5.632 ( -0.622 -0.443 -2.175) 2.305 5.632 ( -0.622 -0.443 2.175) 2.305 6.082 ( -2.160 0.356 -1.418) 2.608 6.082 ( -2.160 0.356 1.418) 2.608 6.241 ( 1.570 2.168 -6.400) 6.937 6.241 ( 1.570 2.168 6.400) 6.937 7.007 ( -9.501 -4.840 -8.125) 13.406 7.007 ( -9.501 -4.840 8.125) 13.406 7.479 ( 4.218 1.149 -3.499) 5.599 7.479 ( 4.218 1.149 3.499) 5.599 8.091 ( 5.883 -0.546 -7.689) 9.697 8.091 ( 5.883 -0.546 7.689) 9.697 ======================= Grid point 695 (202/228) ======================= q-point: (-0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -4.977 1.303 -17.984) 18.706 0.950 ( -4.977 1.303 17.984) 18.706 1.569 ( -11.799 0.944 -20.342) 23.535 1.569 ( -11.799 0.944 20.342) 23.535 2.405 ( -7.111 -0.092 -25.168) 26.153 2.405 ( -7.111 -0.092 25.168) 26.153 3.857 ( 0.435 -0.677 -1.740) 1.917 3.857 ( 0.435 -0.677 1.740) 1.917 4.386 ( 4.891 0.561 -1.788) 5.238 4.386 ( 4.891 0.561 1.788) 5.238 4.773 ( -0.728 -3.214 -2.117) 3.916 4.773 ( -0.728 -3.214 2.117) 3.916 5.570 ( -5.187 -0.680 -4.424) 6.852 5.570 ( -5.187 -0.680 4.424) 6.852 6.074 ( 0.899 0.377 -4.055) 4.170 6.074 ( 0.899 0.377 4.055) 4.170 6.254 ( 0.957 2.114 -7.223) 7.587 6.254 ( 0.957 2.114 7.223) 7.587 6.858 ( -8.265 -6.187 -4.568) 11.290 6.858 ( -8.265 -6.187 4.568) 11.290 7.538 ( 2.932 3.279 -3.280) 5.487 7.538 ( 2.932 3.279 3.280) 5.487 8.190 ( 3.730 -0.933 -5.568) 6.767 8.190 ( 3.730 -0.933 5.568) 6.767 ======================= Grid point 697 (203/228) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 1.146 -20.243) 20.275 0.897 ( 0.000 1.146 20.243) 20.275 1.432 ( 0.000 0.821 -21.438) 21.453 1.432 ( 0.000 0.821 21.438) 21.453 2.340 ( 0.000 0.110 -28.284) 28.284 2.340 ( 0.000 0.110 28.284) 28.284 3.865 ( -0.000 -0.541 -1.792) 1.872 3.865 ( -0.000 -0.541 1.792) 1.872 4.421 ( 0.000 0.131 -9.863) 9.864 4.421 ( 0.000 0.131 9.863) 9.864 4.809 ( -0.000 -3.424 -7.903) 8.613 4.809 ( -0.000 -3.424 7.903) 8.613 5.507 ( -0.000 -0.648 -4.102) 4.153 5.507 ( -0.000 -0.648 4.102) 4.153 6.085 ( 0.000 0.338 -3.803) 3.818 6.085 ( 0.000 0.338 3.803) 3.818 6.251 ( 0.000 1.902 -7.153) 7.401 6.251 ( 0.000 1.902 7.153) 7.401 6.806 ( -0.000 -5.961 -3.414) 6.870 6.806 ( -0.000 -5.961 3.414) 6.870 7.546 ( 0.000 3.752 -2.915) 4.751 7.546 ( 0.000 3.752 2.915) 4.751 8.233 ( -0.000 -1.065 -4.373) 4.501 8.233 ( -0.000 -1.065 4.373) 4.501 ======================= Grid point 707 (204/228) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 3.462 -0.000 -3.529) 4.944 1.806 ( 3.462 -0.000 3.529) 4.944 2.394 ( 4.429 -0.000 -2.265) 4.975 2.394 ( 4.429 -0.000 2.265) 4.975 3.558 ( -2.391 0.000 -5.906) 6.371 3.558 ( -2.391 0.000 5.906) 6.371 3.871 ( 4.641 -0.000 -5.142) 6.927 3.871 ( 4.641 -0.000 5.142) 6.927 4.168 ( 1.884 -0.000 -1.402) 2.348 4.168 ( 1.884 -0.000 1.402) 2.348 4.989 ( -0.095 0.000 -3.090) 3.092 4.989 ( -0.095 0.000 3.090) 3.092 5.288 ( -2.927 0.000 -0.440) 2.960 5.288 ( -2.927 0.000 0.440) 2.960 6.124 ( 0.747 -0.000 -2.567) 2.674 6.124 ( 0.747 -0.000 2.567) 2.674 6.518 ( 2.681 -0.000 -1.877) 3.273 6.518 ( 2.681 -0.000 1.877) 3.273 7.166 ( 3.670 -0.000 -8.944) 9.667 7.166 ( 3.670 -0.000 8.944) 9.667 7.502 ( -5.013 0.000 -1.286) 5.175 7.502 ( -5.013 0.000 1.286) 5.175 7.648 ( -2.079 0.000 -5.543) 5.920 7.648 ( -2.079 0.000 5.543) 5.920 ======================= Grid point 709 (205/228) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -2.044 -0.024 -0.609) 2.133 1.818 ( -2.044 -0.024 0.609) 2.133 2.435 ( -0.368 -0.010 -0.130) 0.390 2.435 ( -0.368 -0.010 0.130) 0.390 3.531 ( 0.029 0.012 -0.826) 0.827 3.531 ( 0.029 0.012 0.826) 0.827 3.917 ( -0.398 0.001 -0.220) 0.454 3.917 ( -0.398 0.001 0.220) 0.454 4.180 ( -0.200 -0.002 -0.169) 0.262 4.180 ( -0.200 -0.002 0.169) 0.262 5.001 ( 1.161 -0.003 -0.248) 1.187 5.001 ( 1.161 -0.003 0.248) 1.187 5.261 ( 0.047 0.004 -0.487) 0.490 5.261 ( 0.047 0.004 0.487) 0.490 6.137 ( 0.598 -0.021 -0.948) 1.121 6.137 ( 0.598 -0.021 0.948) 1.121 6.541 ( -0.306 0.077 -0.061) 0.322 6.541 ( -0.306 