----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:46:19]------------------------- 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: [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.728409469999999 1.829335080000000 6.274169099999999 b 1.728409469999999 -1.829335080000000 6.274169099999999 c 1.728409469999999 1.829335080000000 -6.274169099999999 Atomic positions (fractional): *1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 *2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 *4 O 0.82449303006811 0.82449303006811 0.00000000000000 15.999 5 O 0.17550696993189 0.17550696993189 0.00000000000000 15.999 *6 Nd 0.36413601608330 0.36413601608330 0.00000000000000 144.242 7 Nd 0.63586398391670 0.63586398391670 0.00000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.456818939999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.658670160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.548338199999998 Atomic positions (fractional): *1 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 *3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *5 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 3 *6 O 0.50000000000000 0.50000000000000 0.32449303006811 15.999 > 4 7 O 0.00000000000000 0.00000000000000 0.17550696993189 15.999 > 5 8 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 3 9 O 0.00000000000000 0.00000000000000 0.82449303006811 15.999 > 4 10 O 0.50000000000000 0.50000000000000 0.67550696993189 15.999 > 5 *11 Nd 0.00000000000000 0.00000000000000 0.36413601608330 144.242 > 6 12 Nd 0.50000000000000 0.50000000000000 0.13586398391670 144.242 > 7 13 Nd 0.50000000000000 0.50000000000000 0.86413601608330 144.242 > 6 14 Nd 0.00000000000000 0.00000000000000 0.63586398391670 144.242 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.370456819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.976010479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.548338199999998 Atomic positions (fractional): *1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 *19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 2 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 2 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 2 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 2 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 2 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 2 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 2 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 2 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 2 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 2 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 2 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 2 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 2 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 2 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 2 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 2 *37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 3 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 3 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 3 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 3 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 3 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 3 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 3 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 3 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 3 *46 O 0.16666666666667 0.16666666666667 0.32449303006811 15.999 > 4 47 O 0.50000000000000 0.16666666666667 0.32449303006811 15.999 > 4 48 O 0.83333333333333 0.16666666666667 0.32449303006811 15.999 > 4 49 O 0.16666666666667 0.50000000000000 0.32449303006811 15.999 > 4 50 O 0.50000000000000 0.50000000000000 0.32449303006811 15.999 > 4 51 O 0.83333333333333 0.50000000000000 0.32449303006811 15.999 > 4 52 O 0.16666666666667 0.83333333333333 0.32449303006811 15.999 > 4 53 O 0.50000000000000 0.83333333333333 0.32449303006811 15.999 > 4 54 O 0.83333333333333 0.83333333333333 0.32449303006811 15.999 > 4 55 O 0.00000000000000 0.00000000000000 0.17550696993189 15.999 > 5 56 O 0.33333333333333 0.00000000000000 0.17550696993189 15.999 > 5 57 O 0.66666666666667 0.00000000000000 0.17550696993189 15.999 > 5 58 O 0.00000000000000 0.33333333333333 0.17550696993189 15.999 > 5 59 O 0.33333333333333 0.33333333333333 0.17550696993189 15.999 > 5 60 O 0.66666666666667 0.33333333333333 0.17550696993189 15.999 > 5 61 O 0.00000000000000 0.66666666666667 0.17550696993189 15.999 > 5 62 O 0.33333333333333 0.66666666666667 0.17550696993189 15.999 > 5 63 O 0.66666666666667 0.66666666666667 0.17550696993189 15.999 > 5 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 3 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 3 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 3 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 3 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 3 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 3 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 3 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 3 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 3 73 O 0.00000000000000 0.00000000000000 0.82449303006811 15.999 > 4 74 O 0.33333333333333 0.00000000000000 0.82449303006811 15.999 > 4 75 O 0.66666666666667 0.00000000000000 0.82449303006811 15.999 > 4 76 O 0.00000000000000 0.33333333333333 0.82449303006811 15.999 > 4 77 O 0.33333333333333 0.33333333333333 0.82449303006811 15.999 > 4 78 O 0.66666666666667 0.33333333333333 0.82449303006811 15.999 > 4 79 O 0.00000000000000 0.66666666666667 0.82449303006811 15.999 > 4 80 O 0.33333333333333 0.66666666666667 0.82449303006811 15.999 > 4 81 O 0.66666666666667 0.66666666666667 0.82449303006811 15.999 > 4 82 O 0.16666666666667 0.16666666666667 0.67550696993189 15.999 > 5 83 O 0.50000000000000 0.16666666666667 0.67550696993189 15.999 > 5 84 O 0.83333333333333 0.16666666666667 0.67550696993189 15.999 > 5 85 O 0.16666666666667 0.50000000000000 0.67550696993189 15.999 > 5 86 O 0.50000000000000 0.50000000000000 0.67550696993189 15.999 > 5 87 O 0.83333333333333 0.50000000000000 0.67550696993189 15.999 > 5 88 O 0.16666666666667 0.83333333333333 0.67550696993189 15.999 > 5 89 O 0.50000000000000 0.83333333333333 0.67550696993189 15.999 > 5 90 O 0.83333333333333 0.83333333333333 0.67550696993189 15.999 > 5 *91 Nd 0.00000000000000 0.00000000000000 0.36413601608330 144.242 > 6 92 Nd 0.33333333333333 0.00000000000000 0.36413601608330 144.242 > 6 93 Nd 0.66666666666667 0.00000000000000 0.36413601608330 144.242 > 6 94 Nd 0.00000000000000 0.33333333333333 0.36413601608330 144.242 > 6 95 Nd 0.33333333333333 0.33333333333333 0.36413601608330 144.242 > 6 96 Nd 0.66666666666667 0.33333333333333 0.36413601608330 144.242 > 6 97 Nd 0.00000000000000 0.66666666666667 0.36413601608330 144.242 > 6 98 Nd 0.33333333333333 0.66666666666667 0.36413601608330 144.242 > 6 99 Nd 0.66666666666667 0.66666666666667 0.36413601608330 144.242 > 6 100 Nd 0.16666666666667 0.16666666666667 0.13586398391670 144.242 > 7 101 Nd 0.50000000000000 0.16666666666667 0.13586398391670 144.242 > 7 102 Nd 0.83333333333333 0.16666666666667 0.13586398391670 144.242 > 7 103 Nd 0.16666666666667 0.50000000000000 0.13586398391670 144.242 > 7 104 Nd 0.50000000000000 0.50000000000000 0.13586398391670 144.242 > 7 105 Nd 0.83333333333333 0.50000000000000 0.13586398391670 144.242 > 7 106 Nd 0.16666666666667 0.83333333333333 0.13586398391670 144.242 > 7 107 Nd 0.50000000000000 0.83333333333333 0.13586398391670 144.242 > 7 108 Nd 0.83333333333333 0.83333333333333 0.13586398391670 144.242 > 7 109 Nd 0.16666666666667 0.16666666666667 0.86413601608330 144.242 > 6 110 Nd 0.50000000000000 0.16666666666667 0.86413601608330 144.242 > 6 111 Nd 0.83333333333333 0.16666666666667 0.86413601608330 144.242 > 6 112 Nd 0.16666666666667 0.50000000000000 0.86413601608330 144.242 > 6 113 Nd 0.50000000000000 0.50000000000000 0.86413601608330 144.242 > 6 114 Nd 0.83333333333333 0.50000000000000 0.86413601608330 144.242 > 6 115 Nd 0.16666666666667 0.83333333333333 0.86413601608330 144.242 > 6 116 Nd 0.50000000000000 0.83333333333333 0.86413601608330 144.242 > 6 117 Nd 0.83333333333333 0.83333333333333 0.86413601608330 144.242 > 6 118 Nd 0.00000000000000 0.00000000000000 0.63586398391670 144.242 > 7 119 Nd 0.33333333333333 0.00000000000000 0.63586398391670 144.242 > 7 120 Nd 0.66666666666667 0.00000000000000 0.63586398391670 144.242 > 7 121 Nd 0.00000000000000 0.33333333333333 0.63586398391670 144.242 > 7 122 Nd 0.33333333333333 0.33333333333333 0.63586398391670 144.242 > 7 123 Nd 0.66666666666667 0.33333333333333 0.63586398391670 144.242 > 7 124 Nd 0.00000000000000 0.66666666666667 0.63586398391670 144.242 > 7 125 Nd 0.33333333333333 0.66666666666667 0.63586398391670 144.242 > 7 126 Nd 0.66666666666667 0.66666666666667 0.63586398391670 144.242 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3691189 0.0000000 0.0000000 0.0000000 5.2545375 0.0000000 0.0000000 0.0000000 5.8490985 -------------------------- Born effective charges -------------------------- 1 H -0.5167196 0.0000000 0.0000000 0.0000000 -0.9953786 0.0000000 0.0000000 0.0000000 -1.0943383 2 Li 0.8748118 0.0000000 0.0000000 0.0000000 0.7929005 0.0000000 0.0000000 0.0000000 0.9224601 3 O -2.9859184 0.0000000 0.0000000 0.0000000 -1.9299377 0.0000000 0.0000000 0.0000000 -2.6478477 4 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 5 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 6 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 7 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 ---------------------------------------------------------------------------- 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: 378/378 Permutation basis: 4818/4818 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 650 Number of blocks in projector: 668 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (650, 635), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (80, 80), data: True |-- (80, 80), data: True |-- (144, 139), data: True |-- (144, 139), data: True |-- (144, 139), data: True ----- Solver_atoms: 1 -- 126 / 126 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.625 Solver_block: 160 / 160 - Time: 0.462 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.111 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 378/378 Permutation basis: 4818/4818 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 650 Number of blocks in projector: 668 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (650, 635), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (80, 80), data: True |-- (80, 80), data: True |-- (144, 139), data: True |-- (144, 139), data: True |-- (144, 139), 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 05:46:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:46:30]------------------------- 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.728409469999999 1.829335080000000 6.274169099999999 b 1.728409469999999 -1.829335080000000 6.274169099999999 c 1.728409469999999 1.829335080000000 -6.274169099999999 Atomic positions (fractional): 1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 4 O 0.82449303006811 0.82449303006811 0.00000000000000 15.999 5 O 0.17550696993189 0.17550696993189 0.00000000000000 15.999 6 Nd 0.36413601608330 0.36413601608330 0.00000000000000 144.242 7 Nd 0.63586398391670 0.63586398391670 0.00000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.370456819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.976010479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.548338199999998 Atomic positions (fractional): 1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 19 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 19 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 19 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 19 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 19 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 19 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 19 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 19 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 19 37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 37 46 O 0.16666666666667 0.16666666666667 0.32449303006811 15.999 > 46 47 O 0.50000000000000 0.16666666666667 0.32449303006811 15.999 > 46 48 O 0.83333333333333 0.16666666666667 0.32449303006811 15.999 > 46 49 O 0.16666666666667 0.50000000000000 0.32449303006811 15.999 > 46 50 O 0.50000000000000 0.50000000000000 0.32449303006811 15.999 > 46 51 O 0.83333333333333 0.50000000000000 0.32449303006811 15.999 > 46 52 O 0.16666666666667 0.83333333333333 0.32449303006811 15.999 > 46 53 O 0.50000000000000 0.83333333333333 0.32449303006811 15.999 > 46 54 O 0.83333333333333 0.83333333333333 0.32449303006811 15.999 > 46 55 O 0.00000000000000 0.00000000000000 0.17550696993189 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.17550696993189 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.17550696993189 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.17550696993189 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.17550696993189 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.17550696993189 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.17550696993189 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.17550696993189 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.17550696993189 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 37 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 37 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 37 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 37 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 37 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 37 73 O 0.00000000000000 0.00000000000000 0.82449303006811 15.999 > 46 74 O 0.33333333333333 0.00000000000000 0.82449303006811 15.999 > 46 75 O 0.66666666666667 0.00000000000000 0.82449303006811 15.999 > 46 76 O 0.00000000000000 0.33333333333333 0.82449303006811 15.999 > 46 77 O 0.33333333333333 0.33333333333333 0.82449303006811 15.999 > 46 78 O 0.66666666666667 0.33333333333333 0.82449303006811 15.999 > 46 79 O 0.00000000000000 0.66666666666667 0.82449303006811 15.999 > 46 80 O 0.33333333333333 0.66666666666667 0.82449303006811 15.999 > 46 81 O 0.66666666666667 0.66666666666667 0.82449303006811 15.999 > 46 82 O 0.16666666666667 0.16666666666667 0.67550696993189 15.999 > 55 83 O 0.50000000000000 0.16666666666667 0.67550696993189 15.999 > 55 84 O 0.83333333333333 0.16666666666667 0.67550696993189 15.999 > 55 85 O 0.16666666666667 0.50000000000000 0.67550696993189 15.999 > 55 86 O 0.50000000000000 0.50000000000000 0.67550696993189 15.999 > 55 87 O 0.83333333333333 0.50000000000000 0.67550696993189 15.999 > 55 88 O 0.16666666666667 0.83333333333333 0.67550696993189 15.999 > 55 89 O 0.50000000000000 0.83333333333333 0.67550696993189 15.999 > 55 90 O 0.83333333333333 0.83333333333333 0.67550696993189 15.999 > 55 91 Nd 0.00000000000000 0.00000000000000 0.36413601608330 144.242 > 91 92 Nd 0.33333333333333 0.00000000000000 0.36413601608330 144.242 > 91 93 Nd 0.66666666666667 0.00000000000000 0.36413601608330 144.242 > 91 94 Nd 0.00000000000000 0.33333333333333 0.36413601608330 144.242 > 91 95 Nd 0.33333333333333 0.33333333333333 0.36413601608330 144.242 > 91 96 Nd 0.66666666666667 0.33333333333333 0.36413601608330 144.242 > 91 97 Nd 0.00000000000000 0.66666666666667 0.36413601608330 144.242 > 91 98 Nd 0.33333333333333 0.66666666666667 0.36413601608330 144.242 > 91 99 Nd 0.66666666666667 0.66666666666667 0.36413601608330 144.242 > 91 100 Nd 0.16666666666667 0.16666666666667 0.13586398391670 144.242 > 100 101 Nd 0.50000000000000 0.16666666666667 0.13586398391670 144.242 > 100 102 Nd 0.83333333333333 0.16666666666667 0.13586398391670 144.242 > 100 103 Nd 0.16666666666667 0.50000000000000 0.13586398391670 144.242 > 100 104 Nd 0.50000000000000 0.50000000000000 0.13586398391670 144.242 > 100 105 Nd 0.83333333333333 0.50000000000000 0.13586398391670 144.242 > 100 106 Nd 0.16666666666667 0.83333333333333 0.13586398391670 144.242 > 100 107 Nd 0.50000000000000 0.83333333333333 0.13586398391670 144.242 > 100 108 Nd 0.83333333333333 0.83333333333333 0.13586398391670 144.242 > 100 109 Nd 0.16666666666667 0.16666666666667 0.86413601608330 144.242 > 91 110 Nd 0.50000000000000 0.16666666666667 0.86413601608330 144.242 > 91 111 Nd 0.83333333333333 0.16666666666667 0.86413601608330 144.242 > 91 112 Nd 0.16666666666667 0.50000000000000 0.86413601608330 144.242 > 91 113 Nd 0.50000000000000 0.50000000000000 0.86413601608330 144.242 > 91 114 Nd 0.83333333333333 0.50000000000000 0.86413601608330 144.242 > 91 115 Nd 0.16666666666667 0.83333333333333 0.86413601608330 144.242 > 91 116 Nd 0.50000000000000 0.83333333333333 0.86413601608330 144.242 > 91 117 Nd 0.83333333333333 0.83333333333333 0.86413601608330 144.242 > 91 118 Nd 0.00000000000000 0.00000000000000 0.63586398391670 144.242 > 100 119 Nd 0.33333333333333 0.00000000000000 0.63586398391670 144.242 > 100 120 Nd 0.66666666666667 0.00000000000000 0.63586398391670 144.242 > 100 121 Nd 0.00000000000000 0.33333333333333 0.63586398391670 144.242 > 100 122 Nd 0.33333333333333 0.33333333333333 0.63586398391670 144.242 > 100 123 Nd 0.66666666666667 0.33333333333333 0.63586398391670 144.242 > 100 124 Nd 0.00000000000000 0.66666666666667 0.63586398391670 144.242 > 100 125 Nd 0.33333333333333 0.66666666666667 0.63586398391670 144.242 > 100 126 Nd 0.66666666666667 0.66666666666667 0.63586398391670 144.242 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3691189 0.0000000 0.0000000 0.0000000 5.2545375 0.0000000 0.0000000 0.0000000 5.8490985 -------------------------- Born effective charges -------------------------- 1 H -0.5167196 0.0000000 0.0000000 0.0000000 -0.9953786 0.0000000 0.0000000 0.0000000 -1.0943383 2 Li 0.8748118 0.0000000 0.0000000 0.0000000 0.7929005 0.0000000 0.0000000 0.0000000 0.9224601 3 O -2.9859184 0.0000000 0.0000000 0.0000000 -1.9299377 0.0000000 0.0000000 0.0000000 -2.6478477 4 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 5 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 6 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 7 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 ---------------------------------------------------------------------------- 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[ 19, 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[ 37, 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[ 46, 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[ 91, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 05:46:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:46:43]------------------------- 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.728409469999999 1.829335080000000 6.274169099999999 b 1.728409469999999 -1.829335080000000 6.274169099999999 c 1.728409469999999 1.829335080000000 -6.274169099999999 Atomic positions (fractional): 1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 4 O 0.82449303006811 0.82449303006811 0.00000000000000 15.999 5 O 0.17550696993189 0.17550696993189 0.00000000000000 15.999 6 Nd 0.36413601608330 0.36413601608330 0.00000000000000 144.242 7 Nd 0.63586398391670 0.63586398391670 0.00000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.370456819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.976010479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.548338199999998 Atomic positions (fractional): 1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 19 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 19 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 19 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 19 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 19 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 19 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 19 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 19 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 19 37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 37 46 O 0.16666666666667 0.16666666666667 0.32449303006811 15.999 > 46 47 O 0.50000000000000 0.16666666666667 0.32449303006811 15.999 > 46 48 O 0.83333333333333 0.16666666666667 0.32449303006811 15.999 > 46 49 O 0.16666666666667 0.50000000000000 0.32449303006811 15.999 > 46 50 O 0.50000000000000 0.50000000000000 0.32449303006811 15.999 > 46 51 O 0.83333333333333 0.50000000000000 0.32449303006811 15.999 > 46 52 O 0.16666666666667 0.83333333333333 0.32449303006811 15.999 > 46 53 O 0.50000000000000 0.83333333333333 0.32449303006811 15.999 > 46 54 O 0.83333333333333 0.83333333333333 0.32449303006811 15.999 > 46 55 O 0.00000000000000 0.00000000000000 0.17550696993189 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.17550696993189 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.17550696993189 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.17550696993189 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.17550696993189 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.17550696993189 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.17550696993189 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.17550696993189 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.17550696993189 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 37 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 37 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 37 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 37 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 37 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 37 73 O 0.00000000000000 0.00000000000000 0.82449303006811 15.999 > 46 74 O 0.33333333333333 0.00000000000000 0.82449303006811 15.999 > 46 75 O 0.66666666666667 0.00000000000000 0.82449303006811 15.999 > 46 76 O 0.00000000000000 0.33333333333333 0.82449303006811 15.999 > 46 77 O 0.33333333333333 0.33333333333333 0.82449303006811 15.999 > 46 78 O 0.66666666666667 0.33333333333333 0.82449303006811 15.999 > 46 79 O 0.00000000000000 0.66666666666667 0.82449303006811 15.999 > 46 80 O 0.33333333333333 0.66666666666667 0.82449303006811 15.999 > 46 81 O 0.66666666666667 0.66666666666667 0.82449303006811 15.999 > 46 82 O 0.16666666666667 0.16666666666667 0.67550696993189 15.999 > 55 83 O 0.50000000000000 0.16666666666667 0.67550696993189 15.999 > 55 84 O 0.83333333333333 0.16666666666667 0.67550696993189 15.999 > 55 85 O 0.16666666666667 0.50000000000000 0.67550696993189 15.999 > 55 86 O 0.50000000000000 0.50000000000000 0.67550696993189 15.999 > 55 87 O 0.83333333333333 0.50000000000000 0.67550696993189 15.999 > 55 88 O 0.16666666666667 0.83333333333333 0.67550696993189 15.999 > 55 89 O 0.50000000000000 0.83333333333333 0.67550696993189 15.999 > 55 90 O 0.83333333333333 0.83333333333333 0.67550696993189 15.999 > 55 91 Nd 0.00000000000000 0.00000000000000 0.36413601608330 144.242 > 91 92 Nd 0.33333333333333 0.00000000000000 0.36413601608330 144.242 > 91 93 Nd 0.66666666666667 0.00000000000000 0.36413601608330 144.242 > 91 94 Nd 0.00000000000000 0.33333333333333 0.36413601608330 144.242 > 91 95 Nd 0.33333333333333 0.33333333333333 0.36413601608330 144.242 > 91 96 Nd 0.66666666666667 0.33333333333333 0.36413601608330 144.242 > 91 97 Nd 0.00000000000000 0.66666666666667 0.36413601608330 144.242 > 91 98 Nd 0.33333333333333 0.66666666666667 0.36413601608330 144.242 > 91 99 Nd 0.66666666666667 0.66666666666667 0.36413601608330 144.242 > 91 100 Nd 0.16666666666667 0.16666666666667 0.13586398391670 144.242 > 100 101 Nd 0.50000000000000 0.16666666666667 0.13586398391670 144.242 > 100 102 Nd 0.83333333333333 0.16666666666667 0.13586398391670 144.242 > 100 103 Nd 0.16666666666667 0.50000000000000 0.13586398391670 144.242 > 100 104 Nd 0.50000000000000 0.50000000000000 0.13586398391670 144.242 > 100 105 Nd 0.83333333333333 0.50000000000000 0.13586398391670 144.242 > 100 106 Nd 0.16666666666667 0.83333333333333 0.13586398391670 144.242 > 100 107 Nd 0.50000000000000 0.83333333333333 0.13586398391670 144.242 > 100 108 Nd 0.83333333333333 0.83333333333333 0.13586398391670 144.242 > 100 109 Nd 0.16666666666667 0.16666666666667 0.86413601608330 144.242 > 91 110 Nd 0.50000000000000 0.16666666666667 0.86413601608330 144.242 > 91 111 Nd 0.83333333333333 0.16666666666667 0.86413601608330 144.242 > 91 112 Nd 0.16666666666667 0.50000000000000 0.86413601608330 144.242 > 91 113 Nd 0.50000000000000 0.50000000000000 0.86413601608330 144.242 > 91 114 Nd 0.83333333333333 0.50000000000000 0.86413601608330 144.242 > 91 115 Nd 0.16666666666667 0.83333333333333 0.86413601608330 144.242 > 91 116 Nd 0.50000000000000 0.83333333333333 0.86413601608330 144.242 > 91 117 Nd 0.83333333333333 0.83333333333333 0.86413601608330 144.242 > 91 118 Nd 0.00000000000000 0.00000000000000 0.63586398391670 144.242 > 100 119 Nd 0.33333333333333 0.00000000000000 0.63586398391670 144.242 > 100 120 Nd 0.66666666666667 0.00000000000000 0.63586398391670 144.242 > 100 121 Nd 0.00000000000000 0.33333333333333 0.63586398391670 144.242 > 100 122 Nd 0.33333333333333 0.33333333333333 0.63586398391670 144.242 > 100 123 Nd 0.66666666666667 0.33333333333333 0.63586398391670 144.242 > 100 124 Nd 0.00000000000000 0.66666666666667 0.63586398391670 144.242 > 100 125 Nd 0.33333333333333 0.66666666666667 0.63586398391670 144.242 > 100 126 Nd 0.66666666666667 0.66666666666667 0.63586398391670 144.242 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3691189 0.0000000 0.0000000 0.0000000 5.2545375 0.0000000 0.0000000 0.0000000 5.8490985 -------------------------- Born effective charges -------------------------- 1 H -0.5167196 0.0000000 0.0000000 0.0000000 -0.9953786 0.0000000 0.0000000 0.0000000 -1.0943383 2 Li 0.8748118 0.0000000 0.0000000 0.0000000 0.7929005 0.0000000 0.0000000 0.0000000 0.9224601 3 O -2.9859184 0.0000000 0.0000000 0.0000000 -1.9299377 0.0000000 0.0000000 0.0000000 -2.6478477 4 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 5 O -2.5751050 0.0000000 0.0000000 0.0000000 -2.5689375 0.0000000 0.0000000 0.0000000 -2.8466002 6 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 7 Nd 3.8890182 0.0000000 0.0000000 0.0000000 3.6351454 0.0000000 0.0000000 0.0000000 4.2564631 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... Generalized regular grid: [ 2 14 56 ] Grid generation matrix: [ 0 14 14 ] [ 14 0 14 ] [ 4 4 0 ] 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: 0.97, Number of G-points: 317, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/290) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 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 3.088 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.044 ( 0.000 0.000 0.000) 0.000 14.506 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 24.389 ( 0.000 0.000 0.000) 0.000 29.069 ( 0.000 0.000 0.000) 0.000 43.940 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/290) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.000 0.000 -0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.556 ( -0.000 -0.000 -0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 -0.000) 0.000 10.260 ( 0.000 0.000 -0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 12.026 ( 0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 14.070 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 -0.000) 0.000 17.153 ( 0.000 0.000 0.000) 0.000 20.791 ( 0.000 0.000 0.000) 0.000 21.640 ( 0.000 0.000 0.000) 0.000 31.108 ( 0.000 0.000 0.000) 0.000 44.154 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/290) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 17.883 -3.327 -2.632) 18.379 3.101 ( 3.074 -5.691 9.434) 11.438 3.281 ( 7.868 -0.870 8.060) 11.297 3.613 ( 0.456 -5.510 -17.647) 18.493 5.396 ( -4.237 -8.755 -12.671) 15.974 5.536 ( -3.626 4.935 15.430) 16.601 7.131 ( -14.288 -4.856 12.303) 19.470 7.930 ( -2.565 -5.534 -4.263) 7.441 8.146 ( 3.570 -11.806 -5.913) 13.678 8.415 ( 7.118 0.482 4.870) 8.638 10.191 ( 2.915 -9.714 8.758) 13.400 11.445 ( 0.847 10.660 -8.221) 13.489 11.730 ( -19.965 -5.284 -2.136) 20.763 12.962 ( 1.867 -0.109 -3.264) 3.762 14.288 ( 17.357 3.364 0.232) 17.682 14.885 ( -12.006 -11.232 -4.468) 17.037 16.643 ( -5.036 -40.783 -0.931) 41.103 21.124 ( -0.306 29.448 -0.172) 29.450 21.835 ( 0.534 18.105 0.028) 18.113 31.005 ( -5.456 -4.605 2.646) 7.614 44.123 ( -1.912 -0.817 0.039) 2.080 ======================= Grid point 4 (4/290) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 20.938 26.780 -0.000) 33.994 1.090 ( 25.622 28.059 -0.000) 37.997 1.660 ( 42.925 34.426 -0.000) 55.025 3.081 ( -2.041 0.946 0.000) 2.250 3.447 ( 7.295 0.151 -0.000) 7.297 6.100 ( 17.379 -9.528 -0.000) 19.819 6.814 ( -6.916 -5.044 0.000) 8.560 7.035 ( 0.991 5.545 0.000) 5.633 8.014 ( 5.638 3.522 -0.000) 6.647 8.793 ( 2.916 -15.646 -0.000) 15.915 9.443 ( 3.986 15.339 0.000) 15.848 9.516 ( -34.955 51.949 0.000) 62.614 10.239 ( 9.350 19.753 0.000) 21.854 12.568 ( 15.697 -5.707 -0.000) 16.703 13.031 ( -0.444 0.005 0.000) 0.444 13.090 ( 1.286 6.658 0.000) 6.781 15.960 ( 68.164 -71.042 -0.000) 98.455 23.399 ( -21.291 14.641 0.000) 25.839 24.199 ( -7.153 -11.301 -0.000) 13.374 29.889 ( -36.887 44.907 0.000) 58.114 44.126 ( 7.036 -7.207 -0.000) 10.072 ======================= Grid point 5 (5/290) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 19.730 23.279 -0.000) 30.515 2.134 ( 21.965 27.805 -0.000) 35.434 3.043 ( 35.475 23.052 -0.000) 42.307 3.059 ( -1.906 2.237 0.000) 2.939 3.667 ( 11.285 1.661 -0.000) 11.407 6.255 ( 4.554 -2.547 -0.000) 5.218 6.525 ( -6.218 -6.450 0.000) 8.959 7.214 ( 2.249 8.587 0.000) 8.876 8.218 ( 5.959 2.369 -0.000) 6.412 8.604 ( 7.275 -12.206 -0.000) 14.209 9.789 ( -15.683 28.277 0.000) 32.335 9.877 ( 7.998 15.956 0.000) 17.848 10.938 ( 13.446 19.495 0.000) 23.683 12.840 ( 6.019 11.618 0.000) 13.085 13.085 ( 7.868 -1.714 -0.000) 8.053 13.278 ( 0.006 9.888 0.000) 9.888 15.999 ( 35.635 -34.286 -0.000) 49.450 23.157 ( -10.082 -6.434 0.000) 11.960 23.699 ( -10.959 -19.178 -0.000) 22.088 30.037 ( -15.718 25.104 0.000) 29.619 44.120 ( 1.637 -2.897 -0.000) 3.328 ======================= Grid point 6 (6/290) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 5.720 -15.385 18.029) 24.382 3.115 ( 23.003 -4.522 -4.494) 23.870 3.522 ( 4.204 -6.818 -21.718) 23.148 3.580 ( 15.764 2.145 3.349) 16.258 5.017 ( -6.679 -16.125 -10.467) 20.351 5.554 ( -7.193 7.479 13.161) 16.760 6.610 ( -17.339 -13.254 19.489) 29.260 7.739 ( -1.592 -8.556 -1.482) 8.828 7.989 ( 0.292 -4.329 -7.135) 8.351 8.627 ( 15.660 -4.441 0.394) 16.282 10.013 ( 1.309 -13.145 16.902) 21.452 11.146 ( -22.507 -5.914 -5.178) 23.840 11.684 ( -0.630 11.616 -18.294) 21.680 12.995 ( 1.343 1.930 -1.082) 2.588 14.249 ( -18.384 -17.526 -5.137) 25.914 14.858 ( 25.777 0.084 1.340) 25.812 15.644 ( -2.220 -43.337 -3.880) 43.567 21.737 ( -2.796 33.456 0.171) 33.573 22.289 ( -2.615 28.261 -1.917) 28.447 30.718 ( -8.998 -8.840 4.560) 13.412 44.060 ( -2.767 -0.233 0.166) 2.781 ======================= Grid point 7 (7/290) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 10.581 -15.422 15.884) 24.537 3.303 ( 5.562 -6.616 -16.192) 18.355 3.609 ( 16.653 -12.560 -6.797) 21.938 3.922 ( 13.768 -0.708 1.949) 13.923 4.658 ( 4.310 -11.063 -11.971) 16.861 5.514 ( -9.705 6.266 12.920) 17.332 6.127 ( -5.687 -3.387 17.704) 18.901 7.580 ( 2.530 -7.502 1.150) 8.001 8.025 ( 3.853 2.706 -7.726) 9.048 8.859 ( 15.431 -5.712 -2.746) 16.682 9.744 ( -1.557 -11.885 19.273) 22.696 10.701 ( -10.592 -2.893 -4.140) 11.734 11.835 ( -2.427 7.504 -24.117) 25.374 13.142 ( 4.692 5.731 1.451) 7.547 13.489 ( -18.938 -18.392 0.786) 26.411 14.474 ( -1.446 -41.000 -5.141) 41.347 15.843 ( 29.465 11.346 -0.940) 31.588 22.253 ( -4.552 26.747 0.547) 27.137 22.747 ( -8.816 29.143 -4.811) 30.825 30.322 ( -8.493 -12.086 4.653) 15.488 44.013 ( -2.909 1.530 0.404) 3.311 ======================= Grid point 8 (8/290) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 14.528 15.047 -0.000) 20.916 3.037 ( 12.985 26.114 0.000) 29.164 3.148 ( 2.561 8.187 0.000) 8.578 3.938 ( 11.146 1.647 -0.000) 11.267 4.012 ( 28.922 8.595 -0.000) 30.172 5.994 ( -12.599 -8.569 0.000) 15.237 6.501 ( 4.830 -0.852 -0.000) 4.905 7.413 ( 1.863 5.705 0.000) 6.002 8.229 ( 0.904 -6.895 -0.000) 6.954 8.722 ( 13.974 -0.623 -0.000) 13.988 9.932 ( -11.776 14.488 0.000) 18.670 10.368 ( 8.296 16.383 0.000) 18.364 11.283 ( 3.936 -3.787 -0.000) 5.461 13.180 ( 6.544 -7.622 -0.000) 10.046 13.405 ( 0.671 39.338 0.000) 39.344 13.430 ( -3.510 8.365 0.000) 9.071 16.133 ( 29.619 -19.852 -0.000) 35.657 22.734 ( -6.558 -18.936 -0.000) 20.039 23.064 ( -10.227 -21.713 -0.000) 24.001 30.183 ( -10.005 16.212 0.000) 19.050 44.068 ( -1.802 -2.525 -0.000) 3.102 ======================= Grid point 9 (9/290) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 7.330 6.656 -0.000) 9.901 3.498 ( 7.111 13.293 0.000) 15.075 3.632 ( 0.035 20.385 0.000) 20.385 4.186 ( 10.157 1.428 -0.000) 10.257 4.620 ( 25.470 -2.616 -0.000) 25.604 5.541 ( -13.836 -9.080 0.000) 16.549 6.600 ( 4.706 1.560 -0.000) 4.958 7.430 ( -2.053 -6.069 -0.000) 6.406 8.079 ( -2.045 -6.544 -0.000) 6.856 9.024 ( 13.149 1.239 -0.000) 13.208 9.848 ( -11.003 1.074 0.000) 11.056 10.845 ( 5.706 17.594 0.000) 18.496 11.069 ( -4.520 -14.576 -0.000) 15.261 12.977 ( -5.113 -13.855 -0.000) 14.768 13.431 ( -6.851 2.466 0.000) 7.281 14.272 ( -3.338 48.585 0.000) 48.699 16.463 ( 30.042 -10.361 -0.000) 31.779 22.174 ( -4.039 -26.148 -0.000) 26.458 22.489 ( -6.086 -18.624 -0.000) 19.594 30.232 ( -9.026 8.702 0.000) 12.537 43.947 ( -4.208 -3.217 0.000) 5.297 ======================= Grid point 10 (10/290) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 12.663 -12.191 11.111) 20.795 3.242 ( 2.686 -7.914 -13.135) 15.568 3.472 ( 5.646 -19.017 -5.748) 20.654 4.060 ( 6.352 -5.230 1.429) 8.351 4.911 ( 23.602 1.591 -4.817) 24.141 5.444 ( -7.283 5.578 9.114) 12.931 6.396 ( 13.941 19.723 11.053) 26.561 7.577 ( 7.280 -3.047 -0.617) 7.916 8.219 ( 4.920 7.475 -6.675) 11.165 8.982 ( 10.935 -10.315 0.418) 15.038 9.628 ( 6.688 -3.820 11.064) 13.481 10.558 ( -1.444 -1.779 -4.079) 4.678 11.920 ( 1.639 2.909 -21.347) 21.607 12.786 ( -16.988 -11.428 11.044) 23.263 13.282 ( 5.685 -13.685 3.025) 15.124 13.897 ( -1.983 -5.055 -10.240) 11.590 16.705 ( 27.156 14.662 0.565) 30.867 22.602 ( -3.729 