0.077 0.061) 0.322 7.230 ( 1.641 -0.187 -3.512) 3.882 7.230 ( 1.641 -0.187 3.512) 3.882 7.408 ( -3.176 0.128 -5.721) 6.545 7.408 ( -3.176 0.128 5.721) 6.545 7.633 ( 0.255 0.009 -2.702) 2.714 7.633 ( 0.255 0.009 2.702) 2.714 ======================= Grid point 711 (206/228) ======================= q-point: (-0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -6.132 -0.649 -5.038) 7.963 1.739 ( -6.132 -0.649 5.038) 7.963 2.383 ( -4.764 -0.103 -2.255) 5.271 2.383 ( -4.764 -0.103 2.255) 5.271 3.560 ( 2.572 0.029 -7.208) 7.654 3.560 ( 2.572 0.029 7.208) 7.654 3.854 ( -5.634 -0.164 -4.900) 7.468 3.854 ( -5.634 -0.164 4.900) 7.468 4.162 ( -1.931 -0.050 -1.180) 2.264 4.162 ( -1.931 -0.050 1.180) 2.264 5.027 ( 1.419 0.334 -2.921) 3.264 5.027 ( 1.419 0.334 2.921) 3.264 5.289 ( 2.837 0.008 -0.453) 2.873 5.289 ( 2.837 0.008 0.453) 2.873 6.149 ( 0.849 0.198 -0.594) 1.054 6.149 ( 0.849 0.198 0.594) 1.054 6.506 ( -3.333 0.029 -1.973) 3.874 6.506 ( -3.333 0.029 1.973) 3.874 7.200 ( -3.263 0.117 -5.913) 6.754 7.200 ( -3.263 0.117 5.913) 6.754 7.408 ( 1.221 -0.747 -6.832) 6.980 7.408 ( 1.221 -0.747 6.832) 6.980 7.661 ( 2.921 0.110 -9.167) 9.622 7.661 ( 2.921 0.110 9.167) 9.622 ======================= Grid point 713 (207/228) ======================= q-point: (-0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -8.098 -1.243 -9.298) 12.393 1.606 ( -8.098 -1.243 9.298) 12.393 2.269 ( -6.851 -0.104 -7.183) 9.927 2.269 ( -6.851 -0.104 7.183) 9.927 3.562 ( -5.799 -0.135 -6.009) 8.352 3.562 ( -5.799 -0.135 6.009) 8.352 3.765 ( -0.843 -0.253 -12.408) 12.439 3.765 ( -0.843 -0.253 12.408) 12.439 4.105 ( -3.674 -0.034 -3.534) 5.098 4.105 ( -3.674 -0.034 3.534) 5.098 5.042 ( 0.153 0.516 -5.925) 5.949 5.042 ( 0.153 0.516 5.925) 5.949 5.364 ( 4.913 -0.061 -0.292) 4.922 5.364 ( 4.913 -0.061 0.292) 4.922 6.171 ( 1.751 0.833 -2.002) 2.787 6.171 ( 1.751 0.834 2.002) 2.787 6.418 ( -5.766 -0.176 -3.647) 6.825 6.418 ( -5.766 -0.176 3.647) 6.825 7.156 ( -0.646 0.551 -9.385) 9.424 7.156 ( -0.646 0.551 9.385) 9.424 7.412 ( -1.853 -2.120 -8.723) 9.166 7.412 ( -1.853 -2.120 8.723) 9.166 7.741 ( 5.323 0.228 -12.292) 13.397 7.741 ( 5.323 0.228 12.292) 13.397 ======================= Grid point 715 (208/228) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -8.922 -1.113 -12.371) 15.293 1.450 ( -8.922 -1.113 12.371) 15.293 2.134 ( -7.178 0.161 -13.573) 15.355 2.134 ( -7.178 0.161 13.573) 15.355 3.332 ( -16.672 -0.645 -6.878) 18.047 3.332 ( -16.672 -0.645 6.878) 18.047 3.811 ( 3.055 0.162 -10.964) 11.383 3.811 ( 3.055 0.162 10.964) 11.383 4.055 ( -0.506 0.051 -7.945) 7.961 4.055 ( -0.506 0.051 7.945) 7.961 5.016 ( -2.907 0.018 -8.557) 9.037 5.016 ( -2.907 0.018 8.557) 9.037 5.471 ( 5.982 -0.220 -0.916) 6.055 5.471 ( 5.982 -0.220 0.916) 6.055 6.203 ( 2.126 1.852 -4.115) 4.988 6.203 ( 2.126 1.852 4.115) 4.988 6.298 ( -6.572 -0.471 -3.836) 7.624 6.298 ( -6.572 -0.471 3.836) 7.624 7.164 ( 1.023 1.393 -11.537) 11.666 7.164 ( 1.023 1.393 11.537) 11.666 7.372 ( -3.291 -3.939 -6.142) 8.004 7.372 ( -3.291 -3.939 6.142) 8.004 7.851 ( 6.108 0.200 -11.560) 13.076 7.851 ( 6.108 0.200 11.560) 13.076 ======================= Grid point 717 (209/228) ======================= q-point: (-0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -9.309 -0.219 -13.885) 16.719 1.279 ( -9.309 -0.219 13.885) 16.719 1.992 ( -7.668 0.630 -18.859) 20.368 1.992 ( -7.668 0.630 18.859) 20.368 2.976 ( -20.087 -0.739 -10.550) 22.701 2.976 ( -20.087 -0.739 10.550) 22.701 3.838 ( 0.163 -0.018 -2.499) 2.505 3.838 ( 0.163 -0.018 2.499) 2.505 4.111 ( 6.190 0.435 -13.598) 14.947 4.111 ( 6.190 0.435 13.598) 14.947 4.931 ( -6.121 -0.966 -9.848) 11.635 4.931 ( -6.121 -0.966 9.848) 11.635 5.580 ( 4.703 -0.358 -0.890) 4.800 5.580 ( 4.703 -0.358 0.890) 4.800 6.165 ( -5.385 0.388 -4.232) 6.860 6.165 ( -5.385 0.388 4.232) 6.860 6.244 ( 1.619 1.637 -4.326) 4.901 6.244 ( 1.619 1.637 4.326) 4.901 7.114 ( -6.812 -1.214 -10.647) 12.698 7.114 ( -6.812 -1.214 10.647) 12.698 7.389 ( 3.623 -2.063 -3.347) 5.347 7.389 ( 3.623 -2.063 3.347) 5.347 7.969 ( 6.289 0.006 -9.801) 11.645 7.969 ( 6.289 0.006 9.801) 11.645 ======================= Grid point 719 (210/228) ======================= q-point: (-0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -8.361 0.950 -14.851) 17.070 1.105 ( -8.361 0.950 14.851) 17.070 1.817 ( -10.747 1.014 -20.469) 23.142 1.817 ( -10.747 1.014 20.469) 23.142 2.621 ( -16.162 -0.613 -17.053) 23.503 2.621 ( -16.162 -0.613 17.053) 23.503 3.839 ( 0.100 -0.470 -0.957) 1.071 3.839 ( 0.100 -0.470 0.957) 1.071 4.257 ( 8.690 0.740 -10.884) 13.947 4.257 ( 8.690 0.740 10.884) 13.947 4.809 ( -6.854 -2.056 -7.807) 10.591 4.809 ( -6.854 -2.056 7.807) 10.591 5.626 ( -0.801 -0.547 -2.152) 2.360 5.626 ( -0.801 -0.547 2.152) 2.360 6.085 ( -2.141 0.278 -1.377) 2.561 6.085 ( -2.141 0.278 1.377) 2.561 6.266 ( 1.631 2.130 -6.581) 7.106 6.266 ( 1.631 2.130 6.581) 7.106 6.952 ( -10.883 -4.542 -5.767) 13.128 6.952 ( -10.883 -4.542 5.767) 13.128 7.492 ( 5.887 1.113 -3.157) 6.772 7.492 ( 5.887 1.113 3.157) 6.772 8.086 ( 5.690 -0.336 -7.891) 9.734 8.086 ( 5.690 -0.336 7.891) 9.734 ======================= Grid point 721 (211/228) ======================= q-point: (-0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -4.662 1.771 -16.809) 17.533 0.968 ( -4.662 1.771 16.809) 17.533 1.581 ( -11.803 1.084 -20.004) 23.252 1.581 ( -11.803 1.084 20.004) 23.252 2.402 ( -6.980 -0.325 -24.773) 25.740 2.402 ( -6.980 -0.325 24.773) 25.740 3.849 ( 0.409 -0.732 -1.652) 1.852 3.849 ( 0.409 -0.732 1.652) 1.852 4.393 ( 4.603 0.605 -1.760) 4.965 4.393 ( 4.603 0.605 1.760) 4.965 4.735 ( -1.236 -3.169 -2.860) 4.444 4.735 ( -1.236 -3.169 2.860) 4.444 5.561 ( -5.311 -0.803 -4.286) 6.872 5.561 ( -5.311 -0.803 4.286) 6.872 6.078 ( 0.926 0.415 -4.046) 4.171 6.078 ( 0.926 0.415 4.046) 4.171 6.279 ( 0.929 2.166 -7.305) 7.676 6.279 ( 0.929 2.166 7.305) 7.676 6.788 ( -8.458 -5.890 -1.921) 10.484 6.788 ( -8.458 -5.890 1.921) 10.484 7.575 ( 3.696 3.070 -3.801) 6.126 7.575 ( 3.696 3.070 3.801) 6.126 8.180 ( 3.586 -0.727 -6.153) 7.159 8.180 ( 3.586 -0.727 6.153) 7.159 ======================= Grid point 723 (212/228) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 1.839 -19.064) 19.152 0.914 ( 0.000 1.839 19.064) 19.152 1.443 ( 0.000 1.019 -21.104) 21.128 1.443 ( 0.000 1.019 21.104) 21.128 2.341 ( -0.000 -0.089 -27.876) 27.876 2.341 ( -0.000 -0.089 27.876) 27.876 3.858 ( -0.000 -0.732 -1.689) 1.841 3.858 ( -0.000 -0.732 1.689) 1.841 4.423 ( 0.000 0.165 -9.913) 9.914 4.423 ( 0.000 0.165 9.913) 9.914 4.768 ( -0.000 -3.694 -9.802) 10.475 4.768 ( -0.000 -3.694 9.802) 10.475 5.499 ( -0.000 -0.801 -4.186) 4.262 5.499 ( -0.000 -0.801 4.186) 4.262 6.089 ( 0.000 0.411 -3.951) 3.972 6.089 ( 0.000 0.411 3.951) 3.972 6.275 ( 0.000 2.171 -7.185) 7.506 6.275 ( 0.000 2.171 7.185) 7.506 6.735 ( -0.000 -6.206 -1.031) 6.291 6.735 ( -0.000 -6.206 1.031) 6.291 7.591 ( 0.000 3.870 -3.805) 5.427 7.591 ( 0.000 3.870 3.805) 5.427 8.221 ( -0.000 -0.984 -5.158) 5.251 8.221 ( -0.000 -0.984 5.158) 5.251 ======================= Grid point 737 (213/228) ======================= q-point: (-0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -6.273 0.000 -5.124) 8.100 1.735 ( -6.273 0.000 5.124) 8.100 2.383 ( -4.774 0.000 -2.250) 5.278 2.383 ( -4.774 0.000 2.250) 5.278 3.560 ( 2.578 -0.000 -7.270) 7.713 3.560 ( 2.578 -0.000 7.270) 7.713 3.854 ( -5.694 0.000 -4.892) 7.507 3.854 ( -5.694 0.000 4.892) 7.507 4.162 ( -1.934 0.000 -1.164) 2.258 4.162 ( -1.934 0.000 1.164) 2.258 5.029 ( 1.489 -0.000 -2.897) 3.257 5.029 ( 1.489 -0.000 2.897) 3.257 5.289 ( 2.831 -0.000 -0.474) 2.870 5.289 ( 2.831 -0.000 0.474) 2.870 6.150 ( 0.941 -0.000 -0.448) 1.042 6.150 ( 0.941 -0.000 0.448) 1.042 6.506 ( -3.371 0.000 -1.980) 3.910 6.506 ( -3.371 0.000 1.980) 3.910 7.201 ( -3.183 0.000 -5.574) 6.418 7.201 ( -3.183 0.000 5.574) 6.418 7.403 ( 0.979 -0.000 -7.103) 7.170 7.403 ( 0.979 -0.000 7.103) 