18.430 0.493) 18.809 23.026 ( -13.904 23.276 -6.532) 27.888 29.942 ( -3.952 -12.571 2.952) 13.504 43.999 ( -2.855 2.999 0.528) 4.174 ======================= Grid point 11 (11/290) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 6.364 -11.846 3.463) 13.886 3.040 ( -1.007 -12.531 -3.807) 13.136 3.420 ( 13.490 -6.195 -5.195) 15.728 4.051 ( 3.395 -4.621 1.397) 5.902 5.299 ( -3.050 4.242 14.336) 15.259 5.577 ( 17.925 4.796 -10.063) 21.109 7.233 ( 19.042 23.573 7.925) 31.323 7.742 ( 9.117 1.584 -5.913) 10.981 8.535 ( 5.644 14.367 -5.150) 16.272 8.958 ( 10.102 -13.099 5.840) 17.543 9.763 ( 7.159 -1.192 2.899) 7.815 10.468 ( 0.090 -7.102 -9.957) 12.230 11.967 ( 4.145 -6.390 -11.979) 14.195 12.446 ( -4.276 0.333 29.699) 30.007 12.936 ( -4.299 -13.085 -15.406) 20.665 14.096 ( 3.252 13.818 -3.515) 14.625 17.476 ( 19.361 13.805 1.169) 23.807 22.847 ( -1.064 12.217 0.185) 12.265 23.102 ( -13.990 15.010 -6.036) 21.388 29.693 ( 0.762 -9.533 1.072) 9.624 44.007 ( -2.305 3.215 0.387) 3.975 ======================= Grid point 12 (12/290) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 7.757 6.041 -0.000) 9.831 3.822 ( 2.064 9.054 0.000) 9.286 3.867 ( -5.918 11.780 0.000) 13.183 4.422 ( 9.414 1.862 -0.000) 9.597 4.985 ( 18.235 -5.995 -0.000) 19.195 5.091 ( -12.720 -8.222 0.000) 15.146 6.775 ( 6.225 4.468 -0.000) 7.663 7.035 ( -10.772 -20.092 -0.000) 22.797 7.904 ( -3.780 -5.009 0.000) 6.275 9.277 ( 8.892 0.811 -0.000) 8.929 9.543 ( -9.491 -9.520 0.000) 13.443 10.590 ( -11.214 -16.426 -0.000) 19.889 11.297 ( 3.581 19.087 0.000) 19.420 12.532 ( -10.187 -12.180 0.000) 15.879 13.247 ( -7.681 -5.445 0.000) 9.415 15.077 ( -5.875 42.284 0.000) 42.690 16.904 ( 25.278 -4.860 -0.000) 25.741 21.596 ( -1.239 -26.094 -0.000) 26.123 22.115 ( -1.359 -11.744 -0.000) 11.822 30.160 ( -8.306 3.021 0.000) 8.838 43.786 ( -4.694 -3.306 0.000) 5.741 ======================= Grid point 13 (13/290) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 8.165 4.645 -0.000) 9.394 3.917 ( -4.022 5.081 0.000) 6.480 3.939 ( -2.889 4.235 0.000) 5.127 4.612 ( 5.559 0.648 -0.000) 5.597 4.730 ( -8.177 -5.467 0.000) 9.836 5.159 ( 8.492 -3.791 -0.000) 9.300 6.342 ( -13.088 -19.522 -0.000) 23.503 6.986 ( 5.009 3.740 -0.000) 6.251 7.740 ( -2.977 -3.851 0.000) 4.868 9.146 ( -6.385 -11.961 -0.000) 13.559 9.417 ( 3.986 0.085 -0.000) 3.987 10.065 ( -11.108 -10.184 0.000) 15.070 11.733 ( 3.119 17.634 0.000) 17.908 12.178 ( -5.912 -5.910 0.000) 8.359 12.934 ( -5.985 -10.824 -0.000) 12.368 15.635 ( -4.752 25.198 0.000) 25.642 17.257 ( 14.216 -1.927 -0.000) 14.346 21.158 ( 0.533 -16.797 -0.000) 16.805 21.955 ( 0.803 -4.900 -0.000) 4.966 30.043 ( -5.253 0.342 0.000) 5.264 43.648 ( -3.018 -2.102 0.000) 3.678 ======================= Grid point 14 (14/290) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 2.992 -7.742 0.852) 8.344 2.804 ( -1.513 -7.929 -1.958) 8.306 3.644 ( 11.687 -0.821 -0.497) 11.726 4.044 ( 2.012 -1.897 -0.138) 2.769 5.226 ( -6.367 1.899 6.593) 9.360 6.010 ( 12.420 3.214 -4.044) 13.451 7.875 ( 10.458 6.290 14.031) 18.596 8.000 ( 5.760 11.202 -14.471) 19.185 8.809 ( 10.390 -14.111 -7.417) 19.029 9.080 ( 1.729 21.256 7.021) 22.452 9.758 ( 0.668 -8.596 -0.308) 8.628 10.336 ( 1.730 -6.414 -5.889) 8.878 11.936 ( 3.445 -2.188 -1.246) 4.267 12.367 ( 1.073 -9.552 22.403) 24.378 12.793 ( -3.284 5.827 -16.259) 17.582 14.403 ( 2.487 9.703 -0.851) 10.053 18.002 ( 9.810 8.398 0.894) 12.945 23.033 ( 0.517 6.849 0.011) 6.868 23.076 ( -8.585 7.174 -3.562) 11.741 29.588 ( 2.022 -4.799 0.139) 5.209 44.024 ( -1.232 2.082 0.164) 2.425 ======================= Grid point 15 (15/290) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 -0.000 -0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 -0.000 -0.000) 0.000 5.170 ( 0.000 -0.000 -0.000) 0.000 6.172 ( 0.000 0.000 -0.000) 0.000 8.009 ( 0.000 0.000 -0.000) 0.000 8.242 ( 0.000 -0.000 -0.000) 0.000 8.724 ( 0.000 -0.000 -0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 -0.000 -0.000) 0.000 10.295 ( 0.000 -0.000 -0.000) 0.000 11.986 ( 0.000 -0.000 -0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 -0.000 -0.000) 0.000 14.529 ( 0.000 -0.000 -0.000) 0.000 18.188 ( 0.000 -0.000 -0.000) 0.000 23.054 ( 0.000 -0.000 -0.000) 0.000 23.110 ( 0.000 0.000 -0.000) 0.000 29.566 ( 0.000 -0.000 -0.000) 0.000 44.032 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 17 (16/290) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 0.000 0.000 -0.000) 0.000 3.913 ( -0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 -0.000) 0.000 4.668 ( 0.000 0.000 -0.000) 0.000 5.207 ( 0.000 0.000 -0.000) 0.000 5.978 ( 0.000 0.000 -0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.665 ( -0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 -0.000) 0.000 9.457 ( 0.000 0.000 -0.000) 0.000 9.839 ( 0.000 0.000 -0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 -0.000) 0.000 12.707 ( 0.000 0.000 -0.000) 0.000 15.836 ( 0.000 0.000 -0.000) 0.000 17.389 ( 0.000 0.000 -0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 21.921 ( 0.000 0.000 0.000) 0.000 29.988 ( 0.000 0.000 0.000) 0.000 43.594 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 31 (17/290) ======================= q-point: (-0.23 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.000 -18.794 -8.537) 20.642 2.157 ( -0.000 -30.161 -6.807) 30.920 3.055 ( -0.000 -9.472 4.017) 10.289 3.253 ( 0.000 2.278 3.565) 4.231 3.658 ( -0.000 -37.261 -19.476) 42.044 6.347 ( 0.000 8.544 14.923) 17.196 6.656 ( -0.000 -25.580 -3.252) 25.786 7.312 ( -0.000 -12.424 6.654) 14.093 7.893 ( 0.000 9.963 22.637) 24.733 8.148 ( 0.000 -8.993 7.140) 11.483 9.607 ( 0.000 -17.337 19.066) 25.770 11.182 ( -0.000 -13.877 -3.066) 14.211 11.343 ( -0.000 -16.394 -24.572) 29.539 12.917 ( -0.000 3.565 -8.362) 9.090 13.349 ( -0.000 -31.498 -7.871) 32.466 13.879 ( -0.000 -18.873 -20.427) 27.811 14.374 ( 0.000 4.268 0.029) 4.268 23.000 ( 0.000 20.590 6.122) 21.481 23.670 ( 0.000 37.916 -17.114) 41.599 30.736 ( 0.000 -10.325 14.551) 17.842 44.023 ( -0.000 -2.396 0.018) 2.396 ======================= Grid point 32 (18/290) ======================= q-point: ( 0.27 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 14.041 5.577) 15.108 2.706 ( 0.000 24.864 8.662) 26.330 3.192 ( -0.000 7.144 -11.789) 13.784 3.204 ( -0.000 -2.667 -2.819) 3.880 4.369 ( 0.000 33.042 16.377) 36.878 6.157 ( -0.000 -10.296 -10.911) 15.002 7.158 ( 0.000 25.166 3.179) 25.366 7.468 ( 0.000 -0.819 9.431) 9.467 7.810 ( -0.000 5.509 -33.120) 33.575 8.318 ( -0.000 7.921 -6.092) 9.993 9.908 ( -0.000 13.736 -15.052) 20.378 11.439 ( 0.000 -4.040 29.619) 29.894 11.464 ( 0.000 14.571 2.345) 14.759 12.879 ( 0.000 -0.291 3.572) 3.583 14.032 ( 0.000 30.778 2.237) 30.859 14.282 ( -0.000 -5.018 -0.072) 5.019 14.523 ( 0.000 49.257 10.524) 50.369 22.489 ( -0.000 -31.202 -2.176) 31.278 22.948 ( -0.000 -35.634 7.316) 36.378 30.913 ( -0.000 7.928 -8.443) 11.581 44.071 ( 0.000 2.408 -0.027) 2.408 ======================= Grid point 33 (19/290) ======================= q-point: ( 0.27 -0.02 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 19.867 8.713 2.815) 21.876 3.055 ( 1.664 6.728 15.790) 17.244 3.199 ( 4.285 3.621 -6.461) 8.557 3.486 ( 6.029 11.694 -16.163) 20.840 4.859 ( -3.646 19.374 14.237) 24.317 5.923 ( -4.689 -7.925 -9.808) 13.453 7.223 ( -10.403 0.950 -3.763) 11.103 7.598 ( -1.465 12.878 10.228) 16.510 8.065 ( 1.928 10.161 -18.231) 20.961 8.480 ( 4.523 4.728 -4.977) 8.220 10.215 ( 5.798 10.576 -13.902) 18.405 11.247 ( -3.773 -8.878 28.341) 29.938 11.537 ( -16.285 10.625 1.467) 19.500 12.931 ( 2.617 2.009 -1.010) 3.450 14.363 ( 10.661 2.387 -0.672) 10.945 14.465 ( -1.417 13.574 5.139) 14.583 15.619 ( -1.585 56.575 2.866) 56.670 21.791 ( -1.891 -36.137 -0.256) 36.187 22.291 ( -1.298 -28.365 1.762) 28.450 30.976 ( -6.256 5.772 -4.237) 9.508 44.102 ( -1.145 1.384 -0.065) 1.797 ======================= Grid point 34 (20/290) ======================= q-point: (-0.23 -0.02 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 14.387 -24.668 -8.139) 29.694 1.722 ( 21.455 -23.496 -11.911) 33.974 2.707 ( 12.211 -31.569 -19.189) 38.909 3.151 ( -0.312 -10.179 -4.616) 11.181 3.414 ( 9.490 -0.932 3.417) 10.129 6.161 ( -1.585 -12.785 1.721) 12.997 6.442 ( -2.055 3.218 17.968) 18.370 7.127 ( 2.737 -8.629 6.691) 11.257 7.955 ( 0.595 -6.714 13.427) 15.024 8.252 ( 11.871 7.471 13.738) 19.634 9.284 ( 5.076 -21.428 22.486) 31.472 10.670 ( -17.711 -15.856 -11.948) 26.605 10.923 ( 5.810 -27.648 -18.163) 33.587 12.853 ( -3.374 -14.352 -10.901) 18.335 12.993 ( 2.366 1.554 -0.686) 2.913 13.591 ( -8.724 -1.296 -27.744) 29.112 15.168 ( 45.560 27.002 -6.360) 53.341 23.207 ( -5.387 5.314 9.784) 12.369 24.281 ( -13.262 35.016 -28.865) 47.278 30.272 ( -16.939 -22.374 17.092) 32.858 44.035 ( 4.048 0.307 1.168) 4.225 ======================= Grid point 35 (21/290) ======================= q-point: (-0.23 -0.02 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 21.952 -13.706 -10.015) 27.750 1.778 ( 21.940 -20.656 -16.847) 34.523 2.870 ( 37.129 -6.914 -14.382) 40.413 3.041 ( 6.729 -6.247 -3.127) 9.700 3.605 ( 10.961 -1.470 3.067) 11.477 6.212 ( 1.385 4.134 22.508) 22.926 6.571 ( 10.606 10.720 0.452) 15.086 7.074 ( 4.615 -4.616 2.415) 6.960 7.832 ( 7.092 -12.410 17.522) 22.612 8.703 ( 14.917 9.267 10.579) 20.502 9.071 ( 10.010 -12.125 13.205) 20.533 10.080 ( -11.582 -11.902 -30.671) 34.879 10.648 ( 15.744 -19.840 -9.994) 27.229 12.685 ( 4.085 -4.756 5.292) 8.204 13.035 ( -0.615 -1.520 0.729) 1.794 13.531 ( 2.845 3.315 -24.610) 24.995 16.721 ( 24.249 38.264 8.525) 46.095 23.046 ( -3.117 -7.124 3.911) 8.705 24.379 ( -25.411 16.694 -30.837) 43.305 29.444 ( -4.877 -25.049 3.665) 25.782 44.147 ( 1.669 2.431 3.542) 4.609 ======================= Grid point 36 (22/290) ======================= q-point: ( 0.27 -0.02 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 10.957 2.110 5.951) 12.646 3.231 ( 19.914 2.383 7.434) 21.389 3.431 ( 13.361 0.375 -3.458) 13.806 3.813 ( 2.061 11.430 -17.205) 20.758 4.971 ( -7.885 5.712 16.046) 18.769 5.665 ( -9.475 -3.916 -9.266) 13.819 7.007 ( -6.238 -6.133 -3.559) 9.444 7.742 ( -9.616 14.038 3.530) 17.378 8.125 ( -6.445 1.451 -4.300) 7.883 8.731 ( 11.183 3.278 -3.243) 12.096 10.393 ( -2.401 -3.158 -4.522) 6.015 11.120 ( -3.124 6.769 9.446) 12.033 11.276 ( -16.034 1.977 4.338) 16.727 12.977 ( -2.696 0.555 -1.175) 2.993 14.456 ( -20.209 11.711 2.213) 23.462 14.798 ( 29.239 -3.829 -0.077) 29.489 16.474 ( -9.192 38.338 0.896) 39.434 21.116 ( -0.180 -27.100 0.080) 27.101 21.851 ( 1.011 -15.185 0.013) 15.219 30.886 ( -10.041 2.257 -1.551) 10.408 44.065 ( -3.782 0.085 -0.047) 3.783 ======================= Grid point 37 (23/290) ======================= q-point: ( 0.27 -0.02 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 6.489 -4.189 9.577) 12.303 3.744 ( 15.652 0.260 -4.957) 16.420 3.814 ( 23.395 1.294 0.714) 23.441 4.003 ( 3.121 5.168 -15.981) 17.084 4.835 ( -10.364 1.218 17.264) 20.173 5.371 ( -11.718 -2.823 -6.756) 13.818 6.645 ( -8.065 -17.459 6.941) 20.446 7.797 ( -11.468 14.839 -10.315) 21.404 7.956 ( -7.508 -0.896 -0.232) 7.565 9.018 ( 12.058 0.952 1.748) 12.221 10.031 ( -16.169 -8.903 5.190) 19.174 10.811 ( -18.902 -1.882 3.111) 19.248 11.527 ( 8.775 13.799 -7.872) 18.149 12.836 ( -8.997 -0.376 2.981) 9.485 14.060 ( -29.239 1.544 -0.902) 29.293 15.443 ( 35.416 -0.274 0.003) 35.417 16.619 ( -13.947 0.800 0.132) 13.970 20.860 ( 2.079 0.106 -0.006) 2.082 21.750 ( 2.982 -0.201 0.009) 2.989 30.661 ( -11.933 -1.471 -0.001) 12.023 43.963 ( -5.686 -0.058 -0.003) 5.687 ======================= Grid point 38 (24/290) ======================= q-point: (-0.23 -0.02 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 18.039 -0.000 -8.672) 20.015 2.113 ( 27.989 -0.000 -12.719) 30.743 2.929 ( -3.694 0.000 1.832) 4.123 3.692 ( 21.117 0.000 2.479) 21.262 3.956 ( 37.949 -0.000 -9.388) 39.093 6.128 ( -10.341 0.000 17.368) 20.213 7.094 ( 18.545 -0.000 -6.118) 19.528 7.163 ( 8.740 -0.000 -1.478) 8.864 7.900 ( 13.828 0.000 25.140) 28.691 9.167 ( 9.294 0.000 13.486) 16.378 9.203 ( 17.679 0.000 2.711) 17.886 9.760 ( -4.482 -0.000 -30.910) 31.233 10.839 ( 20.613 -0.000 -6.058) 21.485 12.719 ( -1.141 -0.000 -4.366) 4.513 12.950 ( -1.597 0.000 12.153) 12.257 13.780 ( 14.668 -0.000 -14.580) 20.682 17.386 ( 9.972 0.000 9.795) 13.978 22.979 ( 2.331 0.000 0.014) 2.331 24.016 ( -22.750 -0.000 -20.071) 30.338 29.249 ( 5.049 0.000 -0.245) 5.055 44.168 ( -1.290 0.000 2.323) 2.657 ======================= Grid point 39 (25/290) ======================= q-point: (-0.23 -0.02 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 12.120 13.485 -2.470) 18.298 2.738 ( 23.187 5.833 -9.306) 25.656 2.889 ( -2.250 4.390 1.038) 5.041 3.959 ( 8.166 2.626 6.613) 10.831 4.829 ( 39.121 -1.093 -7.500) 39.849 5.841 ( -13.582 -2.940 9.993) 17.116 7.301 ( 18.053 -15.094 -2.371) 23.651 7.391 ( 11.046 1.663 -5.833) 12.602 8.309 ( 14.164 6.654 16.655) 22.853 9.099 ( 6.344 -13.539 8.786) 17.342 9.582 ( 11.066 3.333 -0.116) 11.558 9.939 ( 1.935 15.106 -16.698) 22.600 11.387 ( 16.831 10.939 -5.594) 20.838 12.590 ( -9.876 3.918 -14.945) 18.337 13.018 ( 3.613 0.851 24.124) 24.408 14.008 ( 11.846 -7.366 -10.504) 17.462 17.444 ( 15.888 -16.193 3.723) 22.989 23.006 ( 0.442 -2.765 0.338) 2.821 23.504 ( -17.402 -8.804 -10.391) 22.098 29.466 ( 3.232 10.380 0.447) 10.881 44.114 ( -2.204 -1.672 0.943) 2.923 ======================= Grid point 40 (26/290) ======================= q-point: (-0.73 -0.02 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 10.212 -7.664 7.241) 14.678 3.878 ( -0.212 -2.190 -15.731) 15.884 4.139 ( 12.064 -0.615 0.090) 12.080 4.330 ( 15.319 -3.401 -1.095) 15.730 4.625 ( -10.740 3.433 11.739) 16.277 5.164 ( -4.148 1.623 -2.999) 5.370 6.074 ( -7.303 -18.687 13.889) 24.402 7.739 ( -3.975 -2.015 -1.732) 4.781 7.957 ( -11.644 18.275 -17.515) 27.863 9.266 ( 11.143 0.210 4.923) 12.184 9.533 ( -15.045 -4.728 5.424) 16.677 10.429 ( -14.434 -1.254 6.704) 15.964 11.901 ( 1.522 10.500 -21.678) 24.135 12.737 ( -3.063 7.007 11.999) 14.228 13.378 ( -31.498 -5.366 -2.387) 32.041 15.982 ( -2.563 -25.366 0.054) 25.495 16.252 ( 24.485 -0.446 -0.491) 24.494 21.127 ( 0.634 20.816 -0.012) 20.825 21.909 ( 1.545 9.947 -0.059) 10.067 30.367 ( -10.787 -3.656 0.787) 11.417 43.850 ( -5.895 1.253 0.033) 6.027 ======================= Grid point 41 (27/290) ======================= q-point: (-0.73 -0.02 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 11.592 -9.704 4.759) 15.849 3.781 ( -1.424 -5.263 -10.838) 12.132 4.084 ( -6.019 -9.965 1.808) 11.782 4.362 ( 4.632 -4.619 -1.899) 6.812 4.714 ( 1.021 7.417 8.674) 11.458 5.324 ( 8.091 8.213 -3.973) 12.194 5.878 ( 8.640 1.694 13.698) 16.284 7.680 ( 0.223 0.601 -0.112) 0.651 8.018 ( -16.318 16.576 -18.950) 30.003 9.360 ( 2.006 1.768 2.146) 3.428 9.528 ( 10.606 4.382 7.517) 13.718 10.189 ( -12.391 5.921 7.399) 15.599 12.014 ( -4.757 7.595 -22.915) 24.605 12.601 ( -28.204 -7.999 2.132) 29.394 13.001 ( 4.735 13.424 9.040) 16.863 15.140 ( -7.074 -39.158 -1.135) 39.808 16.908 ( 25.117 4.859 -0.059) 25.583 21.592 ( -1.205 25.925 0.046) 25.954 22.144 ( -2.045 13.746 -0.487) 13.906 30.104 ( -6.762 -4.152 0.921) 7.989 43.783 ( -4.571 3.184 0.045) 5.571 ======================= Grid point 42 (28/290) ======================= q-point: (-0.23 -0.02 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 4.788 16.086 2.431) 16.958 2.957 ( 0.334 9.102 -3.963) 9.933 3.307 ( 15.232 7.026 -4.710) 17.423 4.161 ( 5.474 3.626 7.293) 9.813 5.361 ( 3.676 -3.830 -8.177) 9.750 5.570 ( 9.767 -6.409 9.405) 14.997 7.324 ( 16.511 -18.020 3.498) 24.690 7.624 ( 9.356 -0.839 -8.027) 12.356 8.480 ( 4.574 -12.942 1.075) 13.769 9.166 ( 10.253 4.380 13.042) 17.159 9.786 ( 5.328 0.769 -1.608) 5.618 10.282 ( 2.620 14.130 -7.860) 16.380 11.667 ( 1.019 -5.220 -15.078) 15.989 12.705 ( -4.105 24.076 -6.552) 25.287 13.041 ( 0.778 -3.302 27.270) 27.481 13.941 ( 4.454 -15.513 -11.828) 20.010 17.497 ( 18.517 -14.851 0.771) 23.750 22.851 ( -1.290 -12.139 0.204) 12.209 22.992 ( -10.685 -13.066 -4.426) 17.449 29.712 ( 0.115 10.214 0.769) 10.243 44.014 ( -2.633 -3.348 0.294) 4.269 ======================= Grid point 43 (29/290) ======================= q-point: (-0.23 -0.02 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 1.449 12.291 0.280) 12.379 3.248 ( 1.558 15.075 -1.199) 15.203 3.635 ( 5.778 4.466 -3.972) 8.313 4.329 ( 3.286 4.065 9.587) 10.919 5.081 ( -10.446 -4.640 -4.477) 12.276 5.768 ( 14.209 -10.644 1.787) 17.843 7.301 ( 11.080 -14.974 6.943) 19.879 7.686 ( 6.504 -11.317 -9.240) 15.993 8.129 ( -4.734 -17.725 2.885) 18.572 9.467 ( 7.081 4.029 1.090) 8.219 9.860 ( 3.968 -2.477 0.520) 4.706 10.585 ( 2.328 9.336 3.911) 10.387 11.388 ( -4.298 -13.369 -24.618) 28.342 12.688 ( -8.386 -11.919 24.553) 28.553 13.395 ( 0.681 34.401 0.491) 34.411 13.693 ( 2.721 -14.792 -10.519) 18.354 17.587 ( 12.274 -10.022 0.030) 15.846 22.502 ( -1.282 -20.018 0.065) 20.059 22.578 ( -3.747 -13.634 -1.268) 14.196 29.856 ( -1.781 6.489 0.516) 6.749 43.884 ( -2.028 -4.713 0.065) 5.131 ======================= Grid point 44 (30/290) ======================= q-point: (-0.73 -0.02 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 7.176 -12.096 1.788) 14.178 3.589 ( -2.308 -11.320 -2.542) 11.829 3.802 ( -2.935 -6.170 0.795) 6.879 4.357 ( 3.751 -3.542 -6.690) 8.448 4.834 ( -0.414 4.287 8.810) 9.806 5.682 ( 6.049 11.186 -3.756) 13.260 6.478 ( 21.340 22.212 10.876) 32.666 7.770 ( 2.920 4.885 -1.317) 5.841 7.971 ( -17.446 15.844 -12.869) 26.852 9.492 ( 6.934 -2.036 6.287) 9.578 9.872 ( 8.343 3.104 -4.707) 10.069 10.246 ( -2.105 20.527 9.064) 22.538 11.794 ( -22.209 -7.033 5.573) 23.953 12.233 ( -1.258 9.977 -20.076) 22.454 13.366 ( 4.048 12.702 9.045) 16.111 14.254 ( -4.864 -37.510 -2.382) 37.899 17.422 ( 13.297 6.756 0.019) 14.915 22.061 ( -1.161 24.356 0.047) 24.384 22.350 ( -3.969 14.069 -0.669) 14.633 29.933 ( -2.034 -4.273 0.549) 4.764 43.789 ( -2.309 4.651 0.030) 5.192 ======================= Grid point 45 (31/290) ======================= q-point: ( 0.27 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 0.925 -13.695 -0.015) 13.726 3.281 ( -1.938 -14.624 0.025) 14.752 3.703 ( -0.908 -2.706 4.923) 5.691 4.361 ( 0.776 -2.690 -13.252) 13.545 4.925 ( 4.051 3.317 9.604) 10.938 5.946 ( -2.948 11.169 -3.845) 12.175 7.284 ( 10.852 16.971 6.419) 21.142 7.913 ( -9.733 10.277 -5.046) 15.027 8.051 ( -0.568 20.622 -1.183) 20.664 9.518 ( 2.145 -5.149 2.613) 6.160 9.938 ( -2.570 1.135 -4.022) 4.906 10.611 ( 0.970 1.524 -6.743) 6.981 11.381 ( -5.766 4.498 27.927) 28.868 12.537 ( 5.955 11.828 -23.253) 26.759 13.413 ( -0.902 -25.996 -1.868) 26.078 13.752 ( -3.010 11.200 7.495) 13.809 17.715 ( 0.082 9.266 0.051) 9.266 22.488 ( 0.067 20.233 -0.014) 20.233 22.555 ( -1.527 13.399 -0.002) 13.486 29.831 ( 0.614 -5.408 0.001) 5.443 43.862 ( 0.060 4.910 -0.004) 4.911 ======================= Grid point 46 (32/290) ======================= q-point: (-0.23 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -0.049 12.183 -0.055) 12.183 3.550 ( 1.511 12.542 0.039) 12.633 3.762 ( 1.051 3.316 -2.745) 4.432 4.423 ( -1.959 3.616 9.967) 10.782 4.853 ( -3.049 -3.917 -7.530) 9.019 5.711 ( 3.368 -12.575 1.203) 13.074 6.905 ( -18.164 -20.758 -8.608) 28.895 7.581 ( 19.350 -19.714 9.120) 29.090 7.825 ( -2.584 -6.477 3.532) 7.817 9.580 ( -0.893 1.014 -7.275) 7.400 9.865 ( 6.361 -6.953 1.695) 9.575 10.373 ( -11.921 -20.805 -0.333) 23.981 11.408 ( 14.101 7.144 -12.284) 20.019 12.274 ( -5.029 -12.166 20.341) 24.229 13.421 ( -1.288 -13.129 -8.314) 15.594 14.181 ( 2.024 39.761 1.203) 39.831 17.562 ( 0.010 -6.436 -0.026) 6.436 22.050 ( -0.064 -24.193 0.009) 24.193 22.301 ( 0.795 -12.131 0.004) 12.157 29.918 ( -0.659 3.413 -0.002) 3.477 43.764 ( -0.035 -4.903 0.004) 4.903 ======================= Grid point 47 (33/290) ======================= q-point: ( 0.77 -0.02 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -7.486 8.839 -1.871) 11.733 3.758 ( 0.542 5.990 4.810) 7.702 3.934 ( 7.327 6.906 -1.308) 10.153 4.435 ( -2.948 4.367 2.906) 6.017 4.743 ( -1.520 -4.848 -6.031) 7.886 5.463 ( -4.105 -10.989 2.425) 11.978 6.143 ( -16.329 -11.305 -13.135) 23.811 7.634 ( 19.489 -18.366 16.157) 31.276 7.691 ( -0.681 -3.251 1.343) 3.583 9.450 ( -5.304 -7.780 -1.681) 9.565 9.737 ( -9.616 -12.042 -5.629) 16.406 9.922 ( 12.663 -7.247 -5.370) 15.547 11.891 ( 10.104 2.109 10.451) 14.688 12.135 ( 12.693 0.714 4.704) 13.555 13.095 ( -3.928 -14.178 -7.192) 16.376 15.017 ( 4.525 37.929 0.772) 38.206 17.317 ( -13.842 -4.133 0.013) 14.446 21.575 ( 0.502 -24.460 -0.025) 24.465 22.110 ( 1.204 -10.210 0.249) 10.284 29.996 ( 3.461 2.334 -0.443) 4.198 43.705 ( 2.718 -3.739 -0.014) 4.623 ======================= Grid point 48 (34/290) ======================= q-point: ( 0.27 -0.02 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -1.420 -12.459 -1.852) 12.676 2.964 ( -0.878 -13.133 2.696) 13.436 3.565 ( -8.834 -2.795 5.695) 10.876 4.261 ( -4.255 -2.865 -11.169) 12.290 5.160 ( 11.443 3.348 5.576) 13.162 5.949 ( -15.340 7.748 -5.041) 17.910 7.549 ( -4.660 9.289 5.090) 11.572 7.862 ( -13.034 8.517 0.960) 15.599 8.530 ( -0.375 21.234 0.810) 21.253 9.352 ( -6.543 -6.884 -12.349) 15.579 9.866 ( -2.840 -1.622 -0.961) 3.409 10.365 ( -5.593 -11.958 5.148) 14.169 11.618 ( 5.004 9.519 21.101) 23.683 12.616 ( 4.771 -21.811 3.213) 22.556 13.082 ( -3.191 4.407 -29.175) 29.678 14.011 ( -2.539 16.775 11.858) 20.699 17.805 ( -10.668 11.875 -0.236) 15.965 22.829 ( 4.168 11.709 1.760) 12.553 22.833 ( 1.107 13.537 0.168) 13.583 29.717 ( -0.180 -7.318 -0.336) 7.328 43.968 ( 1.674 3.790 -0.097) 4.144 ======================= Grid point 49 (35/290) ======================= q-point: ( 0.27 -0.02 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -7.958 -11.005 0.720) 13.600 2.815 ( 3.019 -5.291 1.176) 6.205 3.206 ( -19.502 -3.434 6.294) 20.778 4.104 ( -6.102 -2.015 -8.725) 10.836 5.422 ( -2.859 2.211 8.455) 9.195 5.666 ( -11.772 3.315 -10.726) 16.267 7.541 ( -7.854 2.750 12.000) 14.603 7.719 ( -17.038 9.489 0.593) 19.512 8.604 ( -13.934 -1.129 -12.787) 18.946 9.215 ( -4.867 11.284 -10.983) 16.482 9.743 ( -4.150 -5.391 -1.240) 6.916 10.022 ( -6.031 -10.625 15.085) 19.412 11.677 ( -10.416 -3.187 6.326) 12.596 12.371 ( 10.358 -9.417 15.742) 21.066 13.103 ( -4.276 2.281 -27.493) 27.917 14.199 ( -6.658 9.735 9.395) 15.079 17.766 ( -14.678 11.354 -1.695) 18.634 23.020 ( -0.733 5.371 -0.091) 5.422 23.195 ( 12.222 7.331 5.742) 15.365 29.536 ( -3.220 -7.068 -0.219) 7.770 44.066 ( 2.265 1.878 -0.388) 2.968 ======================= Grid point 50 (36/290) ======================= q-point: ( 0.77 -0.02 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -9.806 5.151 -4.513) 11.961 3.853 ( 1.283 2.175 11.843) 12.109 4.245 ( 6.619 6.108 -4.790) 10.201 4.445 ( -4.226 2.852 1.712) 5.378 4.594 ( -3.898 -3.135 -6.212) 7.976 5.172 ( -4.462 -7.002 2.633) 8.710 5.989 ( 0.731 12.143 -14.496) 18.925 7.610 ( 13.601 -17.731 17.242) 28.225 7.706 ( 6.489 -3.443 1.893) 7.585 9.293 ( 7.430 -3.597 -0.414) 8.266 9.463 ( -7.623 -2.493 -6.665) 10.428 10.136 ( 14.280 0.240 -7.064) 15.934 11.892 ( 1.183 -5.440 20.306) 21.055 12.667 ( 14.972 -5.870 -13.758) 21.163 12.827 ( 10.455 1.102 2.991) 10.930 15.800 ( 9.186 25.988 0.356) 27.566 16.838 ( -25.831 -2.354 0.044) 25.938 21.142 ( -0.803 -18.327 -0.007) 18.344 21.939 ( -1.265 -7.136 0.079) 7.248 30.165 ( 8.460 2.190 -0.498) 8.753 43.733 ( 5.125 -1.771 -0.016) 5.422 ======================= Grid point 51 (37/290) ======================= q-point: (-0.23 -0.02 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -7.699 1.804 -7.227) 10.713 3.875 ( 0.015 -2.860 15.632) 15.891 4.149 ( -14.286 0.744 0.377) 14.310 4.336 ( -18.243 -2.219 -1.206) 18.418 4.606 ( 10.340 0.826 -11.084) 15.181 5.151 ( 8.786 0.585 3.477) 9.467 6.478 ( 8.139 21.105 -10.507) 24.941 7.507 ( 15.809 -22.151 14.734) 30.946 7.824 ( 5.527 2.475 0.341) 6.066 9.246 ( -9.621 -1.993 -4.870) 10.966 9.629 ( 19.915 5.223 0.021) 20.589 10.491 ( 13.981 5.050 -7.579) 16.685 11.681 ( -5.723 -12.082 14.686) 19.859 12.661 ( 7.297 -0.734 -10.419) 12.741 13.445 ( 29.014 1.757 3.029) 29.224 16.154 ( -28.592 0.495 -0.002) 28.597 16.346 ( 8.200 -1.050 -0.060) 8.267 20.906 ( -2.275 -0.032 0.003) 2.275 21.812 ( -2.975 0.057 -0.006) 2.976 30.412 ( 11.706 1.033 -0.002) 11.752 43.838 ( 6.202 0.044 0.003) 6.202 ======================= Grid point 52 (38/290) ======================= q-point: ( 0.27 -0.02 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -13.343 0.000 4.678) 14.139 2.679 ( -26.243 0.000 8.493) 27.583 2.847 ( 4.173 -0.000 -0.827) 4.254 3.932 ( -8.488 -0.000 -7.273) 11.178 4.840 ( -40.366 0.000 7.510) 41.059 5.870 ( 13.717 -0.000 -10.263) 17.131 7.361 ( -9.973 0.000 8.534) 13.126 7.482 ( -18.423 0.000 5.687) 19.280 8.214 ( -16.227 -0.000 -25.596) 30.307 9.352 ( -8.284 -0.000 -10.679) 13.515 9.477 ( -7.372 -0.000 -1.362) 7.497 9.758 ( -5.130 0.000 23.982) 24.524 11.262 ( -19.650 0.000 4.172) 20.088 12.562 ( 11.676 0.000 16.786) 20.448 13.010 ( -5.367 -0.000 -24.775) 25.350 14.082 ( -13.127 0.000 9.813) 16.390 17.617 ( -12.480 -0.000 -4.962) 13.430 23.027 ( -2.282 -0.000 -0.003) 2.282 23.591 ( 18.309 0.000 11.371) 21.553 29.358 ( -5.372 -0.000 0.134) 5.374 44.131 ( 2.167 -0.000 -1.060) 2.413 ======================= Grid point 53 (39/290) ======================= q-point: ( 0.27 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -18.434 13.821 4.073) 23.397 2.240 ( -23.540 13.181 13.587) 30.207 2.947 ( 2.667 1.827 -1.564) 3.591 3.733 ( -18.902 3.967 -2.161) 19.435 3.975 ( -37.272 2.007 9.658) 38.556 6.097 ( 10.297 -3.147 -16.307) 19.541 6.899 ( -19.052 -15.902 1.078) 24.840 7.202 ( -7.779 3.639 2.387) 8.914 8.035 ( -11.999 10.035 -18.715) 24.391 8.945 ( -8.975 -13.253 -8.812) 18.272 9.321 ( -13.346 7.575 -4.202) 15.910 9.942 ( 2.637 14.348 23.243) 27.442 11.013 ( -18.649 16.095 6.966) 25.600 12.727 ( 1.833 1.389 4.556) 5.103 12.987 ( 1.592 3.890 -11.850) 12.573 13.731 ( -13.716 -4.834 14.731) 20.700 17.117 ( -16.253 -24.415 -6.597) 30.062 23.008 ( 0.761 1.342 -1.172) 1.938 23.903 ( 21.075 -11.278 17.998) 29.921 29.416 ( -1.190 15.694 -1.116) 15.778 44.150 ( 1.053 -1.761 -1.961) 2.838 ======================= Grid point 54 (40/290) ======================= q-point: (-0.23 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -4.871 -1.750 -9.510) 10.827 3.674 ( -8.089 -8.578 12.654) 17.296 3.780 ( -26.150 -2.462 -1.449) 26.306 3.922 ( -10.699 -1.316 5.600) 12.148 4.781 ( 9.940 -5.205 -14.977) 18.714 5.441 ( 11.766 4.849 6.922) 14.486 6.883 ( 5.722 3.415 9.833) 11.879 7.494 ( 14.152 -10.748 -6.008) 18.759 7.993 ( 5.980 1.354 2.955) 6.806 8.972 ( -11.603 -3.627 -2.390) 12.389 10.165 ( 19.118 4.307 1.503) 19.655 10.850 ( 12.156 1.376 -1.514) 12.327 11.293 ( -6.764 -9.041 -3.075) 11.703 12.872 ( 7.083 3.234 -3.055) 8.364 13.972 ( 25.490 -7.160 0.158) 26.477 15.474 ( -34.598 2.536 0.263) 34.692 16.258 ( 11.159 -33.251 -0.900) 35.086 21.116 ( -0.265 23.956 -0.040) 23.958 21.876 ( -1.355 12.276 -0.038) 12.350 30.654 ( 11.983 -2.182 1.144) 12.234 43.970 ( 5.328 0.704 0.053) 5.374 ======================= Grid point 55 (41/290) ======================= q-point: (-0.23 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -15.784 -7.225 -4.649) 17.970 3.158 ( -15.668 -5.021 -10.040) 19.274 3.311 ( -6.452 -12.899 12.667) 19.196 3.669 ( -11.380 -1.957 6.363) 13.184 4.753 ( 6.376 -16.725 -14.379) 22.960 5.782 ( 8.844 7.951 8.633) 14.695 6.972 ( 12.934 -11.007 16.397) 23.608 7.551 ( 3.125 -3.757 -13.511) 14.368 8.061 ( 2.019 -4.445 8.980) 10.221 8.644 ( -10.638 -5.390 1.199) 11.985 10.333 ( -2.895 -8.447 15.532) 17.916 11.012 ( 17.523 -6.560 -10.883) 21.646 11.294 ( 4.799 4.726 -16.275) 17.614 12.978 ( -1.217 0.827 -0.607) 1.592 14.170 ( 16.027 -17.137 -2.592) 23.606 14.878 ( -26.802 1.426 0.640) 26.848 15.573 ( 2.346 -47.608 -2.870) 47.752 21.740 ( 2.889 34.032 0.152) 34.155 22.254 ( 2.165 25.180 -1.405) 25.312 30.801 ( 10.228 -6.445 3.300) 12.531 44.063 ( 2.715 -0.096 0.125) 2.720 ======================= Grid point 56 (42/290) ======================= q-point: ( 0.27 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -17.372 21.578 3.725) 27.951 2.234 ( -22.324 23.650 9.547) 33.894 2.964 ( -6.238 3.106 0.837) 7.018 3.322 ( -22.870 21.549 17.459) 35.948 3.640 ( -11.887 1.913 -2.790) 12.359 6.143 ( 1.971 -1.618 -12.638) 12.893 6.416 ( -1.862 -5.376 -7.094) 9.094 7.196 ( -4.067 7.946 -2.507) 9.272 8.023 ( -5.642 6.004 -13.556) 15.864 8.509 ( -12.362 -8.237 -7.000) 16.421 9.408 ( -6.181 20.036 -18.510) 27.969 10.340 ( 11.266 13.946 21.233) 27.789 11.106 ( -11.028 23.406 14.232) 29.529 12.837 ( -0.499 12.538 -0.348) 12.553 13.080 ( -4.382 2.007 -0.459) 4.842 13.498 ( -0.086 2.412 19.238) 19.388 15.995 ( -33.498 -32.181 -0.289) 46.452 23.078 ( 6.370 -5.156 -5.055) 9.629 23.953 ( 17.319 -25.928 20.783) 37.472 29.954 ( 12.057 24.421 -7.496) 28.248 44.101 ( -1.789 -2.017 -1.723) 3.200 ======================= Grid point 57 (43/290) ======================= q-point: ( 0.27 -0.02 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -21.915 17.774 5.408) 28.731 2.232 ( -8.430 27.590 6.303) 29.529 3.022 ( 1.487 5.677 -3.158) 6.664 3.391 ( -11.181 1.299 -2.844) 11.610 3.694 ( -3.576 34.478 18.801) 39.433 6.283 ( 6.265 -6.856 -13.302) 16.224 6.548 ( 8.049 19.761 -2.615) 21.497 7.330 ( -1.527 11.235 -4.208) 12.094 7.958 ( -4.597 -5.900 -18.173) 19.652 8.224 ( -7.639 5.595 -5.685) 11.044 9.669 ( -5.463 17.622 -19.963) 27.183 10.970 ( 17.669 15.071 8.788) 24.831 11.365 ( -2.006 13.390 24.180) 27.713 12.942 ( -3.584 -2.556 7.705) 8.874 13.289 ( 2.922 32.036 0.781) 32.178 13.805 ( 4.720 20.011 15.016) 25.460 14.809 ( -32.520 -12.181 3.389) 34.892 22.953 ( 4.247 -19.893 -5.132) 20.979 23.593 ( 7.135 -35.494 15.516) 39.389 30.610 ( 10.823 13.567 -11.878) 21.031 44.045 ( -1.724 1.126 -0.366) 2.092 ======================= Grid point 58 (44/290) ======================= q-point: (-0.23 -0.02 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -21.477 -12.784 -4.112) 25.330 2.745 ( -4.164 -23.583 -7.546) 25.109 3.105 ( 2.107 -4.047 7.438) 8.726 3.397 ( -11.818 -0.512 5.257) 12.944 4.358 ( 0.970 -31.070 -16.181) 35.044 6.105 ( 4.989 10.000 10.484) 15.324 6.971 ( 14.405 -21.065 5.637) 26.134 7.492 ( -1.181 -3.513 -7.799) 8.635 7.903 ( -6.429 -3.541 21.698) 22.906 8.361 ( -4.834 -7.153 4.716) 9.837 9.975 ( -5.923 -13.894 16.440) 22.325 11.248 ( 17.828 -12.181 -9.864) 23.738 11.440 ( 1.016 2.567 -23.368) 23.530 12.913 ( -3.549 0.275 -2.906) 4.595 13.953 ( 5.743 -29.051 -0.007) 29.613 14.357 ( -2.109 -26.238 -4.702) 26.739 14.714 ( -19.392 -14.333 -5.687) 24.776 22.455 ( 3.146 30.582 1.838) 30.799 22.908 ( 3.770 34.076 -6.682) 34.929 30.830 ( 7.574 -9.251 7.437) 14.081 44.073 ( -0.047 -1.576 0.142) 1.583 ======================= Grid point 59 (45/290) ======================= q-point: (-0.46 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -0.000 -3.718 -2.870) 4.697 3.067 ( 0.000 1.034 1.903) 2.166 3.199 ( 0.000 -7.992 17.031) 18.813 3.609 ( -0.000 -5.664 -18.945) 19.774 5.439 ( -0.000 -8.566 -13.229) 15.760 5.574 ( 0.000 4.859 16.158) 16.873 7.318 ( 0.000 -2.905 14.095) 14.392 7.960 ( -0.000 -5.488 -8.056) 9.748 8.032 ( -0.000 -13.352 -4.368) 14.048 8.380 ( 0.000 -1.070 5.690) 5.790 10.155 ( 0.000 -9.711 7.431) 12.228 11.435 ( 0.000 10.891 -6.359) 12.612 11.957 ( -0.000 -6.846 -1.068) 6.929 12.931 ( -0.000 0.904 -4.890) 4.973 14.102 ( 0.000 3.114 0.099) 3.115 15.011 ( -0.000 -12.124 -4.829) 13.050 16.696 ( -0.000 -42.261 -0.890) 42.270 21.128 ( 0.000 30.348 -0.190) 30.348 21.829 ( 0.000 18.945 0.031) 18.945 31.062 ( -0.000 -4.647 2.842) 5.447 44.143 ( -0.000 -1.083 0.024) 1.083 ======================= Grid point 60 (46/290) ======================= q-point: ( 0.04 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 31.685 0.000) 31.685 0.723 ( 0.000 36.659 0.000) 36.659 1.199 ( 0.000 60.175 0.000) 60.175 3.105 ( 0.000 1.736 0.000) 1.736 3.364 ( -0.000 -1.052 -0.000) 1.052 5.828 ( 0.000 11.967 0.000) 11.967 6.885 ( -0.000 -5.719 -0.000) 5.719 7.026 ( 0.000 5.555 0.000) 5.555 7.953 ( 0.000 4.157 0.000) 4.157 8.763 ( -0.000 -15.483 -0.000) 15.483 9.401 ( 0.000 14.561 0.000) 14.561 10.063 ( 0.000 19.988 0.000) 19.988 10.728 ( 0.000 6.076 0.000) 6.076 12.081 ( 0.000 7.616 0.000) 7.616 13.044 ( 0.000 0.219 0.000) 0.219 13.077 ( 0.000 7.300 0.000) 7.300 14.490 ( -0.000 -1.546 -0.000) 1.546 23.771 ( -0.000 -8.523 -0.000) 8.523 24.274 ( -0.000 -11.651 -0.000) 11.651 30.731 ( 0.000 2.418 0.000) 2.418 43.951 ( 0.000 1.061 0.000) 1.061 ======================= Grid point 61 (47/290) ======================= q-point: ( 0.04 -0.04 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 11.956 31.017 0.000) 33.241 1.584 ( 28.400 22.889 -0.000) 36.476 2.496 ( 16.750 46.662 0.000) 49.577 3.109 ( -2.897 1.946 0.000) 3.490 3.450 ( 9.165 0.100 -0.000) 9.166 6.169 ( 2.017 13.189 0.000) 13.343 6.671 ( -5.538 -9.140 -0.000) 10.687 7.182 ( 0.910 9.008 0.000) 9.054 8.110 ( 4.004 6.025 0.000) 7.234 8.500 ( 3.091 -13.913 -0.000) 14.252 9.733 ( 5.369 14.172 0.000) 15.155 10.285 ( -30.608 29.135 0.000) 42.258 10.712 ( 6.157 25.049 0.000) 25.795 12.571 ( 15.639 7.806 -0.000) 17.479 13.062 ( -1.445 4.904 0.000) 5.112 13.283 ( -0.376 12.985 0.000) 12.990 15.107 ( 48.159 -24.775 -0.000) 54.158 23.387 ( -10.903 -11.489 0.000) 15.839 23.880 ( -6.219 -20.959 -0.000) 21.862 30.471 ( -24.311 18.718 0.000) 30.682 44.050 ( 4.809 -1.323 -0.000) 4.987 ======================= Grid point 62 (48/290) ======================= q-point: (-0.46 -0.04 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 18.239 -7.081 -4.706) 20.124 2.914 ( -0.802 -13.087 18.692) 22.832 3.274 ( 13.151 -0.094 5.721) 14.342 3.483 ( 0.798 -7.183 -25.342) 26.353 5.125 ( -3.645 -18.753 -11.003) 22.046 5.670 ( -3.838 7.971 14.519) 17.002 6.987 ( -17.968 -9.946 20.591) 29.082 7.755 ( 0.558 -13.401 2.275) 13.604 7.921 ( 6.918 -8.959 -14.002) 18.005 8.372 ( 7.291 -4.654 5.414) 10.205 9.955 ( 3.021 -13.873 13.261) 19.428 11.576 ( -16.318 -9.203 -2.637) 18.919 11.691 ( -0.607 12.296 -13.742) 18.450 12.966 ( 1.128 0.449 -5.366) 5.501 14.356 ( 14.207 1.073 0.130) 14.248 14.587 ( -7.013 -17.136 -6.671) 19.681 15.688 ( -1.552 -52.191 -3.693) 52.345 21.786 ( -1.803 35.266 0.255) 35.313 22.334 ( -1.614 32.210 -2.340) 32.336 30.870 ( -5.368 -9.143 5.795) 12.083 44.101 ( -1.221 -1.443 0.087) 1.892 ======================= Grid point 63 (49/290) ======================= q-point: (-0.46 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 6.510 -17.487 15.945) 