7.170 7.661 ( 2.951 -0.000 -9.279) 9.737 7.661 ( 2.951 -0.000 9.279) 9.737 ======================= Grid point 741 (214/228) ======================= q-point: (-0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -8.082 -0.449 -9.510) 12.489 1.596 ( -8.082 -0.449 9.510) 12.489 2.269 ( -6.789 -0.036 -7.202) 9.898 2.269 ( -6.789 -0.036 7.202) 9.898 3.561 ( -6.042 -0.050 -6.037) 8.541 3.561 ( -6.042 -0.050 6.037) 8.541 3.763 ( -0.639 -0.090 -12.493) 12.510 3.763 ( -0.639 -0.090 12.493) 12.510 4.105 ( -3.650 -0.014 -3.519) 5.070 4.105 ( -3.650 -0.014 3.519) 5.070 5.046 ( 0.038 0.183 -5.914) 5.917 5.046 ( 0.038 0.183 5.914) 5.917 5.364 ( 4.867 -0.022 -0.109) 4.868 5.364 ( 4.867 -0.022 0.109) 4.868 6.177 ( 2.015 0.296 -1.725) 2.669 6.177 ( 2.015 0.296 1.725) 2.669 6.416 ( -5.843 -0.047 -3.729) 6.932 6.416 ( -5.843 -0.047 3.729) 6.932 7.161 ( -0.398 0.200 -8.908) 8.919 7.161 ( -0.398 0.200 8.908) 8.919 7.395 ( -2.341 -0.769 -8.657) 9.001 7.395 ( -2.341 -0.769 8.657) 9.001 7.743 ( 5.320 0.082 -12.242) 13.348 7.743 ( 5.320 0.082 12.242) 13.348 ======================= Grid point 743 (215/228) ======================= q-point: (-0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -8.561 -0.627 -12.564) 15.217 1.440 ( -8.561 -0.627 12.564) 15.217 2.136 ( -6.994 0.097 -13.603) 15.296 2.136 ( -6.994 0.097 13.603) 15.296 3.326 ( -16.754 -0.366 -6.931) 18.135 3.326 ( -16.754 -0.366 6.931) 18.135 3.812 ( 3.150 0.103 -10.935) 11.380 3.812 ( 3.150 0.103 10.935) 11.380 4.055 ( -0.443 0.010 -8.074) 8.086 4.055 ( -0.443 0.010 8.074) 8.086 5.016 ( -3.302 0.004 -8.518) 9.136 5.016 ( -3.302 0.004 8.518) 9.136 5.469 ( 5.918 -0.126 -0.668) 5.956 5.469 ( 5.918 -0.126 0.668) 5.956 6.219 ( 2.508 1.021 -3.645) 4.541 6.219 ( 2.508 1.021 3.645) 4.541 6.294 ( -6.714 -0.233 -4.111) 7.876 6.294 ( -6.714 -0.233 4.111) 7.876 7.179 ( 1.380 1.142 -11.744) 11.880 7.179 ( 1.380 1.142 11.744) 11.880 7.334 ( -3.855 -2.565 -4.372) 6.368 7.334 ( -3.855 -2.565 4.372) 6.368 7.852 ( 6.052 0.124 -11.418) 12.923 7.852 ( 6.052 0.124 11.418) 12.923 ======================= Grid point 745 (216/228) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -8.693 -0.145 -13.742) 16.262 1.277 ( -8.693 -0.145 13.742) 16.262 1.999 ( -7.438 0.462 -18.838) 20.258 1.999 ( -7.438 0.462 18.838) 20.258 2.969 ( -20.051 -0.546 -10.456) 22.620 2.969 ( -20.051 -0.546 10.456) 22.620 3.838 ( -0.038 0.036 -2.524) 2.524 3.838 ( -0.038 0.036 2.524) 2.524 4.115 ( 6.388 0.255 -13.824) 15.230 4.115 ( 6.388 0.255 13.824) 15.230 4.921 ( -6.600 -0.657 -9.748) 11.790 4.921 ( -6.600 -0.657 9.748) 11.790 5.577 ( 4.638 -0.273 -0.606) 4.685 5.577 ( 4.638 -0.273 0.606) 4.685 6.167 ( -5.748 0.032 -3.664) 6.816 6.167 ( -5.748 0.032 3.664) 6.816 6.262 ( 2.098 1.346 -4.778) 5.389 6.262 ( 2.098 1.346 4.778) 5.389 7.101 ( -9.057 -0.988 -9.759) 13.351 7.101 ( -9.057 -0.988 9.759) 13.351 7.370 ( 5.846 -1.226 -2.054) 6.317 7.370 ( 5.846 -1.226 2.054) 6.317 7.969 ( 6.180 0.055 -9.696) 11.498 7.969 ( 6.180 0.055 9.696) 11.498 ======================= Grid point 747 (217/228) ======================= q-point: (-0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -7.712 0.854 -14.098) 16.092 1.115 ( -7.712 0.854 14.098) 16.092 1.828 ( -10.623 0.866 -20.292) 22.921 1.828 ( -10.623 0.866 20.292) 22.921 2.614 ( -16.093 -0.604 -16.795) 23.268 2.614 ( -16.093 -0.604 16.795) 23.268 3.835 ( -0.086 -0.305 -0.770) 0.833 3.835 ( -0.086 -0.305 0.770) 0.833 4.264 ( 8.714 0.536 -11.060) 14.090 4.264 ( 8.714 0.536 11.060) 14.090 4.788 ( -7.334 -1.546 -7.618) 10.687 4.788 ( -7.334 -1.546 7.618) 10.687 5.620 ( -0.961 -0.502 -2.148) 2.406 5.620 ( -0.961 -0.502 2.148) 2.406 6.088 ( -2.036 0.171 -1.161) 2.350 6.088 ( -2.036 0.171 1.161) 2.350 6.288 ( 1.567 1.671 -6.728) 7.107 6.288 ( 1.567 1.671 6.728) 7.107 6.906 ( -11.765 -3.428 -3.914) 12.864 6.906 ( -11.765 -3.428 3.914) 12.864 7.504 ( 7.116 0.876 -2.857) 7.717 7.504 ( 7.116 0.876 2.857) 7.717 8.083 ( 5.550 -0.146 -7.993) 9.733 8.083 ( 5.550 -0.146 7.993) 9.733 ======================= Grid point 749 (218/228) ======================= q-point: (-0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -4.228 1.885 -15.492) 16.169 0.989 ( -4.228 1.885 15.492) 16.169 1.593 ( -11.839 1.016 -19.645) 22.960 1.593 ( -11.839 1.016 19.645) 22.960 2.397 ( -6.884 -0.503 -24.445) 25.401 2.397 ( -6.884 -0.503 24.445) 25.401 3.841 ( 0.320 -0.637 -1.490) 1.652 3.841 ( 0.320 -0.637 1.490) 1.652 4.400 ( 4.349 0.529 -1.607) 4.667 4.400 ( 4.349 0.529 1.607) 4.667 4.702 ( -1.594 -2.540 -3.387) 4.523 4.702 ( -1.594 -2.540 3.387) 4.523 5.552 ( -5.381 -0.758 -4.221) 6.881 5.552 ( -5.381 -0.758 4.221) 6.881 6.083 ( 0.955 0.368 -4.009) 4.138 6.083 ( 0.955 0.368 4.009) 4.138 6.302 ( 0.864 1.796 -7.452) 7.714 6.302 ( 0.864 1.796 7.452) 7.714 6.727 ( -8.475 -4.630 -0.872) 9.696 6.727 ( -8.475 -4.630 0.872) 9.696 7.607 ( 4.319 2.435 -4.101) 6.434 7.607 ( 4.319 2.435 4.101) 6.434 8.174 ( 3.475 -0.429 -6.592) 7.464 8.174 ( 3.475 -0.429 6.592) 7.464 ======================= Grid point 751 (219/228) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 2.292 -17.607) 17.755 0.938 ( 0.000 2.292 17.607) 17.755 1.455 ( 0.000 1.013 -20.739) 20.764 1.455 ( 0.000 1.013 20.739) 20.764 2.338 ( -0.000 -0.346 -27.488) 27.490 2.338 ( -0.000 -0.346 27.488) 27.490 3.849 ( -0.000 -0.779 -1.561) 1.745 3.849 ( -0.000 -0.779 1.561) 1.745 4.425 ( 0.000 0.168 -9.969) 9.970 4.425 ( 0.000 0.168 9.969) 9.970 4.728 ( -0.000 -3.135 -11.245) 11.674 4.728 ( -0.000 -3.135 11.245) 11.674 5.490 ( -0.000 -0.793 -4.278) 4.351 5.490 ( -0.000 -0.793 4.278) 4.351 6.094 ( 0.000 0.400 -4.100) 4.119 6.094 ( 0.000 0.400 4.100) 4.119 6.299 ( 0.000 1.970 -7.306) 7.567 6.299 ( 0.000 1.970 7.306) 7.567 6.668 ( -0.000 -5.229 -1.882) 5.558 6.668 ( -0.000 -5.229 1.882) 5.558 7.632 ( 0.000 3.302 -4.405) 5.505 7.632 ( 0.000 3.302 4.405) 5.505 8.211 ( -0.000 -0.674 -5.827) 5.866 8.211 ( -0.000 -0.674 5.827) 5.866 ======================= Grid point 769 (220/228) ======================= q-point: (-0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -8.430 0.000 -12.633) 15.188 1.436 ( -8.430 0.000 12.633) 15.188 2.136 ( -6.927 0.000 -13.614) 15.275 2.136 ( -6.927 0.000 13.614) 15.275 3.324 ( -16.784 0.000 -6.951) 18.167 3.324 ( -16.784 0.000 6.951) 18.167 3.813 ( 3.188 -0.000 -10.929) 11.385 3.813 ( 3.188 -0.000 10.929) 11.385 4.055 ( -0.423 0.000 -8.123) 8.134 4.055 ( -0.423 0.000 8.123) 8.134 5.016 ( -3.442 0.000 -8.504) 9.174 5.016 ( -3.442 0.000 8.504) 9.174 5.468 ( 5.894 -0.000 -0.556) 5.920 5.468 ( 5.894 -0.000 0.556) 5.920 6.225 ( 2.647 -0.000 -3.446) 4.346 6.225 ( 2.647 -0.000 3.446) 4.346 6.293 ( -6.774 0.000 -4.246) 7.994 6.293 ( -6.774 0.000 4.246) 7.994 7.186 ( 1.683 -0.000 -11.950) 12.068 7.186 ( 1.683 -0.000 11.950) 12.068 7.318 ( -4.226 0.000 -2.970) 5.165 7.318 ( -4.226 0.000 2.970) 5.165 7.853 ( 6.034 -0.000 -11.369) 12.872 7.853 ( 6.034 -0.000 11.369) 12.872 ======================= Grid point 773 (221/228) ======================= q-point: (-0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -8.339 -0.050 -13.652) 15.997 1.276 ( -8.339 -0.050 13.652) 15.997 2.003 ( -7.306 0.170 -18.826) 20.195 2.003 ( -7.306 0.170 18.826) 20.195 2.964 ( -20.043 -0.202 -10.411) 22.586 2.964 ( -20.043 -0.202 10.411) 22.586 3.839 ( -0.146 0.022 -2.561) 2.565 3.839 ( -0.146 0.022 2.561) 2.565 4.117 ( 6.497 0.083 -13.969) 15.406 4.117 ( 6.497 0.083 13.969) 15.406 4.916 ( -6.854 -0.233 -9.693) 11.874 4.916 ( -6.854 -0.233 9.693) 11.874 5.574 ( 4.595 -0.102 -0.364) 4.610 5.574 ( 4.595 -0.102 0.364) 4.610 6.167 ( -5.784 -0.022 -3.456) 6.738 6.167 ( -5.784 -0.022 3.456) 6.738 6.273 ( 2.179 0.509 -4.946) 5.429 6.273 ( 2.179 0.509 4.946) 5.429 7.093 ( -10.277 -0.381 -9.198) 13.798 7.093 ( -10.277 -0.381 9.198) 13.798 7.361 ( 7.081 -0.398 -1.226) 7.198 7.361 ( 7.081 -0.398 1.226) 7.198 7.970 ( 6.127 0.028 -9.634) 11.417 7.970 ( 6.127 0.028 9.634) 11.417 ======================= Grid