24.544 2.996 ( 23.607 -7.902 -6.129) 25.638 3.366 ( 4.801 -8.628 -20.857) 23.076 3.608 ( 15.652 0.422 3.525) 16.049 4.642 ( -1.214 -21.892 -13.690) 25.849 5.701 ( -7.816 7.002 15.370) 18.610 6.358 ( -16.064 -11.240 17.220) 26.094 7.526 ( 2.874 -12.421 4.757) 13.608 7.934 ( 4.843 -1.447 -6.819) 8.488 8.522 ( 16.226 -6.063 0.660) 17.334 9.726 ( 2.951 -16.140 19.437) 25.436 11.009 ( -17.884 -7.961 -7.374) 20.919 11.876 ( -1.544 6.530 -21.413) 22.440 13.031 ( 5.026 0.843 1.920) 5.446 13.831 ( -13.121 -25.193 -5.340) 28.903 14.470 ( 1.443 -34.866 -3.360) 35.057 15.283 ( 24.092 5.825 -4.109) 25.125 22.347 ( -4.330 27.800 0.934) 28.150 22.924 ( -7.961 35.987 -6.496) 37.425 30.500 ( -8.330 -13.613 7.149) 17.487 44.056 ( -1.277 -0.145 0.378) 1.339 ======================= Grid point 64 (50/290) ======================= q-point: ( 0.04 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 12.676 22.828 0.000) 26.111 2.593 ( 28.786 18.857 -0.000) 34.413 3.125 ( -0.215 4.840 0.000) 4.845 3.570 ( 13.717 29.556 0.000) 32.584 3.693 ( 12.186 0.886 -0.000) 12.218 6.227 ( -10.124 -5.538 0.000) 11.539 6.495 ( -3.285 8.153 0.000) 8.790 7.378 ( 1.499 7.062 0.000) 7.219 8.213 ( 0.563 -3.833 -0.000) 3.874 8.467 ( 10.276 -0.363 -0.000) 10.282 10.174 ( 9.828 14.415 0.000) 17.447 10.268 ( -20.576 20.478 0.000) 29.029 11.178 ( 5.615 4.367 -0.000) 7.113 12.995 ( 10.871 -0.823 -0.000) 10.902 13.390 ( 0.269 38.148 0.000) 38.149 13.514 ( -4.254 14.138 0.000) 14.764 15.485 ( 33.426 -19.603 -0.000) 38.750 22.885 ( -7.765 -20.586 -0.000) 22.002 23.261 ( -8.466 -25.114 -0.000) 26.502 30.436 ( -14.335 16.188 0.000) 21.623 44.081 ( 0.605 -1.250 -0.000) 1.389 ======================= Grid point 65 (51/290) ======================= q-point: ( 0.04 -0.04 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 7.660 9.984 -0.000) 12.584 3.359 ( 5.924 13.288 0.000) 14.549 3.457 ( 20.058 16.137 -0.000) 25.743 3.955 ( 11.941 0.144 -0.000) 11.942 4.211 ( 10.503 11.720 -0.000) 15.737 5.818 ( -12.672 -9.371 0.000) 15.761 6.617 ( -5.856 12.688 0.000) 13.974 7.450 ( -0.010 -3.061 -0.000) 3.061 8.114 ( -1.592 -3.917 -0.000) 4.228 8.755 ( 12.335 3.568 -0.000) 12.841 10.154 ( -18.325 8.115 0.000) 20.042 10.678 ( 10.240 15.473 0.000) 18.555 11.132 ( -1.917 -10.068 -0.000) 10.249 13.028 ( 0.284 -7.064 -0.000) 7.070 13.611 ( -10.008 9.975 0.000) 14.131 14.321 ( -1.112 51.444 0.000) 51.456 15.824 ( 31.075 -12.198 -0.000) 33.383 22.271 ( -5.215 -27.848 -0.000) 28.332 22.621 ( -6.412 -22.999 -0.000) 23.876 30.442 ( -11.274 10.454 0.000) 15.375 44.024 ( -3.008 -1.961 0.000) 3.591 ======================= Grid point 66 (52/290) ======================= q-point: (-0.46 -0.04 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 12.895 -13.776 11.866) 22.291 3.159 ( 7.953 -8.930 -15.182) 19.326 3.304 ( 9.453 -17.239 -7.499) 21.043 3.881 ( 11.396 -3.456 2.526) 12.174 4.451 ( 18.564 -9.746 -13.473) 24.923 5.613 ( -8.767 3.848 15.860) 18.526 6.204 ( 4.258 10.883 10.820) 15.926 7.428 ( 7.036 -7.550 2.481) 10.615 8.076 ( 7.999 2.299 -3.789) 9.145 8.730 ( 13.999 -7.285 -0.245) 15.783 9.500 ( 5.725 -12.504 18.758) 23.259 10.637 ( -6.786 -3.897 -8.903) 11.853 11.881 ( 2.021 -5.295 -20.086) 20.870 13.078 ( -4.939 -20.003 6.513) 21.609 13.177 ( -1.409 -5.444 1.158) 5.741 13.923 ( -0.916 -12.216 -12.169) 17.267 16.128 ( 28.280 17.875 0.113) 33.455 22.690 ( -4.723 17.551 1.042) 18.205 23.336 ( -15.779 30.258 -9.722) 35.483 30.044 ( -5.933 -16.237 5.275) 18.074 44.045 ( -1.469 1.727 0.814) 2.409 ======================= Grid point 67 (53/290) ======================= q-point: (-0.46 -0.04 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 12.115 -10.034 5.625) 16.706 3.054 ( -0.156 -12.038 -3.975) 12.678 3.146 ( 12.579 -12.528 -11.646) 21.232 3.955 ( 6.024 -5.178 1.237) 8.039 4.940 ( 29.594 1.487 -4.722) 30.005 5.540 ( -6.595 4.183 10.883) 13.395 6.834 ( 18.524 23.096 7.436) 30.526 7.529 ( 11.051 -1.475 -3.466) 11.675 8.343 ( 12.107 2.826 -5.952) 13.784 8.782 ( 7.393 -6.543 8.035) 12.729 9.560 ( 12.188 -3.137 8.452) 15.160 10.480 ( -1.499 -6.496 -13.010) 14.619 11.809 ( 10.044 -13.871 -10.919) 20.311 12.595 ( -8.651 -7.825 21.044) 24.061 13.008 ( -2.753 -8.275 -11.418) 14.367 14.008 ( 5.178 9.742 -7.137) 13.140 17.029 ( 23.224 17.851 2.254) 29.378 22.878 ( -1.982 9.896 0.503) 10.105 23.449 ( -19.399 19.314 -10.132) 29.189 29.683 ( -0.046 -13.325 2.079) 13.486 44.053 ( -1.925 2.475 0.858) 3.251 ======================= Grid point 68 (54/290) ======================= q-point: ( 0.04 -0.04 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 6.819 5.582 -0.000) 8.812 3.754 ( 4.508 12.609 0.000) 13.391 3.965 ( -0.269 13.449 0.000) 13.452 4.198 ( 11.939 -0.136 -0.000) 11.940 4.569 ( 18.300 -2.501 -0.000) 18.470 5.370 ( -13.624 -8.073 0.000) 15.836 6.770 ( -5.494 15.483 0.000) 16.429 7.206 ( -5.907 -16.363 -0.000) 17.396 7.984 ( -3.963 -3.859 0.000) 5.531 9.070 ( 10.852 3.193 -0.000) 11.312 9.827 ( -17.593 -2.834 0.000) 17.820 10.786 ( -7.960 -13.781 -0.000) 15.915 11.187 ( 7.655 17.538 0.000) 19.135 12.745 ( -9.778 -9.934 0.000) 13.939 13.474 ( -14.153 1.795 0.000) 14.267 15.212 ( -6.696 45.975 0.000) 46.460 16.305 ( 31.731 -6.072 -0.000) 32.307 21.630 ( -2.070 -28.470 -0.000) 28.545 22.150 ( -2.005 -15.530 -0.000) 15.659 30.360 ( -10.817 4.550 0.000) 11.735 43.891 ( -5.205 -2.503 0.000) 5.776 ======================= Grid point 69 (55/290) ======================= q-point: ( 0.04 -0.04 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 8.415 4.096 -0.000) 9.359 3.981 ( -1.162 7.127 0.000) 7.221 4.042 ( -7.528 6.012 0.000) 9.634 4.441 ( 10.785 0.100 -0.000) 10.785 4.825 ( 8.713 -9.162 -0.000) 12.643 5.019 ( -4.399 0.071 0.000) 4.399 6.604 ( -11.835 -23.227 -0.000) 26.068 6.982 ( -4.882 16.186 0.000) 16.906 7.813 ( -4.056 -4.350 0.000) 5.947 9.305 ( 6.923 1.799 -0.000) 7.153 9.370 ( -15.034 -7.418 0.000) 16.764 10.312 ( -12.050 -11.825 0.000) 16.883 11.671 ( 4.126 19.133 0.000) 19.573 12.347 ( -10.288 -6.917 0.000) 12.397 13.127 ( -13.505 -6.734 0.000) 15.091 15.779 ( -8.855 27.392 0.000) 28.788 16.836 ( 25.984 -2.268 -0.000) 26.083 21.143 ( 0.829 -18.398 -0.000) 18.417 21.933 ( 1.273 -6.527 -0.000) 6.650 30.195 ( -9.253 0.702 0.000) 9.279 43.735 ( -5.172 -1.844 0.000) 5.491 ======================= Grid point 70 (56/290) ======================= q-point: (-0.46 -0.04 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 5.835 -8.099 -0.655) 10.004 2.840 ( -1.813 -7.231 -1.294) 7.566 3.328 ( 17.957 -3.279 -3.433) 18.574 3.981 ( 4.142 -2.445 0.361) 4.823 5.362 ( -3.151 2.140 15.720) 16.175 5.653 ( 19.008 2.862 -10.903) 22.099 7.585 ( 16.925 10.035 15.195) 24.860 7.820 ( 11.359 8.102 -14.707) 20.272 8.541 ( 14.859 -13.081 -9.418) 21.923 9.009 ( 5.074 17.991 10.474) 21.427 9.699 ( 5.856 -6.173 2.134) 8.772 10.302 ( 0.988 -8.439 -12.798) 15.362 11.789 ( 10.947 -9.145 -4.417) 14.933 12.388 ( -3.188 -3.850 32.897) 33.275 12.870 ( -3.922 1.890 -22.068) 22.493 14.321 ( 5.503 8.444 -2.418) 10.365 17.724 ( 16.453 10.271 2.372) 19.540 23.018 ( 0.844 5.511 0.069) 5.576 23.337 ( -16.525 8.553 -7.733) 20.150 29.530 ( 3.397 -6.434 0.303) 7.282 44.057 ( -1.818 1.788 0.508) 2.601 ======================= Grid point 71 (57/290) ======================= q-point: (-0.46 -0.04 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 3.262 0.000 0.441) 3.292 2.725 ( -1.765 -0.000 -1.695) 2.447 3.636 ( 12.478 0.000 -0.030) 12.478 4.026 ( 2.200 -0.000 -0.601) 2.281 5.245 ( -6.498 0.000 6.884) 9.466 6.042 ( 12.447 -0.000 -4.212) 13.140 7.914 ( 8.923 0.000 6.894) 11.276 8.171 ( 6.870 -0.000 -4.351) 8.132 8.614 ( 9.839 -0.000 -8.439) 12.962 9.446 ( 5.245 0.000 6.253) 8.161 9.535 ( -2.445 -0.000 -2.954) 3.834 10.268 ( 2.493 -0.000 -4.830) 5.435 11.909 ( 7.337 -0.000 -1.613) 7.513 12.271 ( -2.839 0.000 19.348) 19.556 12.856 ( -1.435 -0.000 -12.547) 12.629 14.500 ( 2.887 -0.000 -0.612) 2.951 18.090 ( 9.203 0.000 1.131) 9.272 23.099 ( 0.976 0.000 -0.005) 0.976 23.147 ( -9.019 -0.000 -3.869) 9.813 29.538 ( 2.572 0.000 -0.019) 2.572 44.045 ( -1.128 -0.000 0.178) 1.142 ======================= Grid point 72 (58/290) ======================= q-point: ( 0.04 -0.04 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 8.343 1.075 -0.000) 8.412 3.971 ( -4.542 0.478 0.000) 4.567 3.995 ( -5.227 1.353 0.000) 5.399 4.609 ( 5.725 -0.622 -0.000) 5.758 4.626 ( -3.466 -4.973 -0.000) 6.062 5.160 ( 4.513 3.614 -0.000) 5.782 6.027 ( -4.720 -11.976 -0.000) 12.873 7.152 ( -7.118 12.801 0.000) 14.646 7.684 ( -1.762 -1.790 0.000) 2.511 9.031 ( -8.704 1.000 0.000) 8.761 9.429 ( 2.784 1.010 -0.000) 2.962 9.922 ( -7.735 -4.605 0.000) 9.002 12.037 ( -2.810 12.015 0.000) 12.339 12.108 ( -4.615 -1.376 0.000) 4.816 12.751 ( -5.370 -6.320 0.000) 8.294 15.896 ( -5.718 0.317 0.000) 5.727 17.239 ( 14.306 0.017 -0.000) 14.306 20.983 ( 1.132 -0.015 -0.000) 1.132 21.908 ( 1.324 0.064 -0.000) 1.325 30.041 ( -5.104 -0.457 0.000) 5.125 43.627 ( -3.092 -0.012 0.000) 3.092 ======================= Grid point 73 (59/290) ======================= q-point: ( 0.04 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( -1.758 -4.654 -0.000) 4.975 3.883 ( -0.649 -4.168 -0.000) 4.218 3.887 ( -0.180 -2.577 -0.000) 2.583 4.596 ( 4.522 1.126 -0.000) 4.660 4.668 ( 0.149 -0.133 -0.000) 0.200 5.280 ( -3.124 7.157 0.000) 7.809 6.084 ( 11.337 10.734 -0.000) 15.612 7.164 ( -11.707 8.359 0.000) 14.385 7.692 ( 1.672 2.591 0.000) 3.084 9.105 ( -2.087 16.558 0.000) 16.689 9.469 ( -0.909 1.092 0.000) 1.421 9.887 ( 5.258 4.912 -0.000) 7.195 11.851 ( -9.166 -12.508 -0.000) 15.507 12.103 ( 1.329 4.451 0.000) 4.645 12.841 ( 3.756 11.359 0.000) 11.964 15.589 ( -0.351 -24.143 -0.000) 24.145 17.406 ( -0.016 1.833 0.000) 1.833 21.163 ( 0.022 16.225 0.000) 16.225 21.965 ( -0.112 4.465 0.000) 4.466 29.984 ( 0.418 -0.463 -0.000) 0.623 43.616 ( 0.010 2.180 0.000) 2.180 ======================= Grid point 74 (60/290) ======================= q-point: ( 0.54 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.000 7.475 -0.000) 7.475 2.786 ( 0.000 8.166 0.000) 8.166 3.772 ( 0.000 -0.029 0.000) 0.029 4.065 ( 0.000 1.707 -0.000) 1.707 5.153 ( 0.000 -1.726 -0.000) 1.726 6.140 ( 0.000 -3.235 0.000) 3.235 7.991 ( 0.000 -1.838 0.000) 1.838 8.055 ( 0.000 -15.121 -0.000) 15.121 8.929 ( 0.000 16.573 0.000) 16.573 9.091 ( 0.000 -24.073 -0.000) 24.073 9.759 ( 0.000 8.902 -0.000) 8.902 10.356 ( 0.000 5.725 -0.000) 5.725 11.964 ( 0.000 -1.372 -0.000) 1.372 12.390 ( 0.000 14.366 0.000) 14.366 12.754 ( 0.000 -9.072 -0.000) 9.072 14.428 ( 0.000 -10.079 -0.000) 10.079 18.107 ( 0.000 -7.820 -0.000) 7.820 22.986 ( 0.000 -6.726 -0.000) 6.726 23.038 ( 0.000 -7.286 -0.000) 7.286 29.609 ( 0.000 4.236 -0.000) 4.236 44.010 ( 0.000 -2.193 -0.000) 2.193 ======================= Grid point 76 (61/290) ======================= q-point: ( 0.54 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -2.760 12.375 -1.553) 12.774 3.016 ( 1.116 13.141 2.374) 13.400 3.668 ( -9.474 1.668 1.476) 9.732 4.100 ( -1.481 3.801 -0.865) 4.170 5.171 ( 5.928 -3.679 -5.853) 9.107 5.920 ( -12.135 -5.913 3.730) 14.005 7.577 ( -13.195 -20.453 -6.557) 25.208 7.889 ( -4.826 -3.361 6.007) 8.406 8.586 ( -0.204 -23.541 1.917) 23.620 9.170 ( -8.959 16.410 -2.602) 18.877 9.854 ( -1.905 1.959 0.369) 2.757 10.476 ( -0.535 6.673 5.688) 8.784 11.974 ( 2.010 1.325 4.651) 5.237 12.439 ( -2.365 -11.032 -21.582) 24.354 12.839 ( 4.450 19.464 13.880) 24.317 14.145 ( -1.600 -15.751 1.463) 15.900 17.798 ( -11.141 -11.488 -0.436) 16.009 22.832 ( 0.442 -13.712 -0.064) 13.719 22.880 ( 7.340 -12.445 2.792) 14.715 29.708 ( -0.623 7.014 -0.473) 7.058 43.966 ( 1.519 -3.750 -0.127) 4.048 ======================= Grid point 77 (62/290) ======================= q-point: ( 0.04 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -7.434 -7.098 0.000) 10.278 3.773 ( 2.737 -9.676 -0.000) 10.055 3.835 ( 0.744 -6.162 -0.000) 6.207 4.580 ( -5.723 -2.589 0.000) 6.282 4.831 ( 11.378 4.848 -0.000) 12.368 5.303 ( -11.645 10.444 0.000) 15.642 6.756 ( 16.171 21.934 0.000) 27.251 7.013 ( -15.887 6.389 0.000) 17.123 7.828 ( 3.501 5.096 0.000) 6.183 9.427 ( -5.404 1.005 0.000) 5.496 9.444 ( 0.182 16.669 0.000) 16.670 10.326 ( 14.029 16.577 -0.000) 21.717 11.379 ( -5.651 -18.271 -0.000) 19.125 12.348 ( 7.183 11.790 0.000) 13.806 13.141 ( 3.314 9.989 0.000) 10.524 14.984 ( 2.874 -39.466 -0.000) 39.571 17.316 ( -13.900 4.114 0.000) 14.496 21.577 ( 0.579 24.534 0.000) 24.540 22.095 ( 0.489 9.298 0.000) 9.311 30.023 ( 4.802 -1.826 -0.000) 5.138 43.706 ( 2.787 3.781 0.000) 4.697 ======================= Grid point 78 (63/290) ======================= q-point: ( 0.04 -0.04 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -6.702 -6.892 0.000) 9.613 3.586 ( 2.999 -16.875 -0.000) 17.140 3.633 ( -5.427 -10.161 -0.000) 11.520 4.373 ( -7.987 -3.073 0.000) 8.558 5.084 ( -11.276 4.945 0.000) 12.313 5.293 ( 3.443 11.155 0.000) 11.674 6.816 ( -15.850 8.422 0.000) 17.949 7.352 ( 6.004 11.489 0.000) 12.963 8.024 ( 3.248 8.036 0.000) 8.668 9.277 ( -10.844 0.855 0.000) 10.878 9.705 ( 2.796 6.253 0.000) 6.849 10.927 ( -3.127 -18.828 -0.000) 19.086 10.934 ( 8.799 18.058 0.000) 20.087 12.830 ( 8.611 18.422 0.000) 20.335 13.337 ( 2.394 3.760 0.000) 4.457 14.204 ( 2.764 -45.509 -0.000) 45.593 17.030 ( -23.968 8.170 0.000) 25.323 22.105 ( 2.633 25.042 0.000) 25.180 22.378 ( 4.491 14.807 0.000) 15.473 30.072 ( 6.443 -6.162 -0.000) 8.915 43.860 ( 4.020 4.137 -0.000) 5.769 ======================= Grid point 79 (64/290) ======================= q-point: ( 0.54 -0.04 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -7.606 12.600 -6.396) 16.048 3.286 ( -1.184 11.335 6.842) 13.293 3.580 ( -5.874 10.587 4.945) 13.078 4.154 ( -2.915 5.712 -1.901) 6.688 5.197 ( 2.870 -6.254 -12.239) 14.041 5.471 ( -15.791 -5.935 9.073) 19.154 6.750 ( -19.390 -23.991 -10.637) 32.629 7.719 ( -6.080 -1.200 2.637) 6.735 8.249 ( 2.284 -14.092 6.979) 15.891 9.213 ( -11.758 10.892 -1.311) 16.081 9.763 ( -5.822 -1.134 -3.356) 6.815 10.550 ( -0.212 1.226 0.844) 1.503 11.939 ( -0.090 -9.608 24.335) 26.163 12.437 ( 16.049 2.268 -20.257) 25.944 13.372 ( -2.751 24.577 -0.756) 24.742 13.851 ( 1.885 -5.864 6.952) 9.288 17.222 ( -22.069 -11.639 -0.328) 24.952 22.538 ( 2.438 -19.356 -0.223) 19.511 22.774 ( 10.236 -17.919 3.910) 21.004 29.878 ( 2.361 8.937 -1.614) 9.384 43.935 ( 3.034 -4.007 -0.251) 5.032 ======================= Grid point 80 (65/290) ======================= q-point: ( 0.54 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -11.305 12.996 -12.876) 21.506 3.382 ( -3.408 6.520 14.715) 16.452 3.830 ( -3.755 16.741 3.565) 17.523 4.145 ( -7.887 3.312 -0.711) 8.584 4.871 ( -15.132 -2.663 4.635) 16.049 5.328 ( 7.427 -6.190 -6.740) 11.785 6.132 ( -6.082 -6.075 -17.191) 19.221 7.634 ( -2.622 2.314 1.641) 3.863 8.069 ( 0.454 -8.049 9.987) 12.835 9.138 ( -11.470 5.720 3.522) 13.292 9.695 ( 1.524 2.477 -12.102) 12.446 10.572 ( 3.056 0.278 -4.783) 5.683 11.776 ( 3.286 -9.605 25.359) 27.315 12.986 ( 21.746 7.152 0.254) 22.893 13.306 ( -3.869 -5.532 -7.258) 9.912 14.406 ( 4.852 40.634 5.238) 41.256 16.465 ( -29.775 -9.972 0.110) 31.401 22.166 ( 3.746 -25.742 -0.292) 26.015 22.572 ( 7.930 -22.451 3.246) 24.031 30.158 ( 7.207 9.351 -2.866) 12.149 43.940 ( 4.012 -2.950 -0.283) 4.988 ======================= Grid point 81 (66/290) ======================= q-point: ( 0.04 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -10.189 -7.274 0.000) 12.519 3.186 ( -3.243 -24.732 -0.000) 24.944 3.246 ( -7.357 -12.229 -0.000) 14.271 4.145 ( -8.860 -2.602 0.000) 9.234 4.668 ( -31.905 2.295 0.000) 31.987 5.713 ( 14.091 8.288 -0.000) 16.348 6.703 ( -14.424 11.389 0.000) 18.378 7.453 ( -1.812 -2.708 -0.000) 3.259 8.244 ( -0.343 9.842 0.000) 9.848 9.024 ( -14.775 1.287 0.000) 14.831 9.775 ( 3.635 -6.365 -0.000) 7.330 10.498 ( -4.211 -17.953 -0.000) 18.440 11.324 ( 0.293 10.484 0.000) 10.488 13.275 ( -2.705 13.686 0.000) 13.950 13.383 ( 0.805 -2.373 -0.000) 2.506 13.384 ( 2.853 -38.260 -0.000) 38.367 16.719 ( -26.982 16.050 0.000) 31.395 22.619 ( 4.542 18.878 0.000) 19.417 22.853 ( 9.778 18.084 0.000) 20.558 30.018 ( 6.151 -13.024 -0.000) 14.404 44.013 ( 3.279 3.417 -0.000) 4.736 ======================= Grid point 82 (67/290) ======================= q-point: ( 0.04 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -22.293 -15.385 0.000) 27.087 2.487 ( -13.038 -28.718 -0.000) 31.539 3.029 ( 0.985 -4.406 -0.000) 4.514 3.870 ( -42.146 -5.993 0.000) 42.570 3.895 ( -10.432 -2.501 0.000) 10.728 6.153 ( 12.732 7.538 -0.000) 14.796 6.628 ( -14.521 11.206 0.000) 18.342 7.277 ( -3.889 -7.150 -0.000) 8.139 8.336 ( -5.243 3.355 0.000) 6.225 8.805 ( -12.045 8.342 0.000) 14.652 9.604 ( 3.314 -18.238 -0.000) 18.537 10.037 ( -6.858 -17.512 -0.000) 18.807 11.219 ( -12.791 -10.916 0.000) 16.816 12.818 ( 4.347 -17.929 -0.000) 18.448 13.291 ( -1.474 -5.720 -0.000) 5.907 13.363 ( -14.460 8.713 0.000) 16.882 16.609 ( -25.078 28.652 0.000) 38.076 22.991 ( 6.037 7.139 -0.000) 9.349 23.444 ( 13.194 16.727 -0.000) 21.304 29.817 ( 6.435 -20.695 -0.000) 21.672 44.121 ( 1.320 2.831 0.000) 3.123 ======================= Grid point 83 (68/290) ======================= q-point: ( 0.54 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -8.296 13.721 -16.555) 23.047 3.425 ( -5.552 5.901 15.371) 17.376 3.780 ( -19.535 5.251 6.121) 21.135 3.912 ( -16.168 -1.547 -1.217) 16.287 4.867 ( 6.967 9.873 9.014) 15.076 5.383 ( 8.950 -6.580 -10.256) 15.119 6.307 ( 11.179 13.643 -20.887) 27.338 7.697 ( 2.335 3.814 5.000) 6.708 7.973 ( 1.665 -2.457 7.290) 7.871 8.954 ( -15.005 4.014 2.597) 15.748 9.944 ( 8.958 8.286 -16.238) 20.312 10.758 ( 13.029 3.150 -0.060) 13.405 11.657 ( 1.991 -9.564 22.496) 24.526 13.012 ( -0.239 -6.484 -0.238) 6.493 13.793 ( 24.804 12.710 1.447) 27.908 15.305 ( -8.158 33.988 -0.300) 34.954 15.728 ( -18.541 5.907 2.524) 19.622 21.678 ( 2.753 -30.928 -0.106) 31.051 22.231 ( 2.835 -22.972 1.437) 23.191 30.515 ( 10.322 7.683 -3.225) 13.265 43.986 ( 4.314 -1.154 -0.183) 4.469 ======================= Grid point 84 (69/290) ======================= q-point: ( 0.54 -0.04 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -13.098 3.986 -4.754) 14.493 3.208 ( -16.537 9.552 -7.408) 20.484 3.504 ( -12.807 -4.715 3.951) 14.208 3.644 ( -3.722 4.465 10.796) 12.261 5.260 ( 9.080 8.598 10.193) 16.132 5.427 ( 6.689 -5.107 -12.316) 14.916 6.832 ( 13.533 8.567 -13.684) 21.066 7.852 ( 5.198 3.392 6.096) 8.700 8.086 ( 6.433 4.588 2.291) 8.227 8.691 ( -16.161 2.079 -0.373) 16.298 10.230 ( 0.856 8.680 -11.435) 14.382 11.236 ( 24.894 3.270 3.190) 25.310 11.468 ( -1.175 -9.395 11.627) 14.995 12.969 ( 1.507 -0.712 0.890) 1.890 14.514 ( 21.179 9.399 3.339) 23.410 14.795 ( -28.405 -3.382 -0.311) 28.608 16.494 ( 9.148 36.950 1.023) 38.079 21.118 ( 0.228 -27.060 0.125) 27.061 21.851 ( -1.034 -15.841 -0.009) 15.874 30.847 ( 9.553 4.344 -2.166) 10.715 44.064 ( 3.799 0.155 -0.063) 3.803 ======================= Grid point 85 (70/290) ======================= q-point: ( 0.04 -0.04 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -27.698 -16.212 0.000) 32.094 1.575 ( -21.852 -26.280 0.000) 34.178 2.700 ( -53.306 -11.795 0.000) 54.596 3.030 ( 2.780 -0.835 -0.000) 2.903 3.635 ( -10.280 -1.417 0.000) 10.377 6.426 ( -10.827 13.959 0.000) 17.666 6.637 ( 5.696 4.291 -0.000) 7.132 7.074 ( -2.997 -5.216 -0.000) 6.016 8.170 ( -8.958 -2.034 0.000) 9.186 8.883 ( -5.830 15.679 0.000) 16.727 9.202 ( 2.268 -29.391 -0.000) 29.478 9.554 ( -6.408 -16.927 -0.000) 18.100 10.536 ( -17.801 -18.014 0.000) 25.325 12.750 ( 0.164 -0.166 -0.000) 0.233 13.132 ( -2.811 -4.963 -0.000) 5.704 13.140 ( -13.990 2.831 0.000) 14.273 16.822 ( -24.069 46.474 0.000) 52.337 23.112 ( 7.635 -10.389 -0.000) 12.893 23.991 ( 12.570 10.352 -0.000) 16.284 29.486 ( 7.770 -28.339 -0.000) 29.385 44.190 ( -0.405 3.781 0.000) 3.802 ======================= Grid point 86 (71/290) ======================= q-point: ( 0.04 -0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -31.863 -0.000 0.000) 31.863 0.675 ( -31.424 -0.000 0.000) 31.424 1.318 ( -62.957 -0.000 0.000) 62.957 3.071 ( 1.621 0.000 -0.000) 1.621 3.445 ( -6.473 -0.000 0.000) 6.473 6.437 ( -8.272 -0.000 0.000) 8.272 6.854 ( 8.218 0.000 -0.000) 8.218 6.979 ( -1.041 -0.000 0.000) 1.041 7.979 ( -6.194 -0.000 0.000) 6.194 8.639 ( -7.623 -0.000 0.000) 7.623 9.048 ( -3.796 -0.000 0.000) 3.796 9.191 ( -2.541 -0.000 0.000) 2.541 10.035 ( -10.769 -0.000 0.000) 10.769 12.657 ( -8.811 -0.000 0.000) 8.811 13.025 ( -1.886 -0.000 0.000) 1.886 13.034 ( 0.002 0.000 -0.000) 0.002 17.377 ( -0.733 -0.000 0.000) 0.733 22.904 ( -1.060 -0.000 0.000) 1.060 24.310 ( 7.479 0.000 -0.000) 7.479 29.090 ( -2.057 -0.000 0.000) 2.057 44.260 ( 0.792 0.000 -0.000) 0.792 ======================= Grid point 87 (72/290) ======================= q-point: ( 0.54 -0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -17.495 -0.000 0.000) 17.495 3.150 ( -8.716 -0.000 -0.000) 8.716 3.295 ( -1.961 -0.000 -0.000) 1.961 3.671 ( -0.238 -0.000 -0.000) 0.238 5.455 ( 3.173 -0.000 -0.000) 3.173 5.511 ( 4.573 0.000 0.000) 4.573 7.178 ( 12.904 -0.000 -0.000) 12.904 7.985 ( 3.109 -0.000 -0.000) 3.109 8.308 ( 6.342 -0.000 -0.000) 6.342 8.369 ( -15.166 -0.000 -0.000) 15.166 10.296 ( -2.806 -0.000 0.000) 2.806 11.328 ( -1.130 -0.000 -0.000) 1.130 11.782 ( 21.062 -0.000 -0.000) 21.062 12.965 ( -2.262 -0.000 -0.000) 2.262 14.253 ( -17.270 -0.000 -0.000) 17.270 14.998 ( 12.854 -0.000 0.000) 12.854 17.083 ( 6.613 -0.000 -0.000) 6.613 20.799 ( -0.772 -0.000 -0.000) 0.772 21.654 ( -1.336 -0.000 -0.000) 1.336 31.050 ( 5.518 -0.000 -0.000) 5.518 44.132 ( 2.155 -0.000 -0.000) 2.155 ======================= Grid point 89 (73/290) ======================= q-point: ( 0.30 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 9.767 3.556) 10.395 3.039 ( 0.000 7.986 16.291) 18.143 3.151 ( -0.000 -2.719 -2.089) 3.429 3.424 ( -0.000 17.536 -21.603) 27.824 4.897 ( 0.000 20.176 14.105) 24.617 5.972 ( -0.000 -7.935 -10.281) 12.987 7.346 ( 0.000 -8.247 10.875) 13.649 7.613 ( 0.000 20.838 3.112) 21.069 8.026 ( -0.000 12.763 -26.992) 29.858 8.442 ( -0.000 4.497 -5.023) 6.742 10.149 ( -0.000 10.888 -12.607) 16.658 11.278 ( 0.000 -10.607 28.439) 30.353 11.734 ( 0.000 12.576 1.596) 12.677 12.899 ( -0.000 2.165 -1.532) 2.652 14.184 ( -0.000 -4.831 -0.097) 4.832 14.536 ( 0.000 22.519 5.591) 23.202 15.635 ( 0.000 59.161 2.895) 59.232 21.812 ( -0.000 -36.924 -0.309) 36.926 22.304 ( -0.000 -29.538 1.915) 29.600 31.043 ( -0.000 5.297 -4.640) 7.042 44.114 ( 0.000 1.934 -0.027) 1.934 ======================= Grid point 90 (74/290) ======================= q-point: (-0.20 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.000 -22.811 -13.506) 26.510 1.558 ( -0.000 -30.487 -12.513) 32.955 2.578 ( -0.000 -40.781 -23.128) 46.883 3.181 ( -0.000 -9.198 -2.700) 9.586 3.291 ( 0.000 1.619 4.305) 4.599 6.192 ( -0.000 -21.086 -3.323) 21.346 6.465 ( 0.000 2.891 21.540) 21.733 7.093 ( 0.000 -9.098 9.714) 13.309 7.982 ( 0.000 -7.681 8.048) 11.124 8.085 ( 0.000 7.756 22.467) 23.768 9.227 ( 0.000 -21.265 22.801) 31.178 10.822 ( -0.000 -32.509 -13.648) 35.258 10.938 ( -0.000 -10.803 -3.691) 11.417 12.917 ( -0.000 -13.485 -2.274) 13.675 12.995 ( -0.000 0.282 -14.084) 14.087 13.821 ( -0.000 18.254 -53.558) 56.583 14.446 ( 0.000 3.027 -0.015) 3.027 23.268 ( 0.000 6.059 12.406) 13.806 24.433 ( -0.000 41.174 -32.320) 52.343 30.492 ( 0.000 -15.849 25.306) 29.859 43.980 ( -0.000 -1.911 0.003) 1.911 ======================= Grid point 91 (75/290) ======================= q-point: (-0.20 -0.05 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 16.061 -18.995 -18.886) 31.232 1.295 ( 24.939 -20.004 -17.924) 36.652 2.055 ( 30.596 -28.668 -35.370) 54.855 3.062 ( -1.942 -2.137 2.183) 3.620 3.406 ( 7.854 -0.083 4.188) 8.901 6.033 ( 12.338 0.762 8.505) 15.005 6.475 ( 1.426 0.649 15.931) 16.008 6.992 ( 3.828 -6.328 7.938) 10.849 7.771 ( -1.831 -11.680 13.430) 17.892 8.345 ( 18.461 -1.290 16.077) 24.514 8.918 ( 4.874 -11.618 18.208) 22.142 10.334 ( 2.128 -16.792 -9.945) 19.632 10.494 ( -14.963 -14.089 -26.292) 33.371 12.628 ( -0.089 -8.983 -1.652) 9.134 13.011 ( 1.150 0.660 1.577) 2.060 13.692 ( -20.810 7.795 -39.035) 44.918 15.981 ( 51.128 56.433 -2.003) 76.176 23.133 ( -4.700 -12.776 10.857) 17.412 24.968 ( -30.583 35.022 -46.223) 65.562 29.675 ( -18.463 -39.098 15.772) 46.025 44.064 ( 6.608 2.546 4.097) 8.181 ======================= Grid point 92 (76/290) ======================= q-point: ( 0.30 -0.05 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 18.428 5.354 1.511) 19.249 3.106 ( 1.795 -0.414 13.510) 13.635 3.194 ( 8.607 -2.252 -1.232) 8.982 3.790 ( 0.538 15.952 -20.971) 26.354 5.096 ( -4.096 5.245 15.898) 17.235 5.817 ( -5.039 -2.989 -11.398) 12.816 7.130 ( -5.133 -7.445 8.054) 12.110 7.895 ( -5.338 14.205 1.767) 15.277 8.230 ( -2.830 5.825 -11.274) 13.001 8.539 ( 6.444 1.214 -7.446) 9.922 10.354 ( 3.693 1.946 -8.641) 9.597 11.105 ( 0.776 -2.878 22.750) 22.944 11.715 ( -19.307 7.022 0.046) 20.544 12.984 ( 1.535 3.156 -3.821) 5.188 14.294 ( 17.626 -3.656 -0.296) 18.003 14.796 ( -11.249 14.553 3.889) 18.801 16.624 ( -5.078 42.140 0.882) 42.454 21.121 ( -0.278 -29.517 0.111) 29.519 21.835 ( 0.530 -17.295 0.006) 17.303 31.053 ( -5.786 1.983 -1.906) 6.407 44.124 ( -1.889 0.779 -0.028) 2.044 ======================= Grid point 93 (77/290) ======================= q-point: ( 0.30 -0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 5.633 -5.557 10.234) 12.936 3.249 ( 25.534 -0.045 1.622) 25.586 3.435 ( 15.181 1.299 -0.412) 15.242 4.012 ( -1.511 7.433 -22.846) 24.073 5.017 ( -7.064 0.644 19.272) 20.536 5.604 ( -10.121 -3.378 -9.433) 14.242 6.812 ( -8.048 -12.675 7.940) 16.985 7.979 ( -6.790 6.543 -6.951) 11.715 8.128 ( -8.376 1.062 0.772) 8.478 8.763 ( 12.246 -0.169 -4.583) 13.077 10.234 ( -4.082 -11.738 7.292) 14.409 11.281 ( -18.540 4.551 -1.144) 19.125 11.355 ( 0.842 10.135 0.997) 10.218 12.993 ( -5.372 0.940 -2.306) 5.921 14.608 ( -21.946 3.375 -0.092) 22.204 14.757 ( 28.721 -0.237 0.241) 28.723 16.888 ( -11.614 0.710 0.189) 11.637 20.822 ( 1.509 0.204 -0.010) 1.523 21.693 ( 2.400 -0.351 0.012) 2.426 30.889 ( -9.777 -1.948 -0.008) 9.970 44.066 ( -4.167 -0.053 -0.002) 4.168 ======================= Grid point 94 (78/290) ======================= q-point: (-0.20 -0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 21.994 -0.000 -14.858) 26.543 1.547 ( 26.175 -0.000 -20.267) 33.104 2.786 ( 52.280 -0.000 -19.556) 55.818 2.996 ( -2.717 0.000 2.668) 3.808 3.590 ( 10.413 0.000 3.103) 10.865 6.255 ( -0.779 0.000 29.347) 29.357 6.741 ( 15.042 -0.000 -6.037) 16.208 7.014 ( 5.944 0.000 6.035) 8.471 7.662 ( 8.404 0.000 18.802) 20.594 8.783 ( 22.694 0.000 6.745) 23.675 8.983 ( 8.113 0.000 16.015) 17.953 9.941 ( -13.700 -0.000 -38.324) 40.699 10.440 ( 17.241 -0.000 -8.114) 19.055 12.637 ( 6.371 0.000 9.352) 11.316 13.023 ( -2.139 -0.000 -0.838) 2.298 13.569 ( 2.705 -0.000 -25.609) 25.752 17.179 ( 11.428 0.000 18.241) 21.525 22.934 ( 1.898 0.000 0.024) 1.899 24.553 ( -30.776 -0.000 -36.163) 47.486 29.156 ( 3.813 0.000 -0.360) 3.830 44.176 ( 0.945 0.000 4.799) 4.891 ======================= Grid point 96 (79/290) ======================= q-point: (-0.70 -0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 8.988 -10.536 9.857) 16.998 3.732 ( 17.512 -1.439 -5.908) 18.537 3.841 ( 19.012 1.576 1.214) 19.116 4.059 ( 2.887 -0.092 -17.466) 17.703 4.860 ( -10.613 1.713 16.739) 19.893 5.311 ( -9.104 -3.507 -5.247) 11.078 6.276 ( -11.788 -19.082 12.618) 25.735 7.825 ( -4.434 -5.617 -0.346) 7.164 8.130 ( -5.557 11.413 -15.058) 19.695 9.010 ( 13.417 -1.625 2.177) 13.689 9.833 ( -11.498 -11.209 11.396) 19.690 10.786 ( -21.398 -0.738 0.806) 21.426 11.807 ( 7.180 14.542 -14.159) 21.529 12.858 ( -7.768 2.583 4.322) 9.257 14.024 ( -30.013 -5.418 -2.199) 30.577 15.458 ( 34.434 1.137 0.351) 34.455 16.299 ( -10.888 -30.096 -0.699) 32.013 21.118 ( 0.160 23.900 -0.050) 23.901 21.877 ( 1.453 13.258 -0.014) 13.338 30.596 ( -11.047 -5.160 1.131) 12.245 43.968 ( -5.315 0.551 0.046) 5.344 ======================= Grid point 97 (80/290) ======================= q-point: (-0.70 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 12.771 -11.806 7.531) 18.953 3.804 ( -0.192 -5.079 -15.353) 16.172 4.094 ( 6.237 -5.659 0.483) 8.435 4.223 ( 10.365 -5.855 -0.920) 11.939 4.732 ( -4.289 6.641 8.603) 11.683 5.206 ( 1.746 2.604 -1.946) 3.690 5.804 ( -1.779 -7.499 13.951) 15.939 7.680 ( -0.198 -3.410 1.208) 3.623 8.255 ( -5.823 11.257 -22.147) 25.517 9.262 ( 12.821 -0.710 2.016) 12.998 9.434 ( -6.532 -5.444 14.708) 16.989 10.443 ( -13.150 2.666 3.821) 13.951 12.098 ( -2.448 9.872 -24.934) 26.929 12.917 ( 1.897 10.653 12.942) 16.869 13.229 ( -30.757 -9.998 -1.966) 32.401 15.287 ( -6.311 -41.393 -1.111) 41.886 16.318 ( 30.578 5.783 -0.290) 31.122 21.626 ( -2.044 28.120 0.056) 28.194 22.194 ( -2.779 18.963 -0.729) 19.180 30.267 ( -8.826 -6.605 1.502) 11.126 43.885 ( -5.067 2.258 0.089) 5.548 ======================= Grid point 98 (81/290) ======================= q-point: (-0.20 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 11.267 18.379 3.724) 21.877 2.880 ( 10.872 7.667 -9.950) 16.613 3.040 ( 5.491 12.080 -0.962) 13.305 4.027 ( 7.631 4.088 4.881) 9.938 4.801 ( 35.508 -1.657 -7.605) 36.351 5.757 ( -13.251 -5.577 9.173) 17.054 6.942 ( 18.909 -19.530 4.181) 27.503 7.450 ( 7.849 3.710 -5.521) 10.288 8.346 ( 7.974 -4.281 5.654) 10.671 8.957 ( 9.862 -0.585 9.061) 13.405 9.655 ( 6.667 4.901 0.189) 8.277 10.239 ( 1.717 14.706 -9.585) 17.637 11.567 ( 8.321 4.291 -11.657) 14.951 12.789 ( -3.657 18.264 -6.178) 19.624 13.047 ( -1.449 2.373 19.838) 20.032 13.814 ( 8.112 -11.517 -12.165) 18.613 17.070 ( 22.203 -20.058 1.613) 29.965 22.890 ( -2.607 -9.779 0.672) 10.143 23.259 ( -14.876 -15.848 -7.900) 23.128 29.721 ( -1.301 14.553 1.524) 14.690 44.069 ( -2.469 -2.822 0.676) 3.810 ======================= Grid point 99 (82/290) ======================= q-point: (-0.20 -0.05 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 2.063 10.369 0.121) 10.573 3.186 ( 5.705 14.272 -0.118) 15.371 3.486 ( 7.432 11.396 -4.200) 14.239 4.240 ( 5.257 4.376 5.459) 8.751 5.276 ( 4.673 -4.825 -7.874) 10.350 5.418 ( 6.673 -9.045 7.580) 13.558 6.952 ( 18.828 -18.256 9.477) 27.886 7.602 ( 3.696 -2.586 -8.820) 9.906 8.201 ( -1.765 -13.956 1.622) 14.161 9.261 ( 11.839 3.827 3.341) 12.883 9.788 ( 2.794 -0.968 -0.783) 3.059 10.546 ( 1.623 12.605 0.650) 12.726 11.480 ( -3.480 -13.129 -19.554) 23.809 12.868 ( -8.701 -7.143 21.866) 24.594 13.379 ( 1.334 34.918 0.110) 34.944 13.652 ( 0.821 -11.088 -12.979) 17.090 17.228 ( 21.833 -12.130 0.181) 24.977 22.542 ( -2.629 -19.402 0.183) 19.580 22.704 ( -8.159 -15.908 -2.789) 18.095 29.907 ( -3.278 9.213 1.151) 9.847 43.940 ( -3.237 -4.128 0.190) 5.249 ======================= Grid point 100 (83/290) ======================= q-point: (-0.70 -0.05 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 12.583 -11.726 4.926) 17.891 3.639 ( -2.306 -9.707 -7.598) 12.541 3.871 ( -3.095 -11.279 -1.383) 11.777 4.274 ( 4.597 -4.309 -2.834) 6.909 4.847 ( -0.526 5.794 10.266) 11.800 5.483 ( 12.044 8.039 -5.274) 15.411 6.077 ( 16.480 18.377 11.503) 27.233 7.700 ( 3.826 1.617 0.309) 4.165 8.277 ( -11.300 10.056 -16.609) 22.465 9.329 ( 7.641 -4.883 5.192) 10.449 9.621 ( 13.795 4.451 4.611) 15.210 10.360 ( -6.936 10.751 5.340) 13.864 12.181 ( -8.742 7.588 -18.664) 21.962 12.422 ( -22.145 -9.204 -0.333) 23.983 13.258 ( 6.149 11.611 10.028) 16.528 14.374 ( -6.395 -36.141 -3.177) 36.840 17.031 ( 23.958 7.836 0.012) 25.207 22.098 ( -2.426 24.839 0.110) 24.958 22.463 ( -6.874 18.491 -1.411) 19.777 29.999 ( -4.335 -6.572 1.173) 7.960 43.853 ( -3.762 3.934 0.093) 5.444 ======================= Grid point 101 (84/290) ======================= q-point: (-0.70 -0.05 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 5.947 -13.228 1.494) 14.580 3.332 ( -2.935 -14.405 -1.572) 14.785 3.692 ( 1.412 -5.263 2.738) 6.099 4.300 ( 4.427 -2.288 -10.947) 12.028 4.907 ( -1.373 3.144 11.695) 12.188 5.891 ( 8.083 10.003 -6.106) 14.236 6.953 ( 19.369 24.438 9.563) 32.616 7.892 ( 5.331 8.203 -4.051) 10.589 8.251 ( -11.225 13.106 -4.986) 17.962 9.400 ( 8.704 -6.844 2.977) 11.466 9.909 ( 6.373 0.765 -4.168) 7.654 10.564 ( 1.925 10.267 -0.840) 10.479 11.648 ( -18.854 -7.164 20.354) 28.654 12.441 ( 3.653 7.381 -20.342) 21.946 13.413 ( 1.386 -14.814 -0.871) 14.905 13.826 ( -4.464 4.198 2.790) 6.733 17.583 ( 12.539 9.638 0.133) 15.816 22.499 ( -1.101 20.020 0.060) 20.050 22.643 ( -7.066 15.431 -1.296) 17.021 29.829 ( -0.437 -6.198 0.515) 6.235 43.881 ( -1.829 4.638 0.054) 4.986 ======================= Grid point 102 (85/290) ======================= q-point: (-0.20 -0.05 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 3.755 10.149 -1.660) 10.948 3.520 ( 1.736 12.163 1.167) 12.342 3.744 ( 0.877 6.747 -2.864) 7.382 4.416 ( 2.606 4.707 7.599) 9.311 4.981 ( -9.085 -5.619 -2.999) 11.095 5.544 ( 12.677 -11.832 -1.063) 17.374 7.015 ( 13.835 -13.186 11.433) 22.271 7.364 ( -4.776 -20.914 -11.609) 24.392 7.888 ( -3.738 -7.762 5.040) 9.982 9.505 ( 7.800 0.099 -4.671) 9.092 9.750 ( 3.451 -9.174 -1.467) 9.910 10.608 ( -9.255 -10.372 7.002) 15.565 11.229 ( 3.366 1.910 -17.778) 18.194 12.439 ( -10.817 -11.425 16.915) 23.101 13.423 ( 0.820 -12.606 -6.939) 14.413 14.173 ( -1.172 42.406 -0.443) 42.425 17.422 ( 13.298 -6.856 -0.030) 14.961 22.064 ( -1.292 -24.404 0.058) 24.438 22.317 ( -2.291 -12.694 -0.651) 12.916 29.960 ( -3.438 4.159 0.548) 5.424 43.790 ( -2.423 -4.706 0.039) 5.293 ======================= Grid point 103 (86/290) ======================= q-point: (-0.20 -0.05 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 0.932 8.763 -0.068) 8.812 3.758 ( 1.303 8.507 0.079) 8.607 3.829 ( 0.379 3.440 -0.934) 3.585 4.497 ( -2.698 3.784 5.968) 7.564 4.775 ( -2.045 -3.935 -5.002) 6.685 5.471 ( 3.384 -11.565 -0.037) 12.050 6.516 ( -18.756 -18.072 -12.391) 28.843 7.231 ( 19.034 -15.556 14.388) 28.484 7.718 ( -1.906 -4.719 3.416) 6.130 9.529 ( -1.713 -10.866 -4.378) 11.840 9.644 ( 11.021 -11.316 -8.689) 18.028 9.999 ( -13.539 -13.044 3.456) 19.115 11.610 ( 12.775 12.377 -3.443) 18.117 12.094 ( -4.628 -6.474 12.218) 14.581 13.155 ( -1.876 -13.797 -5.290) 14.895 14.961 ( 0.718 38.018 0.248) 38.025 17.462 ( 0.022 -3.900 -0.008) 3.900 21.571 ( -0.040 -23.964 0.006) 23.964 22.095 ( 0.309 -8.750 -0.001) 8.755 29.965 ( -0.535 1.549 -0.002) 1.638 43.677 ( -0.018 -3.929 0.004) 3.929 ======================= Grid point 104 (87/290) ======================= q-point: ( 0.30 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 1.507 -12.261 -0.141) 12.354 3.001 ( -2.419 -13.416 0.145) 13.633 3.658 ( -0.308 -1.894 6.759) 7.026 4.318 ( -0.447 -1.673 -15.363) 15.460 4.980 ( 4.990 2.359 11.113) 12.408 6.137 ( -2.722 8.172 -7.097) 11.160 7.540 ( 5.144 9.278 11.289) 15.492 8.084 ( -6.655 8.021 -7.637) 12.922 8.514 ( 0.962 25.038 4.010) 25.376 9.391 ( 3.025 -7.268 -7.994) 11.220 9.921 ( -2.009 -2.875 -4.928) 6.049 10.501 ( -6.872 -10.145 -2.975) 12.609 11.514 ( 3.375 7.440 29.392) 30.506 12.504 ( 6.066 -16.134 -0.732) 17.252 13.163 ( -4.364 2.618 -26.933) 27.409 14.052 ( -1.447 16.416 10.842) 19.727 17.915 ( 0.331 10.752 0.073) 10.757 22.803 ( -2.345 11.598 -0.021) 11.833 22.827 ( 0.038 14.207 0.008) 14.207 29.715 ( 0.397 -6.127 0.001) 6.140 43.950 ( 0.090 3.946 -0.004) 3.947 ======================= Grid point 105 (88/290) ======================= q-point: ( 0.30 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -4.080 -8.550 -1.343) 9.568 2.761 ( 1.590 -7.275 2.197) 7.764 3.524 ( -10.616 -1.392 6.978) 12.780 4.219 ( -5.009 -1.455 -12.164) 13.235 5.210 ( 12.113 1.772 6.255) 13.747 6.065 ( -15.988 4.078 -7.437) 18.099 7.659 ( -3.287 2.829 15.634) 16.224 8.024 ( -12.088 6.967 -0.716) 13.970 8.860 ( -9.948 9.087 -8.492) 15.927 9.293 ( -2.347 4.947 -14.656) 15.645 9.780 ( -0.588 -8.272 -2.128) 8.562 10.163 ( -6.946 -7.318 11.891) 15.595 11.772 ( 1.999 6.837 14.299) 15.975 12.212 ( 4.109 -16.964 10.995) 20.629 13.188 ( -3.891 4.099 -29.389) 29.928 14.294 ( -2.921 10.882 9.532) 14.759 18.018 ( -8.839 8.795 -0.565) 12.482 23.011 ( 5.178 6.645 2.532) 8.797 23.033 ( -0.411 6.792 0.009) 6.804 29.590 ( -1.897 -5.065 -0.099) 5.409 44.027 ( 1.433 2.109 -0.124) 2.552 ======================= Grid point 106 (89/290) ======================= q-point: ( 0.80 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( -7.367 4.017 -1.981) 8.621 3.838 ( -0.068 2.531 6.132) 6.634 4.047 ( 9.641 4.189 -2.595) 10.828 4.525 ( -1.850 4.780 0.662) 5.168 4.659 ( -3.239 -3.301 -3.472) 5.783 5.270 ( -3.287 -8.278 1.530) 9.037 6.047 ( -6.214 1.314 -14.385) 15.725 7.275 ( 15.787 -17.733 16.920) 29.154 7.646 ( 1.299 -1.260 2.008) 2.703 9.208 ( 1.786 -12.632 -1.649) 12.864 9.572 ( -2.412 -4.803 -8.450) 10.015 9.874 ( 9.014 0.140 -0.570) 9.033 11.891 ( -1.429 -1.244 13.190) 13.325 12.216 ( 19.888 5.092 -1.680) 20.598 12.842 ( -3.122 -10.405 -5.667) 12.252 15.647 ( 5.328 24.453 0.259) 25.029 17.258 ( -14.181 -1.962 0.011) 14.316 21.157 ( -0.553 -16.748 -0.007) 16.757 21.959 ( -0.669 -5.225 0.054) 5.268 30.028 ( 4.526 1.058 -0.243) 4.655 43.648 ( 2.991 -2.077 -0.003) 3.641 ======================= Grid point 107 (90/290) ======================= q-point: (-0.20 -0.05 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -8.164 -0.028 -4.673) 9.407 3.862 ( 0.601 -1.427 11.484) 11.588 4.297 ( 9.445 -1.574 -7.667) 12.266 4.442 ( -9.347 -0.988 -0.810) 9.434 4.646 ( -4.098 6.659 1.055) 7.890 5.064 ( -1.838 -3.668 0.544) 4.138 6.313 ( 7.591 19.984 -13.806) 25.448 7.189 ( 13.825 -21.390 16.704) 30.458 7.721 ( 4.438 2.185 1.312) 5.118 9.259 ( 12.348 0.396 0.027) 12.355 9.430 ( -5.217 -0.689 -5.457) 7.581 10.191 ( 14.904 5.379 -5.072) 16.637 11.767 ( -3.182 -8.258 15.335) 17.706 12.516 ( 9.013 -5.771 -15.120) 18.524 12.937 ( 17.342 7.130 5.369) 19.504 16.065 ( 10.368 -0.389 -0.002) 10.375 16.814 ( -26.135 -0.051 0.001) 26.135 20.950 ( -1.954 0.005 0.003) 1.954 21.869 ( -2.385 -0.033 -0.005) 2.385 30.192 ( 9.264 0.659 -0.002) 9.287 43.716 ( 5.330 0.024 0.003) 5.330 ======================= Grid point 108 (91/290) ======================= q-point: ( 0.30 -0.05 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -9.270 0.000 1.750) 9.433 2.761 ( 4.015 0.000 0.307) 4.027 3.172 ( -20.838 0.000 6.964) 21.971 4.084 ( -6.410 -0.000 -9.258) 11.261 5.444 ( -2.454 0.000 8.565) 8.910 5.698 ( -12.544 -0.000 -11.177) 16.801 7.555 ( -8.265 0.000 14.354) 16.563 7.834 ( -15.213 0.000 4.584) 15.889 8.562 ( -17.212 -0.000 -24.443) 29.895 9.495 ( -5.188 -0.000 -7.614) 9.213 9.533 ( -0.043 0.000 0.152) 0.158 9.930 ( -9.198 0.000 16.403) 18.806 11.627 ( -15.288 0.000 2.575) 15.503 12.292 ( 13.920 0.000 19.059) 23.601 13.126 ( -5.428 -0.000 -26.613) 27.161 14.296 ( -7.574 0.000 8.362) 11.282 17.886 ( -12.809 -0.000 -2.199) 12.996 23.070 ( -1.790 -0.000 0.003) 1.790 23.268 ( 12.738 0.000 6.247) 14.188 29.463 ( -4.535 -0.000 0.054) 4.536 44.085 ( 2.146 -0.000 -0.426) 2.188 ======================= Grid point 110 (92/290) ======================= q-point: (-0.20 -0.05 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -6.192 -2.837 -7.591) 10.199 3.762 ( -2.176 -8.424 14.640) 17.030 4.163 ( -13.888 0.051 0.655) 13.903 4.257 ( -10.968 -5.780 -3.494) 12.881 4.632 ( -0.531 1.628 -8.983) 9.145 5.198 ( 11.195 4.382 3.932) 12.649 6.773 ( 4.787 1.182 10.132) 11.268 7.177 ( 15.910 -3.183 -6.908) 17.635 7.879 ( 5.181 2.810 2.601) 6.442 9.192 ( -9.184 -3.329 -4.629) 10.810 9.732 ( 19.884 5.021 1.783) 20.585 10.622 ( 11.643 8.049 -4.690) 14.911 11.439 ( -6.659 -12.186 5.293) 14.862 12.702 ( 9.214 4.667 -9.082) 13.753 13.453 ( 23.229 -0.749 3.974) 23.579 15.979 ( 6.634 -28.153 -0.199) 28.925 16.230 ( -28.694 0.712 -0.350) 28.704 21.127 ( -0.705 20.872 -0.004) 20.884 21.906 ( -1.464 9.222 -0.072) 9.338 30.407 ( 11.568 -1.658 0.787) 11.713 43.852 ( 5.936 1.367 0.041) 6.092 ======================= Grid point 111 (93/290) ======================= q-point: (-0.20 -0.05 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -4.495 -5.257 -10.322) 12.425 3.432 ( -6.532 -14.783 16.457) 23.066 3.699 ( -25.532 -6.414 -2.479) 26.441 3.934 ( -13.711 1.335 1.126) 13.822 4.620 ( 5.121 -10.908 -13.796) 18.318 5.567 ( 11.597 7.881 7.131) 15.731 6.722 ( 10.497 -15.144 19.193) 26.607 7.471 ( 4.605 4.327 -13.282) 14.709 8.005 ( 3.085 0.310 5.294) 6.135 8.886 ( -12.159 -4.838 -3.461) 13.536 10.181 ( 17.070 -2.937 6.927) 18.654 10.810 ( 1.567 -6.141 5.257) 8.234 11.237 ( 1.292 3.759 -18.308) 18.735 12.960 ( 3.288 5.646 -4.053) 7.688 13.793 ( 19.427 -10.835 0.981) 22.266 15.305 ( -4.271 -39.395 -0.273) 39.627 15.686 ( -22.668 -2.696 -1.492) 22.877 21.680 ( 2.797 31.234 0.082) 31.359 22.205 ( 2.425 20.780 -1.026) 20.947 30.573 ( 11.416 -6.204 2.310) 13.197 43.990 ( 4.333 1.302 0.138) 4.527 ======================= Grid point 112 (94/290) ======================= q-point: ( 0.30 -0.05 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -19.034 17.241 -1.316) 25.715 2.604 ( -14.564 22.121 11.020) 28.686 3.006 ( -0.532 4.669 -0.705) 4.751 3.832 ( -12.713 5.501 -1.770) 13.965 4.039 ( -35.224 4.799 11.087) 37.238 6.009 ( 10.333 -5.699 -13.528) 17.951 6.590 ( -14.072 -13.863 -3.342) 20.034 7.302 ( -6.267 6.374 1.401) 9.048 8.172 ( -8.340 2.297 -10.823) 13.856 8.748 ( -10.670 -5.655 -5.304) 13.190 9.528 ( -5.684 13.374 -8.429) 16.799 10.223 ( 1.114 13.600 15.497) 20.649 11.350 ( -11.900 14.697 11.433) 22.098 12.837 ( 0.906 12.434 0.379) 12.473 13.095 ( 2.377 6.628 -8.163) 10.780 13.617 ( -9.798 -5.443 14.846) 18.602 16.586 ( -25.034 -26.852 -2.164) 36.775 22.963 ( 4.561 -7.058 -1.984) 8.635 23.593 ( 17.108 -19.907 13.173) 29.369 29.782 ( 5.068 19.869 -3.219) 20.756 44.107 ( 0.976 -2.427 -1.244) 2.896 ======================= Grid point 113 (95/290) ======================= q-point: ( 0.30 -0.05 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -12.799 22.989 0.264) 26.313 2.649 ( -25.698 18.476 4.871) 32.023 3.024 ( -2.226 3.390 -1.443) 4.305 3.663 ( -14.204 1.372 -1.745) 14.376 3.819 ( -9.594 26.726 17.531) 33.372 6.106 ( 10.049 -4.923 -11.638) 16.145 6.411 ( 4.154 7.205 -7.753) 11.370 7.371 ( -2.458 9.224 -1.419) 9.650 8.045 ( -4.032 -2.871 -12.109) 13.082 8.446 ( -12.856 1.917 -1.698) 13.109 9.789 ( -4.594 18.216 -20.186) 27.575 10.606 ( 14.199 13.014 14.596) 24.166 11.420 ( -3.114 6.886 20.742) 22.075 13.069 ( -7.423 -2.688 3.716) 8.726 13.257 ( 0.929 29.864 -4.416) 30.203 13.709 ( 4.103 20.444 12.973) 24.558 15.498 ( -32.340 -19.367 1.356) 37.720 22.841 ( 6.166 -18.684 -3.073) 19.914 23.398 ( 11.191 -30.233 11.773) 34.320 30.359 ( 12.098 17.076 -7.214) 22.136 44.073 ( -0.545 -0.877 -0.726) 1.262 ======================= Grid point 114 (96/290) ======================= q-point: (-0.20 -0.05 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -13.341 -17.074 -2.051) 21.765 2.968 ( -22.706 -14.896 -4.451) 27.518 3.104 ( -2.506 -5.345 6.090) 8.481 3.668 ( -13.925 0.412 2.591) 14.170 4.338 ( 0.540 -24.939 -15.655) 29.450 5.955 ( 9.324 9.166 9.480) 16.150 6.668 ( 13.419 -16.854 12.552) 24.934 7.509 ( -0.547 -3.778 -5.537) 6.726 8.000 ( -2.808 -0.295 10.971) 11.328 8.532 ( -11.259 -5.680 0.335) 12.615 10.106 ( -4.694 -14.149 18.912) 24.081 10.840 ( 18.055 -10.694 -10.618) 23.518 11.413 ( 1.573 5.357 -22.226) 22.916 13.012 ( -5.150 2.566 -2.881) 6.435 13.793 ( 9.975 -22.144 1.096) 24.312 14.378 ( -0.565 -45.309 -5.057) 45.594 15.220 ( -27.735 8.185 -2.022) 28.988 22.369 ( 4.902 29.081 1.126) 29.513 22.801 ( 6.294 30.084 -5.187) 31.169 30.631 ( 10.853 -11.105 5.315) 16.412 44.063 ( 1.161 0.165 0.300) 1.211 ======================= Grid point 117 (97/290) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 26.779 0.000) 26.779 1.423 ( 0.000 34.718 0.000) 34.718 2.328 ( 0.000 55.077 0.000) 55.077 3.155 ( 0.000 3.390 0.000) 3.390 3.335 ( -0.000 -1.975 -0.000) 1.975 6.157 ( 0.000 21.126 0.000) 21.126 6.728 ( -0.000 -10.052 -0.000) 10.052 7.173 ( 0.000 8.971 0.000) 8.971 8.067 ( 0.000 7.242 0.000) 7.242 8.468 ( -0.000 -14.176 -0.000) 14.176 9.675 ( 0.000 13.368 0.000) 13.368 10.542 ( 0.000 25.530 0.000) 25.530 10.898 ( 0.000 11.111 0.000) 11.111 12.328 ( 0.000 18.017 0.000) 18.017 13.081 ( 0.000 5.276 0.000) 5.276 13.288 ( 0.000 14.115 0.000) 14.115 14.446 ( -0.000 -3.006 -0.000) 3.006 23.520 ( -0.000 -17.209 -0.000) 17.209 23.945 ( -0.000 -21.611 -0.000) 21.611 30.798 ( 0.000 4.392 0.000) 4.392 43.980 ( 0.000 1.919 0.000) 1.919 ======================= Grid point 118 (98/290) ======================= q-point: (-0.43 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -0.000 -7.272 -5.759) 9.277 2.966 ( 0.000 -15.585 22.281) 27.191 3.093 ( 0.000 1.539 3.586) 3.902 3.475 ( -0.000 -7.511 -26.163) 27.220 5.163 ( -0.000 -19.437 -11.170) 22.418 5.710 ( 0.000 8.142 14.897) 16.977 7.235 ( 0.000 -5.681 28.939) 29.491 7.695 ( -0.000 -20.727 -4.828) 21.282 7.831 ( -0.000 -6.758 -16.389) 17.728 8.312 ( 0.000 -5.873 7.491) 9.519 9.920 ( 0.000 -13.841 11.611) 18.066 11.681 ( -0.000 12.918 -9.762) 16.192 11.772 ( -0.000 -11.633 -2.088) 11.819 12.956 ( -0.000 1.355 -8.155) 8.267 14.182 ( 0.000 4.837 0.131) 4.839 14.677 ( -0.000 -21.760 -7.867) 23.138 15.704 ( -0.000 -54.732 -3.622) 54.852 21.805 ( 0.000 35.920 0.295) 35.922 22.351 ( 0.000 33.691 -2.512) 33.785 30.928 ( 0.000 -9.117 6.319) 11.092 44.113 ( -0.000 -1.941 0.039) 1.941 ======================= Grid point 119 (99/290) ======================= q-point: (-0.43 -0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 14.657 -12.414 -3.314) 19.491 2.622 ( 4.898 -15.766 11.191) 19.945 3.258 ( 9.441 -2.443 -4.255) 10.640 3.357 ( 4.626 -4.742 -13.769) 15.280 4.672 ( -1.338 -27.317 -14.309) 30.867 5.824 ( -4.033 7.345 16.880) 18.846 6.748 ( -20.360 -14.135 18.025) 30.647 7.437 ( 7.006 -17.505 9.123) 20.946 7.817 ( 6.264 -2.341 -12.573) 14.241 8.247 ( 8.980 -7.752 6.065) 13.323 9.655 ( 3.115 -16.926 16.178) 23.620 11.360 ( -14.137 -12.219 -4.782) 19.288 11.892 ( 0.213 5.823 -16.765) 17.749 12.959 ( 1.647 -2.464 -1.155) 3.181 14.034 ( -7.662 -28.313 -7.852) 30.364 14.416 ( 4.884 -12.484 -1.141) 13.454 14.880 ( 13.499 -18.537 -9.975) 25.007 22.422 ( -2.692 28.654 1.315) 28.810 23.061 ( -4.875 41.397 -7.842) 42.414 30.648 ( -5.512 -13.675 9.753) 17.678 44.069 ( -0.166 -1.712 0.175) 1.729 ======================= Grid point 120 (100/290) ======================= q-point: ( 0.07 -0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 26.064 18.238 -0.000) 31.811 2.139 ( 7.108 28.408 0.000) 29.284 3.158 ( -3.111 3.177 0.000) 4.446 3.385 ( 5.289 43.156 0.000) 43.479 3.453 ( 10.609 0.427 -0.000) 10.618 6.417 ( -7.795 -4.833 0.000) 9.172 6.580 ( -3.777 15.848 0.000) 16.292 7.351 ( 1.044 6.954 0.000) 7.032 8.209 ( -0.269 -0.259 0.000) 0.374 8.305 ( 5.449 -0.908 -0.000) 5.524 9.995 ( 6.717 12.712 0.000) 14.378 10.733 ( -20.933 17.343 0.000) 27.184 11.087 ( 1.580 12.420 0.000) 12.520 12.780 ( 8.496 8.179 -0.000) 11.793 13.399 ( -1.085 34.806 0.000) 34.823 13.590 ( -2.765 18.132 0.000) 18.342 14.778 ( 32.376 -11.485 -0.000) 34.353 23.033 ( -5.910 -23.865 -0.000) 24.586 23.400 ( -4.794 -27.532 -0.000) 27.946 30.740 ( -13.336 10.466 0.000) 16.953 44.049 ( 2.005 0.891 -0.000) 2.194 ======================= Grid point 121 (101/290) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 6.673 15.559 0.000) 16.930 2.884 ( 31.181 11.536 -0.000) 33.246 3.264 ( 3.201 9.607 0.000) 10.126 3.706 ( 11.735 0.893 -0.000) 11.768 4.134 ( 0.065 26.737 0.000) 26.737 6.054 ( -9.857 -10.131 0.000) 14.135 6.806 ( -11.274 21.071 0.000) 23.897 7.433 ( 1.604 -2.557 -0.000) 3.018 8.149 ( -1.747 -0.734 0.000) 1.894 8.537 ( 8.438 5.766 -0.000) 10.219 10.445 ( 11.577 13.534 -0.000) 17.810 10.577 ( -21.218 10.426 0.000) 23.641 11.167 ( -2.257 -2.977 0.000) 3.736 12.973 ( 4.469 -0.717 -0.000) 4.526 13.818 ( -9.386 16.628 0.000) 19.094 14.316 ( 1.314 51.994 0.000) 52.010 15.201 ( 28.836 -9.025 -0.000) 30.216 22.382 ( -5.365 -30.136 -0.000) 30.609 22.744 ( -5.340 -27.006 -0.000) 27.529 30.687 ( -11.989 9.946 0.000) 15.577 44.067 ( -1.113 -0.312 0.000) 1.156 ======================= Grid point 122 (102/290) ======================= q-point: (-0.43 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 8.170 -16.145 9.061) 20.236 2.792 ( 24.323 -13.315 -9.731) 29.387 3.200 ( 2.261 -7.906 -16.221) 18.187 3.595 ( 15.167 -1.622 4.872) 16.013 4.184 ( 7.908 -24.184 -18.178) 31.270 5.802 ( -8.935 2.562 17.842) 20.118 6.222 ( -6.175 -1.432 10.198) 12.007 7.286 ( 6.886 -11.406 6.835) 14.974 7.919 ( 6.705 -0.683 -1.196) 6.845 8.407 ( 16.616 -5.134 2.140) 17.522 9.386 ( 5.322 -18.501 20.617) 28.208 10.844 ( -12.700 -8.786 -10.044) 18.422 11.839 ( 2.190 -13.374 -19.095) 23.415 12.972 ( 7.160 -6.976 9.378) 13.706 13.354 ( -8.472 -19.939 -8.644) 23.325 13.968 ( -4.087 -13.669 -11.990) 18.636 15.539 ( 28.904 18.552 -2.730) 34.454 22.790 ( -4.724 17.064 1.915) 17.810 23.658 ( -14.791 38.268 -13.025) 43.045 30.185 ( -7.516 -18.550 9.170) 22.016 44.056 ( 0.367 0.177 0.832) 0.926 ======================= Grid point 123 (103/290) ======================= q-point: (-0.43 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 14.481 -9.435 3.892) 17.716 2.864 ( 14.898 -19.268 -12.797) 27.513 3.063 ( -0.011 -8.063 -7.245) 10.840 3.796 ( 9.440 -4.734 1.623) 10.684 4.292 ( 31.273 -6.261 -13.652) 34.692 5.671 ( -5.751 2.213 19.029) 20.001 6.504 ( 12.736 18.238 5.371) 22.883 7.303 ( 10.498 -4.889 0.630) 11.598 8.083 ( 12.169 -3.363 -2.864) 12.946 8.614 ( 9.710 -2.371 7.589) 12.550 9.283 ( 13.838 -9.220 15.405) 22.667 10.540 ( -4.579 -6.080 -14.933) 16.761 11.589 ( 10.707 -22.172 -10.924) 26.937 12.750 ( -5.623 -13.589 8.072) 16.776 13.055 ( -1.662 -3.913 -2.500) 4.932 13.901 ( 4.132 4.944 -12.876) 14.399 16.534 ( 24.693 23.010 2.748) 33.863 22.930 ( -3.060 7.112 1.256) 7.843 23.892 ( -23.054 25.661 -15.098) 37.656 29.704 ( -2.200 -17.872 4.156) 18.480 44.079 ( -0.375 1.648 1.450) 2.227 ======================= Grid point 124 (104/290) ======================= q-point: ( 0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 5.314 5.796 -0.000) 7.863 3.633 ( 7.434 13.259 0.000) 15.201 3.674 ( 26.522 7.051 -0.000) 27.443 3.954 ( 10.801 0.553 -0.000) 10.816 4.439 ( -4.053 10.312 0.000) 11.080 5.642 ( -12.410 -8.197 0.000) 14.873 6.971 ( -12.955 22.626 0.000) 26.073 7.285 ( -1.872 -13.131 -0.000) 13.264 8.070 ( -4.533 -1.508 0.000) 4.777 8.846 ( 10.287 5.316 -0.000) 11.579 10.242 ( -21.348 0.549 0.000) 21.355 10.938 ( -7.581 -8.797 0.000) 11.613 10.979 ( 12.129 15.521 -0.000) 19.698 12.910 ( -5.710 -5.003 0.000) 7.592 13.807 ( -17.158 9.749 0.000) 19.734 15.301 ( 2.665 41.900 0.000) 41.985 15.671 ( 24.436 1.150 -0.000) 24.463 21.681 ( -2.820 -31.369 -0.000) 31.496 22.195 ( -2.246 -19.865 -0.000) 19.992 30.597 ( -11.881 5.577 0.000) 13.125 43.991 ( -4.342 -1.366 0.000) 4.552 ======================= Grid point 125 (105/290) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 7.408 3.140 -0.000) 8.046 3.980 ( 2.178 10.166 0.000) 10.397 4.154 ( 2.639 5.923 0.000) 6.485 4.188 ( 12.383 -0.395 -0.000) 12.390 4.520 ( 10.993 -2.687 -0.000) 11.316 5.241 ( -12.933 -4.764 0.000) 13.783 6.820 ( -8.938 -22.407 -0.000) 24.124 7.172 ( -12.563 24.581 0.000) 27.606 7.908 ( -5.152 -4.054 0.000) 6.556 9.136 ( 9.131 3.178 -0.000) 9.668 9.747 ( -20.748 -5.191 0.000) 21.387 10.550 ( -11.239 -10.014 0.000) 15.053 11.532 ( 9.482 17.801 0.000) 20.169 12.589 ( -12.507 -6.077 0.000) 13.905 13.496 ( -21.570 0.307 0.000) 21.572 15.976 ( -7.343 28.761 0.000) 29.683 16.227 ( 29.478 -0.990 -0.000) 29.494 21.126 ( 0.719 -20.884 -0.000) 20.896 21.905 ( 1.449 -9.074 -0.000) 9.189 30.415 ( -11.732 1.241 0.000) 11.798 43.852 ( -5.945 -1.391 0.000) 6.105 ======================= Grid point 126 (106/290) ======================= q-point: (-0.43 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 9.948 -7.285 -2.971) 12.683 2.856 ( 4.572 -5.981 0.708) 7.562 2.957 ( 12.973 -7.870 -9.352) 17.824 3.872 ( 6.361 -2.996 0.081) 7.031 4.967 ( 33.116 1.113 -4.715) 33.468 5.604 ( -5.957 2.251 11.906) 13.502 7.207 ( 18.854 12.646 13.899) 26.619 7.549 ( 14.339 4.568 -11.628) 19.018 8.220 ( 15.610 -12.306 -8.966) 21.805 8.875 ( 7.832 13.167 13.837) 20.644 9.496 ( 13.804 -3.851 6.670) 15.807 10.316 ( -2.621 -9.132 -19.087) 21.321 11.505 ( 15.876 -13.837 -5.547) 21.777 12.470 ( -3.873 -4.710 29.521) 30.144 12.956 ( -4.416 0.550 -19.535) 20.035 14.175 ( 8.446 6.373 -5.838) 12.084 17.354 ( 18.643 13.724 4.788) 23.639 23.000 ( 0.787 3.218 0.234) 3.321 23.752 ( -23.460 11.024 -13.013) 29.005 29.455 ( 3.639 -9.076 0.595) 9.797 44.092 ( -1.378 1.416 1.172) 2.297 ======================= Grid point 127 (107/290) ======================= q-point: (-0.43 -0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 5.986 -0.000 -2.443) 6.465 2.769 ( -2.422 -0.000 -0.411) 2.457 3.295 ( 19.638 0.000 -2.436) 19.789 3.957 ( 4.455 0.000 -0.174) 4.458 5.383 ( -3.203 0.000 16.193) 16.507 5.682 ( 19.342 -0.000 -11.225) 22.363 7.658 ( 15.332 0.000 13.037) 20.125 7.964 ( 12.959 -0.000 -8.151) 15.309 8.357 ( 14.290 -0.000 -13.007) 19.324 9.292 ( 9.422 0.000 12.055) 15.301 9.559 ( 1.359 -0.000 -2.391) 2.750 10.208 ( 2.563 -0.000 -11.753) 12.029 11.689 ( 13.681 -0.000 -3.253) 14.062 12.349 ( -4.241 0.000 31.691) 31.974 12.897 ( -2.568 -0.000 -21.089) 21.244 14.406 ( 6.356 -0.000 -2.041) 6.675 17.831 ( 15.097 0.000 2.999) 15.393 23.070 ( 1.794 0.000 -0.004) 1.794 23.422 ( -17.428 -0.000 -8.387) 19.341 29.464 ( 4.462 0.000 -0.076) 4.463 44.075 ( -1.650 0.000 0.557) 1.741 ======================= Grid point 128 (108/290) ======================= q-point: ( 0.07 -0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 9.426 0.233 -0.000) 9.429 4.095 ( -4.211 4.156 0.000) 5.917 4.100 ( -7.415 0.073 0.000) 7.416 4.435 ( 10.802 -0.165 -0.000) 10.803 4.657 ( 3.814 -7.898 -0.000) 8.771 5.071 ( 0.872 4.973 0.000) 5.049 6.166 ( -8.392 -20.622 -0.000) 22.264 7.376 ( -14.026 23.156 0.000) 27.073 7.738 ( -3.483 -3.189 0.000) 4.722 9.278 ( -14.904 -1.572 0.000) 14.987 9.337 ( 6.220 1.186 -0.000) 6.332 10.134 ( -12.034 -6.320 0.000) 13.593 12.038 ( 3.861 18.249 0.000) 18.653 12.257 ( -9.872 -2.293 0.000) 10.135 12.991 ( -18.432 -7.068 0.000) 19.741 16.065 ( -10.335 0.550 0.000) 10.349 16.814 ( 26.134 0.072 -0.000) 26.135 20.950 ( 1.954 -0.007 -0.000) 1.954 21.869 ( 2.385 0.047 -0.000) 2.386 30.192 ( -9.264 -0.932 0.000) 9.310 43.716 ( -5.330 -0.033 0.000) 5.330 ======================= Grid point 129 (109/290) ======================= q-point: ( 0.07 0.93 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 8.566 -3.954 -0.000) 9.435 3.938 ( -4.468 -3.856 0.000) 5.902 3.986 ( -6.902 -2.392 0.000) 7.304 4.542 ( 1.011 -3.494 -0.000) 3.638 4.611 ( 5.127 1.327 -0.000) 5.296 5.285 ( 2.575 8.806 0.000) 9.175 5.897 ( 6.294 -0.965 -0.000) 6.367 7.459 ( -16.788 17.868 0.000) 24.517 7.674 ( -0.007 0.787 0.000) 0.787 9.194 ( -5.395 15.451 0.000) 16.366 9.448 ( 3.059 0.662 -0.000) 3.130 9.879 ( -4.824 -0.069 0.000) 4.824 12.122 ( -16.250 -3.783 0.000) 16.684 12.126 ( -3.639 3.362 0.000) 4.954 12.767 ( 2.783 8.326 0.000) 8.779 15.650 ( -5.400 -24.285 -0.000) 24.879 17.258 ( 14.173 1.967 -0.000) 14.308 21.157 ( 0.557 16.741 0.000) 16.750 21.959 ( 0.645 5.283 0.000) 5.322 30.026 ( -4.401 -1.181 0.000) 4.557 43.648 ( -2.986 2.072 0.000) 3.635 ======================= Grid point 132 (110/290) ======================= q-point: ( 0.57 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 0.000 12.351 -0.000) 12.351 3.002 ( 0.000 13.331 0.000) 13.331 3.773 ( 0.000 0.136 0.000) 0.136 4.115 ( 0.000 3.437 -0.000) 3.437 5.104 ( 0.000 -3.281 -0.000) 3.281 6.047 ( 0.000 -6.190 0.000) 6.190 7.726 ( 0.000 -17.970 0.000) 17.970 7.937 ( 0.000 -3.659 -0.000) 3.659 8.581 ( 0.000 -27.637 0.000) 27.637 9.272 ( 0.000 17.160 -0.000) 17.160 9.867 ( 0.000 2.690 -0.000) 2.690 10.483 ( 0.000 6.234 -0.000) 6.234 11.946 ( 0.000 -0.543 -0.000) 0.543 12.475 ( 0.000 -19.612 0.000) 19.612 12.785 ( 0.000 26.027 -0.000) 26.027 14.162 ( 0.000 -16.199 -0.000) 16.199 17.916 ( 0.000 -10.762 -0.000) 10.762 22.803 ( 0.000 -11.624 -0.000) 11.624 22.827 ( 0.000 -14.185 -0.000) 14.185 29.715 ( 0.000 6.127 -0.000) 6.127 43.950 ( 0.000 -3.945 -0.000) 3.945 ======================= Grid point 134 (111/290) ======================= q-point: ( 0.07 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -1.479 -8.770 -0.000) 8.894 3.759 ( -1.288 -8.553 -0.000) 8.649 3.818 ( -0.813 -4.276 -0.000) 4.352 4.627 ( 8.244 2.025 -0.000) 8.489 4.657 ( -1.779 -1.020 0.000) 2.051 5.471 ( -4.577 11.963 0.000) 12.809 6.384 ( 19.103 19.419 -0.000) 27.240 7.390 ( -19.807 14.089 0.000) 24.307 7.762 ( 2.865 4.492 0.000) 5.327 9.491 ( -0.564 0.916 0.000) 1.076 9.521 ( -6.736 23.176 0.000) 24.135 10.037 ( 12.797 11.262 -0.000) 17.047 11.576 ( -14.033 -14.871 0.000) 20.447 12.246 ( 2.516 10.503 0.000) 10.800 13.080 ( 3.198 12.173 0.000) 12.587 14.964 ( -1.008 -37.796 -0.000) 37.810 17.462 ( -0.032 3.892 0.000) 3.892 21.571 ( 0.057 23.966 0.000) 23.966 22.095 ( -0.438 8.753 0.000) 8.764 29.965 ( 0.757 -1.549 -0.000) 1.724 43.677 ( 0.025 3.929 0.000) 3.929 ======================= Grid point 135 (112/290) ======================= q-point: ( 0.07 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -5.289 -9.383 -0.000) 10.771 3.541 ( 0.980 -13.965 -0.000) 13.999 3.709 ( -1.890 -6.492 -0.000) 6.761 4.519 ( -6.274 -3.359 0.000) 7.116 4.922 ( 12.829 4.487 -0.000) 13.591 5.540 ( -13.238 13.212 0.000) 18.703 7.158 ( 13.217 18.059 0.000) 22.379 7.220 ( -22.162 14.234 0.000) 26.339 7.949 ( 3.858 7.941 0.000) 8.828 9.452 ( -5.635 1.492 0.000) 5.829 9.726 ( -4.431 11.027 0.000) 11.884 10.700 ( 13.798 20.752 0.000) 24.921 11.025 ( -7.681 -17.987 -0.000) 19.559 12.650 ( 8.039 19.140 0.000) 20.759 13.314 ( 0.412 7.646 0.000) 7.657 14.171 ( 0.257 -41.933 -0.000) 41.934 17.422 ( -13.296 6.861 0.000) 14.961 22.064 ( 1.316 24.413 0.000) 24.449 22.310 ( 1.949 12.415 0.000) 12.567 29.966 ( 3.730 -4.135 -0.000) 5.569 43.791 ( 2.447 4.718 0.000) 5.315 ======================= Grid point 136 (113/290) ======================= q-point: ( 0.57 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -3.117 13.502 -1.739) 13.966 3.289 ( 0.516 14.017 2.506) 14.248 3.712 ( -5.883 3.010 2.089) 6.931 4.191 ( -0.866 5.380 -1.703) 5.709 5.084 ( 5.077 -5.198 -4.958) 8.797 5.781 ( -11.136 -8.300 3.702) 14.374 7.149 ( -17.696 -22.421 -8.877) 29.911 7.816 ( -3.029 -4.545 3.863) 6.689 8.140 ( 7.173 -21.687 4.591) 23.299 9.447 ( -9.704 11.009 -1.326) 14.735 9.851 ( -2.586 -2.029 0.715) 3.364 10.555 ( -0.151 0.379 -0.000) 0.408 11.932 ( 0.308 -10.383 27.320) 29.228 12.151 ( 10.962 -9.594 -26.854) 30.551 13.398 ( -0.168 33.623 0.588) 33.628 13.832 ( 0.118 -14.506 3.096) 14.833 17.585 ( -12.406 -9.848 -0.115) 15.840 22.501 ( 1.196 -20.021 -0.088) 20.057 22.611 ( 5.403 -14.534 1.812) 15.611 29.843 ( 1.107 6.344 -0.729) 6.481 43.882 ( 1.927 -4.675 -0.084) 5.057 ======================= Grid point 137 (114/290) ======================= q-point: ( 0.57 -0.07 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -7.991 11.792 -6.936) 15.843 3.460 ( -4.140 6.945 8.562) 11.777 3.826 ( 2.164 13.633 3.250) 14.181 4.263 ( -3.658 5.217 -1.656) 6.583 5.056 ( 2.172 -8.111 -9.925) 13.001 5.347 ( -12.269 -6.745 8.208) 16.229 6.364 ( -15.729 -14.111 -16.174) 26.611 7.682 ( -1.689 -3.174 5.006) 6.164 7.981 ( 8.096 -13.311 8.695) 17.842 9.354 ( -10.351 3.499 1.702) 11.058 9.716 ( -3.004 -3.799 -3.063) 5.730 10.521 ( 2.764 -3.961 -10.204) 11.289 11.704 ( 3.331 -11.250 25.568) 28.132 12.515 ( 22.208 4.559 -7.865) 23.997 13.404 ( -4.677 -11.980 -3.743) 13.394 14.294 ( 5.434 40.448 4.241) 41.032 17.031 ( -23.975 -8.004 0.006) 25.276 22.101 ( 2.511 -24.922 -0.158) 25.049 22.428 ( 5.888 -16.962 1.973) 18.063 30.029 ( 5.200 6.407 -1.665) 8.418 43.856 ( 3.865 -4.015 -0.142) 5.575 ======================= Grid point 138 (115/290) ======================= q-point: ( 0.07 -0.07 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -4.411 -7.200 -0.000) 8.444 3.220 ( -0.837 -20.015 -0.000) 20.033 3.435 ( -9.531 -9.879 0.000) 13.727 4.309 ( -7.251 -3.276 0.000) 7.957 5.180 ( -8.049 4.725 0.000) 9.333 5.503 ( -2.515 9.993 0.000) 10.305 7.076 ( -20.965 17.046 0.000) 27.020 7.474 ( 0.262 1.635 0.000) 1.655 8.233 ( 1.591 13.082 0.000) 13.178 9.307 ( -11.839 2.018 0.000) 12.010 9.768 ( -2.536 0.112 0.000) 2.539 10.561 ( -2.885 -18.688 -0.000) 18.909 11.262 ( 5.787 14.814 0.000) 15.904 13.203 ( 8.976 6.452 -0.000) 11.054 13.394 ( -3.936 -23.596 -0.000) 23.922 13.395 ( -1.736 2.229 0.000) 2.825 17.229 ( -21.734 12.321 0.000) 24.983 22.544 ( 2.744 19.456 0.000) 19.648 22.674 ( 7.249 15.023 0.000) 16.681 29.919 ( 3.664 -9.326 -0.000) 10.020 43.942 ( 3.325 4.181 -0.000) 5.342 ======================= Grid point 139 (116/290) ======================= q-point: ( 0.07 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -7.949 -24.065 -0.000) 25.344 2.760 ( -17.031 -7.259 0.000) 18.514 3.035 ( -3.228 -9.042 -0.000) 9.601 4.091 ( -8.460 -2.754 0.000) 8.897 4.708 ( -37.423 1.799 0.000) 37.466 5.856 ( 14.745 6.151 -0.000) 15.977 6.996 ( -20.025 17.077 0.000) 26.318 7.369 ( -4.714 -4.944 0.000) 6.831 8.434 ( -4.274 8.954 0.000) 9.922 9.081 ( -13.972 4.824 0.000) 14.781 9.614 ( -3.545 -9.295 -0.000) 9.948 10.145 ( -3.542 -18.116 -0.000) 18.459 11.433 ( -7.246 -0.323 0.000) 7.254 12.721 ( 4.526 -24.488 -0.000) 24.903 13.342 ( -3.441 -1.749 0.000) 3.860 13.604 ( -8.307 15.399 0.000) 17.496 17.087 ( -21.733 21.042 0.000) 30.250 22.899 ( 3.106 9.742 0.000) 10.225 23.173 ( 12.547 14.203 -0.000) 18.951 29.737 ( 1.854 -15.065 -0.000) 15.179 44.077 ( 2.726 2.983 -0.000) 4.042 ======================= Grid point 140 (117/290) ======================= q-point: ( 0.57 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -9.043 11.123 -12.138) 18.784 3.499 ( -3.122 5.492 13.640) 15.032 4.090 ( -8.331 8.353 0.871) 11.829 4.202 ( -9.284 3.783 0.972) 10.072 4.809 ( -3.488 -3.360 2.790) 5.590 5.212 ( 6.461 -5.341 -3.807) 9.207 6.168 ( 1.979 9.090 -21.047) 23.012 7.641 ( 3.312 -2.877 10.105) 11.016 7.909 ( 4.962 -7.460 6.441) 11.034 9.221 ( -10.255 3.240 4.140) 11.524 9.708 ( 10.387 -1.216 -9.545) 14.159 10.582 ( 6.486 0.806 -10.011) 11.956 11.605 ( 2.710 -6.990 23.277) 24.455 12.978 ( 6.785 -6.713 5.738) 11.137 13.291 ( 19.452 4.017 -7.673) 21.293 15.258 ( 6.701 43.362 1.702) 43.909 16.311 ( -31.161 -5.930 0.319) 31.722 21.627 ( 2.055 -28.267 -0.082) 28.342 22.176 ( 2.462 -17.528 1.027) 17.730 30.305 ( 9.640 5.764 -2.134) 11.433 43.887 ( 5.123 -2.355 -0.135) 5.640 ======================= Grid point 141 (118/290) ======================= q-point: ( 0.57 -0.07 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -6.270 8.508 -12.156) 16.108 3.529 ( -5.336 4.504 10.606) 12.698 3.834 ( -17.968 0.848 4.183) 18.468 3.871 ( -20.060 -2.246 -0.495) 20.192 5.024 ( 13.250 5.882 5.732) 15.589 5.274 ( 7.743 -4.242 -6.817) 11.154 6.591 ( 9.649 13.416 -17.288) 23.916 7.706 ( 9.149 -2.638 12.765) 15.925 7.948 ( 6.338 0.002 0.201) 6.341 9.015 ( -14.607 2.239 1.407) 14.844 10.061 ( 16.483 3.706 -9.339) 19.303 10.823 ( 13.445 3.242 -2.868) 14.124 11.491 ( -0.974 -6.826 15.363) 16.839 12.910 ( 3.638 -3.715 -0.167) 5.202 13.983 ( 28.711 6.669 1.429) 29.510 15.466 ( -34.502 -1.897 -0.427) 34.557 16.280 ( 11.075 31.720 1.130) 33.617 21.117 ( -0.213 -23.930 0.064) 23.931 21.877 ( -1.400 -12.767 0.038) 12.844 30.625 ( 11.509 3.679 -1.608) 12.189 43.969 ( 5.322 -0.626 -0.069) 5.359 ======================= Grid point 142 (119/290) ======================= q-point: ( 0.07 -0.07 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -17.469 -20.715 0.000) 27.098 2.075 ( -28.516 -9.862 0.000) 30.173 2.967 ( 3.291 -2.027 -0.000) 3.866 3.780 ( -50.238 -3.082 0.000) 50.333 3.850 ( -10.136 -1.889 0.000) 10.311 6.273 ( 15.016 4.349 -0.000) 15.633 6.885 ( -19.352 12.999 0.000) 23.313 7.161 ( -5.305 -4.367 0.000) 6.871 8.367 ( -9.826 0.379 0.000) 9.833 9.033 ( -8.558 14.238 0.000) 16.612 9.271 ( -7.172 -14.219 -0.000) 15.926 9.690 ( -6.239 -17.845 -0.000) 18.904 10.933 ( -19.809 -14.694 0.000) 24.664 12.639 ( 8.536 -3.130 -0.000) 9.091 13.208 ( -4.507 -2.818 0.000) 5.315 13.509 ( -18.769 5.651 0.000) 19.602 17.190 ( -14.493 27.407 0.000) 31.003 23.024 ( 1.833 -2.474 -0.000) 3.079 23.699 ( 15.061 9.068 -0.000) 17.581 29.428 ( -0.559 -16.947 -0.000) 16.956 44.172 ( 1.806 2.142 -0.000) 2.801 ======================= Grid point 143 (120/290) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -26.568 -0.000 0.000) 26.568 1.317 ( -32.207 -0.000 0.000) 32.207 2.585 ( -59.296 -0.000 0.000) 59.296 3.023 ( 3.062 0.000 -0.000) 3.062 3.620 ( -9.853 -0.000 0.000) 9.853 6.624 ( 13.455 0.000 -0.000) 13.455 6.681 ( -14.920 -0.000 0.000) 14.920 7.022 ( -3.295 -0.000 0.000) 3.295 8.149 ( -9.786 -0.000 0.000) 9.786 8.848 ( -12.101 -0.000 0.000) 12.101 9.158 ( -6.633 -0.000 0.000) 6.633 9.268 ( -4.719 -0.000 0.000) 4.719 10.345 ( -18.570 -0.000 0.000) 18.570 12.757 ( 2.378 0.000 -0.000) 2.378 13.084 ( -3.783 -0.000 0.000) 3.783 13.171 ( -15.507 -0.000 0.000) 15.507 17.408 ( -2.582 -0.000 0.000) 2.582 22.935 ( -1.893 -0.000 0.000) 1.893 24.093 ( 13.128 0.000 -0.000) 13.128 29.152 ( -3.867 -0.000 0.000) 3.867 44.235 ( 1.596 0.000 -0.000) 1.596 ======================= Grid point 144 (121/290) ======================= q-point: (-0.43 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -19.715 0.000 0.000) 19.715 3.385 ( -10.261 -0.000 0.000) 10.261 3.386 ( -12.832 0.000 -0.000) 12.832 3.690 ( -2.228 0.000 0.000) 2.228 5.357 ( 10.477 0.000 0.000) 10.477 5.362 ( 5.660 -0.000 -0.000) 5.660 6.919 ( 10.968 0.000 -0.000) 10.968 7.884 ( 7.136 0.000 0.000) 7.136 8.135 ( 9.609 0.000 0.000) 9.609 8.711 ( -16.787 0.000 0.000) 16.787 10.322 ( 2.393 0.000 0.000) 2.393 11.273 ( 25.274 0.000 0.000) 25.274 11.362 ( -2.222 0.000 0.000) 2.222 12.963 ( 2.650 0.000 0.000) 2.650 14.607 ( 21.256 0.000 -0.000) 21.256 14.760 ( -27.587 0.000 0.000) 27.587 16.891 ( 11.643 0.000 0.000) 11.643 20.822 ( -1.512 0.000 0.000) 1.512 21.693 ( -2.398 0.000 0.000) 2.398 30.889 ( 9.773 0.000 0.000) 9.773 44.066 ( 4.168 0.000 0.000) 4.168 ======================= Grid point 148 (122/290) ======================= q-point: (-0.16 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.000 -21.295 -22.815) 31.209 1.007 ( -0.000 -24.192 -24.981) 34.775 1.740 ( -0.000 -39.736 -44.737) 59.836 3.086 ( 0.000 -2.775 2.475) 3.718 3.315 ( 0.000 0.820 4.903) 4.971 5.863 ( -0.000 -11.938 -3.380) 12.408 6.460 ( 0.000 -2.660 20.204) 20.379 6.940 ( 0.000 -8.492 10.889) 13.809 7.861 ( 0.000 -4.400 8.667) 9.720 8.068 ( 0.000 -13.018 21.075) 24.771 8.867 ( 0.000 -11.047 19.364) 22.294 10.263 ( -0.000 -21.333 -10.420) 23.742 10.772 ( -0.000 -5.903 -4.124) 7.201 12.658 ( -0.000 -11.402 -3.931) 12.060 13.009 ( 0.000 0.724 2.130) 2.250 14.491 ( 0.000 1.557 -0.045) 1.558 14.755 ( -0.000 79.285 -80.089) 112.696 23.193 ( 0.000 -14.633 16.652) 22.168 25.385 ( -0.000 61.486 -48.301) 78.189 30.000 ( 0.000 -40.337 40.717) 57.315 43.951 ( -0.000 -1.056 -0.009) 1.056 ======================= Grid point 149 (123/290) ======================= q-point: ( 0.34 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 6.062 1.902) 6.354 3.090 ( 0.000 -1.237 14.249) 14.302 3.100 ( -0.000 -2.420 -1.292) 2.743 3.785 ( -0.000 17.287 -21.982) 27.965 5.138 ( 0.000 4.982 15.686) 16.459 5.869 ( -0.000 -2.700 -12.339) 12.631 7.189 ( 0.000 -7.714 15.210) 17.055 7.956 ( 0.000 14.000 2.982) 14.314 8.243 ( -0.000 8.750 -23.418) 24.999 8.481 ( -0.000 -0.812 -3.916) 4.000 10.307 ( -0.000 3.759 -9.245) 9.980 11.099 ( 0.000 -5.454 24.827) 25.419 11.937 ( 0.000 7.823 0.839) 7.867 12.956 ( -0.000 3.486 -5.192) 6.254 14.103 ( -0.000 -3.177 -0.077) 3.178 14.915 ( 0.000 15.696 4.255) 16.263 16.677 ( 0.000 43.610 0.873) 43.618 21.124 ( -0.000 -30.433 0.122) 30.433 21.830 ( -0.000 -18.069 0.006) 18.069 31.114 ( -0.000 1.802 -2.052) 2.731 44.144 ( 0.000 1.064 -0.017) 1.064 ======================= Grid point 150 (124/290) ======================= q-point: ( 0.34 -0.09 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 17.584 2.403 -0.017) 17.748 3.022 ( 2.134 -7.797 12.765) 15.109 3.173 ( 9.690 0.009 0.687) 9.714 4.041 ( -1.068 8.797 -25.078) 26.598 5.126 ( -3.482 -0.057 19.577) 19.884 5.768 ( -5.401 -3.427 -12.042) 13.636 6.966 ( -6.235 -9.285 14.962) 18.680 8.096 ( -4.498 5.205 -4.221) 8.071 8.277 ( -5.695 -0.667 -0.747) 5.782 8.532 ( 9.516 -1.809 -12.340) 15.688 10.255 ( 0.737 -10.928 3.785) 11.588 11.192 ( 4.942 10.904 9.850) 15.503 11.801 ( -19.806 1.653 -1.058) 19.903 13.045 ( 0.089 2.900 -6.009) 6.672 14.254 ( 17.318 -0.231 -0.051) 17.320 14.989 ( -12.695 4.512 0.726) 13.492 17.080 ( -6.598 0.600 0.225) 6.629 20.799 ( 0.769 0.292 -0.015) 0.823 21.654 ( 1.337 -0.459 0.015) 1.414 31.050 ( -5.521 -2.350 -0.015) 6.001 44.132 ( -2.154 -0.034 -0.001) 2.154 ======================= Grid point 151 (125/290) ======================= q-point: (-0.16 -0.09 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 20.227 -0.000 -25.507) 32.553 1.041 ( 23.410 -0.000 -27.200) 35.887 1.753 ( 43.099 -0.000 -40.205) 58.941 3.040 ( -1.426 0.000 3.247) 3.546 3.407 ( 7.030 0.000 4.213) 8.195 6.102 ( 17.207 0.000 32.899) 37.127 6.494 ( 8.400 -0.000 -5.754) 10.182 6.880 ( 7.216 0.000 13.186) 15.032 7.603 ( -3.710 0.000 7.706) 8.552 8.280 ( 25.063 0.000 9.118) 26.670 8.846 ( 4.815 0.000 17.923) 18.559 10.155 ( 9.796 -0.000 -9.846) 13.889 10.352 ( -25.167 -0.000 -32.481) 41.090 12.533 ( 2.173 0.000 3.363) 4.004 13.019 ( 0.791 0.000 1.415) 1.621 13.780 ( -26.409 -0.000 -38.259) 46.489 16.808 ( 28.723 0.000 29.464) 41.148 22.903 ( 1.062 0.000 0.033) 1.063 25.433 ( -59.700 -0.000 -54.437) 80.793 29.095 ( 2.026 -0.000 -0.447) 2.074 44.102 ( 7.174 0.000 8.153) 10.860 ======================= Grid point 153 (126/290) ======================= q-point: (-0.66 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 5.685 -12.288 11.817) 17.971 3.243 ( 25.746 -0.726 -2.383) 25.866 3.475 ( 16.194 2.320 1.933) 16.473 4.076 ( -2.030 -0.965 -25.182) 25.282 5.043 ( -6.969 2.335 20.114) 21.415 5.505 ( -8.856 -6.959 -8.182) 13.922 6.537 ( -12.672 -15.070 13.532) 23.892 7.926 ( -5.445 -8.420 -1.712) 10.173 8.211 ( -2.788 3.828 -7.389) 8.777 8.726 ( 13.613 -3.437 -3.857) 14.560 9.973 ( -2.807 -14.470 12.801) 19.522 11.294 ( -25.672 -1.404 -2.632) 25.845 11.636 ( 8.410 16.107 -4.807) 18.795 13.011 ( -6.072 0.813 -2.612) 6.660 14.578 ( -22.121 -6.492 -2.794) 23.223 14.786 ( 28.441 2.859 0.553) 28.590 16.511 ( -9.019 -35.520 -0.542) 36.651 21.120 ( -0.280 27.013 -0.097) 27.014 21.851 ( 1.068 16.488 0.026) 16.523 30.808 ( -9.083 -6.397 1.512) 11.212 44.063 ( -3.814 -0.222 0.042) 3.821 ======================= Grid point 154 (127/290) ======================= q-point: (-0.66 -0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 11.080 -14.021 10.054) 20.505 3.684 ( 15.959 -3.455 -8.980) 18.635 3.869 ( 16.627 0.934 1.983) 16.771 3.992 ( 4.044 -6.783 -13.932) 16.014 4.889 ( -9.255 0.231 7.906) 12.174 5.249 ( -4.809 -2.044 1.347) 5.396 5.949 ( -11.697 -13.162 13.771) 22.354 7.688 ( -0.647 -8.085 2.019) 8.359 8.282 ( 1.741 4.184 -19.103) 19.634 8.962 ( 15.639 -3.168 2.661) 16.177 9.597 ( -6.704 -12.928 16.287) 21.848 10.780 ( -20.008 0.049 -1.507) 20.065 12.082 ( 4.144 13.153 -18.744) 23.270 12.931 ( -3.129 4.407 7.226) 9.024 13.846 ( -28.090 -12.731 -3.147) 31.001 15.295 ( 11.751 -29.790 0.612) 32.030 15.776 ( 14.973 -8.042 -1.981) 17.111 21.676 ( -2.723 30.647 0.069) 30.768 22.257 ( -3.215 25.143 -1.007) 25.368 30.457 ( -9.267 -9.116 2.252) 13.193 43.983 ( -4.295 1.017 0.121) 4.416 ======================= Grid point 156 (128/290) ======================= q-point: (-0.16 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 13.646 13.191 0.652) 18.991 3.031 ( 2.321 9.700 1.611) 10.103 3.361 ( 5.579 19.464 -5.883) 21.085 4.107 ( 7.787 3.781 2.853) 9.114 4.765 ( 29.895 -2.043 -7.995) 31.013 5.628 ( -12.982 -7.479 7.855) 16.917 6.603 ( 13.893 -13.701 8.884) 21.440 7.517 ( 4.286 2.561 -4.865) 6.971 8.196 ( 2.103 -9.195 3.006) 9.900 9.002 ( 13.050 3.349 1.575) 13.565 9.763 ( -0.744 5.269 2.578) 5.913 10.503 ( 2.687 12.302 -1.120) 12.641 11.514 ( 0.138 -8.464 -17.308) 19.268 13.042 ( -7.972 0.733 14.169) 16.275 13.325 ( 3.752 23.004 1.427) 23.351 13.655 ( -0.497 4.518 -13.683) 14.418 16.715 ( 27.044 -15.652 0.367) 31.249 22.612 ( -4.199 -18.649 0.528) 19.123 22.906 ( -11.131 -19.753 -4.885) 23.194 29.996 ( -5.488 12.897 2.134) 14.178 44.009 ( -3.147 -3.287 0.407) 4.569 ======================= Grid point 157 (129/290) ======================= q-point: (-0.66 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 14.530 -12.589 7.576) 20.664 3.678 ( -1.124 -8.249 -13.430) 15.801 3.887 ( 2.796 -14.050 -2.031) 14.468 4.139 ( 9.439 -3.675 -0.119) 10.130 4.845 ( 0.836 4.266 6.245) 7.610 5.264 ( 6.697 3.339 -0.238) 7.487 5.832 ( 6.549 10.894 11.621) 17.222 7.614 ( 4.468 -3.153 1.727) 5.735 8.398 ( 0.029 4.029 -20.626) 21.016 9.189 ( 8.913 -8.286 -0.943) 12.207 9.360 ( 8.036 -1.004 19.805) 21.397 10.526 ( -9.712 5.439 0.596) 11.147 12.275 ( -2.572 7.280 -23.848) 25.067 12.968 ( -25.836 -15.028 3.954) 30.149 13.130 ( 4.457 8.001 8.677) 12.616 14.498 ( -5.090 -35.803 -3.545) 36.336 16.468 ( 29.478 9.611 -0.099) 31.005 22.161 ( -3.608 25.548 0.192) 25.802 22.630 ( -9.128 25.025 -2.286) 26.735 30.107 ( -5.971 -9.778 2.004) 11.630 43.935 ( -3.887 2.780 0.187) 4.782 ======================= Grid point 158 (130/290) ======================= q-point: (-0.66 -0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 11.845 -11.093 4.431) 16.822 3.395 ( -3.013 -14.754 -3.656) 15.496 3.661 ( 1.587 -10.312 -2.558) 10.742 4.199 ( 5.259 -3.236 -6.236) 8.776 4.939 ( -0.901 3.783 12.663) 13.246 5.636 ( 15.539 7.483 -6.959) 18.598 6.541 ( 19.392 26.903 9.476) 34.491 7.755 ( 7.871 4.642 -1.734) 9.301 8.426 ( -5.147 5.775 -8.945) 11.826 9.185 ( 11.321 -9.337 2.179) 14.836 9.686 ( 14.167 2.108 3.216) 14.680 10.565 ( -1.887 9.026 -0.386) 9.229 12.102 ( -23.801 -13.419 12.186) 29.917 12.375 ( 2.826 -0.839 -17.362) 17.610 13.345 ( 5.229 -5.103 1.875) 7.543 13.938 ( -6.044 -2.860 -2.211) 7.043 17.216 ( 22.300 11.110 0.283) 24.916 22.534 ( -2.300 19.348 0.147) 19.485 22.844 ( -12.214 19.835 -2.755) 23.456 29.849 ( -1.465 -8.656 1.132) 8.852 43.931 ( -2.846 3.894 0.166) 4.826 ======================= Grid point 159 (131/290) ======================= q-point: (-0.16 -0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 4.912 7.406 -4.798) 10.100 3.450 ( 5.656 12.061 7.337) 15.208 3.740 ( -0.787 13.874 -5.321) 14.880 4.324 ( 6.127 4.026 3.795) 8.256 5.176 ( 9.958 -5.448 -7.871) 13.813 5.224 ( -1.341 -10.420 6.419) 12.312 6.670 ( 15.107 -9.507 13.039) 22.105 7.479 ( -3.587 -10.882 -11.100) 15.953 7.974 ( -4.012 -8.691 3.827) 10.309 9.305 ( 10.854 0.980 -2.475) 11.176 9.727 ( -1.482 -5.559 -1.281) 5.894 10.728 ( -2.304 2.844 9.964) 10.615 11.238 ( -3.054 -7.152 -19.908) 21.373 12.704 ( -14.112 -8.620 9.957) 19.303 13.400 ( 1.082 -9.514 -3.567) 10.218 14.226 ( -3.742 44.542 -2.318) 44.759 17.030 ( 23.974 -8.130 -0.020) 25.315 22.104 ( -2.597 -25.007 0.113) 25.141 22.392 ( -4.900 -15.437 -1.379) 16.255 30.059 ( -6.077 6.235 1.182) 8.786 43.859 ( -3.974 -4.100 0.107) 5.711 ======================= Grid point 160 (132/290) ======================= q-point: (-0.16 -0.09 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 5.939 7.190 -2.761) 9.726 3.711 ( 2.162 7.477 3.771) 8.649 3.891 ( -4.394 7.695 -3.219) 9.427 4.506 ( 2.581 4.355 5.327) 7.349 4.864 ( -7.087 -6.295 -1.301) 9.568 5.326 ( 10.558 -9.935 -2.496) 14.711 6.815 ( 4.567 -7.714 8.350) 12.251 6.934 ( -5.105 -20.960 -6.906) 22.652 7.772 ( -3.365 -4.839 4.574) 7.461 9.448 ( 6.985 -9.971 -2.748) 12.480 9.544 ( 0.412 -6.656 -7.193) 9.809 10.302 ( -14.998 -16.198 3.250) 22.314 11.413 ( 6.558 13.427 -4.464) 15.596 12.267 ( -11.729 -6.222 6.566) 14.812 13.182 ( -1.161 -12.298 -2.740) 12.653 14.988 ( -3.194 39.377 -0.357) 39.508 17.316 ( 13.893 -4.124 -0.024) 14.492 21.577 ( -0.566 -24.520 0.036) 24.527 22.098 ( -0.611 -9.451 -0.248) 9.474 30.019 ( -4.572 1.913 0.440) 4.975 43.706 ( -2.775 -3.773 0.021) 4.684 ======================= Grid point 161 (133/290) ======================= q-point: (-0.66 -0.09 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 4.175 -11.718 0.962) 12.476 3.053 ( -2.519 -13.433 -1.279) 13.727 3.598 ( 5.420 -4.223 5.313) 8.685 4.267 ( 4.777 -1.116 -14.324) 15.141 4.957 ( -1.750 2.006 14.038) 14.288 6.065 ( 9.407 7.651 -8.711) 14.930 7.345 ( 13.382 14.186 12.801) 23.328 8.096 ( 5.146 11.136 -12.356) 17.411 8.521 ( -1.376 16.509 7.295) 18.101 9.249 ( 10.082 -7.830 -6.631) 14.385 9.900 ( 5.017 -1.772 -4.075) 6.702 10.615 ( -3.713 -4.936 -9.832) 11.612 11.551 ( -7.996 -2.089 32.344) 33.383 12.363 ( 7.692 -14.246 -2.909) 16.449 13.245 ( -3.148 1.176 -22.729) 22.976 14.074 ( -0.858 15.131 8.121) 17.194 17.790 ( 11.607 11.091 0.378) 16.059 22.831 ( -0.380 13.755 0.045) 13.760 22.930 ( -9.870 13.279 -1.974) 16.662 29.700 ( 1.062 -6.710 0.333) 6.801 43.964 ( -1.372 3.712 0.083) 3.958 ======================= Grid point 162 (134/290) ======================= q-point: ( 0.34 -0.09 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 1.799 -7.408 -0.276) 7.628 2.783 ( -2.784 -8.227 0.271) 8.690 3.630 ( 0.272 -0.968 7.895) 7.958 4.294 ( -1.359 -0.794 -16.374) 16.449 5.016 ( 5.687 1.214 12.029) 13.361 6.260 ( -2.738 4.316 -9.605) 10.880 7.662 ( 3.295 3.726 17.484) 18.177 8.206 ( -5.248 3.951 -3.541) 7.462 8.983 ( -1.549 20.519 -3.541) 20.880 9.285 ( 3.760 -0.877 -15.686) 16.154 9.807 ( -2.203 -9.838 -5.914) 11.688 10.298 ( -6.185 -8.664 6.063) 12.251 11.651 ( 7.127 6.622 26.806) 28.517 12.164 ( 2.397 -15.242 4.017) 15.943 13.263 ( -3.248 4.409 -28.985) 29.498 14.330 ( -0.784 10.804 9.229) 14.230 18.106 ( 0.689 7.819 0.080) 7.850 22.986 ( -3.013 6.721 -0.006) 7.366 23.038 ( 0.014 7.286 0.000) 7.286 29.609 ( 0.120 -4.236 -0.000) 4.238 44.011 ( 0.115 2.194 -0.004) 2.197 ======================= Grid point 163 (135/290) ======================= q-point: (-0.16 -0.09 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 1.198 4.650 -0.054) 4.802 3.880 ( 2.450 4.036 0.184) 4.725 3.888 ( -1.845 2.305 -0.019) 2.953 4.562 ( -2.365 2.626 2.003) 4.062 4.706 ( -0.908 -2.933 -2.312) 3.844 5.281 ( 2.242 -7.313 -0.099) 7.649 6.233 ( -11.336 -10.263 -14.247) 20.900 6.991 ( 11.503 -8.599 16.057) 21.543 7.643 ( -1.116 -2.791 3.679) 4.751 9.181 ( 1.132 -16.087 -5.854) 17.157 9.552 ( 2.665 -2.490 -7.341) 8.197 9.845 ( -5.536 -4.448 4.212) 8.257 11.854 ( 10.070 11.504 -0.459) 15.296 12.007 ( -4.843 -2.669 7.428) 9.261 12.898 ( -2.207 -11.697 -4.070) 12.580 15.588 ( 0.248 24.183 0.081) 24.185 17.406 ( 0.011 -1.835 -0.001) 1.835 21.163 ( -0.015 -16.224 0.004) 16.224 21.965 ( 0.079 -4.463 -0.004) 4.464 29.984 ( -0.295 0.463 -0.001) 0.549 43.616 ( -0.007 -2.180 0.004) 2.180 ======================= Grid point 164 (136/290) ======================= q-point: (-0.16 -0.09 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -7.246 -0.869 -2.287) 7.648 3.859 ( -0.570 -0.382 6.005) 6.044 4.082 ( 9.706 -0.788 -3.619) 10.389 4.613 ( -5.851 0.184 -0.309) 5.862 4.627 ( 2.982 3.723 -0.104) 4.771 5.159 ( -4.489 -2.566 0.017) 5.171 6.181 ( 4.723 11.995 -14.659) 19.521 6.973 ( 6.740 -12.472 16.554) 21.795 7.645 ( 2.776 1.229 2.935) 4.222 9.070 ( 5.589 -0.471 -3.107) 6.412 9.511 ( -2.075 -1.763 -6.393) 6.948 9.914 ( 10.494 4.201 0.668) 11.324 11.842 ( -4.714 -4.628 10.283) 12.222 12.241 ( 14.831 -2.910 -5.228) 15.993 12.772 ( 1.733 4.321 -1.690) 4.953 15.896 ( 5.737 -0.224 0.041) 5.741 17.239 ( -14.306 -0.012 -0.000) 14.306 20.983 ( -1.132 0.011 0.003) 1.132 21.908 ( -1.324 -0.045 -0.005) 1.325 30.041 ( 5.105 0.323 -0.001) 5.115 43.627 ( 3.092 0.008 0.004) 3.092 ======================= Grid point 165 (137/290) ======================= q-point: ( 0.34 -0.09 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -5.265 -0.000 -0.824) 5.329 2.689 ( 2.569 0.000 1.709) 3.085 3.511 ( -11.228 0.000 7.443) 13.471 4.204 ( -5.281 -0.000 -12.498) 13.568 5.228 ( 12.359 0.000 6.484) 13.956 6.105 ( -16.191 -0.000 -8.273) 18.183 7.684 ( -3.848 0.000 18.262) 18.663 8.097 ( -9.997 0.000 2.758) 10.370 8.909 ( -15.660 -0.000 -26.167) 30.495 9.517 ( 1.142 -0.000 -0.830) 1.412 9.555 ( -0.364 -0.000 -4.166) 4.182 10.097 ( -6.817 0.000 12.569) 14.299 11.879 ( -8.818 -0.000 1.214) 8.901 12.002 ( 13.781 0.000 23.306) 27.076 13.228 ( -4.408 -0.000 -27.960) 28.306 14.404 ( -3.174 0.000 8.427) 9.005 18.110 ( -7.970 -0.000 -0.743) 8.005 23.077 ( 5.401 0.000 2.782) 6.076 23.099 ( -0.979 -0.000 0.003) 0.979 29.538 ( -2.601 -0.000 0.013) 2.601 44.048 ( 1.347 0.000 -0.135) 1.354 ======================= Grid point 167 (138/290) ======================= q-point: (-0.16 -0.09 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -7.178 -3.758 -5.192) 9.623 3.795 ( -1.224 -5.378 10.424) 11.793 4.194 ( 8.477 -8.122 -7.167) 13.755 4.429 ( -10.262 -1.021 1.009) 10.362 4.805 ( -4.524 9.339 2.407) 10.653 5.038 ( -0.108 0.942 -2.192) 2.388 6.691 ( 3.950 9.976 1.277) 10.805 6.869 ( 12.232 -2.614 0.611) 12.523 7.777 ( 4.649 3.387 3.088) 6.528 9.292 ( 3.236 1.871 -0.239) 3.745 9.455 ( 2.627 4.069 -5.434) 7.279 10.347 ( 14.671 10.525 -2.072) 18.174 11.560 ( -5.269 -12.535 6.797) 15.202 12.476 ( 13.013 1.459 -10.129) 16.555 13.082 ( 11.635 7.593 4.606) 14.637 15.782 ( 8.951 -27.167 -0.345) 28.606 16.836 ( -25.966 2.279 -0.027) 26.065 21.143 ( -0.824 18.385 0.014) 18.404 21.934 ( -1.271 6.630 -0.087) 6.751 30.190 ( 9.117 -0.958 0.495) 9.180 43.734 ( 5.164 1.831 0.023) 5.479 ======================= Grid point 168 (139/290) ======================= q-point: (-0.16 -0.09 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -5.548 -5.195 -8.180) 11.166 3.558 ( -5.560 -12.178 13.898) 19.297 4.047 ( -5.055 -12.351 -3.884) 13.899 4.193 ( -10.496 -0.777 0.131) 10.525 4.671 ( -13.030 2.376 -8.395) 15.681 5.316 ( 12.357 7.402 4.945) 15.230 6.571 ( 3.323 -11.797 17.401) 21.284 7.356 ( 6.702 12.015 -13.272) 19.116 7.936 ( 3.694 3.372 3.972) 6.387 9.125 ( -10.563 -3.337 -4.747) 12.052 9.812 ( 15.742 2.874 2.043) 16.132 10.768 ( 4.987 4.617 5.402) 8.682 11.248 ( -2.250 -5.137 -10.098) 11.551 12.828 ( 9.958 7.801 -7.347) 14.629 13.425 ( 14.494 -1.789 4.855) 15.390 15.226 ( 6.765 -45.231 -1.292) 45.753 16.306 ( -31.593 6.039 -0.165) 32.165 21.629 ( 2.066 28.411 0.060) 28.486 22.157 ( 2.140 16.111 -0.723) 16.269 30.344 ( 10.469 -4.909 1.516) 11.662 43.890 ( 5.180 2.459 0.102) 5.735 ======================= Grid point 170 (140/290) ======================= q-point: ( 0.34 -0.09 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -15.246 18.028 -1.346) 23.649 2.969 ( -4.879 11.770 -0.354) 12.746 3.188 ( -11.937 15.872 4.031) 20.264 3.918 ( -10.398 2.967 -1.342) 10.896 4.174 ( -24.932 9.125 13.155) 29.629 5.884 ( 11.528 -7.041 -10.470) 17.091 6.408 ( -4.553 -3.824 -8.552) 10.415 7.434 ( -3.609 6.445 1.408) 7.520 8.129 ( -3.954 -5.079 -7.156) 9.625 8.725 ( -13.674 2.135 0.278) 13.842 9.808 ( 2.335 14.298 -11.569) 18.540 10.461 ( 0.401 10.796 7.905) 13.386 11.483 ( -2.605 -1.139 17.752) 17.978 13.168 ( 1.821 1.925 -1.585) 3.088 13.243 ( -2.493 20.231 -6.656) 21.443 13.661 ( 0.548 17.519 13.362) 22.039 16.131 ( -29.281 -19.291 -0.159) 35.065 22.715 ( 5.701 -18.230 -1.398) 19.152 23.151 ( 12.272 -24.678 7.880) 28.665 30.141 ( 8.737 16.255 -3.929) 18.868 44.061 ( 1.687 -2.265 -0.657) 2.900 ======================= Grid point 171 (141/290) ======================= q-point: (-0.16 -0.09 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -8.556 -12.529 -7.703) 17.015 3.157 ( -4.909 -11.272 13.352) 18.150 3.507 ( -21.138 -13.738 -3.696) 25.480 3.948 ( -12.447 -0.217 0.776) 12.473 4.386 ( -7.631 -12.154 -13.938) 20.006 5.732 ( 11.980 8.461 8.250) 16.828 6.462 ( 5.667 -9.176 14.123) 17.770 7.517 ( -0.243 -1.074 -5.524) 5.633 8.035 ( -0.814 3.429 5.772) 6.763 8.794 ( -13.337 -4.413 -3.278) 14.425 10.052 ( 10.097 -10.021 10.627) 17.757 10.653 ( -0.390 -9.048 0.060) 9.057 11.373 ( 2.367 8.104 -20.476) 22.148 13.084 ( -0.615 6.580 -4.694) 8.106 13.560 ( 11.265 -13.014 4.427) 17.772 14.372 ( 1.551 -47.803 -4.537) 48.043 15.829 ( -30.688 11.986 -0.469) 32.949 22.264 ( 4.950 27.402 0.534) 27.851 22.659 ( 7.204 24.952 -3.588) 26.218 30.407 ( 10.432 -10.956 3.379) 15.501 44.020 ( 2.976 1.826 0.312) 3.505 ======================= Grid point 176 (142/290) ======================= q-point: (-0.39 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.000 -10.815 -9.090) 14.127 2.613 ( 0.000 -19.792 14.813) 24.721 3.124 ( 0.000 1.502 5.158) 5.372 3.327 ( -0.000 -7.467 -22.408) 23.619 4.687 ( -0.000 -29.023 -14.555) 32.469 5.866 ( 0.000 7.321 17.416) 18.893 7.092 ( 0.000 -8.770 34.791) 35.880 7.242 ( -0.000 -25.091 -4.899) 25.565 7.739 ( -0.000 -1.947 -16.528) 16.642 8.161 ( 0.000 -9.255 8.909) 12.846 9.620 ( 0.000 -16.978 14.634) 22.414 11.521 ( -0.000 -13.663 -3.052) 14.000 11.881 ( -0.000 5.269 -13.673) 14.653 12.949 ( -0.000 -3.875 -2.748) 4.750 14.172 ( -0.000 -28.708 -10.802) 30.673 14.281 ( 0.000 5.067 0.099) 5.068 14.754 ( -0.000 -37.127 -11.759) 38.945 22.451 ( 0.000 28.992 1.476) 29.030 23.113 ( 0.000 43.507 -8.357) 44.302 30.708 ( 0.000 -13.381 10.944) 17.286 44.070 ( -0.000 -2.401 0.039) 2.401 ======================= Grid point 177 (143/290) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 20.837 0.000) 20.837 2.064 ( 0.000 30.496 0.000) 30.496 3.241 ( 0.000 5.630 0.000) 5.630 3.289 ( -0.000 -2.660 -0.000) 2.660 3.332 ( 0.000 47.259 0.000) 47.259 6.507 ( -0.000 -12.187 -0.000) 12.187 6.622 ( 0.000 25.624 0.000) 25.624 7.339 ( 0.000 6.641 0.000) 6.641 8.224 ( 0.000 8.440 0.000) 8.440 8.238 ( -0.000 -8.246 -0.000) 8.246 9.922 ( 0.000 12.001 0.000) 12.001 10.922 ( 0.000 11.462 0.000) 11.462 11.149 ( 0.000 14.261 0.000) 14.261 12.687 ( 0.000 13.280 0.000) 13.280 13.420 ( 0.000 35.145 0.000) 35.145 13.619 ( 0.000 19.539 0.000) 19.539 14.375 ( -0.000 -4.243 -0.000) 4.243 23.099 ( -0.000 -25.839 -0.000) 25.839 23.451 ( -0.000 -28.407 -0.000) 28.407 30.896 ( 0.000 5.466 0.000) 5.466 44.023 ( 0.000 2.403 0.000) 2.403 ======================= Grid point 178 (144/290) ======================= q-point: ( 0.11 -0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 23.229 13.458 -0.000) 26.846 2.622 ( 3.818 19.937 0.000) 20.299 3.228 ( 0.365 3.327 0.000) 3.347 3.492 ( 8.363 5.104 -0.000) 9.797 4.145 ( -0.682 33.902 0.000) 33.908 6.214 ( -5.400 -11.135 -0.000) 12.375 7.028 ( -8.827 24.672 0.000) 26.204 7.393 ( 1.872 -3.473 -0.000) 3.945 8.182 ( -1.277 2.504 0.000) 2.811 8.414 ( 3.477 7.136 0.000) 7.938 10.235 ( 7.855 12.119 0.000) 14.442 10.920 ( -9.025 0.427 0.000) 9.035 11.287 ( -10.262 11.181 0.000) 15.177 12.878 ( 3.795 3.613 -0.000) 5.240 13.976 ( -5.518 21.008 0.000) 21.721 14.286 ( 1.085 41.004 0.000) 41.019 14.661 ( 22.017 8.978 -0.000) 23.777 22.479 ( -3.578 -32.432 -0.000) 32.628 22.833 ( -3.036 -29.807 -0.000) 29.962 30.909 ( -8.536 7.127 0.000) 11.120 44.074 ( 0.145 1.508 0.000) 1.515 ======================= Grid point 179 (145/290) ======================= q-point: (-0.39 -0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 6.930 -16.445 -1.496) 17.908 2.321 ( 15.746 -15.346 -6.107) 22.820 3.168 ( 1.088 -5.589 -14.912) 15.962 3.308 ( 11.271 -1.415 4.101) 12.077 4.080 ( 2.885 -32.563 -19.558) 38.094 5.941 ( -4.080 4.245 19.586) 20.452 6.459 ( -15.752 -14.566 7.318) 22.668 7.122 ( 9.727 -13.692 12.845) 21.145 7.807 ( 4.144 0.270 -2.369) 4.781 8.094 ( 11.968 -6.785 6.388) 15.169 9.290 ( 3.575 -20.536 18.644) 27.966 11.114 ( -11.878 -12.736 -6.529) 18.599 11.781 ( 3.395 -20.593 -16.954) 26.889 12.846 ( 4.491 -5.995 11.000) 13.308 13.535 ( -9.697 -21.017 -14.558) 27.344 14.097 ( -8.587 -9.587 -12.241) 17.762 14.932 ( 29.384 14.135 -9.072) 33.845 22.874 ( -3.067 17.045 2.827) 17.548 23.917 ( -9.457 45.580 -15.482) 49.058 30.334 ( -6.132 -18.556 14.088) 24.091 44.037 ( 1.161 -1.515 0.386) 1.947 ======================= Grid point 180 (146/290) ======================= q-point: (-0.39 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 10.498 -11.286 -2.614) 15.634 2.485 ( 22.087 -17.397 -14.811) 31.778 3.063 ( 0.005 -6.235 -7.749) 9.945 3.553 ( 14.555 -2.458 5.970) 15.923 3.736 ( 20.059 -20.523 -23.858) 37.320 5.794 ( -6.891 -2.570 19.899) 21.215 6.313 ( 6.052 9.799 4.013) 12.196 7.103 ( 8.966 -7.217 5.957) 12.960 7.868 ( 8.169 -5.692 1.109) 10.018 8.360 ( 14.770 1.313 7.597) 16.661 9.025 ( 10.384 -17.511 20.214) 28.689 10.674 ( -8.222 -8.307 -13.308) 17.712 11.381 ( 9.195 -28.749 -11.701) 32.372 12.826 ( -1.756 -10.440 0.670) 10.608 13.065 ( -0.170 -7.624 1.050) 7.698 13.894 ( -4.400 2.877 -17.588) 18.357 15.993 ( 28.222 27.557 -0.213) 39.445 23.001 ( -3.667 4.547 2.650) 6.415 24.381 ( -23.532 34.699 -19.915) 46.415 29.783 ( -5.499 -22.165 8.593) 24.400 44.064 ( 1.781 0.636 1.700) 2.543 ======================= Grid point 181 (147/290) ======================= q-point: ( 0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 3.575 6.626 0.000) 7.529 3.063 ( 30.045 7.114 -0.000) 30.875 3.443 ( 10.312 5.512 -0.000) 11.693 3.783 ( 5.621 9.308 0.000) 10.873 4.565 ( -6.447 16.446 0.000) 17.665 5.872 ( -9.557 -7.851 0.000) 12.368 7.258 ( -13.587 24.124 0.000) 27.687 7.287 ( 1.418 -11.239 -0.000) 11.328 8.173 ( -5.353 1.794 0.000) 5.645 8.662 ( 7.257 6.668 -0.000) 9.855 10.628 ( -13.715 -5.383 0.000) 14.734 10.712 ( 12.974 14.052 -0.000) 19.126 11.158 ( -15.177 3.034 0.000) 15.478 12.972 ( -0.451 0.565 0.000) 0.722 14.145 ( -14.742 16.349 0.000) 22.014 14.884 ( 27.262 -1.872 -0.000) 27.326 15.542 ( -2.363 49.384 0.000) 49.441 21.742 ( -2.943 -34.317 -0.000) 34.443 22.239 ( -1.957 -23.851 -0.000) 23.932 30.836 ( -10.759 5.414 0.000) 12.045 44.065 ( -2.693 0.035 0.000) 2.694 ======================= Grid point 182 (148/290) ======================= q-point: ( 0.11 -0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 5.735 1.933 -0.000) 6.052 3.767 ( 27.517 3.013 -0.000) 27.682 3.785 ( 15.312 1.449 -0.000) 15.381 4.058 ( 1.052 10.979 0.000) 11.029 4.569 ( -8.816 2.519 0.000) 9.169 5.513 ( -12.984 -4.841 0.000) 13.858 6.966 ( -5.054 -18.985 -0.000) 19.646 7.456 ( -13.871 25.830 0.000) 29.319 8.028 ( -6.510 -3.158 0.000) 7.236 8.944 ( 9.017 4.169 -0.000) 9.934 10.168 ( -17.876 -7.784 0.000) 19.497 10.816 ( -16.074 -3.686 0.000) 16.492 11.290 ( 13.445 16.447 -0.000) 21.244 12.833 ( -10.383 -2.862 0.000) 10.770 13.976 ( -23.753 7.184 0.000) 24.816 15.476 ( 34.642 -2.769 -0.000) 34.752 16.249 ( -11.165 33.860 0.000) 35.654 21.116 ( 0.285 -23.966 -0.000) 23.968 21.875 ( 1.339 -12.072 -0.000) 12.146 30.666 ( -12.183 1.558 0.000) 12.282 43.971 ( -5.330 -0.737 0.000) 5.381 ======================= Grid point 183 (149/290) ======================= q-point: (-0.39 -0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 13.892 -4.825 -6.904) 16.246 2.533 ( 17.640 -12.796 -13.904) 25.850 2.930 ( -1.386 -5.408 -0.418) 5.599 3.716 ( 8.817 -3.056 -0.803) 9.366 4.206 ( 39.003 -2.693 -13.358) 41.314 5.701 ( -2.858 0.926 21.595) 21.802 6.840 ( 15.956 14.000 9.678) 23.329 7.251 ( 13.902 -0.111 -6.118) 15.190 7.918 ( 13.123 -11.431 -6.383) 18.537 8.692 ( 9.826 8.745 16.086) 20.779 9.144 ( 19.530 -5.235 11.802) 23.412 10.408 ( -6.028 -6.788 -21.558) 23.391 11.163 ( 16.375 -18.139 -7.302) 25.505 12.528 ( -1.875 -8.456 17.742) 19.744 13.040 ( -2.920 0.989 -9.524) 10.011 14.005 ( 6.571 4.419 -12.070) 14.435 16.967 ( 18.903 18.968 7.462) 27.800 22.989 ( 0.251 -0.032 0.677) 0.723 24.300 ( -29.481 15.200 -19.370) 38.411 29.390 ( 2.438 -12.885 1.362) 13.184 44.106 ( 0.167 1.081 2.149) 2.411 ======================= Grid point 184 (150/290) ======================= q-point: (-0.39 -0.11 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 9.120 -0.000 -6.963) 11.475 2.822 ( -2.589 0.000 1.759) 3.130 2.856 ( 22.170 -0.000 -7.066) 23.268 3.843 ( 6.558 0.000 -0.601) 6.585 4.978 ( 34.257 0.000 -4.708) 34.579 5.626 ( -5.686 0.000 12.215) 13.474 7.312 ( 17.279 0.000 17.071) 24.290 7.648 ( 17.185 -0.000 -10.808) 20.301 8.051 ( 14.701 -0.000 -13.152) 19.726 9.069 ( 11.808 0.000 16.899) 20.615 9.429 ( 11.863 0.000 3.646) 12.410 10.205 ( -2.987 -0.000 -20.921) 21.133 11.358 ( 17.887 -0.000 -4.930) 18.554 12.423 ( -2.424 0.000 32.006) 32.097 12.967 ( -4.239 -0.000 -20.828) 21.255 14.239 ( 9.502 -0.000 -5.454) 10.956 17.499 ( 16.353 0.000 6.170) 17.478 23.027 ( 2.292 0.000 0.005) 2.292 23.862 ( -25.006 -0.000 -14.125) 28.719 29.362 ( 5.251 0.000 -0.190) 5.254 44.106 ( -1.208 0.000 1.306) 1.779 ======================= Grid point 185 (151/290) ======================= q-point: ( 0.11 -0.11 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 9.018 -1.679 -0.000) 9.173 4.096 ( 10.162 0.826 -0.000) 10.196 4.205 ( 4.091 -0.224 -0.000) 4.098 4.246 ( 1.078 7.485 0.000) 7.562 4.456 ( 7.244 -4.119 -0.000) 8.333 5.189 ( -10.486 -0.758 0.000) 10.513 6.360 ( -10.070 -23.818 -0.000) 25.859 7.686 ( -14.667 27.001 0.000) 30.727 7.826 ( -4.992 -4.266 0.000) 6.566 9.179 ( 8.737 0.902 -0.000) 8.784 9.629 ( -18.188 -6.818 0.000) 19.424 10.405 ( -14.526 -4.787 0.000) 15.294 11.882 ( 10.666 17.967 0.000) 20.894 12.508 ( -13.852 -2.180 0.000) 14.022 13.481 ( -27.557 -2.048 0.000) 27.633 16.154 ( 28.560 -0.702 -0.000) 28.568 16.346 ( -8.126 1.486 0.000) 8.261 20.906 ( 2.274 0.045 -0.000) 2.274 21.812 ( 2.976 -0.080 -0.000) 2.978 30.412 ( -11.707 -1.460 0.000) 11.798 43.838 ( -6.201 -0.062 0.000) 6.202 ======================= Grid point 186 (152/290) ======================= q-point: (-0.89 -0.11 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 11.114 -5.216 -0.000) 12.277 4.055 ( -6.508 -4.374 0.000) 7.841 4.119 ( -4.925 -2.016 0.000) 5.322 4.473 ( 7.249 4.764 -0.000) 8.675 4.515 ( 3.289 -6.694 -0.000) 7.458 5.199 ( 4.116 7.812 0.000) 8.830 5.838 ( -0.771 -12.028 -0.000) 12.052 7.692 ( -1.756 -1.457 0.000) 2.282 7.843 ( -19.294 23.519 0.000) 30.420 9.311 ( -6.393 4.697 0.000) 7.933 9.341 ( 7.140 -0.849 -0.000) 7.190 10.068 ( -12.336 -0.404 0.000) 12.343 12.260 ( -9.384 2.684 0.000) 9.761 12.364 ( -1.130 14.022 0.000) 14.067 12.866 ( -17.746 -4.829 0.000) 18.391 15.804 ( -9.188 -25.725 -0.000) 27.317 16.838 ( 25.793 2.375 -0.000) 25.902 21.142 ( 0.798 18.315 0.000) 18.333 21.939 ( 1.264 7.243 0.000) 7.352 30.159 ( -8.324 -2.444 0.000) 8.676 43.733 ( -5.117 1.759 0.000) 5.411 ======================= Grid point 190 (153/290) ======================= q-point: ( 0.11 0.89 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 8.929 -8.842 -0.000) 12.566 3.820 ( -4.432 -8.256 -0.000) 9.370 3.908 ( -6.496 -5.272 0.000) 8.366 4.492 ( 5.002 -1.657 -0.000) 5.269 4.655 ( 1.787 2.627 0.000) 3.177 5.488 ( 2.987 11.585 0.000) 11.964 6.005 ( 16.627 12.204 -0.000) 20.625 7.711 ( 1.982 2.956 0.000) 3.559 7.814 ( -21.086 17.571 0.000) 27.447 9.447 ( 4.772 -0.944 -0.000) 4.865 9.599 ( 3.975 24.333 0.000) 24.656 9.910 ( -4.617 3.138 0.000) 5.583 11.965 ( -23.302 -10.603 0.000) 25.601 12.249 ( -2.870 9.432 0.000) 9.859 12.994 ( 5.258 12.903 0.000) 13.933 15.025 ( -4.751 -37.454 -0.000) 37.755 17.317 ( 13.828 4.127 -0.000) 14.430 21.575 ( -0.489 24.448 0.000) 24.453 22.113 ( -1.329 10.372 0.000) 10.457 29.992 ( -3.231 -2.421 0.000) 4.038 43.705 ( -2.707 3.732 0.000) 4.610 ======================= Grid point 192 (154/290) ======================= q-point: ( 0.11 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -0.089 -12.157 -0.000) 12.158 3.551 ( -1.931 -12.570 -0.000) 12.717 3.730 ( -1.195 -4.494 -0.000) 4.650 4.631 ( -4.394 -1.586 0.000) 4.672 4.673 ( 10.909 2.631 -0.000) 11.222 5.728 ( -4.621 13.873 0.000) 14.622 6.807 ( 20.251 22.660 -0.000) 30.391 7.686 ( -22.140 15.555 0.000) 27.058 7.870 ( 3.795 6.974 0.000) 7.939 9.499 ( 1.162 -0.117 -0.000) 1.168 9.866 ( -8.281 10.480 0.000) 13.357 10.377 ( 16.784 22.737 0.000) 28.261 11.281 ( -17.293 -15.419 0.000) 23.168 12.522 ( 4.045 17.328 0.000) 17.794 13.297 ( 1.674 9.864 0.000) 10.005 14.196 ( -2.676 -38.603 -0.000) 38.696 17.561 ( -0.015 6.421 0.000) 6.421 22.050 ( 0.092 24.195 0.000) 24.195 22.301 ( -1.125 12.133 0.000) 12.186 29.918 ( 0.932 -3.413 -0.000) 3.538 43.764 ( 0.049 4.903 0.000) 4.903 ======================= Grid point 193 (155/290) ======================= q-point: ( 0.61 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 0.000 13.760 -0.000) 13.760 3.281 ( 0.000 14.563 -0.000) 14.563 3.780 ( 0.000 0.664 0.000) 0.664 4.198 ( 0.000 5.061 -0.000) 5.061 5.027 ( 0.000 -4.501 -0.000) 4.501 5.898 ( 0.000 -9.075 0.000) 9.075 7.371 ( 0.000 -17.985 0.000) 17.985 7.840 ( -0.000 -7.710 -0.000) 7.710 8.039 ( -0.000 -26.068 -0.000) 26.068 9.559 ( 0.000 11.537 -0.000) 11.537 9.875 ( 0.000 -1.877 0.000) 1.877 10.556 ( 0.000 -0.238 -0.000) 0.238 11.939 ( 0.000 -0.215 -0.000) 0.215 12.019 ( 0.000 -24.857 0.000) 24.857 13.397 ( 0.000 36.154 -0.000) 36.154 13.833 ( 0.000 -16.797 -0.000) 16.797 17.716 ( 0.000 -9.282 -0.000) 9.282 22.488 ( 0.000 -20.225 -0.000) 20.225 22.555 ( 0.000 -13.407 -0.000) 13.407 29.831 ( 0.000 5.409 -0.000) 5.409 43.862 ( 0.000 -4.910 -0.000) 4.910 ======================= Grid point 195 (156/290) ======================= q-point: ( 0.61 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( -3.613 11.980 -1.211) 12.572 3.532 ( -2.139 10.091 2.484) 10.610 3.796 ( 0.194 5.927 1.766) 6.187 4.305 ( -0.727 6.158 -2.095) 6.546 4.971 ( 3.684 -6.302 -4.154) 8.400 5.599 ( -9.305 -10.184 4.072) 14.383 6.744 ( -19.689 -17.996 -14.626) 30.421 7.645 ( 8.913 -16.758 15.065) 24.232 7.803 ( 4.579 -9.079 -1.885) 10.341 9.577 ( -10.433 1.741 -0.040) 10.578 9.779 ( -2.214 -5.113 2.949) 6.304 10.444 ( 4.341 -12.266 -9.571) 16.152 11.656 ( 0.929 -10.204 22.339) 24.577 12.113 ( 15.584 1.102 -12.657) 20.107 13.485 ( -2.905 -14.737 -1.700) 15.117 14.200 ( 3.335 41.007 2.410) 41.213 17.422 ( -13.300 -6.822 0.008) 14.948 22.062 ( 1.230 -24.381 -0.074) 24.412 22.334 ( 3.124 -13.376 0.932) 13.767 29.947 ( 2.734 4.216 -0.775) 5.085 43.789 ( 2.365 -4.678 -0.049) 5.242 ======================= Grid point 196 (157/290) ======================= q-point: ( 0.11 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -1.959 -10.994 -0.000) 11.167 3.240 ( -1.305 -16.422 -0.000) 16.474 3.592 ( -5.131 -5.339 0.000) 7.405 4.455 ( -7.075 -3.063 0.000) 7.709 5.005 ( 13.821 3.902 -0.000) 14.361 5.797 ( -14.673 12.611 0.000) 19.348 7.416 ( 6.023 7.836 -0.000) 9.883 7.534 ( -22.449 16.846 0.000) 28.066 8.173 ( 4.131 15.575 0.000) 16.114 9.482 ( -4.505 1.490 0.000) 4.745 9.861 ( -5.885 3.171 0.000) 6.685 10.673 ( -9.198 -18.296 -0.000) 20.478 11.083 ( 11.436 17.430 0.000) 20.847 12.992 ( 10.461 3.632 -0.000) 11.074 13.438 ( -2.007 5.099 0.000) 5.480 13.494 ( -5.586 -15.036 -0.000) 16.040 17.587 ( -12.219 10.084 0.000) 15.843 22.503 ( 1.312 20.014 0.000) 20.057 22.565 ( 3.066 13.261 0.000) 13.611 29.861 ( 2.061 -6.549 -0.000) 6.866 43.885 ( 2.071 4.729 0.000) 5.163 ======================= Grid point 197 (158/290) ======================= q-point: ( 0.11 -0.11 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -5.152 -18.987 -0.000) 19.674 2.910 ( -0.625 -6.627 -0.000) 6.657 3.259 ( -14.651 -7.855 0.000) 16.624 4.250 ( -7.257 -2.591 0.000) 7.705 5.264 ( -6.196 3.751 0.000) 7.243 5.674 ( -6.826 7.359 0.000) 10.037 7.425 ( -20.890 17.234 0.000) 27.082 7.457 ( -3.362 -2.383 0.000) 4.121 8.510 ( -2.862 14.638 0.000) 14.915 9.353 ( -11.417 2.661 0.000) 11.723 9.727 ( -6.835 -3.455 0.000) 7.659 10.198 ( -2.491 -18.399 -0.000) 18.567 11.494 ( 1.679 8.679 0.000) 8.840 12.642 ( 3.059 -29.334 -0.000) 29.493 13.427 ( -4.534 1.131 0.000) 4.673 13.714 ( -2.989 21.145 0.000) 21.355 17.505 ( -18.156 15.298 0.000) 23.741 22.853 ( 1.449 12.126 0.000) 12.212 22.945 ( 9.190 12.192 -0.000) 15.268 29.720 ( 0.160 -10.497 -0.000) 10.498 44.018 ( 2.778 3.406 -0.000) 4.395 ======================= Grid point 198 (159/290) ======================= q-point: ( 0.61 -0.11 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -7.209 9.114 -5.591) 12.896 3.574 ( -4.318 4.936 7.469) 9.939 4.080 ( 6.292 12.001 2.262) 13.738 4.353 ( -5.821 3.941 -0.997) 7.100 4.886 ( 0.675 -8.957 -7.910) 11.969 5.214 ( -7.884 -6.572 6.671) 12.241 6.231 ( -7.935 0.550 -20.162) 21.674 7.531 ( 8.785 -14.065 18.817) 25.081 7.778 ( 6.240 -5.767 -0.987) 8.554 9.363 ( -4.461 -2.093 1.645) 5.195 9.619 ( -1.577 -5.593 -0.747) 5.859 10.414 ( 10.597 -6.308 -12.967) 17.895 11.567 ( 0.433 -2.619 19.847) 20.024 12.596 ( 23.828 3.718 1.681) 24.175 13.159 ( -0.929 -12.186 -5.904) 13.573 15.112 ( 6.702 40.632 1.480) 41.207 16.906 ( -25.203 -4.871 0.073) 25.669 21.594 ( 1.221 -25.997 -0.070) 26.025 22.132 ( 1.759 -12.905 0.684) 13.042 30.127 ( 7.399 3.686 -1.303) 8.368 43.784 ( 4.621 -3.233 -0.070) 5.640 ======================= Grid point 199 (160/290) ======================= q-point: ( 0.61 -0.11 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -6.717 6.352 -7.993) 12.221 3.592 ( -2.455 3.741 8.975) 10.028 4.148 ( -13.688 0.200 -0.718) 13.708 4.304 ( -15.318 4.336 1.625) 16.002 4.757 ( 10.133 -1.597 0.571) 10.274 5.128 ( 5.599 -3.126 -1.216) 6.527 6.432 ( 5.757 15.804 -20.173) 26.265 7.475 ( 12.937 -12.773 19.698) 26.806 7.827 ( 5.470 -1.288 -1.689) 5.867 9.276 ( -9.917 2.399 2.881) 10.602 9.662 ( 18.008 -2.804 -5.533) 19.047 10.597 ( 11.370 0.535 -7.718) 13.752 11.514 ( -1.592 -2.492 14.199) 14.504 12.843 ( 2.784 -5.682 2.359) 6.752 13.371 ( 29.183 3.158 -2.776) 29.484 15.982 ( 4.691 26.708 0.093) 27.117 16.240 ( -26.634 -0.073 0.604) 26.640 21.127 ( -0.670 -20.844 0.012) 20.855 21.907 ( -1.502 -9.583 0.093) 9.701 30.387 ( 11.175 2.660 -1.113) 11.541 43.851 ( 5.915 -1.309 -0.052) 6.059 ======================= Grid point 200 (161/290) ======================= q-point: ( 0.11 -0.11 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -12.751 -15.884 0.000) 20.369 2.636 ( -24.649 -4.926 0.000) 25.137 2.901 ( 2.438 -4.639 -0.000) 5.240 4.045 ( -8.677 -1.758 0.000) 8.853 4.737 ( -41.229 1.103 0.000) 41.243 5.948 ( 15.404 3.217 -0.000) 15.736 7.285 ( -6.384 -3.256 0.000) 7.167 7.300 ( -20.133 12.233 0.000) 23.558 8.571 ( -9.937 4.687 0.000) 10.987 9.227 ( -9.798 10.282 0.000) 14.202 9.456 ( -10.161 -5.850 0.000) 11.724 9.797 ( -3.890 -17.356 -0.000) 17.786 11.322 ( -17.039 -8.684 0.000) 19.124 12.431 ( 11.065 -6.715 -0.000) 12.943 13.316 ( -5.855 -0.898 0.000) 5.923 13.848 ( -13.239 8.968 0.000) 15.990 17.484 ( -14.528 17.386 0.000) 22.657 23.011 ( -0.162 2.419 0.000) 2.424 23.391 ( 14.215 7.785 -0.000) 16.207 29.471 ( -3.047 -10.935 -0.000) 11.352 44.124 ( 2.608 1.795 -0.000) 3.166 ======================= Grid point 201 (162/290) ======================= q-point: ( 0.11 -0.11 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -20.571 -0.000 0.000) 20.571 1.974 ( -31.103 -0.000 0.000) 31.103 2.947 ( 4.138 0.000 -0.000) 4.138 3.750 ( -53.003 -0.000 0.000) 53.003 3.830 ( -10.096 -0.000 0.000) 10.096 6.316 ( 16.056 0.000 -0.000) 16.056 7.033 ( -18.600 -0.000 0.000) 18.600 7.117 ( -5.802 -0.000 0.000) 5.802 8.368 ( -11.287 -0.000 0.000) 11.287 9.119 ( -13.692 -0.000 0.000) 13.692 9.310 ( -7.755 -0.000 0.000) 7.755 9.379 ( -5.743 -0.000 0.000) 5.743 10.770 ( -21.823 -0.000 0.000) 21.823 12.617 ( 9.714 0.000 -0.000) 9.714 13.180 ( -5.509 -0.000 0.000) 5.509 13.567 ( -20.118 -0.000 0.000) 20.118 17.496 ( -6.226 -0.000 0.000) 6.226 22.979 ( -2.325 -0.000 0.000) 2.325 23.789 ( 15.698 0.000 -0.000) 15.698 29.246 ( -5.109 -0.000 0.000) 5.109 44.194 ( 2.298 0.000 -0.000) 2.298 ======================= Grid point 202 (163/290) ======================= q-point: ( 0.61 -0.11 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -5.303 -0.000 -0.000) 5.303 3.580 ( -4.315 -0.000 0.000) 4.315 3.839 ( -13.182 0.000 0.000) 13.182 3.843 ( -26.425 -0.000 -0.000) 26.425 5.084 ( 15.468 -0.000 0.000) 15.468 5.230 ( 6.840 -0.000 -0.000) 6.840 6.742 ( 6.304 -0.000 0.000) 6.304 7.661 ( 14.780 -0.000 -0.000) 14.780 7.952 ( 7.469 -0.000 -0.000) 7.469 9.038 ( -14.550 -0.000 -0.000) 14.550 10.096 ( 19.875 -0.000 -0.000) 19.875 10.861 ( 13.756 -0.000 -0.000) 13.756 11.418 ( -3.174 -0.000 -0.000) 3.174 12.873 ( 5.234 -0.000 -0.000) 5.234 14.049 ( 30.153 -0.000 0.000) 30.153 15.443 ( -35.404 -0.000 -0.000) 35.404 16.621 ( 13.986 -0.000 -0.000) 13.986 20.860 ( -2.081 -0.000 -0.000) 2.081 21.750 ( -2.980 -0.000 -0.000) 2.980 30.661 ( 11.930 -0.000 -0.000) 11.930 43.963 ( 5.687 -0.000 -0.000) 5.687 ======================= Grid point 208 (164/290) ======================= q-point: ( 0.38 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 0.000 2.643 0.122) 2.646 3.012 ( 0.000 -6.599 14.152) 15.615 3.059 ( -0.000 -1.789 -0.196) 1.800 4.052 ( -0.000 9.268 -25.776) 27.391 5.161 ( 0.000 -0.323 19.538) 19.540 5.823 ( -0.000 -3.394 -13.252) 13.679 7.037 ( 0.000 -8.153 19.950) 21.551 8.149 ( 0.000 5.467 2.088) 5.852 8.354 ( -0.000 2.460 -21.903) 22.041 8.406 ( -0.000 -6.678 -2.078) 6.994 10.242 ( -0.000 -9.952 1.795) 10.113 11.140 ( 0.000 9.477 13.471) 16.470 12.025 ( 0.000 0.993 0.071) 0.996 13.031 ( -0.000 4.058 -7.951) 8.927 14.070 ( -0.000 -0.106 -0.008) 0.106 15.122 ( 0.000 4.866 0.862) 4.942 17.150 ( 0.000 0.549 0.237) 0.598 20.791 ( 0.000 0.327 -0.017) 0.328 21.640 ( -0.000 -0.498 0.016) 0.498 31.108 ( -0.000 -2.511 -0.018) 2.512 44.154 ( -0.000 -0.024 -0.000) 0.024 ======================= Grid point 209 (165/290) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -0.000 -0.000 -32.840) 32.840 0.736 ( -0.000 -0.000 -35.973) 35.973 1.278 ( -0.000 -0.000 -63.529) 63.529 3.054 ( 0.000 0.000 3.457) 3.457 3.323 ( 0.000 0.000 5.144) 5.144 5.744 ( -0.000 -0.000 -3.405) 3.405 6.406 ( -0.000 -0.000 -5.610) 5.610 6.788 ( 0.000 0.000 15.343) 15.343 7.818 ( 0.000 0.000 8.888) 8.888 7.827 ( 0.000 0.000 1.669) 1.669 8.795 ( 0.000 0.000 18.651) 18.651 10.052 ( -0.000 -0.000 -10.537) 10.537 10.714 ( -0.000 -0.000 -4.280) 4.280 12.534 ( 0.000 0.000 0.025) 0.025 13.018 ( 0.000 0.000 2.512) 2.512 14.506 ( -0.000 -0.000 -0.056) 0.056 16.117 ( -0.000 -0.000 -1.630) 1.630 22.892 ( 0.000 0.000 0.036) 0.036 26.566 ( 0.000 0.000 0.186) 0.186 29.074 ( -0.000 -0.000 -0.479) 0.479 43.940 ( -0.000 -0.000 -0.014) 0.014 ======================= Grid point 211 (166/290) ======================= q-point: (-0.62 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 17.686 -0.642 -2.155) 17.828 2.826 ( 0.690 -11.834 12.976) 17.575 3.178 ( 11.970 0.356 2.416) 12.217 4.113 ( -1.381 -1.265 -27.824) 27.887 5.149 ( -3.352 2.740 21.331) 21.766 5.653 ( -5.082 -8.514 -10.673) 14.568 6.767 ( -8.725 -11.082 18.819) 23.518 8.044 ( -5.504 -10.150 -5.069) 12.610 8.255 ( -1.472 -1.605 1.834) 2.847 8.470 ( 10.411 -4.481 -13.572) 17.682 9.990 ( 0.313 -15.226 10.714) 18.620 11.467 ( 5.616 15.882 2.434) 17.021 11.780 ( -17.659 -3.620 -1.734) 18.110 13.093 ( -1.988 1.947 -7.511) 8.010 14.285 ( 17.288 3.199 0.100) 17.582 14.959 ( -12.554 -7.490 -2.763) 14.877 16.657 ( -4.940 -39.446 -0.413) 39.756 21.127 ( -0.337 29.371 -0.133) 29.374 21.834 ( 0.544 18.899 0.046) 18.907 30.958 ( -5.142 -7.167 1.837) 9.011 44.123 ( -1.933 -0.854 0.026) 2.114 ======================= Grid point 212 (167/290) ======================= q-point: (-0.62 -0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 6.056 -15.032 11.823) 20.060 3.213 ( 25.534 -2.422 -4.710) 26.077 3.513 ( 17.159 1.274 3.195) 17.500 3.989 ( -1.288 -7.431 -23.305) 24.495 5.066 ( -7.287 -2.814 9.116) 12.005 5.366 ( -5.875 -4.805 1.514) 7.739 6.248 ( -15.936 -13.656 14.989) 25.789 7.711 ( -1.710 -13.152 1.404) 13.337 8.229 ( 2.740 -1.815 -12.090) 12.528 8.636 ( 15.347 -5.651 -1.610) 16.434 9.676 ( -1.312 -15.958 15.634) 22.379 11.238 ( -22.602 -4.241 -3.749) 23.300 11.953 ( 7.417 15.804 -8.469) 19.404 13.019 ( -4.712 -0.466 -1.120) 4.865 14.357 ( -20.407 -15.996 -4.967) 26.401 14.827 ( 25.381 -1.790 1.602) 25.495 15.712 ( -1.987 -39.010 -2.647) 39.150 21.734 ( -2.742 32.997 0.095) 33.111 22.323 ( -3.006 31.202 -1.311) 31.374 30.637 ( -7.839 -11.111 3.152) 13.958 44.057 ( -2.815 -0.356 0.110) 2.839 ======================= Grid point 215 (168/290) ======================= q-point: (-0.62 -0.12 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 12.393 -13.788 9.572) 20.864 3.594 ( 14.253 -5.930 -11.221) 19.084 3.792 ( 1.895 -13.401 -11.181) 17.556 3.866 ( 16.082 -1.507 3.598) 16.548 4.835 ( -0.577 -5.744 -5.488) 7.965 5.252 ( -4.409 1.815 11.938) 12.854 5.821 ( -5.538 1.530 11.662) 13.000 7.519 ( 4.559 -8.838 3.084) 10.411 8.309 ( 7.009 -0.796 -18.633) 19.923 8.883 ( 17.884 -5.195 1.212) 18.663 9.333 ( -1.425 -13.792 20.239) 24.533 10.784 ( -15.371 0.265 -3.493) 15.765 12.292 ( 1.196 6.930 -21.259) 22.392 12.996 ( 4.356 0.925 11.804) 12.616 13.533 ( -24.413 -18.960 -3.319) 31.088 14.558 ( -0.171 -35.210 -2.983) 35.337 15.862 ( 27.789 10.508 -0.883) 29.723 22.244 ( -4.335 26.370 0.307) 26.725 22.832 ( -10.165 32.910 -3.281) 34.600 30.240 ( -6.680 -13.110 3.208) 15.060 44.006 ( -2.856 1.270 0.262) 3.137 ======================= Grid point 216 (169/290) ======================= q-point: (-0.62 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 14.865 -9.766 6.744) 19.021 3.452 ( -2.415 -15.398 -6.374) 16.839 3.606 ( 4.619 -13.746 -7.094) 16.143 4.066 ( 8.337 -3.507 -2.359) 9.347 4.901 ( 6.150 1.937 5.444) 8.439 5.333 ( 10.461 3.554 1.502) 11.150 6.195 ( 13.201 24.126 8.187) 28.695 7.572 ( 9.667 -0.426 0.360) 9.683 8.441 ( 4.148 1.012 -14.117) 14.749 8.966 ( 9.508 -13.464 2.194) 16.628 9.362 ( 16.243 0.305 13.664) 21.229 10.638 ( -5.299 5.504 -3.282) 8.316 12.300 ( 3.062 -7.722 -15.398) 17.496 12.613 ( -23.401 -20.171 6.188) 31.508 13.207 ( 7.587 -0.155 4.090) 8.621 14.054 ( -4.618 -7.215 -5.400) 10.126 16.695 ( 27.214 13.631 0.431) 30.439 22.594 ( -3.464 18.354 0.280) 18.680 23.141 ( -16.285 26.417 -4.464) 31.353 29.890 ( -2.498 -12.218 2.044) 12.637 43.990 ( -2.601 2.743 0.343) 3.796 ======================= Grid point 217 (170/290) ======================= q-point: (-0.12 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 5.808 6.287 -8.969) 12.398 3.298 ( 8.123 14.240 13.729) 21.383 3.741 ( 2.801 18.365 -5.609) 19.405 4.166 ( 9.040 2.176 1.353) 9.396 4.720 ( 22.609 -2.521 -8.368) 24.240 5.473 ( -12.860 -8.263 6.333) 16.546 6.455 ( 5.145 -0.791 13.411) 14.386 7.516 ( -0.534 -3.677 -7.545) 8.410 8.032 ( -1.363 -6.891 3.198) 7.718 9.064 ( 12.504 3.022 -3.453) 13.319 9.831 ( -8.745 1.253 2.540) 9.192 10.715 ( 3.018 8.741 8.647) 12.660 11.312 ( -3.497 -9.883 -19.770) 22.378 12.980 ( -10.903 -6.611 -0.253) 12.754 13.405 ( -2.808 -0.482 2.850) 4.030 14.311 ( -4.016 46.192 -3.775) 46.519 16.464 ( 29.982 -10.261 -0.059) 31.689 22.171 ( -3.936 -26.005 0.230) 26.302 22.513 ( -6.649 -19.776 -2.312) 20.992 30.210 ( -8.484 8.898 2.050) 12.464 43.945 ( -4.148 -3.135 0.215) 5.204 ======================= Grid point 218 (171/290) ======================= q-point: (-0.12 -0.12 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 6.439 5.864 -5.581) 10.344 3.655 ( 3.642 8.933 9.431) 13.491 3.997 ( -5.542 11.894 -5.982) 14.421 4.392 ( 8.103 2.784 2.429) 8.905 5.004 ( 8.781 -10.770 2.409) 14.103 5.090 ( -2.775 -4.114 -3.698) 6.189 6.607 ( 6.922 3.121 15.554) 17.308 7.180 ( -10.719 -18.819 -13.788) 25.674 7.853 ( -4.202 -4.545 4.370) 7.577 9.311 ( 7.330 -0.247 -2.885) 7.881 9.585 ( -5.893 -8.095 -3.111) 10.485 10.588 ( -11.910 -13.033 2.819) 17.879 11.313 ( 3.774 11.329 -4.610) 12.800 12.555 ( -15.118 -6.201 -2.027) 16.466 13.233 ( -4.742 -7.923 1.785) 9.404 15.087 ( -6.155 41.863 -0.942) 42.323 16.905 ( 25.261 -4.867 -0.045) 25.726 21.595 ( -1.234 -26.066 0.053) 26.095 22.120 ( -1.475 -12.080 -0.480) 12.180 30.150 ( -8.039 3.216 0.922) 8.708 43.785 ( -4.672 -3.284 0.054) 5.711 ======================= Grid point 219 (172/290) ======================= q-point: (-0.62 -0.12 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 8.776 -8.449 2.770) 12.493 3.099 ( -1.803 -14.546 -2.095) 14.806 3.466 ( 6.664 -9.486 0.256) 11.596 4.151 ( 6.073 -1.683 -10.161) 11.957 4.999 ( -1.117 2.430 14.650) 14.892 5.770 ( 18.208 6.101 -8.430) 20.972 7.015 ( 17.631 18.784 11.443) 28.189 7.914 ( 11.600 11.770 -10.372) 19.511 8.534 ( 0.860 6.707 5.555) 8.751 8.994 ( 14.053 -9.225 -7.152) 18.268 9.704 ( 13.612 -0.262 2.473) 13.837 10.667 ( -2.026 0.434 -9.948) 10.161 11.826 ( -17.312 -13.004 24.205) 32.476 12.184 ( 9.546 -16.569 -3.866) 19.509 13.277 ( 0.360 1.263 -16.461) 16.513 14.091 ( -0.774 12.101 3.282) 12.562 17.455 ( 20.162 12.802 0.879) 23.899 22.844 ( -0.928 12.299 0.113) 12.335 23.209 ( -17.008 16.791 -4.169) 24.261 29.674 ( 1.388 -8.856 0.748) 8.995 44.000 ( -2.005 3.095 0.255) 3.696 ======================= Grid point 220 (173/290) ======================= q-point: (-0.62 -0.12 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 2.713 -7.087 0.359) 7.597 2.835 ( -2.032 -8.248 -1.068) 8.562 3.532 ( 8.551 -2.381 7.098) 11.365 4.253 ( 4.824 -0.387 -16.268) 16.972 4.986 ( -1.894 0.957 15.522) 15.667 6.183 ( 9.971 4.220 -10.589) 15.145 7.518 ( 10.537 4.759 17.421) 20.908 8.236 ( 2.343 2.919 -8.386) 9.183 8.928 ( 6.333 21.668 2.624) 22.726 9.137 ( 10.164 -1.267 -14.248) 17.548 9.823 ( 2.322 -6.947 -6.941) 10.091 10.429 ( -6.733 -11.217 -4.798) 13.934 11.557 ( 0.687 1.889 35.122) 35.180 12.070 ( 6.979 -12.580 0.942) 14.417 13.318 ( -1.900 3.683 -25.856) 26.186 14.330 ( 0.757 9.856 7.481) 12.397 17.986 ( 10.737 8.020 0.696) 13.419 23.032 ( 0.542 6.884 0.012) 6.906 23.139 ( -11.807 7.689 -2.495) 14.309 29.585 ( 2.146 -4.533 0.098) 5.016 44.021 ( -1.041 2.057 0.108) 2.308 ======================= Grid point 221 (174/290) ======================= q-point: (-0.12 -0.12 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( 6.935 4.399 -2.720) 8.651 3.820 ( 1.403 3.755 5.164) 6.537 4.021 ( -7.662 5.226 -3.676) 9.977 4.578 ( 3.179 2.772 2.654) 4.984 4.739 ( -4.238 -6.314 -0.156) 7.606 5.179 ( 7.471 -4.574 -1.944) 8.974 6.494 ( -13.207 -19.300 -14.477) 27.505 6.812 ( 5.088 3.465 16.095) 17.232 7.691 ( -3.432 -3.387 3.888) 6.194 9.188 ( -2.822 -11.692 -3.294) 12.471 9.499 ( 2.812 -0.507 -6.857) 7.428 10.048 ( -13.190 -9.741 2.160) 16.539 11.676 ( 6.636 12.131 3.633) 14.297 12.199 ( -12.353 -0.465 -1.518) 12.455 12.946 ( -3.172 -11.495 -0.653) 11.943 15.637 ( -4.870 25.100 -0.135) 25.568 17.257 ( 14.211 -1.933 -0.009) 14.342 21.158 ( 0.536 -16.787 0.014) 16.796 21.956 ( 0.780 -4.955 -0.062) 5.016 30.041 ( -5.129 0.465 0.241) 5.155 43.648 ( -3.014 -2.098 0.011) 3.672 ======================= Grid point 222 (175/290) ======================= q-point: (-0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 0.000 0.000 -0.055) 0.055 3.911 ( 0.000 0.000 0.175) 0.175 3.919 ( -0.000 0.000 0.289) 0.289 4.590 ( 0.000 0.000 -0.443) 0.443 4.674 ( 0.000 0.000 -0.438) 0.438 5.206 ( 0.000 0.000 0.086) 0.086 6.131 ( 0.000 0.000 -14.637) 14.637 6.906 ( 0.000 0.000 16.268) 16.268 7.615 ( 0.000 0.000 3.800) 3.800 9.016 ( 0.000 0.000 -6.094) 6.094 9.526 ( 0.000 0.000 -5.982) 5.982 9.803 ( 0.000 0.000 3.521) 3.521 11.975 ( 0.000 0.000 6.460) 6.460 11.995 ( -0.000 0.000 0.050) 0.050 12.764 ( 0.000 0.000 -3.998) 3.998 15.836 ( 0.000 0.000 0.056) 0.056 17.389 ( 0.000 0.000 -0.001) 0.001 20.995 ( 0.000 0.000 0.003) 0.003 21.922 ( 0.000 0.000 -0.006) 0.006 29.988 ( 0.000 0.000 -0.001) 0.001 43.594 ( 0.000 0.000 0.004) 0.004 ======================= Grid point 224 (176/290) ======================= q-point: ( 0.38 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 1.872 -0.000 -0.336) 1.902 2.700 ( -2.913 -0.000 0.325) 2.931 3.620 ( 0.501 0.000 8.271) 8.286 4.287 ( -1.696 -0.000 -16.647) 16.734 5.027 ( 5.949 0.000 12.336) 13.696 6.302 ( -2.782 -0.000 -10.498) 10.860 7.698 ( 2.856 0.000 19.848) 20.053 8.241 ( -3.842 -0.000 0.120) 3.843 9.138 ( -3.699 -0.000 -29.413) 29.645 9.503 ( 5.478 0.000 -0.122) 5.479 9.533 ( -4.600 -0.000 -3.270) 5.644 10.212 ( -4.449 0.000 8.947) 9.992 11.742 ( 10.759 0.000 29.848) 31.728 11.985 ( -1.397 -0.000 0.014) 1.397 13.306 ( -3.143 -0.000 -27.817) 27.994 14.440 ( -0.515 0.000 8.343) 8.358 18.187 ( 0.874 0.000 0.080) 0.877 23.054 ( -3.264 -0.000 -0.003) 3.264 23.110 ( -0.005 -0.000 0.000) 0.005 29.566 ( -0.010 -0.000 -0.000) 0.010 44.032 ( 0.125 0.000 -0.005) 0.125 ======================= Grid point 237 (177/290) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 15.305 0.000) 15.305 2.582 ( 0.000 21.451 0.000) 21.451 3.233 ( -0.000 -3.036 -0.000) 3.036 3.395 ( 0.000 10.866 0.000) 10.866 4.153 ( 0.000 36.245 0.000) 36.245 6.270 ( -0.000 -11.557 -0.000) 11.557 7.125 ( 0.000 25.204 0.000) 25.204 7.371 ( -0.000 -4.032 -0.000) 4.032 8.196 ( 0.000 4.173 0.000) 4.173 8.381 ( 0.000 7.335 0.000) 7.335 10.149 ( 0.000 11.549 0.000) 11.549 10.991 ( -0.000 -3.354 -0.000) 3.354 11.439 ( 0.000 14.981 0.000) 14.981 12.839 ( 0.000 5.010 0.000) 5.010 14.035 ( 0.000 22.520 0.000) 22.520 14.283 ( -0.000 -4.998 -0.000) 4.998 14.397 ( 0.000 59.703 0.000) 59.703 22.518 ( -0.000 -33.456 -0.000) 33.456 22.865 ( -0.000 -30.813 -0.000) 30.813 31.003 ( 0.000 5.263 0.000) 5.263 44.071 ( 0.000 2.411 0.000) 2.411 ======================= Grid point 238 (178/290) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.000 -14.103 -13.454) 19.491 2.219 ( -0.000 -19.932 1.078) 19.961 3.149 ( 0.000 1.088 6.745) 6.832 3.189 ( -0.000 -6.650 -16.235) 17.544 4.051 ( -0.000 -35.313 -19.940) 40.554 5.980 ( 0.000 4.227 20.415) 20.848 6.741 ( -0.000 -25.513 -4.938) 25.987 6.920 ( 0.000 -7.894 26.882) 28.018 7.758 ( -0.000 3.496 -5.883) 6.844 7.967 ( 0.000 -10.217 10.232) 14.459 9.251 ( 0.000 -20.924 17.438) 27.238 11.256 ( -0.000 -13.052 -3.940) 13.634 11.731 ( -0.000 -24.452 -15.814) 29.121 12.798 ( 0.000 -6.587 11.942) 13.638 13.673 ( -0.000 -22.911 -13.909) 26.803 14.373 ( 0.000 4.327 0.039) 4.328 14.398 ( -0.000 2.676 -28.272) 28.398 22.907 ( 0.000 17.131 3.229) 17.433 24.020 ( 0.000 48.747 -16.351) 51.416 30.404 ( 0.000 -17.874 16.653) 24.429 44.022 ( -0.000 -2.379 0.025) 2.379 ======================= Grid point 239 (179/290) ======================= q-point: (-0.36 -0.14 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 6.259 -13.964 -11.898) 19.384 2.013 ( 19.570 -16.058 -16.468) 30.200 3.064 ( -0.049 -5.090 -10.279) 11.470 3.268 ( 10.160 -4.732 4.032) 11.911 3.455 ( 9.026 -27.895 -23.096) 37.323 5.960 ( -7.970 -4.021 18.072) 20.157 6.246 ( 0.254 -4.143 1.336) 4.360 6.922 ( 8.560 -7.079 11.880) 16.264 7.760 ( 1.932 -5.963 5.294) 8.204 8.043 ( 14.353 1.992 7.997) 16.550 8.865 ( 5.114 -22.069 20.480) 30.539 10.861 ( -9.280 -13.958 -8.492) 18.790 11.207 ( 7.875 -30.414 -10.555) 33.142 12.809 ( 2.570 -0.572 5.389) 5.997 13.133 ( -6.074 -19.023 -5.811) 20.797 14.097 ( -15.635 5.905 -17.763) 24.389 15.355 ( 33.094 29.506 -11.229) 45.737 23.071 ( -2.724 2.944 4.354) 5.920 24.814 ( -16.725 45.576 -22.513) 53.514 29.918 ( -6.673 -24.149 16.148) 29.807 44.013 ( 2.671 -0.860 0.900) 2.947 ======================= Grid point 240 (180/290) ======================= q-point: ( 0.14 -0.14 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 20.810 9.366 -0.000) 22.820 2.888 ( 1.759 7.681 0.000) 7.879 3.251 ( 7.257 -1.040 -0.000) 7.331 3.706 ( 2.185 16.297 0.000) 16.442 4.675 ( -3.829 19.413 0.000) 19.787 6.027 ( -5.235 -7.302 -0.000) 8.985 7.244 ( 2.181 -10.410 -0.000) 10.635 7.492 ( -8.315 22.176 0.000) 23.684 8.284 ( -5.031 5.972 0.000) 7.809 8.546 ( 4.177 6.190 0.000) 7.468 10.478 ( 8.735 13.042 0.000) 15.697 10.796 ( -3.954 -11.267 -0.000) 11.941 11.522 ( -16.705 11.686 0.000) 20.387 12.951 ( 1.679 4.031 0.000) 4.366 14.389 ( -8.342 20.613 0.000) 22.237 14.393 ( 18.597 -5.327 -0.000) 19.345 15.588 ( -1.554 58.453 0.000) 58.474 21.794 ( -1.946 -36.608 -0.000) 36.660 22.272 ( -1.145 -26.647 -0.000) 26.672 31.021 ( -6.645 4.299 0.000) 7.915 44.103 ( -1.112 1.357 0.000) 1.754 ======================= Grid point 241 (181/290) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 3.818 0.697 -0.000) 3.881 3.173 ( 28.274 4.363 -0.000) 28.608 3.462 ( 14.762 -1.556 -0.000) 14.844 4.056 ( -0.332 16.337 0.000) 16.341 4.751 ( -7.985 2.663 0.000) 8.417 5.763 ( -10.803 -3.424 0.000) 11.332 7.027 ( -0.949 -14.976 -0.000) 15.006 7.711 ( -10.331 21.535 0.000) 23.885 8.179 ( -8.154 -1.585 0.000) 8.306 8.778 ( 6.936 4.636 -0.000) 8.342 10.427 ( -7.580 -13.546 -0.000) 15.523 11.001 ( 13.810 15.731 -0.000) 20.933 11.245 ( -24.132 4.596 0.000) 24.565 12.993 ( -4.766 1.445 0.000) 4.980 14.433 ( -19.541 12.518 0.000) 23.207 14.799 ( 29.646 -4.008 -0.000) 29.916 16.464 ( -9.190 38.901 0.000) 39.972 21.115 ( -0.161 -27.116 -0.000) 27.116 21.851 ( 1.003 -14.911 -0.000) 14.945 30.902 ( -10.249 1.382 0.000) 10.342 44.066 ( -3.774 0.055 0.000) 3.775 ======================= Grid point 242 (182/290) ======================= q-point: (-0.36 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 12.871 -4.807 -15.104) 20.418 2.160 ( 19.407 -14.226 -20.074) 31.337 2.958 ( -1.288 -4.243 1.675) 4.740 3.421 ( 33.580 -10.891 -28.126) 45.137 3.514 ( 11.671 -1.577 4.484) 12.601 5.735 ( -1.501 -2.831 22.631) 22.857 6.554 ( 12.044 13.393 4.933) 18.676 6.995 ( 10.693 -4.552 1.117) 11.675 7.699 ( 7.663 -10.045 -2.077) 12.804 8.454 ( 14.305 7.116 14.750) 21.745 8.742 ( 17.051 -10.794 18.302) 27.243 10.541 ( -5.344 -4.351 -16.657) 18.026 10.869 ( 10.442 -21.583 -10.870) 26.325 12.568 ( -2.558 -12.061 6.108) 13.759 13.040 ( 2.956 1.386 -0.546) 3.310 13.975 ( -4.932 3.914 -17.945) 19.017 16.551 ( 22.158 26.225 7.377) 35.116 22.992 ( -0.567 -3.956 1.668) 4.331 24.961 ( -34.042 23.012 -24.507) 47.844 29.366 ( -0.451 -18.440 3.614) 18.796 44.079 ( 2.588 0.734 2.912) 3.964 ======================= Grid point 243 (183/290) ======================= q-point: (-0.36 -0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 12.356 -0.000 -12.733) 17.743 2.406 ( 20.774 -0.000 -14.685) 25.440 2.873 ( -2.288 0.000 3.919) 4.538 3.686 ( 8.702 -0.000 -2.062) 8.943 4.181 ( 41.505 -0.000 -13.235) 43.564 5.709 ( -1.645 0.000 22.566) 22.626 6.981 ( 14.024 0.000 18.160) 22.945 7.275 ( 18.268 -0.000 -11.997) 21.856 7.770 ( 11.995 -0.000 -10.128) 15.699 8.818 ( 12.086 0.000 20.443) 23.748 9.081 ( 21.044 0.000 8.958) 22.871 10.327 ( -8.302 -0.000 -25.257) 26.586 10.973 ( 18.764 -0.000 -6.595) 19.889 12.443 ( 0.171 0.000 21.644) 21.645 13.054 ( -3.166 -0.000 -11.202) 11.641 14.050 ( 7.205 -0.000 -11.763) 13.794 17.171 ( 15.422 0.000 10.392) 18.596 22.979 ( 2.345 0.000 0.020) 2.345 24.453 ( -32.302 -0.000 -20.997) 38.526 29.255 ( 4.903 0.000 -0.347) 4.916 44.117 ( 0.291 0.000 2.477) 2.494 ======================= Grid point 244 (184/290) ======================= q-point: ( 0.14 -0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 7.621 -4.233 -0.000) 8.718 3.781 ( 17.010 -0.170 -0.000) 17.011 3.806 ( 26.490 1.180 -0.000) 26.517 4.301 ( -3.623 12.597 0.000) 13.108 4.540 ( -8.185 -4.933 0.000) 9.557 5.442 ( -13.159 -3.075 0.000) 13.513 6.563 ( -9.036 -21.778 -0.000) 23.578 7.939 ( -9.379 22.848 0.000) 24.698 7.945 ( -6.621 -5.281 0.000) 8.469 8.993 ( 8.799 0.620 -0.000) 8.821 9.964 ( -12.580 -12.397 0.000) 17.662 10.779 ( -22.621 -0.602 0.000) 22.629 11.622 ( 13.978 17.480 -0.000) 22.382 12.797 ( -13.253 -0.846 0.000) 13.280 14.072 ( -28.392 2.188 0.000) 28.476 15.442 ( 35.429 -0.389 -0.000) 35.432 16.617 ( -13.907 1.131 0.000) 13.953 20.860 ( 2.077 0.150 -0.000) 2.083 21.750 ( 2.984 -0.285 -0.000) 2.997 30.661 ( -11.936 -2.080 0.000) 12.116 43.963 ( -5.686 -0.082 0.000) 5.686 ======================= Grid point 245 (185/290) ======================= q-point: (-0.86 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 11.605 -7.765 -0.000) 13.963 4.082 ( 10.060 -1.597 -0.000) 10.186 4.162 ( 0.804 -3.906 -0.000) 3.988 4.357 ( 8.402 -5.951 -0.000) 10.296 4.419 ( -3.520 9.511 0.000) 10.142 5.198 ( -4.830 1.307 0.000) 5.004 5.929 ( -7.873 -19.242 -0.000) 20.791 7.744 ( -3.164 -4.115 0.000) 5.190 8.187 ( -12.257 23.455 0.000) 26.464 9.165 ( 9.541 -2.315 -0.000) 9.818 9.487 ( -10.665 -7.624 0.000) 13.110 10.362 ( -16.458 0.295 0.000) 16.460 12.229 ( 10.900 17.443 0.000) 20.568 12.505 ( -13.789 1.881 0.000) 13.916 13.409 ( -30.708 -5.484 0.000) 31.194 15.981 ( -1.666 -24.856 -0.000) 24.912 16.257 ( 23.607 -0.609 -0.000) 23.615 21.127 ( 0.619 20.804 0.000) 20.813 21.909 ( 1.565 10.099 0.000) 10.219 30.359 ( -10.628 -4.068 0.000) 11.379 43.849 ( -5.886 1.230 0.000) 6.013 ======================= Grid point 249 (186/290) ======================= q-point: ( 0.14 0.86 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 12.956 -9.883 -0.000) 16.295 3.931 ( -6.025 -8.479 -0.000) 10.401 4.033 ( -4.466 -6.222 -0.000) 7.659 4.400 ( 4.883 -4.964 -0.000) 6.964 4.602 ( 2.520 7.210 0.000) 7.638 5.365 ( 7.866 8.938 -0.000) 11.906 5.734 ( 8.875 2.359 -0.000) 9.183 7.680 ( 1.076 0.131 -0.000) 1.084 8.249 ( -20.199 17.069 0.000) 26.445 9.302 ( 8.925 -3.100 -0.000) 9.448 9.441 ( 8.041 7.727 -0.000) 11.152 10.123 ( -12.729 6.270 0.000) 14.189 12.365 ( -8.235 7.940 0.000) 11.440 12.486 ( -23.014 -3.461 0.000) 23.273 12.889 ( 1.598 8.605 0.000) 8.752 15.152 ( -7.181 -38.494 -0.000) 39.158 16.908 ( 25.073 4.850 -0.000) 25.538 21.592 ( -1.198 25.895 0.000) 25.923 22.149 ( -2.165 14.099 0.000) 14.265 30.094 ( -6.500 -4.344 0.000) 7.818 43.782 ( -4.551 3.164 0.000) 5.543 ======================= Grid point 251 (187/290) ======================= q-point: ( 0.14 0.86 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 8.707 -11.999 -0.000) 14.825 3.617 ( -4.282 -12.413 -0.000) 13.131 3.790 ( -4.409 -6.590 -0.000) 7.929 4.477 ( 8.062 0.108 -0.000) 8.063 4.697 ( -1.950 1.459 0.000) 2.436 5.726 ( 4.811 12.522 0.000) 13.414 6.360 ( 21.877 23.134 -0.000) 31.840 7.789 ( 4.103 5.208 -0.000) 6.630 8.117 ( -19.402 12.949 0.000) 23.326 9.413 ( 6.872 -2.372 -0.000) 7.270 9.923 ( 11.803 4.081 -0.000) 12.488 10.145 ( -3.186 23.742 0.000) 23.955 11.729 ( -25.544 -13.626 0.000) 28.951 12.488 ( -0.718 14.031 0.000) 14.049 13.233 ( 4.635 11.249 0.000) 12.166 14.279 ( -5.317 -36.169 -0.000) 36.557 17.422 ( 13.295 6.719 -0.000) 14.896 22.061 ( -1.131 24.345 0.000) 24.371 22.357 ( -4.322 14.359 0.000) 14.996 29.927 ( -1.744 -4.296 -0.000) 4.636 43.788 ( -2.286 4.640 0.000) 5.173 ======================= Grid point 254 (188/290) ======================= q-point: ( 0.64 -0.14 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 0.000 12.207 -0.000) 12.207 3.550 ( 0.000 12.520 -0.000) 12.520 3.801 ( 0.000 1.594 -0.000) 1.594 4.309 ( 0.000 6.180 -0.000) 6.180 4.931 ( 0.000 -5.236 -0.000) 5.236 5.697 ( 0.000 -11.285 0.000) 11.285 7.037 ( 0.000 -15.849 0.000) 15.849 7.442 ( -0.000 -26.632 -0.000) 26.632 7.780 ( 0.000 -6.065 0.000) 6.065 9.715 ( -0.000 4.653 -0.000) 4.653 9.791 ( 0.000 -6.733 0.000) 6.733 10.385 ( 0.000 -18.670 -0.000) 18.670 11.657 ( 0.000 -8.509 -0.000) 8.509 11.933 ( -0.000 -0.524 0.000) 0.524 13.516 ( 0.000 -15.714 -0.000) 15.714 14.165 ( 0.000 41.386 -0.000) 41.386 17.562 ( 0.000 -6.451 -0.000) 6.451 22.050 ( 0.000 -24.190 -0.000) 24.190 22.301 ( 0.000 -12.129 -0.000) 12.129 29.918 ( 0.000 3.414 -0.000) 3.414 43.764 ( 0.000 -4.903 -0.000) 4.903 ======================= Grid point 256 (189/290) ======================= q-point: ( 0.14 -0.14 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 1.221 -13.628 -0.000) 13.683 3.280 ( -2.663 -14.688 -0.000) 14.927 3.648 ( -0.874 -3.798 -0.000) 3.897 4.599 ( -6.549 -1.620 0.000) 6.747 4.726 ( 12.670 2.654 -0.000) 12.945 5.996 ( -4.199 13.213 0.000) 13.864 7.205 ( 14.425 16.272 -0.000) 21.745 7.968 ( -18.975 12.642 0.000) 22.801 8.071 ( 5.603 15.022 0.000) 16.033 9.490 ( 3.354 -0.665 -0.000) 3.420 9.978 ( -4.249 2.332 0.000) 4.847 10.809 ( 14.060 19.524 0.000) 24.059 10.964 ( -18.741 -17.360 0.000) 25.546 12.798 ( 7.971 2.339 -0.000) 8.307 13.461 ( 0.117 6.920 0.000) 6.921 13.623 ( -6.941 -11.379 -0.000) 13.329 17.715 ( 0.117 9.249 0.000) 9.250 22.488 ( 0.101 20.241 0.000) 20.241 22.555 ( -2.165 13.391 0.000) 13.565 29.831 ( 0.868 -5.408 -0.000) 5.477 43.862 ( 0.085 4.910 0.000) 4.911 ======================= Grid point 257 (190/290) ======================= q-point: ( 0.14 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 1.167 -10.253 -0.000) 10.319 2.923 ( -3.930 -15.295 -0.000) 15.792 3.504 ( -8.074 -3.680 0.000) 8.873 4.403 ( -7.755 -2.216 0.000) 8.066 5.072 ( 14.599 2.888 -0.000) 14.882 6.018 ( -16.130 9.731 0.000) 18.838 7.488 ( 0.812 0.715 -0.000) 1.082 7.835 ( -18.228 13.026 0.000) 22.404 8.539 ( 0.477 20.939 0.000) 20.944 9.509 ( -2.916 1.266 0.000) 3.179 9.876 ( -7.055 -0.736 0.000) 7.093 10.305 ( -9.188 -19.480 -0.000) 21.538 11.369 ( 9.879 12.161 -0.000) 15.668 12.585 ( 2.878 -27.384 -0.000) 27.535 13.516 ( -3.737 2.945 0.000) 4.758 13.759 ( -2.095 22.827 0.000) 22.923 17.808 ( -10.471 12.032 0.000) 15.950 22.809 ( 3.651 11.187 0.000) 11.768 22.834 ( 0.575 13.672 0.000) 13.684 29.720 ( 0.005 -7.444 -0.000) 7.444 43.969 ( 1.740 3.807 0.000) 4.186 ======================= Grid point 258 (191/290) ======================= q-point: ( 0.64 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -3.787 8.637 -0.068) 9.431 3.676 ( -5.182 5.145 1.741) 7.507 3.937 ( 6.603 7.671 1.158) 10.187 4.425 ( -1.314 5.968 -2.101) 6.462 4.843 ( 1.720 -6.674 -3.398) 7.685 5.396 ( -7.128 -10.096 3.968) 12.980 6.480 ( -15.370 -8.520 -19.124) 25.972 7.256 ( 16.628 -20.733 19.742) 33.107 7.695 ( 2.090 -4.058 -2.258) 5.093 9.482 ( -7.452 -11.259 -0.288) 13.505 9.687 ( -3.728 -3.741 6.553) 8.416 10.152 ( 13.748 -14.159 -11.940) 23.066 11.601 ( -3.707 2.781 14.258) 14.993 12.148 ( 18.166 2.583 -4.305) 18.847 13.196 ( -1.802 -14.517 -2.118) 14.781 14.999 ( 3.909 38.850 0.812) 39.055 17.316 ( -13.871 -4.136 0.027) 14.475 21.576 ( 0.535 -24.489 -0.043) 24.495 22.104 ( 0.906 -9.826 0.351) 9.874 30.008 ( 4.016 2.124 -0.624) 4.586 43.706 ( 2.747 -3.756 -0.025) 4.653 ======================= Grid point 259 (192/290) ======================= q-point: ( 0.64 -0.14 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( -6.108 4.804 -2.744) 8.241 3.653 ( -3.667 2.959 4.069) 6.226 4.283 ( 8.343 8.389 1.246) 11.897 4.418 ( -7.520 2.893 0.458) 8.070 4.722 ( -1.433 -7.471 -5.782) 9.555 5.103 ( -4.339 -4.420 3.882) 7.309 6.363 ( 0.579 11.852 -21.153) 24.254 7.182 ( 15.133 -19.673 22.138) 33.258 7.719 ( 4.950 -1.494 -2.146) 5.598 9.301 ( 6.724 -3.318 0.126) 7.499 9.524 ( -4.676 -3.572 0.685) 5.924 10.306 ( 16.502 -4.148 -7.188) 18.472 11.569 ( -3.908 1.588 9.617) 10.501 12.670 ( 20.192 4.241 8.283) 22.233 12.942 ( 5.626 -9.932 -9.407) 14.792 15.791 ( 9.115 26.596 0.496) 28.119 16.837 ( -25.908 -2.312 0.050) 26.011 21.143 ( -0.814 -18.355 -0.015) 18.373 21.936 ( -1.267 -6.881 0.117) 6.998 30.177 ( 8.788 1.575 -0.702) 8.955 43.734 ( 5.144 -1.801 -0.028) 5.450 ======================= Grid point 260 (193/290) ======================= q-point: ( 0.14 -0.14 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -8.968 -12.088 0.000) 15.051 2.801 ( 3.110 -4.213 -0.000) 5.237 3.138 ( -19.253 -4.333 0.000) 19.735 4.211 ( -7.583 -1.392 0.000) 7.710 5.323 ( -4.916 2.141 0.000) 5.362 5.785 ( -9.773 3.887 0.000) 10.518 7.408 ( -5.144 -2.124 0.000) 5.565 7.695 ( -17.751 9.541 0.000) 20.152 8.777 ( -9.907 11.699 0.000) 15.330 9.419 ( -8.222 4.658 0.000) 9.449 9.671 ( -10.228 -1.638 0.000) 10.358 9.851 ( -1.740 -16.782 -0.000) 16.872 11.596 ( -7.925 1.820 0.000) 8.132 12.210 ( 9.083 -14.285 -0.000) 16.928 13.442 ( -6.095 0.448 0.000) 6.111 14.048 ( -6.317 12.111 0.000) 13.659 17.784 ( -13.883 11.841 0.000) 18.247 23.021 ( -0.657 5.264 0.000) 5.305 23.133 ( 10.267 6.816 -0.000) 12.324 29.538 ( -3.144 -7.333 -0.000) 7.979 44.070 ( 2.465 1.919 -0.000) 3.123 ======================= Grid point 261 (194/290) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -15.033 -0.000 0.000) 15.033 2.586 ( -27.631 -0.000 0.000) 27.631 2.855 ( 4.685 0.000 -0.000) 4.685 4.027 ( -8.863 -0.000 0.000) 8.863 4.749 ( -42.582 -0.000 0.000) 42.582 5.980 ( 15.661 0.000 -0.000) 15.661 7.252 ( -6.912 -0.000 0.000) 6.912 7.425 ( -18.771 -0.000 0.000) 18.771 8.616 ( -12.790 -0.000 0.000) 12.790 9.401 ( -13.314 -0.000 0.000) 13.314 9.464 ( -6.743 -0.000 0.000) 6.743 9.491 ( -4.778 -0.000 0.000) 4.778 11.216 ( -20.625 -0.000 0.000) 20.625 12.378 ( 13.194 0.000 -0.000) 13.194 13.307 ( -6.625 -0.000 0.000) 6.625 13.938 ( -14.875 -0.000 0.000) 14.875 17.671 ( -10.499 -0.000 0.000) 10.499 23.028 ( -2.278 -0.000 0.000) 2.278 23.468 ( 14.768 0.000 -0.000) 14.768 29.357 ( -5.422 -0.000 0.000) 5.422 44.143 ( 2.642 0.000 -0.000) 2.642 ======================= Grid point 262 (195/290) ======================= q-point: ( 0.64 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -5.653 -0.000 -0.000) 5.653 3.631 ( -1.987 -0.000 0.000) 1.987 4.147 ( -14.910 -0.000 -0.000) 14.910 4.344 ( -20.702 -0.000 -0.000) 20.702 4.744 ( 16.769 0.000 0.000) 16.769 5.096 ( 5.436 -0.000 -0.000) 5.436 6.641 ( 3.858 -0.000 0.000) 3.858 7.295 ( 19.688 0.000 -0.000) 19.688 7.819 ( 5.792 -0.000 -0.000) 5.792 9.303 ( -10.992 -0.000 -0.000) 10.992 9.629 ( 21.973 -0.000 0.000) 21.973 10.602 ( 13.816 -0.000 -0.000) 13.816 11.493 ( -4.088 -0.000 -0.000) 4.088 12.784 ( 2.710 -0.000 -0.000) 2.710 13.403 ( 31.449 -0.000 0.000) 31.449 16.154 ( -28.624 -0.000 -0.000) 28.624 16.347 ( 8.273 -0.000 -0.000) 8.273 20.906 ( -2.275 -0.000 -0.000) 2.275 21.812 ( -2.974 -0.000 -0.000) 2.974 30.412 ( 11.705 -0.000 -0.000) 11.705 43.838 ( 6.202 -0.000 -0.000) 6.202 ======================= Grid point 271 (196/290) ======================= q-point: (-0.59 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -0.000 -0.722 -2.216) 2.331 2.838 ( 0.000 -11.031 14.543) 18.253 3.032 ( 0.000 -1.003 1.458) 1.769 4.128 ( -0.000 -1.362 -28.655) 28.687 5.184 ( 0.000 2.857 21.592) 21.780 5.706 ( -0.000 -8.828 -11.735) 14.685 6.863 ( 0.000 -9.711 22.821) 24.801 8.117 ( -0.000 -10.857 -3.861) 11.524 8.272 ( 0.000 -4.777 4.801) 6.772 8.342 ( -0.000 -3.357 -21.152) 21.417 9.984 ( -0.000 -15.227 9.460) 17.926 11.404 ( 0.000 16.096 5.550) 17.026 11.975 ( -0.000 -5.895 -0.677) 5.934 13.109 ( -0.000 3.746 -9.713) 10.411 14.100 ( 0.000 3.047 0.063) 3.047 15.091 ( -0.000 -8.000 -2.937) 8.522 16.709 ( -0.000 -40.965 -0.357) 40.967 21.131 ( 0.000 30.256 -0.147) 30.256 21.828 ( 0.000 19.800 0.051) 19.800 31.012 ( -0.000 -7.421 1.968) 7.678 44.143 ( -0.000 -1.102 0.017) 1.102 ======================= Grid point 272 (197/290) ======================= q-point: (-0.59 -0.16 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.214 -14.183 12.097) 18.643 2.741 ( 17.919 -3.130 -3.941) 18.612 3.183 ( 13.729 0.121 3.693) 14.217 4.015 ( -0.976 -8.096 -26.327) 27.562 5.180 ( -3.720 -3.382 10.528) 11.667 5.470 ( -3.791 -7.034 0.011) 7.991 6.545 ( -11.299 -11.180 19.742) 25.345 7.758 ( -2.563 -18.113 -1.865) 18.388 8.183 ( 1.581 -5.784 -2.886) 6.654 8.358 ( 10.641 -6.941 -10.200) 16.293 9.678 ( 0.565 -16.748 13.756) 21.680 11.634 ( -13.851 -6.937 -3.041) 15.787 11.814 ( 4.978 14.970 -0.630) 15.788 13.109 ( -3.767 -1.166 -6.973) 8.011 14.355 ( 15.819 2.662 -0.003) 16.041 14.710 ( -10.445 -17.263 -5.003) 20.788 15.751 ( -1.332 -47.837 -2.370) 47.915 21.782 ( -1.759 34.654 0.123) 34.699 22.375 ( -1.872 35.742 -1.564) 35.825 30.768 ( -4.548 -12.277 3.968) 13.681 44.099 ( -1.289 -1.495 0.058) 1.975 ======================= Grid point 275 (198/290) ======================= q-point: (-0.59 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 5.801 -13.972 10.417) 18.368 3.143 ( 25.589 -4.933 -7.560) 27.134 3.516 ( 17.298 -1.090 4.856) 18.000 3.799 ( -1.035 -11.849 -19.672) 22.989 4.870 ( -2.381 -15.321 -9.432) 18.149 5.371 ( -5.714 3.271 16.849) 18.090 6.043 ( -14.766 -6.218 12.726) 20.461 7.431 ( 3.837 -14.951 3.368) 15.799 8.158 ( 6.897 -4.920 -12.718) 15.282 8.511 ( 17.290 -7.012 0.284) 18.660 9.347 ( 0.261 -17.830 17.477) 24.968 11.135 ( -17.391 -6.152 -4.845) 19.072 12.223 ( 5.239 10.308 -13.047) 17.434 12.945 ( 0.481 -8.809 5.614) 10.457 13.967 ( -16.934 -23.174 -6.694) 29.472 14.502 ( 4.967 -26.879 -0.110) 27.334 15.367 ( 19.469 3.574 -3.682) 20.134 22.333 ( -4.078 27.178 0.444) 27.486 23.036 ( -9.183 40.876 -4.250) 42.110 30.374 ( -6.079 -15.766 4.822) 17.572 44.050 ( -1.388 -0.399 0.239) 1.464 ======================= Grid point 276 (199/290) ======================= q-point: (-0.59 -0.16 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 12.578 -9.201 7.567) 17.324 3.421 ( 13.897 -14.158 -9.289) 21.905 3.497 ( -1.496 -14.287 -10.440) 17.758 3.823 ( 15.329 -2.472 2.637) 15.749 4.698 ( 10.313 -7.250 -11.766) 17.244 5.281 ( -3.993 0.758 16.813) 17.297 6.017 ( 3.845 17.053 7.139) 18.882 7.364 ( 10.216 -6.226 2.864) 12.301 8.276 ( 10.474 -2.137 -15.139) 18.532 8.733 ( 15.184 -10.896 -0.052) 18.689 9.088 ( 8.523 -10.268 21.877) 25.626 10.788 ( -9.262 0.171 -5.732) 10.894 12.233 ( 3.265 -16.091 -14.457) 21.877 12.940 ( 2.059 -7.135 6.963) 10.180 13.161 ( -13.038 -15.269 0.557) 20.086 14.118 ( -1.690 -8.927 -6.872) 11.392 16.127 ( 26.997 16.368 -0.011) 31.571 22.675 ( -4.261 17.273 0.502) 17.798 23.503 ( -18.336 34.732 -6.318) 39.780 29.952 ( -3.442 -16.075 3.552) 16.819 44.031 ( -1.317 1.290 0.506) 1.912 ======================= Grid point 279 (200/290) ======================= q-point: (-0.59 -0.16 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 12.791 -4.154 4.264) 14.108 3.121 ( 0.051 -16.840 -2.889) 17.086 3.339 ( 5.558 -13.998 -5.925) 16.185 4.011 ( 8.012 -2.044 -6.589) 10.573 4.933 ( 10.296 1.460 5.350) 11.695 5.399 ( 13.758 3.120 2.503) 14.327 6.658 ( 15.967 19.892 8.575) 26.910 7.638 ( 14.732 8.166 -6.899) 18.202 8.464 ( 6.618 2.212 -1.056) 7.058 8.698 ( 13.438 -12.971 -3.043) 18.923 9.359 ( 19.149 -0.571 10.610) 21.899 10.716 ( -2.841 1.779 -9.741) 10.301 11.972 ( 10.467 -21.734 -5.370) 24.713 12.218 ( -19.335 -19.762 15.308) 31.602 13.227 ( 4.354 3.092 -9.059) 10.516 14.102 ( -0.212 7.508 -2.598) 7.948 16.989 ( 24.092 15.858 1.576) 28.886 22.870 ( -1.655 10.014 0.256) 10.153 23.625 ( -22.976 22.195 -6.684) 32.637 29.647 ( 1.107 -12.111 1.420) 12.244 44.038 ( -1.475 2.181 0.545) 2.689 ======================= Grid point 280 (201/290) ======================= q-point: (-0.59 -0.16 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.504 -4.680 -0.028) 6.495 2.864 ( -0.655 -8.790 -0.963) 8.867 3.307 ( 12.303 -6.180 3.543) 14.217 4.130 ( 6.541 -0.590 -12.770) 14.360 5.035 ( -1.385 1.203 15.865) 15.970 5.866 ( 19.802 3.566 -9.346) 22.185 7.241 ( 15.702 5.713 15.706) 22.932 8.108 ( 9.954 4.982 -13.986) 17.874 8.748 ( 10.505 11.744 