point 775 (222/228) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -7.216 0.509 -13.534) 15.346 1.123 ( -7.216 0.509 13.534) 15.346 1.836 ( -10.533 0.504 -20.170) 22.760 1.836 ( -10.533 0.504 20.170) 22.760 2.608 ( -16.075 -0.381 -16.644) 23.142 2.608 ( -16.075 -0.381 16.644) 23.142 3.832 ( -0.226 -0.144 -0.550) 0.611 3.832 ( -0.226 -0.144 0.550) 0.611 4.269 ( 8.741 0.278 -11.192) 14.204 4.269 ( 8.741 0.278 11.192) 14.204 4.774 ( -7.623 -0.822 -7.518) 10.738 4.774 ( -7.623 -0.822 7.518) 10.738 5.615 ( -1.072 -0.300 -2.158) 2.428 5.615 ( -1.072 -0.300 2.158) 2.428 6.089 ( -1.924 0.075 -0.891) 2.121 6.089 ( -1.924 0.075 0.891) 2.121 6.303 ( 1.468 0.912 -6.834) 7.049 6.303 ( 1.468 0.912 6.834) 7.049 6.875 ( -12.221 -1.820 -2.741) 12.656 6.875 ( -12.221 -1.820 2.741) 12.656 7.512 ( 7.856 0.481 -2.656) 8.307 7.512 ( 7.856 0.481 2.656) 8.307 8.082 ( 5.471 -0.041 -8.034) 9.720 8.082 ( 5.471 -0.041 8.034) 9.720 ======================= Grid point 777 (223/228) ======================= q-point: (-0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -3.795 1.462 -14.335) 14.901 1.009 ( -3.795 1.462 14.335) 14.901 1.603 ( -11.894 0.730 -19.343) 22.719 1.603 ( -11.894 0.730 19.343) 22.719 2.392 ( -6.830 -0.471 -24.237) 25.185 2.392 ( -6.830 -0.471 24.237) 25.185 3.835 ( 0.210 -0.426 -1.286) 1.371 3.835 ( 0.210 -0.426 1.286) 1.371 4.405 ( 4.169 0.357 -1.350) 4.397 4.405 ( 4.169 0.357 1.350) 4.397 4.678 ( -1.787 -1.601 -3.681) 4.394 4.678 ( -1.787 -1.601 3.681) 4.394 5.544 ( -5.404 -0.540 -4.212) 6.873 5.544 ( -5.404 -0.540 4.212) 6.873 6.087 ( 0.982 0.250 -3.963) 4.091 6.087 ( 0.982 0.250 3.963) 4.091 6.319 ( 0.786 1.155 -7.623) 7.750 6.319 ( 0.786 1.155 7.623) 7.750 6.683 ( -8.399 -2.886 -1.855) 9.073 6.683 ( -8.399 -2.886 1.855) 9.073 7.630 ( 4.745 1.551 -4.248) 6.555 7.630 ( 4.745 1.551 4.248) 6.555 8.170 ( 3.408 -0.192 -6.869) 7.670 8.170 ( 3.408 -0.192 6.869) 7.670 ======================= Grid point 779 (224/228) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 2.162 -16.172) 16.315 0.965 ( 0.000 2.162 16.172) 16.315 1.466 ( 0.000 0.808 -20.416) 20.432 1.466 ( 0.000 0.808 20.416) 20.432 2.333 ( -0.000 -0.470 -27.205) 27.209 2.333 ( -0.000 -0.470 27.205) 27.209 3.841 ( -0.000 -0.646 -1.405) 1.546 3.841 ( -0.000 -0.646 1.405) 1.546 4.427 ( 0.000 0.136 -10.021) 10.022 4.427 ( 0.000 0.136 10.021) 10.022 4.697 ( -0.000 -2.161 -12.122) 12.313 4.697 ( -0.000 -2.161 12.122) 12.313 5.481 ( -0.000 -0.631 -4.359) 4.405 5.481 ( -0.000 -0.631 4.359) 4.405 6.098 ( 0.000 0.314 -4.222) 4.234 6.098 ( 0.000 0.314 4.222) 4.234 6.319 ( 0.000 1.437 -7.510) 7.646 6.319 ( 0.000 1.437 7.510) 7.646 6.617 ( -0.000 -3.637 -3.244) 4.874 6.617 ( -0.000 -3.637 3.244) 4.874 7.665 ( 0.000 2.362 -4.746) 5.301 7.665 ( 0.000 2.362 4.746) 5.301 8.206 ( -0.000 -0.356 -6.305) 6.315 8.206 ( -0.000 -0.356 6.305) 6.315 ======================= Grid point 801 (225/228) ======================= q-point: (-0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -7.030 0.000 -13.324) 15.065 1.126 ( -7.030 0.000 13.324) 15.065 1.839 ( -10.500 0.000 -20.127) 22.701 1.839 ( -10.500 0.000 20.127) 22.701 2.606 ( -16.075 0.000 -16.596) 23.105 2.606 ( -16.075 0.000 16.596) 23.105 3.832 ( -0.277 0.000 -0.432) 0.513 3.832 ( -0.277 0.000 0.432) 0.513 4.271 ( 8.753 -0.000 -11.241) 14.247 4.271 ( 8.753 -0.000 11.241) 14.247 4.770 ( -7.718 0.000 -7.488) 10.753 4.770 ( -7.718 0.000 7.488) 10.753 5.614 ( -1.111 0.000 -2.165) 2.433 5.614 ( -1.111 0.000 2.165) 2.433 6.090 ( -1.877 0.000 -0.754) 2.023 6.090 ( -1.877 0.000 0.754) 2.023 6.309 ( 1.422 -0.000 -6.874) 7.019 6.309 ( 1.422 -0.000 6.874) 7.019 6.865 ( -12.358 0.000 -2.332) 12.576 6.865 ( -12.358 0.000 2.332) 12.576 7.514 ( 8.103 -0.000 -2.586) 8.505 7.514 ( 8.103 -0.000 2.586) 8.505 8.082 ( 5.445 -0.000 -8.044) 9.714 8.082 ( 5.445 -0.000 8.044) 9.714 ======================= Grid point 805 (226/228) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.523 0.553 -13.653) 14.111 1.021 ( -3.523 0.553 13.653) 14.111 1.609 ( -11.937 0.267 -19.170) 22.584 1.609 ( -11.937 0.267 19.170) 22.584 2.388 ( -6.808 -0.194 -24.145) 25.088 2.388 ( -6.808 -0.194 24.145) 25.088 3.831 ( 0.136 -0.149 -1.128) 1.146 3.831 ( 0.136 -0.149 1.128) 1.146 4.408 ( 4.077 0.126 -1.120) 4.230 4.408 ( 4.077 0.126 1.120) 4.230 4.666 ( -1.862 -0.542 -3.802) 4.268 4.666 ( -1.862 -0.542 3.802) 4.268 5.540 ( -5.405 -0.196 -4.221) 6.861 5.540 ( -5.405 -0.196 4.221) 6.861 6.088 ( 1.000 0.088 -3.931) 4.057 6.088 ( 1.000 0.088 3.931) 4.057 6.328 ( 0.731 0.394 -7.741) 7.785 6.328 ( 0.731 0.394 7.741) 7.785 6.661 ( -8.330 -0.972 -2.442) 8.735 6.661 ( -8.330 -0.972 2.442) 8.735 7.642 ( 4.957 0.532 -4.307) 6.588 7.642 ( 4.957 0.532 4.307) 6.588 8.169 ( 3.378 -0.050 -7.002) 7.774 8.169 ( 3.378 -0.050 7.002) 7.774 ======================= Grid point 807 (227/228) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 1.324 -15.114) 15.171 0.985 ( 0.000 1.324 15.114) 15.171 1.473 ( 0.000 0.447 -20.195) 20.200 1.473 ( 0.000 0.447 20.195) 20.200 2.328 ( -0.000 -0.338 -27.050) 27.052 2.328 ( -0.000 -0.338 27.050) 27.052 3.835 ( -0.000 -0.363 -1.251) 1.302 3.835 ( -0.000 -0.363 1.251) 1.302 4.428 ( 0.000 0.076 -10.058) 10.058 4.428 ( 0.000 0.076 10.058) 10.058 4.679 ( -0.000 -1.078 -12.546) 12.592 4.679 ( -0.000 -1.078 12.546) 12.592 5.475 ( -0.000 -0.349 -4.416) 4.430 5.475 ( -0.000 -0.349 4.416) 4.430 6.101 ( 0.000 0.171 -4.301) 4.305 6.101 ( 0.000 0.171 4.301) 4.305 6.332 ( 0.000 0.738 -7.719) 7.754 6.332 ( 0.000 0.738 7.719) 7.754 6.586 ( -0.000 -1.830 -4.045) 4.440 6.586 ( -0.000 -1.830 4.045) 4.440 7.686 ( 0.000 1.225 -4.913) 5.063 7.686 ( 0.000 1.225 4.913) 5.063 8.203 ( -0.000 -0.136 -6.586) 6.587 8.203 ( -0.000 -0.136 6.586) 6.587 ======================= Grid point 835 (228/228) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 0.000 -14.723) 14.723 0.993 ( 0.000 0.000 14.723) 14.723 1.476 ( 0.000 0.000 -20.116) 20.116 1.476 ( 0.000 0.000 20.116) 20.116 2.326 ( 0.000 0.000 -27.004) 27.004 2.326 ( 0.000 0.000 27.004) 27.004 3.833 ( 0.000 0.000 -1.182) 1.182 3.833 ( 0.000 0.000 1.182) 1.182 4.429 ( 0.000 0.000 -10.071) 10.071 4.429 ( 0.000 0.000 10.071) 10.071 4.672 ( 0.000 0.000 -12.666) 12.666 4.672 ( 0.000 0.000 12.666) 12.666 5.473 ( 0.000 0.000 -4.436) 4.436 5.473 ( -0.000 -0.000 4.436) 4.436 6.102 ( 0.000 0.000 -4.328) 4.328 6.102 ( 0.000 0.000 4.328) 4.328 6.336 ( 0.000 0.000 -7.810) 7.810 6.336 ( 0.000 0.000 7.810) 7.810 6.575 ( 0.000 0.000 -4.307) 4.307 6.575 ( 0.000 0.000 4.307) 4.307 7.693 ( 0.000 0.000 -4.962) 4.962 7.693 ( 0.000 0.000 4.962) 4.962 8.202 ( 0.000 0.000 -6.678) 6.678 8.202 ( 0.000 0.000 6.678) 6.678 =================== 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 3/28224 10.0 162.203 24.890 123.689 0.000 0.000 0.000 3/28224 20.0 133.145 9.546 86.357 0.000 0.000 0.000 3/28224 30.0 94.184 5.689 56.007 0.000 0.000 -0.000 3/28224 40.0 65.444 3.929 37.478 0.000 0.000 -0.000 3/28224 50.0 47.368 2.959 26.721 0.000 0.000 -0.000 3/28224 60.0 36.102 2.365 20.282 0.000 0.000 0.000 3/28224 70.0 28.797 1.971 16.201 0.000 0.000 0.000 3/28224 80.0 23.821 1.693 13.456 0.000 0.000 0.000 3/28224 90.0 20.270 1.486 11.510 0.000 0.000 0.000 3/28224 100.0 17.633 1.327 10.067 0.000 0.000 0.000 3/28224 110.0 15.606 1.200 8.957 0.000 0.000 0.000 3/28224 120.0 14.004 1.096 8.078 0.000 0.000 0.000 3/28224 130.0 12.707 1.009 7.363 0.000 0.000 0.000 3/28224 140.0 11.636 0.936 6.770 0.000 0.000 0.000 3/28224 150.0 10.736 0.873 6.269 0.000 0.000 0.000 3/28224 160.0 9.970 0.818 5.841 0.000 0.000 0.000 3/28224 170.0 9.309 0.770 5.470 0.000 0.000 0.000 3/28224 180.0 8.733 0.727 5.145 0.000 0.000 0.000 3/28224 190.0 8.226 0.689 4.857 0.000 0.000 0.000 3/28224 200.0 7.777 0.654 4.601 0.000 0.000 0.000 3/28224 210.0 7.375 0.623 4.372 0.000 0.000 0.000 3/28224 220.0 7.014 0.595 4.165 0.000 0.000 0.000 3/28224 230.0 6.688 0.569 3.977 0.000 0.000 0.000 3/28224 240.0 