7.229) 17.336 8.880 ( 14.384 1.522 -11.355) 18.388 9.675 ( 12.036 -2.768 0.270) 12.353 10.569 ( -6.421 -9.169 -15.613) 19.211 11.644 ( -8.801 -5.270 34.926) 36.402 11.874 ( 11.826 -12.628 -0.642) 17.312 13.334 ( 0.457 2.961 -20.376) 20.595 14.300 ( 2.182 8.068 3.879) 9.214 17.681 ( 18.047 9.304 1.663) 20.372 23.017 ( 0.908 5.612 0.039) 5.685 23.472 ( -20.340 9.639 -5.245) 23.111 29.525 ( 3.564 -5.809 0.209) 6.819 44.048 ( -1.417 1.707 0.332) 2.244 ======================= Grid point 283 (202/290) ======================= q-point: (-0.59 -0.16 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.180 0.000 0.069) 2.181 2.752 ( -1.856 -0.000 -0.958) 2.089 3.509 ( 9.745 0.000 7.716) 12.429 4.250 ( 4.798 -0.000 -16.878) 17.547 4.995 ( -1.932 0.000 16.030) 16.146 6.225 ( 10.096 -0.000 -11.240) 15.109 7.562 ( 10.185 0.000 19.203) 21.736 8.254 ( 2.497 -0.000 -3.576) 4.361 9.052 ( 9.816 -0.000 -23.563) 25.526 9.329 ( 11.234 0.000 4.867) 12.243 9.665 ( -4.514 -0.000 -11.884) 12.712 10.300 ( -4.974 0.000 1.709) 5.260 11.585 ( 3.765 0.000 36.537) 36.730 11.937 ( 5.992 -0.000 -1.076) 6.088 13.355 ( -1.518 -0.000 -25.369) 25.414 14.430 ( 1.436 0.000 6.990) 7.136 18.069 ( 10.364 0.000 0.854) 10.400 23.099 ( 0.974 0.000 -0.003) 0.974 23.216 ( -12.499 -0.000 -2.692) 12.785 29.539 ( 2.544 0.000 -0.014) 2.544 44.041 ( -0.920 -0.000 0.117) 0.927 ======================= Grid point 298 (203/290) ======================= q-point: (-0.32 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.000 -15.622 -19.404) 24.911 1.854 ( -0.000 -17.197 -15.385) 23.074 3.064 ( -0.000 -6.851 -14.899) 16.399 3.165 ( 0.000 0.519 8.304) 8.320 3.357 ( -0.000 -33.640 -23.602) 41.094 6.046 ( 0.000 3.550 19.872) 20.186 6.278 ( -0.000 -21.036 -4.958) 21.612 6.803 ( 0.000 -4.308 16.598) 17.148 7.779 ( 0.000 -8.625 11.339) 14.246 7.846 ( 0.000 4.379 3.679) 5.720 8.812 ( 0.000 -23.095 19.941) 30.513 11.026 ( -0.000 -10.160 -4.682) 11.187 11.060 ( -0.000 -36.991 -10.529) 38.460 12.776 ( 0.000 1.344 7.301) 7.423 13.218 ( -0.000 -22.362 -5.993) 23.151 14.446 ( 0.000 3.077 -0.022) 3.077 14.805 ( -0.000 35.559 -37.123) 51.406 23.101 ( 0.000 2.467 5.185) 5.742 25.000 ( 0.000 51.318 -22.847) 56.174 30.000 ( 0.000 -23.872 21.132) 31.881 43.980 ( -0.000 -1.892 0.004) 1.892 ======================= Grid point 299 (204/290) ======================= q-point: ( 0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 10.688 0.000) 10.688 2.870 ( 0.000 8.229 0.000) 8.229 3.172 ( -0.000 -3.089 -0.000) 3.089 3.685 ( 0.000 18.362 0.000) 18.362 4.715 ( 0.000 20.404 0.000) 20.404 6.082 ( -0.000 -7.035 -0.000) 7.035 7.219 ( -0.000 -10.186 -0.000) 10.186 7.580 ( 0.000 20.872 0.000) 20.872 8.349 ( 0.000 9.690 0.000) 9.690 8.495 ( 0.000 3.923 0.000) 3.923 10.383 ( 0.000 12.620 0.000) 12.620 10.833 ( -0.000 -11.978 -0.000) 11.978 11.716 ( 0.000 12.988 0.000) 12.988 12.930 ( 0.000 4.681 0.000) 4.681 14.185 ( -0.000 -4.827 -0.000) 4.827 14.477 ( 0.000 22.085 0.000) 22.085 15.604 ( 0.000 61.117 0.000) 61.117 21.815 ( -0.000 -37.487 -0.000) 37.487 22.284 ( -0.000 -27.651 -0.000) 27.651 31.092 ( 0.000 3.617 0.000) 3.617 44.114 ( 0.000 1.931 0.000) 1.931 ======================= Grid point 300 (205/290) ======================= q-point: ( 0.18 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 19.035 6.066 -0.000) 19.978 2.956 ( 1.889 -0.286 -0.000) 1.911 3.209 ( 8.945 -2.597 -0.000) 9.314 4.064 ( -0.337 18.987 0.000) 18.990 4.882 ( -4.438 2.186 0.000) 4.947 5.943 ( -6.273 -1.701 0.000) 6.500 7.021 ( 0.973 -12.039 -0.000) 12.079 7.872 ( -5.143 16.318 0.000) 17.109 8.357 ( -8.677 0.692 0.000) 8.704 8.651 ( 5.737 4.271 -0.000) 7.152 10.525 ( -2.626 -15.809 -0.000) 16.025 10.753 ( 9.287 15.282 0.000) 17.883 11.715 ( -18.860 7.656 0.000) 20.355 13.035 ( 0.092 4.463 0.000) 4.464 14.297 ( 17.860 -3.876 -0.000) 18.276 14.753 ( -10.878 15.929 0.000) 19.289 16.614 ( -5.083 42.704 0.000) 43.006 21.120 ( -0.268 -29.544 -0.000) 29.546 21.835 ( 0.530 -16.954 -0.000) 16.962 31.073 ( -5.928 0.880 0.000) 5.993 44.124 ( -1.879 0.763 0.000) 2.028 ======================= Grid point 301 (206/290) ======================= q-point: (-0.32 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 9.164 -8.173 -24.084) 27.034 1.722 ( 20.487 -12.512 -23.383) 33.512 2.887 ( 15.547 -18.236 -43.349) 49.532 2.986 ( -0.841 -5.170 5.404) 7.526 3.287 ( 9.781 -0.780 5.870) 11.434 5.814 ( -6.807 -7.634 11.808) 15.622 6.327 ( 10.256 10.107 5.824) 15.532 6.804 ( 7.752 -6.596 6.190) 11.913 7.614 ( 0.435 -7.649 4.400) 8.835 8.096 ( 17.754 0.983 10.862) 20.836 8.506 ( 6.516 -11.851 22.275) 26.059 10.529 ( 4.818 -16.814 -9.144) 19.736 10.821 ( -3.598 -9.764 -10.557) 14.823 12.641 ( -3.803 -13.680 -0.104) 14.199 12.970 ( 2.302 0.324 2.431) 3.364 14.212 ( -17.037 4.506 -14.592) 22.880 16.032 ( 27.297 35.394 -2.861) 44.789 23.009 ( -0.877 -7.530 3.186) 8.223 25.647 ( -29.241 37.092 -22.371) 52.262 29.413 ( -3.759 -25.526 9.538) 27.507 44.004 ( 4.097 -0.117 1.881) 4.509 ======================= Grid point 302 (207/290) ======================= q-point: (-0.32 -0.18 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 14.020 -0.000 -19.924) 24.362 2.005 ( 18.668 -0.000 -23.600) 30.091 2.913 ( -1.617 0.000 5.753) 5.976 3.314 ( 37.966 -0.000 -30.547) 48.729 3.499 ( 11.309 0.000 4.574) 12.199 5.704 ( 0.960 0.000 24.035) 24.055 6.737 ( 10.234 0.000 18.623) 21.250 6.921 ( 15.365 -0.000 -11.965) 19.475 7.577 ( 6.291 -0.000 -5.150) 8.130 8.585 ( 10.107 0.000 22.687) 24.837 8.592 ( 25.413 0.000 12.011) 28.108 10.529 ( -10.684 -0.000 -22.139) 24.582 10.611 ( 15.597 -0.000 -8.072) 17.562 12.441 ( -0.716 0.000 9.844) 9.870 13.058 ( 2.887 -0.000 -1.818) 3.411 14.016 ( -5.142 -0.000 -17.564) 18.301 16.843 ( 17.040 0.000 13.602) 21.803 22.934 ( 1.911 0.000 0.035) 1.911 25.202 ( -40.135 -0.000 -25.614) 47.612 29.165 ( 3.683 0.000 -0.510) 3.718 44.087 ( 2.785 0.000 3.585) 4.540 ======================= Grid point 303 (208/290) ======================= q-point: ( 0.18 -0.18 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 5.324 -6.543 -0.000) 8.435 3.238 ( 26.936 2.426 -0.000) 27.045 3.439 ( 15.468 -0.165 -0.000) 15.469 4.371 ( -2.964 15.378 0.000) 15.661 4.700 ( -6.797 -6.745 0.000) 9.575 5.707 ( -11.885 -3.431 0.000) 12.371 6.715 ( -5.310 -16.779 -0.000) 17.599 8.073 ( -3.881 15.081 0.000) 15.573 8.104 ( -8.854 -6.114 0.000) 10.760 8.828 ( 7.036 0.326 -0.000) 7.044 10.136 ( -4.849 -15.810 -0.000) 16.537 11.313 ( -27.104 2.106 0.000) 27.186 11.326 ( 13.987 17.500 -0.000) 22.403 13.022 ( -7.926 1.380 0.000) 8.045 14.609 ( -22.715 4.927 0.000) 23.244 14.754 ( 29.945 -0.449 -0.000) 29.949 16.886 ( -11.585 1.001 0.000) 11.628 20.823 ( 1.506 0.289 -0.000) 1.533 21.693 ( 2.402 -0.497 -0.000) 2.453 30.889 ( -9.782 -2.755 0.000) 10.163 44.066 ( -4.167 -0.075 0.000) 4.167 ======================= Grid point 304 (209/290) ======================= q-point: (-0.82 -0.18 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 10.229 -10.649 -0.000) 14.765 3.794 ( 16.091 1.186 -0.000) 16.135 3.817 ( 25.023 -0.032 -0.000) 25.023 4.401 ( -6.336 -8.834 -0.000) 10.871 4.533 ( -6.098 11.116 0.000) 12.679 5.369 ( -10.601 -4.738 0.000) 11.611 6.142 ( -11.962 -20.493 -0.000) 23.729 7.823 ( -4.605 -7.177 -0.000) 8.527 8.323 ( -1.471 16.028 0.000) 16.095 8.965 ( 9.401 -3.398 -0.000) 9.996 9.703 ( -8.612 -14.178 -0.000) 16.588 10.780 ( -24.302 0.593 0.000) 24.310 11.968 ( 13.831 17.781 -0.000) 22.527 12.798 ( -13.734 0.826 0.000) 13.759 14.049 ( -30.039 -4.697 0.000) 30.404 15.454 ( 34.420 0.780 -0.000) 34.429 16.306 ( -10.779 -29.394 -0.000) 31.308 21.119 ( 0.137 23.887 0.000) 23.888 21.877 ( 1.478 13.462 0.000) 13.543 30.584 ( -10.859 -5.770 0.000) 12.297 43.967 ( -5.312 0.521 0.000) 5.338 ======================= Grid point 308 (210/290) ======================= q-point: (-0.82 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 14.120 -11.942 -0.000) 18.493 4.029 ( 5.940 -4.153 -0.000) 7.248 4.052 ( -4.520 -7.868 -0.000) 9.074 4.233 ( 11.818 -6.059 -0.000) 13.281 4.607 ( -3.893 9.284 0.000) 10.067 5.232 ( 3.239 2.063 -0.000) 3.840 5.659 ( -1.872 -6.984 -0.000) 7.231 7.665 ( 0.359 -3.904 -0.000) 3.921 8.572 ( -8.411 15.337 0.000) 17.492 9.093 ( 10.907 -4.850 -0.000) 11.937 9.338 ( 0.382 -7.342 -0.000) 7.351 10.410 ( -15.606 4.346 0.000) 16.200 12.554 ( 9.617 15.467 0.000) 18.213 12.575 ( -11.540 4.766 0.000) 12.485 13.260 ( -30.024 -9.837 0.000) 31.595 15.299 ( -6.055 -40.549 -0.000) 40.999 16.321 ( 30.290 5.711 -0.000) 30.824 21.625 ( -2.039 28.057 0.000) 28.132 22.202 ( -2.909 19.563 0.000) 19.778 30.252 ( -8.493 -6.950 0.000) 10.974 43.884 ( -5.045 2.219 0.000) 5.511 ======================= Grid point 310 (211/290) ======================= q-point: ( 0.18 0.82 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 13.993 -11.703 -0.000) 18.241 3.719 ( -5.461 -13.129 -0.000) 14.220 3.884 ( -3.834 -9.045 -0.000) 9.824 4.328 ( 6.955 -2.300 -0.000) 7.325 4.717 ( -0.489 4.286 0.000) 4.314 5.542 ( 12.176 9.119 -0.000) 15.212 5.951 ( 16.561 19.500 -0.000) 25.583 7.698 ( 4.703 1.917 -0.000) 5.079 8.486 ( -16.103 7.050 0.000) 17.579 9.228 ( 10.657 -4.198 -0.000) 11.454 9.578 ( 17.932 5.695 -0.000) 18.815 10.309 ( -9.305 12.219 0.000) 15.359 12.304 ( -29.113 -13.506 0.000) 32.093 12.542 ( -4.127 8.380 0.000) 9.341 13.108 ( 7.197 11.802 0.000) 13.823 14.407 ( -6.684 -34.644 -0.000) 35.283 17.030 ( 23.945 7.754 -0.000) 25.169 22.097 ( -2.391 24.805 0.000) 24.920 22.478 ( -7.281 19.125 0.000) 20.464 29.987 ( -3.980 -6.639 -0.000) 7.740 43.852 ( -3.721 3.902 0.000) 5.392 ======================= Grid point 314 (212/290) ======================= q-point: ( 0.18 0.82 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 7.237 -12.977 -0.000) 14.858 3.348 ( -3.773 -14.660 -0.000) 15.138 3.658 ( -0.700 -6.677 -0.000) 6.714 4.490 ( 10.042 1.089 -0.000) 10.101 4.714 ( -4.371 0.435 0.000) 4.392 5.965 ( 7.099 11.755 0.000) 13.732 6.841 ( 19.850 23.769 -0.000) 30.968 7.942 ( 6.985 11.882 0.000) 13.783 8.305 ( -13.540 6.114 0.000) 14.856 9.363 ( 8.536 -2.476 -0.000) 8.888 9.960 ( 8.023 0.606 -0.000) 8.046 10.579 ( 5.931 19.294 0.000) 20.185 11.424 ( -25.121 -17.955 0.000) 30.878 12.662 ( 5.427 -2.098 -0.000) 5.818 13.425 ( 3.472 8.315 0.000) 9.011 13.782 ( -8.289 -8.966 0.000) 12.210 17.581 ( 12.595 9.541 -0.000) 15.800 22.498 ( -1.060 20.018 0.000) 20.046 22.657 ( -7.755 15.801 0.000) 17.601 29.824 ( -0.161 -6.137 -0.000) 6.139 43.880 ( -1.790 4.624 0.000) 4.958 ======================= Grid point 316 (213/290) ======================= q-point: ( 0.18 -0.18 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 2.164 -12.165 -0.000) 12.356 2.999 ( -3.461 -13.508 -0.000) 13.944 3.585 ( -0.170 -2.655 -0.000) 2.660 4.569 ( -7.991 -1.359 0.000) 8.106 4.773 ( 13.745 2.102 -0.000) 13.905 6.229 ( -3.844 10.325 0.000) 11.018 7.408 ( 7.163 5.229 -0.000) 8.869 8.159 ( -12.790 6.615 0.000) 14.399 8.478 ( 5.553 25.770 0.000) 26.361 9.478 ( 5.133 -0.442 -0.000) 5.152 9.990 ( -3.119 -0.383 0.000) 3.143 10.592 ( -18.002 -20.977 0.000) 27.643 11.120 ( 13.063 12.652 -0.000) 18.185 12.510 ( 4.517 -22.085 -0.000) 22.542 13.569 ( -1.161 4.203 0.000) 4.361 13.819 ( -3.866 20.304 0.000) 20.669 17.914 ( 0.468 10.742 0.000) 10.752 22.804 ( -3.334 11.571 0.000) 12.042 22.827 ( 0.071 14.230 0.000) 14.230 29.715 ( 0.561 -6.126 -0.000) 6.152 43.950 ( 0.127 3.946 0.000) 3.948 ======================= Grid point 317 (214/290) ======================= q-point: ( 0.68 -0.18 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 0.000 8.758 0.000) 8.758 3.757 ( 0.000 8.470 -0.000) 8.470 3.842 ( 0.000 2.453 -0.000) 2.453 4.432 ( 0.000 6.165 -0.000) 6.165 4.827 ( 0.000 -5.285 -0.000) 5.285 5.472 ( 0.000 -11.266 -0.000) 11.266 6.764 ( 0.000 -11.887 0.000) 11.887 6.959 ( -0.000 -21.898 -0.000) 21.898 7.675 ( 0.000 -4.806 -0.000) 4.806 9.593 ( -0.000 -14.820 -0.000) 14.820 9.757 ( 0.000 0.239 -0.000) 0.239 9.944 ( -0.000 -20.585 0.000) 20.585 11.677 ( 0.000 7.841 -0.000) 7.841 11.919 ( -0.000 -0.863 0.000) 0.863 13.217 ( 0.000 -14.948 -0.000) 14.948 14.958 ( 0.000 38.246 -0.000) 38.246 17.462 ( 0.000 -3.908 -0.000) 3.908 21.571 ( 0.000 -23.962 -0.000) 23.962 22.095 ( 0.000 -8.747 -0.000) 8.747 29.966 ( 0.000 1.548 -0.000) 1.548 43.676 ( 0.000 -3.929 -0.000) 3.929 ======================= Grid point 319 (215/290) ======================= q-point: ( 0.68 -0.18 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( -3.854 4.516 0.938) 6.011 3.748 ( -5.556 2.399 0.241) 6.057 4.067 ( 10.193 5.109 0.738) 11.425 4.533 ( -2.069 5.006 -1.499) 5.620 4.720 ( -0.242 -5.702 -2.168) 6.105 5.227 ( -5.211 -6.603 2.545) 8.789 6.418 ( -5.974 2.114 -21.147) 22.076 6.871 ( 14.429 -18.062 21.490) 31.564 7.632 ( 3.156 -2.306 -1.252) 4.104 9.231 ( -0.233 -11.510 0.289) 11.516 9.622 ( -3.897 -2.803 3.742) 6.086 9.959 ( 15.527 -5.819 -6.521) 17.818 11.683 ( -7.375 4.075 5.782) 10.219 12.222 ( 19.647 4.901 0.648) 20.260 12.932 ( -1.098 -11.877 -2.615) 12.211 15.641 ( 5.123 24.812 0.279) 25.337 17.258 ( -14.198 -1.948 0.014) 14.331 21.157 ( -0.545 -16.767 -0.015) 16.776 21.958 ( -0.725 -5.088 0.082) 5.140 30.034 ( 4.828 0.762 -0.342) 4.899 43.648 ( 3.002 -2.087 -0.010) 3.656 ======================= Grid point 320 (216/290) ======================= q-point: ( 0.18 -0.18 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -6.223 -9.520 -0.000) 11.374 2.732 ( 3.247 -6.311 -0.000) 7.097 3.449 ( -10.094 -1.900 0.000) 10.271 4.370 ( -8.105 -1.148 0.000) 8.186 5.115 ( 15.137 1.546 -0.000) 15.216 6.167 ( -17.230 5.308 0.000) 18.030 7.480 ( -1.460 -0.872 0.000) 1.701 8.018 ( -13.167 5.601 0.000) 14.309 8.960 ( -6.974 21.472 0.000) 22.576 9.530 ( -1.473 0.915 0.000) 1.734 9.864 ( -8.068 -0.083 0.000) 8.068 9.914 ( -6.119 -20.245 -0.000) 21.150 11.578 ( 9.270 9.822 -0.000) 13.506 12.124 ( -0.433 -19.341 -0.000) 19.346 13.557 ( -4.751 1.307 0.000) 4.927 14.131 ( -2.408 13.726 0.000) 13.935 18.023 ( -8.425 8.964 0.000) 12.302 22.984 ( 3.836 6.402 0.000) 7.463 23.033 ( -0.467 6.781 0.000) 6.797 29.591 ( -1.844 -5.176 -0.000) 5.494 44.028 ( 1.519 2.120 0.000) 2.608 ======================= Grid point 321 (217/290) ======================= q-point: ( 0.18 -0.18 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -10.598 -0.000 0.000) 10.598 2.758 ( 4.618 0.000 -0.000) 4.618 3.095 ( -21.070 -0.000 0.000) 21.070 4.197 ( -7.757 -0.000 0.000) 7.757 5.344 ( -4.411 -0.000 0.000) 4.411 5.823 ( -10.861 -0.000 0.000) 10.861 7.386 ( -5.668 -0.000 0.000) 5.668 7.787 ( -15.900 -0.000 0.000) 15.900 8.906 ( -15.602 -0.000 0.000) 15.602 9.563 ( -1.890 -0.000 0.000) 1.890 9.574 ( -3.559 -0.000 0.000) 3.559 9.659 ( -11.510 -0.000 0.000) 11.510 11.600 ( -16.073 -0.000 0.000) 16.073 12.079 ( 15.665 0.000 -0.000) 15.665 13.446 ( -6.589 -0.000 0.000) 6.589 14.168 ( -7.536 -0.000 0.000) 7.536 17.909 ( -11.765 -0.000 0.000) 11.765 23.070 ( -1.788 -0.000 0.000) 1.788 23.201 ( 10.604 0.000 -0.000) 10.604 29.462 ( -4.566 -0.000 0.000) 4.566 44.090 ( 2.369 0.000 -0.000) 2.369 ======================= Grid point 322 (218/290) ======================= q-point: ( 0.68 -0.18 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( -5.680 -0.000 0.000) 5.680 3.683 ( -3.224 -0.000 -0.000) 3.224 4.373 ( 5.511 -0.000 0.000) 5.511 4.461 ( -1.799 -0.000 -0.000) 1.799 4.629 ( -5.392 0.000 0.000) 5.392 5.057 ( -2.918 -0.000 -0.000) 2.918 6.571 ( 3.030 -0.000 0.000) 3.030 6.896 ( 17.617 0.000 -0.000) 17.617 7.705 ( 5.276 -0.000 -0.000) 5.276 9.264 ( 12.573 -0.000 -0.000) 12.573 9.489 ( -6.949 -0.000 -0.000) 6.949 10.264 ( 18.193 -0.000 0.000) 18.193 11.590 ( -5.427 -0.000 0.000) 5.427 12.767 ( -0.717 -0.000 -0.000) 0.717 12.786 ( 27.453 0.000 0.000) 27.453 16.065 ( 10.400 -0.000 -0.000) 10.400 16.814 ( -26.135 -0.000 -0.000) 26.135 20.950 ( -1.954 -0.000 -0.000) 1.954 21.869 ( -2.385 -0.000 -0.000) 2.385 30.192 ( 9.264 -0.000 -0.000) 9.264 43.716 ( 5.330 -0.000 -0.000) 5.330 ======================= Grid point 332 (219/290) ======================= q-point: (-0.55 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.000 -3.942 -5.189) 6.516 2.595 ( 0.000 -13.261 13.729) 19.088 3.018 ( 0.000 -0.495 3.580) 3.614 4.025 ( -0.000 -8.355 -27.259) 28.511 5.219 ( 0.000 -3.299 11.097) 11.577 5.511 ( -0.000 -7.927 -0.800) 7.967 6.668 ( 0.000 -9.741 23.578) 25.510 7.791 ( -0.000 -20.750 -4.449) 21.221 8.168 ( 0.000 -7.072 6.317) 9.483 8.237 ( -0.000 -6.968 -19.982) 21.162 9.669 ( 0.000 -16.864 12.838) 21.195 11.732 ( 0.000 16.802 1.448) 16.865 11.809 ( -0.000 -10.749 -1.368) 10.836 13.154 ( -0.000 -0.430 -9.020) 9.031 14.180 ( 0.000 4.841 0.089) 4.841 14.822 ( -0.000 -19.086 -5.932) 19.986 15.765 ( -0.000 -50.535 -2.211) 50.583 21.801 ( 0.000 35.250 0.134) 35.250 22.395 ( 0.000 37.443 -1.662) 37.480 30.816 ( -0.000 -12.638 4.309) 13.352 44.112 ( -0.000 -1.948 0.027) 1.948 ======================= Grid point 335 (220/290) ======================= q-point: (-0.55 -0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -1.817 -12.654 9.609) 15.992 2.654 ( 19.323 -5.755 -7.091) 21.372 3.178 ( 14.218 -0.758 5.309) 15.196 3.818 ( -0.663 -11.868 -22.864) 25.769 4.917 ( -1.882 -20.499 -10.468) 23.094 5.464 ( -3.070 3.382 18.523) 19.078 6.355 ( -13.245 -7.584 17.347) 23.106 7.365 ( 2.429 -21.356 0.068) 21.494 8.041 ( 4.237 -8.422 -2.845) 9.847 8.208 ( 11.021 -8.072 -7.622) 15.643 9.331 ( 0.912 -18.944 15.429) 24.449 11.447 ( -11.579 -11.006 -3.496) 16.353 12.102 ( 5.595 12.432 -5.494) 14.698 12.963 ( -1.582 -16.895 0.331) 16.972 14.210 ( -6.638 -20.541 -8.487) 23.195 14.410 ( 2.832 -11.493 1.719) 11.961 15.063 ( 9.949 -14.900 -7.342) 19.362 22.404 ( -2.521 27.803 0.556) 27.922 23.193 ( -5.598 47.050 -4.950) 47.640 30.479 ( -3.758 -17.275 6.432) 18.813 44.066 ( -0.350 -1.816 0.110) 1.853 ======================= Grid point 336 (221/290) ======================= q-point: (-0.55 -0.20 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 4.770 -8.131 6.398) 11.393 3.012 ( 24.339 -8.786 -11.548) 28.336 3.468 ( 15.572 -4.336 7.629) 17.874 3.532 ( 0.329 -14.603 -14.092) 20.297 4.544 ( 4.750 -16.632 -18.440) 25.283 5.416 ( -7.180 0.235 20.618) 21.833 6.043 ( -6.552 6.404 6.928) 11.486 7.157 ( 9.699 -12.042 4.913) 16.224 8.054 ( 10.302 -5.468 -10.466) 15.671 8.368 ( 18.011 -7.381 1.517) 19.524 8.981 ( 3.228 -19.394 18.995) 27.338 11.008 ( -11.367 -6.618 -6.076) 14.489 12.161 ( 3.913 -22.813 -13.243) 26.667 12.777 ( 9.080 -0.550 9.566) 13.201 13.494 ( -14.777 -25.136 -4.854) 29.559 14.152 ( -2.567 -6.819 -6.082) 9.492 15.596 ( 24.376 17.280 -2.487) 29.983 22.764 ( -4.131 16.399 0.815) 16.931 23.875 ( -16.893 43.788 -7.938) 47.600 30.029 ( -3.841 -19.306 5.888) 20.547 44.043 ( 0.167 -0.318 0.484) 0.602 ======================= Grid point 339 (222/290) ======================= q-point: (-0.55 -0.20 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 11.027 -1.026 3.207) 11.530 3.064 ( 6.958 -19.275 -7.615) 21.861 3.241 ( 3.406 -13.820 -7.167) 15.936 3.784 ( 14.996 -1.428 -0.739) 15.082 4.576 ( 19.507 -4.967 -15.145) 25.191 5.285 ( -0.827 -0.153 19.281) 19.299 6.383 ( 10.324 17.077 5.915) 20.813 7.322 ( 15.460 3.230 -2.523) 15.994 8.240 ( 13.905 -1.547 -11.170) 17.903 8.473 ( 9.589 -13.833 5.587) 17.735 8.945 ( 19.711 -4.884 17.613) 26.881 10.787 ( -4.107 -0.346 -9.246) 10.123 11.757 ( 10.157 -27.503 -5.764) 29.880 12.596 ( -16.378 -23.096 6.298) 29.006 13.110 ( 6.451 4.301 -2.189) 8.056 14.104 ( -0.442 4.090 -7.126) 8.228 16.487 ( 24.036 19.739 1.738) 31.151 22.912 ( -2.391 7.230 0.553) 7.635 24.143 ( -26.620 29.560 -9.200) 40.830 29.633 ( 0.165 -15.885 2.701) 16.114 44.055 ( -0.004 1.077 0.854) 1.375 ======================= Grid point 340 (223/290) ======================= q-point: (-0.55 -0.20 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 7.807 0.724 -0.966) 7.900 2.852 ( 2.395 -9.263 -0.569) 9.585 3.071 ( 9.181 -12.586 -1.997) 15.706 3.985 ( 7.901 -0.756 -9.780) 12.595 4.957 ( 12.461 0.901 5.674) 13.721 5.450 ( 16.269 1.954 2.721) 16.611 6.901 ( 16.361 5.902 13.248) 21.864 7.836 ( 15.954 8.109 -16.516) 24.353 8.495 ( 14.797 -5.529 -6.866) 17.224 8.578 ( 13.315 8.394 7.749) 17.544 9.341 ( 19.842 -1.222 8.553) 21.642 10.689 ( -5.147 -4.290 -18.184) 19.379 11.593 ( 14.801 -14.983 -3.075) 21.285 11.891 ( -13.940 -12.160 27.037) 32.760 13.295 ( 3.351 2.988 -13.078) 13.827 14.243 ( 3.076 5.688 -1.414) 6.619 17.272 ( 20.811 11.712 3.115) 24.082 22.997 ( 0.963 3.486 0.112) 3.618 23.973 ( -27.885 12.742 -8.301) 31.762 29.445 ( 3.996 -7.822 0.398) 8.792 44.072 ( -0.723 1.207 0.730) 1.585 ======================= Grid point 343 (224/290) ======================= q-point: (-0.55 -0.20 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 2.520 -0.000 -1.714) 3.048 2.776 ( -0.566 -0.000 -0.267) 0.626 3.244 ( 15.150 0.000 4.996) 15.953 4.125 ( 6.679 -0.000 -13.637) 15.185 5.047 ( -1.505 0.000 16.273) 16.342 5.902 ( 20.311 -0.000 -9.648) 22.485 7.291 ( 15.522 0.000 17.162) 23.141 8.139 ( 8.640 -0.000 -8.573) 12.171 8.786 ( 15.302 -0.000 -21.654) 26.515 9.049 ( 15.419 0.000 11.126) 19.014 9.623 ( 8.924 -0.000 -3.701) 9.661 10.443 ( -8.473 -0.000 -13.636) 16.054 11.600 ( -5.041 0.000 38.489) 38.818 11.745 ( 12.370 -0.000 -2.086) 12.545 13.365 ( 0.651 -0.000 -20.581) 20.592 14.381 ( 3.245 0.000 3.831) 5.021 17.778 ( 17.103 0.000 2.055) 17.226 23.070 ( 1.798 0.000 -0.002) 1.798 23.569 ( -21.539 -0.000 -5.646) 22.267 29.465 ( 4.388 0.000 -0.054) 4.389 44.065 ( -1.207 0.000 0.363) 1.260 ======================= Grid point 360 (225/290) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 6.911 0.000) 6.911 2.936 ( -0.000 -0.695 -0.000) 0.695 3.114 ( -0.000 -2.872 -0.000) 2.872 4.068 ( 0.000 19.855 0.000) 19.855 4.929 ( 0.000 1.945 0.000) 1.945 6.010 ( -0.000 -0.926 -0.000) 0.926 7.008 ( -0.000 -11.002 -0.000) 11.002 7.924 ( 0.000 14.108 0.000) 14.108 8.522 ( -0.000 -1.439 -0.000) 1.439 8.522 ( 0.000 7.255 0.000) 7.255 10.551 ( -0.000 -16.361 -0.000) 16.361 10.652 ( 0.000 15.082 0.000) 15.082 11.928 ( 0.000 8.237 0.000) 8.237 13.026 ( 0.000 5.065 0.000) 5.065 14.104 ( -0.000 -3.202 -0.000) 3.202 14.868 ( 0.000 17.112 0.000) 17.112 16.667 ( 0.000 44.176 0.000) 44.176 21.123 ( -0.000 -30.467 -0.000) 30.467 21.829 ( -0.000 -17.699 -0.000) 17.699 31.136 ( 0.000 0.602 0.000) 0.602 44.144 ( 0.000 1.056 0.000) 1.056 ======================= Grid point 361 (226/290) ======================= q-point: (-0.29 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 -11.788 -26.511) 29.013 1.557 ( -0.000 -12.678 -27.937) 30.679 2.739 ( -0.000 -21.411 -52.603) 56.793 3.000 ( 0.000 -5.353 6.059) 8.085 3.171 ( 0.000 0.107 9.560) 9.561 5.950 ( -0.000 -11.905 -4.964) 12.898 6.167 ( 0.000 9.609 17.001) 19.529 6.710 ( 0.000 -6.615 6.990) 9.624 7.644 ( 0.000 -4.913 12.072) 13.034 7.864 ( 0.000 -4.023 4.992) 6.411 8.441 ( 0.000 -11.623 22.665) 25.472 10.469 ( -0.000 -21.287 -9.466) 23.297 10.871 ( -0.000 -5.548 -5.180) 7.590 12.683 ( -0.000 -12.178 -0.176) 12.179 12.956 ( 0.000 -2.165 2.899) 3.619 14.492 ( 0.000 1.585 -0.065) 1.587 15.638 ( 0.000 43.907 -21.989) 49.105 23.020 ( -0.000 -9.033 4.061) 9.904 25.988 ( 0.000 47.357 -16.982) 50.310 29.469 ( -0.000 -29.228 15.371) 33.023 43.951 ( -0.000 -1.044 -0.013) 1.044 ======================= Grid point 362 (227/290) ======================= q-point: (-0.29 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 10.602 -0.000 -27.769) 29.724 1.588 ( 21.618 -0.000 -27.387) 34.891 2.694 ( 18.884 -0.000 -48.744) 52.274 2.938 ( -0.799 0.000 7.031) 7.076 3.283 ( 9.344 0.000 6.696) 11.496 5.733 ( -4.681 0.000 11.160) 12.102 6.517 ( 11.552 0.000 21.633) 24.524 6.666 ( 8.772 -0.000 -11.425) 14.404 7.524 ( -1.392 0.000 2.246) 2.642 8.081 ( 22.347 0.000 10.631) 24.747 8.417 ( 5.858 0.000 23.842) 24.551 10.354 ( 8.817 -0.000 -9.090) 12.663 10.731 ( -7.801 -0.000 -11.801) 14.147 12.488 ( -3.344 0.000 1.831) 3.812 12.983 ( 2.962 0.000 2.034) 3.593 14.256 ( -16.583 -0.000 -12.950) 21.041 16.447 ( 20.734 0.000 9.418) 22.773 22.902 ( 1.070 0.000 0.047) 1.071 26.067 ( -40.046 -0.000 -16.210) 43.203 29.106 ( 1.949 -0.000 -0.633) 2.049 44.004 ( 4.736 0.000 2.581) 5.394 ======================= Grid point 363 (228/290) ======================= q-point: ( 0.21 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 17.994 3.328 -0.000) 18.299 2.880 ( 2.227 -7.264 -0.000) 7.598 3.170 ( 9.851 -1.254 -0.000) 9.930 4.419 ( -1.629 17.030 0.000) 17.108 4.810 ( -3.691 -8.036 -0.000) 8.843 5.909 ( -7.198 -3.211 0.000) 7.881 6.783 ( -1.597 -12.270 -0.000) 12.373 8.118 ( -0.896 8.742 0.000) 8.787 8.300 ( -9.399 -6.545 0.000) 11.453 8.698 ( 5.735 0.283 -0.000) 5.742 10.197 ( -1.560 -17.428 -0.000) 17.497 11.076 ( 9.395 17.646 0.000) 19.991 11.811 ( -19.144 2.088 0.000) 19.257 13.118 ( -1.693 3.834 0.000) 4.191 14.254 ( 17.370 -0.344 -0.000) 17.373 14.979 ( -12.527 6.490 0.000) 14.108 17.077 ( -6.583 0.841 0.000) 6.637 20.799 ( 0.766 0.413 -0.000) 0.871 21.654 ( 1.338 -0.650 -0.000) 1.487 31.050 ( -5.525 -3.324 0.000) 6.448 44.132 ( -2.153 -0.049 0.000) 2.154 ======================= Grid point 364 (229/290) ======================= q-point: (-0.79 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 6.529 -12.413 -0.000) 14.026 3.270 ( 26.283 0.800 -0.000) 26.295 3.454 ( 16.194 1.296 -0.000) 16.246 4.526 ( -5.305 -10.503 -0.000) 11.767 4.647 ( -4.676 12.811 0.000) 13.638 5.597 ( -10.662 -8.200 0.000) 13.451 6.384 ( -10.418 -16.707 -0.000) 19.689 7.942 ( -7.022 -10.506 -0.000) 12.637 8.291 ( 3.534 7.176 0.000) 7.999 8.789 ( 7.471 -4.194 -0.000) 8.567 9.819 ( -3.068 -16.573 -0.000) 16.854 11.325 ( -26.497 -0.893 0.000) 26.512 11.678 ( 13.621 18.327 -0.000) 22.835 13.042 ( -9.386 0.569 0.000) 9.403 14.610 ( -23.380 -5.059 0.000) 23.921 14.779 ( 29.540 2.576 -0.000) 29.653 16.516 ( -8.936 -34.916 -0.000) 36.041 21.121 ( -0.303 26.991 0.000) 26.993 21.851 ( 1.084 16.755 0.000) 16.790 30.792 ( -8.893 -7.238 0.000) 11.466 44.063 ( -3.820 -0.249 0.000) 3.828 ======================= Grid point 368 (230/290) ======================= q-point: (-0.79 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 12.231 -13.993 -0.000) 18.585 3.806 ( 14.469 -0.612 -0.000) 14.482 3.807 ( 23.756 -0.913 -0.000) 23.773 4.202 ( -5.124 -11.692 -0.000) 12.765 4.734 ( -7.179 9.388 0.000) 11.818 5.254 ( -4.751 -6.819 -0.000) 8.311 5.804 ( -11.511 -12.848 0.000) 17.251 7.666 ( -0.558 -8.809 -0.000) 8.826 8.561 ( 7.401 8.544 -0.000) 11.304 8.868 ( 10.449 -6.228 -0.000) 12.164 9.413 ( -5.215 -15.487 -0.000) 16.342 10.798 ( -22.012 1.111 0.000) 22.040 12.308 ( 13.159 16.911 -0.000) 21.428 12.818 ( -11.461 0.514 0.000) 11.473 13.883 ( -28.814 -12.339 0.000) 31.345 15.287 ( 13.144 -28.410 -0.000) 31.303 15.797 ( 13.693 -8.600 -0.000) 16.169 21.675 ( -2.714 30.536 0.000) 30.657 22.268 ( -3.365 26.038 0.000) 26.254 30.434 ( -8.841 -9.696 0.000) 13.122 43.982 ( -4.288 0.963 0.000) 4.395 ======================= Grid point 370 (231/290) ======================= q-point: ( 0.21 0.79 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 15.694 -12.440 -0.000) 20.026 3.834 ( -5.450 -14.371 -0.000) 15.370 3.905 ( 2.924 -8.848 -0.000) 9.319 4.146 ( 12.165 -2.824 -0.000) 12.488 4.751 ( -3.787 4.994 0.000) 6.268 5.277 ( 11.700 2.574 -0.000) 11.980 5.710 ( 6.302 12.702 0.000) 14.180 7.595 ( 5.221 -3.043 -0.000) 6.043 8.755 ( -8.108 2.386 0.000) 8.452 8.987 ( 12.334 -5.725 -0.000) 13.598 9.222 ( 15.096 -3.598 -0.000) 15.519 10.523 ( -11.984 7.010 0.000) 13.884 12.644 ( -5.525 0.191 0.000) 5.528 12.785 ( -4.059 3.506 0.000) 5.364 13.059 ( -15.223 -6.363 0.000) 16.499 14.535 ( -5.101 -34.038 -0.000) 34.418 16.469 ( 29.326 9.440 -0.000) 30.808 22.159 ( -3.561 25.479 0.000) 25.727 22.654 ( -9.604 26.069 0.000) 27.781 30.086 ( -5.470 -9.947 -0.000) 11.352 43.933 ( -3.839 2.713 0.000) 4.701 ======================= Grid point 374 (232/290) ======================= q-point: ( 0.21 0.79 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 13.248 -10.603 -0.000) 16.969 3.431 ( -4.081 -15.964 -0.000) 16.478 3.683 ( -1.299 -11.361 -0.000) 11.435 4.305 ( 8.351 -0.351 -0.000) 8.359 4.776 ( -1.842 2.126 0.000) 2.813 5.715 ( 16.466 8.463 -0.000) 18.513 6.431 ( 18.690 27.036 0.000) 32.867 7.777 ( 9.045 7.371 -0.000) 11.669 8.532 ( -8.600 -1.850 0.000) 8.797 9.148 ( 11.991 -3.757 -0.000) 12.566 9.655 ( 19.564 2.334 -0.000) 19.703 10.567 ( -3.149 13.338 0.000) 13.704 11.976 ( -27.716 -20.054 0.000) 34.211 12.563 ( 4.350 -9.454 -0.000) 10.406 13.318 ( 6.779 9.477 0.000) 11.652 13.957 ( -8.361 -7.967 0.000) 11.549 17.213 ( 22.394 10.880 -0.000) 24.897 22.533 ( -2.250 19.348 0.000) 19.479 22.873 ( -13.012 20.607 0.000) 24.372 29.837 ( -1.099 -8.538 -0.000) 8.608 43.929 ( -2.771 3.850 0.000) 4.743 ======================= Grid point 376 (233/290) ======================= q-point: ( 0.21 0.79 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 4.886 -11.367 -0.000) 12.373 3.066 ( -3.016 -13.548 -0.000) 13.879 3.538 ( 3.883 -5.413 -0.000) 6.662 4.514 ( 11.193 1.230 -0.000) 11.261 4.717 ( -5.998 -0.023 0.000) 5.998 6.173 ( 9.123 9.244 -0.000) 12.988 7.193 ( 13.318 11.264 -0.000) 17.443 8.311 ( 10.395 26.144 0.000) 28.134 8.359 ( -6.598 -0.209 0.000) 6.602 9.322 ( 9.636 -1.604 -0.000) 9.768 9.957 ( 7.398 -0.627 -0.000) 7.424 10.888 ( 8.083 12.421 0.000) 14.820 11.022 ( -23.152 -23.111 0.000) 32.713 12.393 ( 6.862 -19.258 -0.000) 20.444 13.558 ( 2.327 5.306 0.000) 5.794 13.917 ( -5.462 15.750 0.000) 16.671 17.786 ( 11.798 10.925 -0.000) 16.079 22.830 ( -0.354 13.771 0.000) 13.776 22.951 ( -10.906 13.617 0.000) 17.446 29.696 ( 1.242 -6.584 -0.000) 6.700 43.963 ( -1.313 3.697 0.000) 3.923 ======================= Grid point 379 (234/290) ======================= q-point: ( 0.71 -0.21 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 0.000 4.646 0.000) 4.646 3.878 ( -0.000 3.978 -0.000) 3.978 3.888 ( 0.000 1.964 -0.000) 1.964 4.540 ( 0.000 4.621 -0.000) 4.621 4.732 ( 0.000 -4.267 0.000) 4.267 5.282 ( 0.000 -7.469 -0.000) 7.469 6.583 ( 0.000 -6.399 0.000) 6.399 6.619 ( -0.000 -12.269 -0.000) 12.269 7.598 ( 0.000 -2.899 -0.000) 2.899 9.254 ( 0.000 -15.591 -0.000) 15.591 9.690 ( 0.000 -7.052 -0.000) 7.052 9.746 ( -0.000 -0.934 0.000) 0.934 11.873 ( 0.000 10.282 -0.000) 10.282 11.903 ( -0.000 -0.667 0.000) 0.667 12.946 ( 0.000 -11.983 -0.000) 11.983 15.587 ( 0.000 24.224 -0.000) 24.224 17.406 ( 0.000 -1.836 -0.000) 1.836 21.163 ( 0.000 -16.223 -0.000) 16.223 21.965 ( 0.000 -4.461 -0.000) 4.461 29.984 ( 0.000 0.462 -0.000) 0.462 43.616 ( 0.000 -2.180 -0.000) 2.180 ======================= Grid point 381 (235/290) ======================= q-point: ( 0.21 -0.21 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 2.747 -7.330 -0.000) 7.827 2.779 ( -4.142 -8.299 -0.000) 9.275 3.546 ( 0.445 -1.344 -0.000) 1.415 4.548 ( -8.774 -0.809 0.000) 8.811 4.805 ( 14.315 1.151 -0.000) 14.361 6.388 ( -3.671 5.683 0.000) 6.765 7.457 ( 3.927 0.770 -0.000) 4.002 8.231 ( -7.385 1.335 0.000) 7.504 9.025 ( 1.528 29.048 0.000) 29.088 9.473 ( 6.188 -0.110 -0.000) 6.189 9.984 ( -2.811 -0.077 0.000) 2.812 10.143 ( -15.757 -24.828 -0.000) 29.406 11.316 ( 13.822 7.557 -0.000) 15.753 12.138 ( 0.646 -14.551 -0.000) 14.566 13.628 ( -1.990 1.944 0.000) 2.782 14.169 ( -1.564 13.317 0.000) 13.408 18.105 ( 0.973 7.818 0.000) 7.878 22.986 ( -4.262 6.716 0.000) 7.955 23.038 ( 0.020 7.287 0.000) 7.287 29.609 ( 0.169 -4.236 -0.000) 4.239 44.011 ( 0.163 2.194 0.000) 2.200 ======================= Grid point 382 (236/290) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -7.177 -0.000 0.000) 7.177 2.668 ( 3.977 0.000 -0.000) 3.977 3.430 ( -10.825 -0.000 0.000) 10.825 4.359 ( -8.193 -0.000 0.000) 8.193 5.131 ( 15.340 0.000 -0.000) 15.340 6.220 ( -17.638 -0.000 0.000) 17.638 7.470 ( -2.101 -0.000 0.000) 2.101 8.068 ( -11.062 -0.000 0.000) 11.062 9.267 ( -19.390 -0.000 0.000) 19.390 9.562 ( 2.107 0.000 -0.000) 2.107 9.598 ( 1.476 0.000 -0.000) 1.476 9.867 ( -8.275 -0.000 0.000) 8.275 11.739 ( 16.899 0.000 -0.000) 16.899 11.866 ( -9.479 -0.000 0.000) 9.479 13.569 ( -5.082 -0.000 0.000) 5.082 14.268 ( -2.726 -0.000 0.000) 2.726 18.117 ( -7.439 -0.000 0.000) 7.439 23.048 ( 3.861 0.000 -0.000) 3.861 23.099 ( -0.979 -0.000 0.000) 0.979 29.538 ( -2.613 -0.000 0.000) 2.613 44.049 ( 1.442 0.000 -0.000) 1.442 ======================= Grid point 383 (237/290) ======================= q-point: ( 0.71 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( -3.967 -0.000 0.000) 3.967 3.771 ( -5.422 -0.000 -0.000) 5.422 4.120 ( 11.758 -0.000 -0.000) 11.758 4.616 ( -5.967 -0.000 0.000) 5.967 4.628 ( 2.492 0.000 0.000) 2.492 5.159 ( -4.480 -0.000 -0.000) 4.480 6.518 ( 1.950 -0.000 0.000) 1.950 6.613 ( 9.178 0.000 -0.000) 9.178 7.609 ( 3.655 -0.000 -0.000) 3.655 9.110 ( 3.002 -0.000 -0.000) 3.002 9.592 ( -3.147 -0.000 -0.000) 3.147 9.905 ( 14.779 -0.000 0.000) 14.779 11.726 ( -7.942 -0.000 0.000) 7.942 12.292 ( 20.064 -0.000 -0.000) 20.064 12.794 ( -1.400 -0.000 -0.000) 1.400 15.895 ( 5.755 -0.000 -0.000) 5.755 17.239 ( -14.307 -0.000 -0.000) 14.307 20.983 ( -1.132 -0.000 -0.000) 1.132 21.908 ( -1.325 -0.000 -0.000) 1.325 30.041 ( 5.105 -0.000 -0.000) 5.105 43.627 ( 3.092 -0.000 -0.000) 3.092 ======================= Grid point 396 (238/290) ======================= q-point: (-0.52 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.000 -11.578 10.175) 15.414 2.428 ( -0.000 -6.834 -8.694) 11.059 3.009 ( 0.000 -0.538 5.881) 5.906 3.825 ( -0.000 -11.937 -23.906) 26.721 4.938 ( -0.000 -22.137 -10.755) 24.611 5.496 ( 0.000 3.123 18.983) 19.239 6.507 ( 0.000 -6.142 22.190) 23.024 7.337 ( -0.000 -25.155 -4.169) 25.498 7.994 ( 0.000 -10.388 6.955) 12.502 8.089 ( -0.000 -7.707 -17.016) 18.680 9.320 ( 0.000 -19.153 14.613) 24.091 11.574 ( -0.000 -12.847 -1.998) 13.002 12.034 ( 0.000 13.027 -3.448) 13.476 12.984 ( -0.000 -20.590 -0.918) 20.610 14.279 ( 0.000 5.114 0.068) 5.114 14.377 ( -0.000 -25.210 -7.939) 26.430 14.960 ( -0.000 -25.877 -8.118) 27.120 22.431 ( 0.000 28.044 0.598) 28.051 23.253 ( 0.000 49.418 -5.200) 49.691 30.519 ( -0.000 -17.717 7.145) 19.104 44.069 ( -0.000 -2.394 0.027) 2.394 ======================= Grid point 397 (239/290) ======================= q-point: (-0.52 -0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -3.273 -6.656 3.179) 8.069 2.519 ( 20.490 -8.043 -11.086) 24.646 3.150 ( 13.212 -2.188 7.509) 15.354 3.546 ( -0.579 -16.311 -15.566) 22.554 4.482 ( 1.694 -22.324 -21.234) 30.856 5.524 ( -3.054 2.093 22.299) 22.605 6.265 ( -13.136 -1.655 9.855) 16.505 6.964 ( 8.987 -18.304 3.222) 20.644 7.866 ( 7.526 -9.273 0.697) 11.963 8.060 ( 10.543 -6.585 -5.710) 13.679 8.931 ( 1.710 -22.149 16.545) 