6.391 0.546 3.806 0.000 0.000 0.000 3/28224 250.0 6.120 0.524 3.649 0.000 0.000 0.000 3/28224 260.0 5.872 0.504 3.505 0.000 0.000 0.000 3/28224 270.0 5.644 0.486 3.372 0.000 0.000 0.000 3/28224 280.0 5.433 0.468 3.249 0.000 0.000 0.000 3/28224 290.0 5.237 0.452 3.135 0.000 0.000 0.000 3/28224 300.0 5.056 0.437 3.029 0.000 0.000 0.000 3/28224 310.0 4.886 0.423 2.930 0.000 0.000 0.000 3/28224 320.0 4.728 0.410 2.837 0.000 0.000 0.000 3/28224 330.0 4.580 0.398 2.750 0.000 0.000 0.000 3/28224 340.0 4.441 0.386 2.668 0.000 0.000 0.000 3/28224 350.0 4.311 0.375 2.591 0.000 0.000 0.000 3/28224 360.0 4.188 0.365 2.518 0.000 0.000 0.000 3/28224 370.0 4.072 0.355 2.450 0.000 0.000 0.000 3/28224 380.0 3.962 0.346 2.385 0.000 0.000 0.000 3/28224 390.0 3.858 0.337 2.323 0.000 0.000 0.000 3/28224 400.0 3.760 0.329 2.264 0.000 0.000 0.000 3/28224 410.0 3.666 0.321 2.209 0.000 0.000 0.000 3/28224 420.0 3.577 0.313 2.156 0.000 0.000 0.000 3/28224 430.0 3.492 0.306 2.106 0.000 0.000 0.000 3/28224 440.0 3.412 0.299 2.058 0.000 0.000 0.000 3/28224 450.0 3.335 0.292 2.012 0.000 0.000 0.000 3/28224 460.0 3.261 0.286 1.968 0.000 0.000 0.000 3/28224 470.0 3.191 0.280 1.926 0.000 0.000 0.000 3/28224 480.0 3.123 0.274 1.886 0.000 0.000 0.000 3/28224 490.0 3.059 0.269 1.847 0.000 0.000 0.000 3/28224 500.0 2.997 0.263 1.810 0.000 0.000 0.000 3/28224 510.0 2.937 0.258 1.774 0.000 0.000 0.000 3/28224 520.0 2.880 0.253 1.740 0.000 0.000 0.000 3/28224 530.0 2.825 0.249 1.707 0.000 0.000 0.000 3/28224 540.0 2.772 0.244 1.676 0.000 0.000 0.000 3/28224 550.0 2.721 0.240 1.645 0.000 0.000 0.000 3/28224 560.0 2.672 0.235 1.616 0.000 0.000 0.000 3/28224 570.0 2.625 0.231 1.587 0.000 0.000 0.000 3/28224 580.0 2.579 0.227 1.560 0.000 0.000 0.000 3/28224 590.0 2.535 0.223 1.533 0.000 0.000 0.000 3/28224 600.0 2.492 0.220 1.508 0.000 0.000 0.000 3/28224 610.0 2.451 0.216 1.483 0.000 0.000 0.000 3/28224 620.0 2.411 0.213 1.459 0.000 0.000 0.000 3/28224 630.0 2.373 0.209 1.436 0.000 0.000 0.000 3/28224 640.0 2.336 0.206 1.414 0.000 0.000 0.000 3/28224 650.0 2.299 0.203 1.392 0.000 0.000 0.000 3/28224 660.0 2.264 0.200 1.371 0.000 0.000 0.000 3/28224 670.0 2.230 0.197 1.350 0.000 0.000 0.000 3/28224 680.0 2.197 0.194 1.331 0.000 0.000 0.000 3/28224 690.0 2.165 0.191 1.311 0.000 0.000 0.000 3/28224 700.0 2.134 0.189 1.293 0.000 0.000 0.000 3/28224 710.0 2.104 0.186 1.274 0.000 0.000 0.000 3/28224 720.0 2.075 0.183 1.257 0.000 0.000 0.000 3/28224 730.0 2.046 0.181 1.239 0.000 0.000 0.000 3/28224 740.0 2.018 0.178 1.223 0.000 0.000 0.000 3/28224 750.0 1.991 0.176 1.206 0.000 0.000 0.000 3/28224 760.0 1.965 0.174 1.191 0.000 0.000 0.000 3/28224 770.0 1.939 0.171 1.175 0.000 0.000 0.000 3/28224 780.0 1.914 0.169 1.160 0.000 0.000 0.000 3/28224 790.0 1.890 0.167 1.145 0.000 0.000 0.000 3/28224 800.0 1.866 0.165 1.131 0.000 0.000 0.000 3/28224 810.0 1.843 0.163 1.117 0.000 0.000 0.000 3/28224 820.0 1.821 0.161 1.104 0.000 0.000 0.000 3/28224 830.0 1.799 0.159 1.090 0.000 0.000 0.000 3/28224 840.0 1.777 0.157 1.077 0.000 0.000 0.000 3/28224 850.0 1.756 0.155 1.065 0.000 0.000 0.000 3/28224 860.0 1.736 0.154 1.052 0.000 0.000 0.000 3/28224 870.0 1.716 0.152 1.040 0.000 0.000 0.000 3/28224 880.0 1.696 0.150 1.028 0.000 0.000 0.000 3/28224 890.0 1.677 0.148 1.017 0.000 0.000 0.000 3/28224 900.0 1.658 0.147 1.006 0.000 0.000 0.000 3/28224 910.0 1.640 0.145 0.995 0.000 0.000 0.000 3/28224 920.0 1.622 0.144 0.984 0.000 0.000 0.000 3/28224 930.0 1.605 0.142 0.973 0.000 0.000 0.000 3/28224 940.0 1.587 0.141 0.963 0.000 0.000 0.000 3/28224 950.0 1.571 0.139 0.953 0.000 0.000 0.000 3/28224 960.0 1.554 0.138 0.943 0.000 0.000 0.000 3/28224 970.0 1.538 0.136 0.933 0.000 0.000 0.000 3/28224 980.0 1.523 0.135 0.924 0.000 0.000 0.000 3/28224 990.0 1.507 0.133 0.914 0.000 0.000 0.000 3/28224 1000.0 1.492 0.132 0.905 0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:12:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|