27.699 11.225 ( -8.690 -11.389 -4.200) 14.929 12.070 ( 4.516 -27.271 -12.531) 30.350 12.616 ( 5.853 -3.015 11.326) 13.101 13.747 ( -9.566 -26.635 -6.766) 29.098 14.251 ( -7.017 -1.247 -3.759) 8.058 15.125 ( 20.565 15.224 -8.408) 26.933 22.836 ( -2.622 15.915 1.118) 16.168 24.167 ( -10.524 51.437 -8.903) 53.252 30.100 ( -2.784 -21.204 8.551) 23.032 44.031 ( 0.720 -1.748 0.211) 1.903 ======================= Grid point 400 (240/290) ======================= q-point: (-0.52 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 3.368 0.918 -1.004) 3.632 2.794 ( 19.083 -13.302 -15.534) 27.971 3.199 ( 1.150 -16.542 -3.746) 16.999 3.409 ( 18.806 -3.556 7.511) 20.561 4.259 ( 10.864 -12.002 -27.797) 32.168 5.376 ( -7.164 -3.726 22.434) 23.843 6.236 ( 3.751 10.455 3.560) 11.664 7.014 ( 14.105 -1.079 2.217) 14.319 7.948 ( 13.718 -5.601 -8.117) 16.895 8.229 ( 14.299 -6.703 4.886) 16.531 8.618 ( 10.714 -16.512 19.845) 27.951 10.884 ( -5.179 -5.950 -7.542) 10.914 11.555 ( 9.446 -31.839 -5.757) 33.706 12.813 ( -0.498 -6.649 0.583) 6.693 13.042 ( -4.370 -13.159 1.116) 13.911 14.150 ( -4.648 3.732 -8.081) 10.041 16.002 ( 22.906 23.441 -0.540) 32.779 22.966 ( -2.660 4.519 1.043) 5.346 24.693 ( -25.639 38.588 -10.824) 47.577 29.642 ( -1.075 -19.469 5.065) 20.146 44.038 ( 1.539 -0.146 0.879) 1.778 ======================= Grid point 401 (241/290) ======================= q-point: (-0.52 -0.23 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 8.159 5.829 -4.164) 10.857 2.740 ( 7.920 -12.201 -6.832) 16.071 2.958 ( 2.701 -14.204 -1.452) 14.531 3.766 ( 14.779 -0.450 -3.614) 15.221 4.507 ( 25.533 -2.197 -16.922) 30.710 5.280 ( 2.615 -0.330 20.460) 20.629 6.594 ( 13.021 4.850 11.607) 18.105 7.475 ( 18.192 9.135 -14.698) 25.109 8.156 ( 16.786 -7.151 -14.483) 23.296 8.337 ( 10.587 1.637 17.964) 20.915 8.878 ( 24.264 -2.226 14.486) 28.347 10.776 ( -2.963 -0.597 -14.684) 14.992 11.285 ( 14.140 -19.063 -4.746) 24.205 12.187 ( -14.084 -16.508 14.967) 26.360 13.195 ( 6.258 3.504 -5.360) 8.954 14.193 ( 1.095 3.827 -6.510) 7.630 16.846 ( 20.099 15.133 4.347) 25.532 22.980 ( 0.662 0.633 0.280) 0.958 24.611 ( -33.340 17.310 -10.995) 39.142 29.367 ( 3.380 -10.340 0.837) 10.911 44.072 ( 0.844 0.628 1.203) 1.598 ======================= Grid point 404 (242/290) ======================= q-point: (-0.52 -0.23 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 3.978 -0.000 -5.840) 7.066 2.779 ( 0.164 0.000 2.311) 2.317 2.917 ( 15.582 0.000 0.117) 15.583 3.978 ( 7.866 -0.000 -10.868) 13.416 4.966 ( 13.065 0.000 5.893) 14.333 5.470 ( 17.245 0.000 2.673) 17.451 6.950 ( 16.651 0.000 15.004) 22.413 7.901 ( 14.200 -0.000 -14.041) 19.969 8.442 ( 17.556 -0.000 -20.540) 27.021 8.713 ( 16.577 0.000 17.885) 24.386 9.323 ( 19.283 0.000 6.889) 20.477 10.621 ( -8.266 -0.000 -21.565) 23.095 11.440 ( 16.622 -0.000 -3.022) 16.895 11.772 ( -10.863 0.000 32.062) 33.853 13.326 ( 3.187 -0.000 -13.693) 14.059 14.301 ( 4.196 -0.000 -1.176) 4.358 17.395 ( 19.277 0.000 3.903) 19.668 23.027 ( 2.303 0.000 0.004) 2.303 24.100 ( -29.722 -0.000 -8.879) 31.020 29.365 ( 5.129 0.000 -0.135) 5.131 44.084 ( -0.461 0.000 0.808) 0.930 ======================= Grid point 423 (243/290) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 -0.000 -30.446) 30.446 1.415 ( -0.000 -0.000 -31.842) 31.842 2.519 ( -0.000 -0.000 -60.669) 60.669 2.947 ( 0.000 0.000 7.500) 7.500 3.171 ( 0.000 0.000 10.062) 10.062 5.831 ( -0.000 -0.000 -4.967) 4.967 6.344 ( 0.000 0.000 28.846) 28.846 6.573 ( -0.000 -0.000 -11.136) 11.136 7.595 ( 0.000 0.000 12.328) 12.328 7.782 ( 0.000 0.000 2.600) 2.600 8.354 ( 0.000 0.000 24.180) 24.180 10.261 ( -0.000 -0.000 -9.448) 9.448 10.816 ( -0.000 -0.000 -5.357) 5.357 12.532 ( 0.000 0.000 0.180) 0.180 12.955 ( 0.000 0.000 3.374) 3.374 14.508 ( -0.000 -0.000 -0.081) 0.081 16.157 ( -0.000 -0.000 -2.222) 2.222 22.891 ( 0.000 0.000 0.051) 0.051 26.561 ( 0.000 0.000 0.262) 0.262 29.086 ( -0.000 -0.000 -0.679) 0.679 43.941 ( -0.000 -0.000 -0.020) 0.020 ======================= Grid point 424 (244/290) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 3.713 0.000) 3.713 2.861 ( -0.000 -6.694 -0.000) 6.694 3.061 ( -0.000 -2.505 -0.000) 2.505 4.436 ( 0.000 17.567 0.000) 17.567 4.849 ( -0.000 -8.490 -0.000) 8.490 5.986 ( -0.000 -3.054 -0.000) 3.054 6.796 ( -0.000 -10.589 -0.000) 10.589 8.125 ( 0.000 6.380 0.000) 6.380 8.430 ( -0.000 -8.095 -0.000) 8.095 8.613 ( 0.000 1.830 0.000) 1.830 10.212 ( -0.000 -17.968 -0.000) 17.968 10.973 ( 0.000 17.710 0.000) 17.710 12.024 ( 0.000 1.406 0.000) 1.406 13.126 ( 0.000 5.101 0.000) 5.101 14.070 ( -0.000 -0.149 -0.000) 0.149 15.111 ( 0.000 7.005 0.000) 7.005 17.147 ( 0.000 0.767 0.000) 0.767 20.791 ( 0.000 0.464 0.000) 0.464 21.640 ( -0.000 -0.705 -0.000) 0.705 31.108 ( -0.000 -3.552 -0.000) 3.552 44.154 ( -0.000 -0.033 -0.000) 0.033 ======================= Grid point 425 (245/290) ======================= q-point: (-0.75 -0.25 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 1.364 -12.002 -0.000) 12.079 2.798 ( 17.688 0.884 -0.000) 17.710 3.154 ( 11.882 -0.585 -0.000) 11.896 4.612 ( -2.903 -11.609 -0.000) 11.966 4.721 ( -2.449 13.820 0.000) 14.035 5.782 ( -6.673 -10.169 -0.000) 12.163 6.545 ( -4.991 -11.965 -0.000) 12.964 8.104 ( -7.852 -13.420 -0.000) 15.549 8.213 ( 3.292 1.112 -0.000) 3.475 8.657 ( 5.233 -4.390 -0.000) 6.831 9.853 ( -0.680 -17.701 -0.000) 17.714 11.434 ( 9.109 18.874 0.000) 20.957 11.795 ( -17.296 -3.702 0.000) 17.688 13.179 ( -3.987 2.228 0.000) 4.567 14.284 ( 17.294 3.144 -0.000) 17.578 14.988 ( -12.727 -5.727 0.000) 13.956 16.661 ( -4.881 -38.904 -0.000) 39.209 21.129 ( -0.351 29.337 0.000) 29.339 21.834 ( 0.551 19.223 0.000) 19.231 30.939 ( -5.017 -8.213 -0.000) 9.624 44.122 ( -1.941 -0.869 0.000) 2.127 ======================= Grid point 429 (246/290) ======================= q-point: (-0.75 -0.25 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 6.716 -14.713 -0.000) 16.174 3.270 ( 26.340 -0.707 -0.000) 26.350 3.472 ( 17.032 0.170 -0.000) 17.033 4.301 ( -4.213 -12.487 -0.000) 13.179 4.869 ( -5.488 9.904 0.000) 11.323 5.386 ( -7.065 -13.060 -0.000) 14.849 6.085 ( -14.057 -13.159 0.000) 19.256 7.698 ( -2.838 -14.230 -0.000) 14.511 8.360 ( 10.529 0.260 -0.000) 10.532 8.674 ( 8.206 -7.346 -0.000) 11.014 9.489 ( -1.892 -17.403 -0.000) 17.506 11.279 ( -22.901 -3.717 0.000) 23.201 12.033 ( 12.924 17.825 0.000) 22.017 13.032 ( -8.995 -2.473 0.000) 9.329 14.413 ( -21.816 -14.842 0.000) 26.386 14.807 ( 25.982 -2.831 -0.000) 26.135 15.740 ( -1.862 -37.181 -0.000) 37.227 21.733 ( -2.729 32.833 0.000) 32.946 22.336 ( -3.152 32.387 0.000) 32.540 30.604 ( -7.378 -12.018 -0.000) 14.102 44.056 ( -2.834 -0.404 0.000) 2.862 ======================= Grid point 431 (247/290) ======================= q-point: (-0.75 -0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 13.182 -13.205 -0.000) 18.659 3.747 ( 11.932 -5.898 -0.000) 13.310 3.778 ( 22.798 -2.761 -0.000) 22.965 3.944 ( -4.539 -14.082 -0.000) 14.795 4.881 ( -7.809 4.769 0.000) 9.150 5.118 ( 3.387 -6.761 -0.000) 7.562 5.700 ( -5.361 3.618 0.000) 6.468 7.487 ( 5.062 -9.187 -0.000) 10.489 8.669 ( 15.270 2.897 -0.000) 15.542 8.734 ( 11.714 -7.161 -0.000) 13.729 9.095 ( -1.802 -17.231 -0.000) 17.325 10.821 ( -16.768 1.261 0.000) 16.815 12.619 ( 11.878 14.633 -0.000) 18.847 12.761 ( -5.607 -8.767 -0.000) 10.407 13.571 ( -25.746 -19.455 0.000) 32.270 14.588 ( 0.656 -32.918 -0.000) 32.924 15.872 ( 26.957 10.101 -0.000) 28.787 22.241 ( -4.276 26.254 0.000) 26.600 22.866 ( -10.669 34.387 0.000) 36.004 30.206 ( -5.963 -13.506 -0.000) 14.764 44.003 ( -2.838 1.172 0.000) 3.070 ======================= Grid point 435 (248/290) ======================= q-point: ( 0.25 0.75 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 15.650 -9.016 -0.000) 18.061 3.510 ( -3.437 -18.176 -0.000) 18.498 3.684 ( 2.048 -13.572 -0.000) 13.725 4.114 ( 11.204 -0.651 -0.000) 11.223 4.813 ( -2.594 1.978 0.000) 3.262 5.331 ( 19.073 2.921 -0.000) 19.295 6.106 ( 12.145 25.281 0.000) 28.047 7.570 ( 10.926 1.551 -0.000) 11.036 8.667 ( -4.563 -9.874 -0.000) 10.877 8.880 ( 13.662 -5.032 -0.000) 14.559 9.205 ( 23.401 0.787 -0.000) 23.414 10.672 ( -6.833 7.997 0.000) 10.519 12.478 ( 3.954 -18.304 -0.000) 18.727 12.541 ( -25.936 -21.807 0.000) 33.885 13.155 ( 8.410 9.521 -0.000) 12.703 14.108 ( -5.820 -8.206 -0.000) 10.060 16.690 ( 27.220 13.193 -0.000) 30.249 22.591 ( -3.383 18.337 0.000) 18.647 23.187 ( -17.190 27.637 0.000) 32.547 29.869 ( -1.918 -12.065 -0.000) 12.217 43.986 ( -2.506 2.646 0.000) 3.644 ======================= Grid point 437 (249/290) ======================= q-point: ( 0.25 0.75 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 9.857 -7.245 -0.000) 12.233 3.121 ( -2.182 -15.045 -0.000) 15.203 3.456 ( 3.617 -11.382 -0.000) 11.943 4.307 ( 9.128 0.456 -0.000) 9.139 4.809 ( -2.817 1.270 0.000) 3.090 5.866 ( 19.993 6.797 -0.000) 21.116 6.881 ( 16.078 16.388 -0.000) 22.958 8.055 ( 14.304 22.309 0.000) 26.501 8.440 ( -1.476 -6.766 -0.000) 6.925 9.087 ( 13.011 -2.497 -0.000) 13.248 9.678 ( 18.821 0.273 -0.000) 18.823 10.803 ( 0.781 10.335 0.000) 10.364 11.528 ( -25.347 -25.377 0.000) 35.867 12.228 ( 9.081 -20.364 -0.000) 22.297 13.473 ( 5.782 6.373 -0.000) 8.605 14.033 ( -5.355 10.698 0.000) 11.964 17.445 ( 20.481 12.400 -0.000) 23.942 22.843 ( -0.883 12.333 0.000) 12.365 23.252 ( -18.192 17.486 0.000) 25.233 29.666 ( 1.641 -8.576 -0.000) 8.732 43.998 ( -1.889 3.048 0.000) 3.586 ======================= Grid point 441 (250/290) ======================= q-point: ( 0.25 0.75 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 2.723 -6.796 -0.000) 7.321 2.846 ( -2.301 -8.343 -0.000) 8.654 3.454 ( 7.673 -3.017 -0.000) 8.245 4.535 ( 11.768 0.773 -0.000) 11.793 4.715 ( -7.063 -0.125 0.000) 7.064 6.316 ( 10.424 5.149 -0.000) 11.626 7.315 ( 9.699 2.731 -0.000) 10.076 8.323 ( -1.627 -2.517 -0.000) 2.997 8.890 ( 11.177 30.028 0.000) 32.041 9.301 ( 10.294 -0.678 -0.000) 10.317 9.945 ( 7.285 -0.450 -0.000) 7.299 10.540 ( -21.974 -25.062 0.000) 33.331 11.070 ( 8.944 6.347 -0.000) 10.967 12.070 ( 6.020 -12.170 -0.000) 13.577 13.634 ( 1.505 2.549 0.000) 2.961 14.203 ( -1.728 11.236 0.000) 11.368 17.978 ( 11.108 7.868 -0.000) 13.612 23.032 ( 0.550 6.900 0.000) 6.922 23.165 ( -13.111 7.891 0.000) 15.302 29.584 ( 2.197 -4.424 -0.000) 4.939 44.020 ( -0.965 2.047 0.000) 2.263 ======================= Grid point 443 (251/290) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 2.949 0.000 -0.000) 2.949 2.695 ( -4.420 -0.000 0.000) 4.420 3.533 ( 0.679 0.000 -0.000) 0.679 4.539 ( -9.016 -0.000 0.000) 9.016 4.816 ( 14.493 0.000 -0.000) 14.493 6.444 ( -3.627 -0.000 0.000) 3.627 7.462 ( 3.097 0.000 -0.000) 3.097 8.239 ( -5.418 -0.000 0.000) 5.418 9.472 ( 6.503 0.000 -0.000) 6.503 9.504 ( 7.732 0.000 -0.000) 7.732 9.707 ( -22.957 -0.000 0.000) 22.957 9.984 ( -2.537 -0.000 0.000) 2.537 11.398 ( 15.456 0.000 -0.000) 15.456 11.985 ( -1.977 -0.000 0.000) 1.977 13.647 ( -2.277 -0.000 0.000) 2.277 14.302 ( -0.958 -0.000 0.000) 0.958 18.186 ( 1.235 0.000 -0.000) 1.235 23.054 ( -4.616 -0.000 0.000) 4.616 23.110 ( -0.007 -0.000 0.000) 0.007 29.566 ( -0.015 -0.000 0.000) 0.015 44.032 ( 0.177 0.000 -0.000) 0.177 ======================= Grid point 444 (252/290) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 0.000 -0.000 0.000) 0.000 3.908 ( 0.000 -0.000 -0.000) 0.000 3.916 ( -0.000 -0.000 -0.000) 0.000 4.596 ( 0.000 -0.000 -0.000) 0.000 4.679 ( 0.000 -0.000 0.000) 0.000 5.205 ( 0.000 -0.000 -0.000) 0.000 6.497 ( 0.000 -0.000 0.001) 0.001 6.520 ( 0.000 -0.000 -0.001) 0.001 7.569 ( 0.000 -0.000 -0.000) 0.000 9.092 ( 0.000 -0.000 -0.000) 0.000 9.624 ( 0.000 -0.000 -0.000) 0.000 9.735 ( 0.000 -0.000 0.000) 0.000 11.896 ( 0.000 -0.000 -0.000) 0.000 11.994 ( -0.000 -0.000 0.000) 0.000 12.810 ( 0.000 -0.000 -0.000) 0.000 15.835 ( 0.000 -0.000 -0.000) 0.000 17.389 ( 0.000 -0.000 -0.000) 0.000 20.995 ( 0.000 -0.000 -0.000) 0.000 21.922 ( 0.000 -0.000 -0.000) 0.000 29.988 ( 0.000 -0.000 -0.000) 0.000 43.594 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 460 (253/290) ======================= q-point: (-0.48 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.000 -5.869 2.498) 6.379 2.272 ( -0.000 -9.046 -12.863) 15.725 2.994 ( 0.000 -0.993 8.269) 8.328 3.552 ( -0.000 -16.474 -16.238) 23.131 4.465 ( -0.000 -24.341 -22.102) 32.879 5.553 ( 0.000 2.363 22.745) 22.867 6.451 ( 0.000 0.907 17.684) 17.708 6.835 ( -0.000 -25.566 -4.005) 25.878 7.779 ( 0.000 -11.249 7.658) 13.608 7.952 ( -0.000 -6.026 -11.469) 12.956 8.912 ( 0.000 -22.763 15.716) 27.662 11.324 ( -0.000 -12.340 -2.557) 12.602 12.013 ( -0.000 -29.073 -12.791) 31.762 12.553 ( 0.000 -4.830 12.053) 12.985 13.856 ( -0.000 -28.401 -5.377) 28.905 14.373 ( 0.000 4.386 0.026) 4.386 14.853 ( -0.000 12.521 -15.764) 20.132 22.864 ( 0.000 15.779 1.248) 15.828 24.280 ( 0.000 54.549 -9.179) 55.316 30.131 ( -0.000 -21.752 9.837) 23.873 44.022 ( -0.000 -2.362 0.018) 2.362 ======================= Grid point 463 (254/290) ======================= q-point: (-0.48 -0.27 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -2.918 0.344 -7.448) 8.006 2.348 ( 20.357 -9.102 -16.239) 27.586 3.093 ( 11.142 -3.801 9.909) 15.388 3.182 ( 0.601 -19.811 -2.586) 19.989 4.101 ( 4.946 -15.928 -35.678) 39.383 5.529 ( -6.043 -1.758 25.614) 26.376 6.245 ( -4.951 -2.507 -0.389) 5.563 6.741 ( 12.440 -2.017 5.302) 13.672 7.690 ( 10.367 -8.333 2.788) 13.590 7.960 ( 9.703 -3.661 -0.508) 10.383 8.478 ( 3.836 -23.352 17.444) 29.399 11.002 ( -6.206 -12.353 -5.184) 14.764 11.365 ( 8.853 -33.785 -5.394) 35.340 12.717 ( 5.386 6.235 3.449) 8.932 13.208 ( -7.659 -26.534 -2.163) 27.702 14.305 ( -9.653 4.453 -5.001) 11.748 15.551 ( 19.754 26.886 -7.315) 34.156 23.015 ( -1.860 2.567 1.589) 3.546 25.147 ( -16.737 47.305 -10.875) 51.343 29.671 ( -1.466 -21.975 8.313) 23.541 44.001 ( 1.747 -1.322 0.396) 2.226 ======================= Grid point 464 (255/290) ======================= q-point: (-0.48 -0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 3.929 6.081 -11.204) 13.340 2.536 ( 12.807 -10.996 -16.525) 23.622 2.909 ( 2.753 -12.535 2.600) 13.094 3.348 ( 22.712 -2.458 8.993) 24.551 4.085 ( 14.504 -5.821 -34.147) 37.554 5.298 ( -4.637 -3.578 22.798) 23.539 6.361 ( 9.834 2.472 10.766) 14.789 7.115 ( 15.905 8.455 -10.873) 21.040 7.826 ( 14.838 -6.359 -9.434) 18.698 8.131 ( 9.689 -2.497 16.307) 19.132 8.385 ( 21.681 -7.073 16.943) 28.411 10.782 ( 3.172 -4.148 -7.882) 9.454 11.052 ( 7.228 -18.254 -7.070) 20.868 12.455 ( -11.536 -18.281 4.695) 22.121 13.047 ( 7.508 3.495 -0.163) 8.283 14.227 ( -4.816 3.274 -7.715) 9.667 16.445 ( 18.769 19.333 3.352) 27.153 22.971 ( 0.171 -2.546 0.593) 2.620 25.318 ( -33.844 23.671 -11.431) 42.853 29.311 ( 1.962 -13.189 1.866) 13.465 44.037 ( 2.462 -0.011 1.328) 2.797 ======================= Grid point 467 (256/290) ======================= q-point: (-0.48 -0.27 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 6.142 -0.000 -11.773) 13.279 2.634 ( 11.282 -0.000 -7.431) 13.509 2.773 ( 0.415 0.000 6.011) 6.025 3.763 ( 14.714 -0.000 -4.611) 15.419 4.486 ( 27.598 -0.000 -17.439) 32.646 5.276 ( 4.104 0.000 20.752) 21.154 6.631 ( 13.762 0.000 14.315) 19.857 7.567 ( 17.485 -0.000 -17.168) 24.504 8.080 ( 16.979 -0.000 -17.916) 24.683 8.386 ( 14.683 0.000 22.335) 26.729 8.856 ( 25.239 0.000 13.335) 28.545 10.772 ( -6.193 -0.000 -19.224) 20.197 11.080 ( 17.620 -0.000 -3.859) 18.038 12.017 ( -12.267 0.000 19.623) 23.142 13.231 ( 6.042 -0.000 -6.002) 8.517 14.232 ( 1.665 -0.000 -6.274) 6.491 17.006 ( 18.036 0.000 5.796) 18.945 22.978 ( 2.359 0.000 0.014) 2.359 24.785 ( -36.050 -0.000 -11.515) 37.844 29.261 ( 4.758 0.000 -0.246) 4.764 44.078 ( 1.131 0.000 1.356) 1.766 ======================= Grid point 488 (257/290) ======================= q-point: (-0.71 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 0.837 0.000) 0.837 2.686 ( -0.000 -10.938 -0.000) 10.938 3.016 ( -0.000 -2.163 -0.000) 2.163 4.642 ( -0.000 -11.987 -0.000) 11.987 4.747 ( 0.000 14.141 0.000) 14.141 5.854 ( -0.000 -10.839 -0.000) 10.839 6.595 ( -0.000 -10.056 -0.000) 10.056 8.176 ( -0.000 -1.012 -0.000) 1.012 8.203 ( -0.000 -15.120 -0.000) 15.120 8.593 ( -0.000 -3.730 -0.000) 3.730 9.859 ( -0.000 -18.089 -0.000) 18.089 11.335 ( 0.000 19.117 0.000) 19.117 11.982 ( -0.000 -5.508 -0.000) 5.508 13.218 ( 0.000 3.993 0.000) 3.993 14.099 ( 0.000 3.018 0.000) 3.018 15.121 ( -0.000 -6.034 -0.000) 6.034 16.712 ( -0.000 -40.455 -0.000) 40.455 21.133 ( 0.000 30.215 0.000) 30.215 21.828 ( 0.000 20.148 0.000) 20.148 30.991 ( -0.000 -8.551 -0.000) 8.551 44.143 ( -0.000 -1.110 -0.000) 1.110 ======================= Grid point 492 (258/290) ======================= q-point: (-0.71 -0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -0.145 -13.453 -0.000) 13.454 2.792 ( 18.079 -1.411 -0.000) 18.134 3.141 ( 13.850 -0.982 -0.000) 13.885 4.370 ( -2.317 -13.142 -0.000) 13.345 4.955 ( -2.802 10.060 0.000) 10.443 5.515 ( -4.822 -16.758 -0.000) 17.438 6.325 ( -8.185 -10.239 0.000) 13.108 7.783 ( -4.763 -19.161 -0.000) 19.744 8.170 ( 7.007 -5.112 -0.000) 8.674 8.534 ( 5.120 -7.954 -0.000) 9.460 9.505 ( -0.143 -18.052 -0.000) 18.053 11.675 ( -14.014 -8.340 0.000) 16.308 11.802 ( 8.609 18.573 0.000) 20.472 13.185 ( -5.714 -2.869 0.000) 6.394 14.355 ( 16.303 3.133 -0.000) 16.601 14.763 ( -11.680 -16.850 -0.000) 20.502 15.776 ( -1.172 -45.988 -0.000) 46.003 21.781 ( -1.750 34.454 0.000) 34.499 22.391 ( -1.964 37.136 0.000) 37.187 30.727 ( -4.227 -13.512 -0.000) 14.158 44.099 ( -1.316 -1.515 0.000) 2.007 ======================= Grid point 494 (259/290) ======================= q-point: (-0.71 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 5.854 -12.625 -0.000) 13.916 3.243 ( 27.043 -2.101 -0.000) 27.125 3.444 ( 16.426 -3.341 -0.000) 16.762 4.030 ( -3.633 -15.617 -0.000) 16.034 5.027 ( -5.636 5.760 0.000) 8.059 5.111 ( -1.784 -14.255 -0.000) 14.366 5.908 ( -13.302 -3.789 0.000) 13.831 7.399 ( 3.068 -15.945 -0.000) 16.237 8.317 ( 16.684 -4.225 -0.000) 17.211 8.515 ( 9.262 -8.525 -0.000) 12.588 9.134 ( -1.007 -19.119 -0.000) 19.146 11.186 ( -17.325 -5.591 0.000) 18.205 12.366 ( 12.014 16.013 -0.000) 20.019 12.872 ( -4.975 -16.907 -0.000) 17.624 14.043 ( -19.303 -22.738 0.000) 29.826 14.497 ( 7.565 -23.838 -0.000) 25.010 15.407 ( 17.462 2.825 -0.000) 17.689 22.329 ( -4.021 27.004 0.000) 27.302 23.080 ( -9.607 42.718 0.000) 43.785 30.324 ( -5.217 -16.568 -0.000) 17.370 44.047 ( -1.433 -0.491 0.000) 1.515 ======================= Grid point 498 (260/290) ======================= q-point: ( 0.29 0.71 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 12.554 -7.613 -0.000) 14.683 3.550 ( 2.048 -19.201 -0.000) 19.310 3.573 ( 8.813 -11.733 -0.000) 14.675 3.806 ( 16.969 -1.080 -0.000) 17.003 4.913 ( -7.121 -0.716 0.000) 7.156 5.004 ( 11.293 -4.712 -0.000) 12.237 5.943 ( 3.515 19.164 0.000) 19.484 7.335 ( 11.538 -5.251 -0.000) 12.677 8.599 ( 13.092 -6.462 -0.000) 14.600 8.689 ( 17.952 -1.105 -0.000) 17.986 8.742 ( 5.203 -18.082 -0.000) 18.815 10.848 ( -10.026 1.558 0.000) 10.146 12.399 ( 3.646 -27.470 -0.000) 27.711 12.849 ( 4.954 5.502 -0.000) 7.404 13.155 ( -17.072 -19.486 0.000) 25.907 14.187 ( -1.888 -7.899 -0.000) 8.122 16.128 ( 26.379 15.717 -0.000) 30.706 22.670 ( -4.136 17.200 0.000) 17.691 23.569 ( -19.215 36.360 0.000) 41.125 29.915 ( -2.492 -15.971 -0.000) 16.164 44.026 ( -1.269 1.134 0.000) 1.702 ======================= Grid point 500 (261/290) ======================= q-point: ( 0.29 0.71 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 12.983 -2.344 -0.000) 13.193 3.153 ( -0.884 -17.534 -0.000) 17.556 3.389 ( 3.223 -16.108 -0.000) 16.428 4.113 ( 10.731 0.316 -0.000) 10.736 4.843 ( -1.051 1.229 0.000) 1.618 5.389 ( 24.647 2.898 -0.000) 24.816 6.562 ( 14.195 17.764 -0.000) 22.738 7.727 ( 17.173 16.437 -0.000) 23.772 8.432 ( 1.945 -12.921 -0.000) 13.066 8.795 ( 14.905 -3.621 -0.000) 15.339 9.219 ( 24.914 0.334 -0.000) 24.917 10.823 ( -2.260 7.204 0.000) 7.550 12.026 ( 10.215 -24.293 -0.000) 26.353 12.051 ( -24.739 -27.246 0.000) 36.801 13.324 ( 8.527 7.282 -0.000) 11.213 14.126 ( -3.436 6.248 0.000) 7.131 16.972 ( 24.410 15.088 -0.000) 28.697 22.868 ( -1.558 10.061 0.000) 10.181 23.694 ( -24.252 23.241 0.000) 33.590 29.632 ( 1.557 -11.611 -0.000) 11.715 44.033 ( -1.313 2.073 0.000) 2.454 ======================= Grid point 504 (262/290) ======================= q-point: ( 0.29 0.71 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 4.304 -3.098 -0.000) 5.303 2.874 ( -0.429 -9.403 -0.000) 9.413 3.263 ( 9.915 -7.627 -0.000) 12.509 4.317 ( 9.498 0.452 -0.000) 9.509 4.827 ( -3.566 0.624 0.000) 3.620 5.973 ( 22.191 3.920 -0.000) 22.534 7.066 ( 14.010 4.226 -0.000) 14.634 8.306 ( 3.091 -5.897 -0.000) 6.658 8.584 ( 17.920 27.631 0.000) 32.934 9.050 ( 13.888 -1.403 -0.000) 13.959 9.676 ( 18.275 -0.259 -0.000) 18.277 10.959 ( 2.316 5.500 0.000) 5.967 11.026 ( -24.600 -23.945 0.000) 34.330 11.891 ( 11.088 -12.544 -0.000) 16.742 13.567 ( 4.976 3.174 -0.000) 5.902 14.236 ( -1.314 8.259 0.000) 8.363 17.664 ( 18.659 8.933 -0.000) 20.687 23.016 ( 0.929 5.650 0.000) 5.726 23.527 ( -21.798 10.047 0.000) 24.002 29.523 ( 3.631 -5.553 -0.000) 6.635 44.045 ( -1.264 1.676 0.000) 2.099 ======================= Grid point 506 (263/290) ======================= q-point: ( 0.29 0.71 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 1.842 0.000 -0.000) 1.842 2.761 ( -1.998 -0.000 0.000) 1.998 3.424 ( 9.136 0.000 -0.000) 9.136 4.542 ( 11.936 0.000 -0.000) 11.936 4.714 ( -7.446 -0.000 0.000) 7.446 6.367 ( 10.855 0.000 -0.000) 10.855 7.338 ( 8.891 0.000 -0.000) 8.891 8.294 ( 0.056 0.000 -0.000) 0.056 9.276 ( 14.309 0.000 -0.000) 14.309 9.292 ( 10.895 0.000 -0.000) 10.895 9.941 ( 7.395 0.000 -0.000) 7.395 10.209 ( -25.404 -0.000 0.000) 25.404 11.133 ( 9.477 0.000 -0.000) 9.477 11.948 ( 5.469 0.000 -0.000) 5.469 13.659 ( 1.208 0.000 -0.000) 1.208 14.316 ( -0.469 -0.000 0.000) 0.469 18.060 ( 10.825 0.000 -0.000) 10.825 23.099 ( 0.973 0.000 -0.000) 0.973 23.244 ( -13.902 -0.000 0.000) 13.902 29.539 ( 2.532 0.000 -0.000) 2.532 44.040 ( -0.837 -0.000 0.000) 0.837 ======================= Grid point 526 (264/290) ======================= q-point: (-0.45 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -0.000 -9.512 -17.737) 20.127 2.112 ( -0.000 -1.082 -9.477) 9.538 2.970 ( 0.000 -1.423 10.664) 10.759 3.175 ( -0.000 -21.060 -1.989) 21.153 4.049 ( -0.000 -17.453 -38.571) 42.336 5.591 ( 0.000 1.842 27.431) 27.493 6.371 ( -0.000 -21.091 -3.883) 21.446 6.547 ( 0.000 8.525 7.637) 11.445 7.573 ( 0.000 -9.403 8.266) 12.519 7.859 ( -0.000 -3.630 -3.920) 5.342 8.440 ( 0.000 -24.833 16.561) 29.848 11.106 ( -0.000 -9.622 -3.010) 10.082 11.231 ( -0.000 -39.715 -6.246) 40.203 12.656 ( 0.000 7.237 4.368) 8.453 13.294 ( -0.000 -27.783 -2.160) 27.867 14.447 ( 0.000 3.127 -0.017) 3.127 15.302 ( 0.000 30.159 -14.652) 33.530 23.035 ( 0.000 1.867 1.843) 2.623 25.329 ( 0.000 51.189 -10.469) 52.249 29.689 ( -0.000 -22.811 10.101) 24.947 43.980 ( -0.000 -1.873 0.003) 1.873 ======================= Grid point 527 (265/290) ======================= q-point: (-0.45 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 2.188 0.674 -19.481) 19.615 2.181 ( 18.671 -7.194 -21.753) 29.556 2.847 ( 2.155 -11.312 8.181) 14.125 3.020 ( 8.066 -3.900 12.820) 15.641 3.865 ( 7.461 -8.346 -45.539) 46.895 5.468 ( -10.855 -3.587 25.617) 28.052 6.170 ( 8.871 -3.356 6.393) 11.438 6.845 ( 9.686 8.439 -7.794) 15.026 7.553 ( 10.999 -5.436 2.094) 12.446 7.912 ( 10.408 -1.578 7.124) 12.711 8.080 ( 7.321 -15.276 18.680) 25.217 10.676 ( 5.111 -17.337 -5.225) 18.815 10.975 ( 1.636 -8.168 -5.195) 9.817 12.639 ( -5.412 -15.619 0.172) 16.531 12.924 ( 3.324 0.369 1.884) 3.838 14.379 ( -8.656 2.737 -4.064) 9.946 16.082 ( 15.249 24.087 -1.939) 28.574 22.971 ( -0.119 -5.219 0.987) 5.313 25.934 ( -23.494 30.920 -8.156) 39.680 29.287 ( 0.477 -15.908 3.688) 16.337 43.981 ( 2.526 -0.681 0.638) 2.693 ======================= Grid point 530 (266/290) ======================= q-point: (-0.45 -0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 7.310 -0.000 -18.151) 19.567 2.435 ( 9.890 -0.000 -18.507) 20.984 2.763 ( 0.507 0.000 9.433) 9.447 3.322 ( 24.997 0.000 8.983) 26.562 4.029 ( 15.739 -0.000 -35.941) 39.236 5.260 ( -3.181 0.000 22.696) 22.917 6.378 ( 11.230 0.000 15.092) 18.812 7.212 ( 16.012 -0.000 -16.943) 23.312 7.755 ( 14.276 -0.000 -11.752) 18.491 8.118 ( 11.028 0.000 23.355) 25.828 8.321 ( 25.175 0.000 14.763) 29.184 10.739 ( 14.723 -0.000 -4.529) 15.404 10.869 ( -3.083 -0.000 -12.263) 12.645 12.262 ( -11.071 0.000 7.505) 13.375 13.084 ( 7.651 0.000 -0.808) 7.693 14.261 ( -4.684 -0.000 -7.435) 8.788 16.652 ( 16.238 0.000 5.881) 17.270 22.933 ( 1.923 0.000 0.025) 1.923 25.558 ( -37.577 -0.000 -10.942) 39.138 29.174 ( 3.552 0.000 -0.361) 3.570 44.037 ( 2.782 0.000 1.543) 3.182 ======================= Grid point 554 (267/290) ======================= q-point: (-0.68 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -0.000 -12.188 -0.000) 12.188 2.594 ( -0.000 -1.862 -0.000) 1.862 2.975 ( -0.000 -2.042 -0.000) 2.042 4.394 ( -0.000 -13.370 -0.000) 13.370 4.984 ( 0.000 10.074 0.000) 10.074 5.567 ( -0.000 -18.034 -0.000) 18.034 6.409 ( -0.000 -8.704 -0.000) 8.704 7.845 ( -0.000 -21.341 -0.000) 21.341 8.095 ( -0.000 -6.977 -0.000) 6.977 8.477 ( -0.000 -7.905 -0.000) 7.905 9.506 ( -0.000 -18.247 -0.000) 18.247 11.708 ( 0.000 18.890 0.000) 18.890 11.823 ( -0.000 -10.398 -0.000) 10.398 13.250 ( -0.000 -2.456 -0.000) 2.456 14.179 ( 0.000 4.841 0.000) 4.841 14.885 ( -0.000 -17.615 -0.000) 17.615 15.787 ( -0.000 -48.812 -0.000) 48.812 21.800 ( 0.000 35.039 0.000) 35.039 22.412 ( 0.000 38.911 0.000) 38.911 30.771 ( -0.000 -14.017 -0.000) 14.017 44.112 ( -0.000 -1.951 -0.000) 1.951 ======================= Grid point 556 (268/290) ======================= q-point: (-0.68 -0.32 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -2.256 -10.310 -0.000) 10.554 2.744 ( 19.126 -3.463 -0.000) 19.437 3.110 ( 14.537 -2.290 -0.000) 14.716 4.090 ( -2.031 -16.106 -0.000) 16.234 5.109 ( -2.496 5.506 0.000) 6.045 5.158 ( -2.108 -18.738 -0.000) 18.857 6.168 ( -9.956 -5.068 0.000) 11.172 7.372 ( -0.349 -22.407 -0.000) 22.410 8.029 ( 10.314 -8.960 -0.000) 13.662 8.360 ( 5.564 -9.557 -0.000) 11.059 9.139 ( 0.154 -19.732 -0.000) 19.732 11.484 ( -10.491 -10.777 0.000) 15.040 12.151 ( 8.018 16.893 0.000) 18.699 12.958 ( -3.157 -24.096 -0.000) 24.302 14.339 ( 6.010 -5.326 -0.000) 8.030 14.351 ( -10.224 -24.863 -0.000) 26.883 15.141 ( 8.787 -12.697 -0.000) 15.441 22.398 ( -2.488 27.573 0.000) 27.685 23.244 ( -5.833 49.108 0.000) 49.453 30.412 ( -3.107 -18.567 -0.000) 18.826 44.065 ( -0.419 -1.852 -0.000) 1.899 ======================= Grid point 560 (269/290) ======================= q-point: (-0.68 -0.32 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 3.622 -5.144 -0.000) 6.291 3.186 ( 27.090 -4.069 -0.000) 27.394 3.335 ( 13.597 -7.913 -0.000) 15.732 3.685 ( -1.053 -19.412 -0.000) 19.441 4.864 ( 3.170 -10.415 -0.000) 10.886 5.069 ( -6.610 -1.650 0.000) 6.813 5.971 ( -6.248 9.937 0.000) 11.738 7.108 ( 9.951 -12.527 -0.000) 15.998 8.213 ( 21.819 -6.051 -0.000) 22.643 8.352 ( 10.537 -7.920 -0.000) 13.182 8.738 ( 0.408 -21.318 -0.000) 21.322 11.071 ( -10.922 -5.929 0.000) 12.427 12.323 ( 3.851 -36.490 -0.000) 36.692 12.649 ( 10.774 12.734 -0.000) 16.680 13.542 ( -16.843 -27.902 -0.000) 32.591 14.211 ( -1.426 -4.459 -0.000) 4.681 15.623 ( 22.267 16.607 -0.000) 27.778 22.756 ( -3.982 16.219 0.000) 16.700 23.956 ( -17.512 45.608 0.000) 48.855 29.968 ( -2.530 -19.459 -0.000) 19.623 44.038 ( 0.083 -0.479 -0.000) 0.486 ======================= Grid point 562 (270/290) ======================= q-point: ( 0.32 0.68 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 9.705 1.904 -0.000) 9.890 3.153 ( 1.207 -20.140 -0.000) 20.177 3.300 ( 5.887 -15.899 -0.000) 16.954 3.803 ( 20.454 0.356 -0.000) 20.457 4.882 ( -3.305 -2.054 0.000) 3.891 4.936 ( 16.967 -2.248 -0.000) 17.115 6.316 ( 9.246 15.022 0.000) 17.640 7.359 ( 18.075 10.090 -0.000) 20.700 8.369 ( 4.150 -18.298 -0.000) 18.762 8.487 ( 14.484 -5.017 -0.000) 15.329 8.674 ( 26.924 -1.350 -0.000) 26.958 10.884 ( -3.426 2.195 0.000) 4.069 11.815 ( 10.046 -29.143 -0.000) 30.825 12.528 ( -20.784 -27.643 0.000) 34.584 13.132 ( 9.523 7.184 -0.000) 11.929 14.176 ( -1.824 3.754 0.000) 4.174 16.469 ( 23.675 18.522 -0.000) 30.059 22.907 ( -2.210 7.280 0.000) 7.608 24.237 ( -27.656 30.778 0.000) 41.379 29.605 ( 1.023 -15.067 -0.000) 15.102 44.046 ( 0.102 0.887 0.000) 0.893 ======================= Grid point 566 (271/290) ======================= q-point: ( 0.32 0.68 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 7.064 4.346 -0.000) 8.294 2.863 ( 1.510 -11.183 -0.000) 11.285 3.081 ( 7.130 -14.440 -0.000) 16.104 4.121 ( 10.463 0.418 -0.000) 10.472 4.862 ( 0.046 0.641 0.000) 0.642 5.439 ( 28.028 1.996 -0.000) 28.099 6.759 ( 15.065 4.164 -0.000) 15.630 8.169 ( 21.758 24.320 -0.000) 32.632 8.207 ( 6.217 -9.054 -0.000) 10.983 8.736 ( 16.123 -2.564 -0.000) 16.325 9.219 ( 25.374 -0.174 -0.000) 25.375 10.944 ( -0.120 4.848 0.000) 4.850 11.537 ( -24.356 -23.013 0.000) 33.508 11.627 ( 14.012 -15.170 -0.000) 20.651 13.432 ( 7.877 3.766 -0.000) 8.731 14.253 ( -0.323 5.377 0.000) 5.387 17.240 ( 21.571 10.985 -0.000) 24.207 22.996 ( 1.014 3.574 0.000) 3.715 24.059 ( -29.355 13.319 0.000) 32.235 29.441 ( 4.130 -7.316 -0.000) 8.401 44.065 ( -0.493 1.132 0.000) 1.234 ======================= Grid point 568 (272/290) ======================= q-point: ( 0.32 0.68 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 0.999 0.000 -0.000) 0.999 2.779 ( 0.311 0.000 -0.000) 0.311 3.184 ( 13.369 0.000 -0.000) 13.369 4.322 ( 9.602 0.000 -0.000) 9.602 4.833 ( -3.849 -0.000 0.000) 3.849 6.012 ( 22.910 0.000 -0.000) 22.910 7.101 ( 13.713 0.000 -0.000) 13.713 8.243 ( 4.613 0.000 -0.000) 4.613 8.919 ( 20.074 0.000 -0.000) 20.074 9.026 ( 14.639 0.000 -0.000) 14.639 9.673 ( 18.142 0.000 -0.000) 18.142 10.746 ( -26.252 -0.000 0.000) 26.252 11.013 ( 2.622 0.000 -0.000) 2.622 11.766 ( 11.891 0.000 -0.000) 11.891 13.597 ( 4.674 0.000 -0.000) 4.674 14.320 ( 0.176 0.000 -0.000) 0.176 17.757 ( 17.862 0.000 -0.000) 17.862 23.070 ( 1.800 0.000 -0.000) 1.800 23.627 ( -23.093 -0.000 0.000) 23.093 29.466 ( 4.358 0.000 -0.000) 4.358 44.061 ( -1.037 -0.000 0.000) 1.037 ======================= Grid point 591 (273/290) ======================= q-point: (-0.41 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 -6.560 -22.418) 23.358 2.067 ( -0.000 -4.705 -22.267) 22.759 2.835 ( 0.000 -10.899 9.980) 14.778 2.943 ( 0.000 -1.164 12.656) 12.709 3.783 ( -0.000 -9.891 -50.771) 51.725 5.631 ( 0.000 2.069 35.146) 35.207 6.042 ( -0.000 -11.940 -3.794) 12.528 6.740 ( -0.000 9.325 -6.986) 11.652 7.426 ( 0.000 -5.325 8.664) 10.170 7.797 ( -0.000 -3.478 2.118) 4.072 8.013 ( 0.000 -16.081 18.729) 24.685 10.619 ( -0.000 -21.572 -5.263) 22.205 10.959 ( -0.000 -5.256 -3.307) 6.210 12.682 ( -0.000 -9.624 0.197) 9.626 12.905 ( -0.000 -5.625 1.983) 5.964 14.493 ( 0.000 1.613 -0.047) 1.614 15.900 ( 0.000 27.148 -7.026) 28.043 22.973 ( -0.000 -6.294 1.185) 6.404 26.193 ( 0.000 34.594 -5.420) 35.016 29.284 ( -0.000 -17.153 4.906) 17.841 43.951 ( -0.000 -1.031 -0.010) 1.031 ======================= Grid point 594 (274/290) ======================= q-point: (-0.41 -0.34 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.359 -0.000 -23.505) 24.108 2.115 ( 19.982 -0.000 -24.939) 31.956 2.753 ( 0.406 0.000 11.770) 11.777 2.972 ( 6.701 0.000 13.519) 15.088 3.781 ( 8.919 -0.000 -48.307) 49.123 5.427 ( -12.553 0.000 24.306) 27.356 6.139 ( 12.499 0.000 12.454) 17.644 6.941 ( 9.512 -0.000 -15.584) 18.258 7.496 ( 10.429 0.000 0.662) 10.450 7.887 ( 15.002 0.000 7.945) 16.976 7.939 ( 6.038 0.000 22.920) 23.702 10.496 ( 8.354 -0.000 -4.955) 9.713 10.904 ( -0.558 -0.000 -5.850) 5.877 12.455 ( -6.941 0.000 1.367) 7.074 12.946 ( 4.900 0.000 1.433) 5.105 14.406 ( -8.045 -0.000 -3.694) 8.853 16.345 ( 12.654 0.000 2.211) 12.846 22.902 ( 1.077 0.000 0.034) 1.078 26.255 ( -27.069 -0.000 -4.798) 27.490 29.118 ( 1.871 -0.000 -0.448) 1.924 43.974 ( 2.825 0.000 0.765) 2.926 ======================= Grid point 619 (275/290) ======================= q-point: (-0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.000 -8.710 -0.000) 8.710 2.533 ( -0.000 -4.303 -0.000) 4.303 2.934 ( -0.000 -2.293 -0.000) 2.293 4.111 ( -0.000 -16.233 -0.000) 16.233 5.134 ( 0.000 5.129 0.000) 5.129 5.182 ( -0.000 -20.274 -0.000) 20.274 6.274 ( -0.000 -4.397 -0.000) 4.397 7.384 ( -0.000 -25.359 -0.000) 25.359 7.918 ( -0.000 -10.667 -0.000) 10.667 8.299 ( -0.000 -9.891 -0.000) 9.891 9.137 ( -0.000 -19.877 -0.000) 19.877 11.594 ( -0.000 -12.531 -0.000) 12.531 12.063 ( 0.000 17.242 0.000) 17.242 12.992 ( -0.000 -27.742 -0.000) 27.742 14.278 ( 0.000 5.133 0.000) 5.133 14.457 ( -0.000 -25.614 -0.000) 25.614 15.046 ( -0.000 -21.044 -0.000) 21.044 22.425 ( 0.000 27.791 0.000) 27.791 23.307 ( 0.000 51.540 0.000) 51.540 30.445 ( -0.000 -19.249 -0.000) 19.249 44.069 ( -0.000 -2.391 -0.000) 2.391 ======================= Grid point 623 (276/290) ======================= q-point: (-0.64 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -4.828 -2.107 0.000) 5.267 2.661 ( 20.730 -4.861 -0.000) 21.293 3.046 ( 13.070 -4.368 -0.000) 13.781 3.713 ( -1.200 -22.942 -0.000) 22.973 4.835 ( 0.294 -13.186 -0.000) 13.189 5.158 ( -2.149 -0.863 0.000) 2.316 6.157 ( -9.534 4.248 0.000) 10.438 6.941 ( 5.838 -20.431 -0.000) 21.249 7.839 ( 13.314 -9.991 -0.000) 16.646 8.175 ( 6.337 -9.080 -0.000) 11.073 8.725 ( 0.664 -22.855 -0.000) 22.864 11.269 ( -7.451 -10.991 -0.000) 13.278 12.242 ( 3.620 -44.507 -0.000) 44.653 12.454 ( 7.356 13.916 0.000) 15.741 13.813 ( -9.031 -29.610 -0.000) 30.956 14.282 ( -5.589 1.318 0.000) 5.742 15.215 ( 16.700 15.172 -0.000) 22.563 22.825 ( -2.516 15.609 0.000) 15.810 24.257 ( -10.778 53.158 0.000) 54.240 30.013 ( -1.674 -21.840 -0.000) 21.904 44.029 ( 0.566 -1.816 -0.000) 1.902 ======================= Grid point 625 (277/290) ======================= q-point: ( 0.36 0.64 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.558 5.605 0.000) 5.633 3.039 ( 15.052 -13.053 -0.000) 19.924 3.141 ( 9.229 -11.708 -0.000) 14.908 3.344 ( 16.472 -12.115 -0.000) 20.447 4.714 ( 5.532 -5.064 -0.000) 7.499 4.982 ( -5.706 -6.390 0.000) 8.567 6.195 ( 1.902 8.659 0.000) 8.866 6.999 ( 16.312 4.501 -0.000) 16.921 8.091 ( 24.248 -6.505 -0.000) 25.105 8.212 ( 11.811 -6.438 -0.000) 13.452 8.320 ( 4.567 -20.380 -0.000) 20.886 10.961 ( -4.068 -5.218 0.000) 6.616 11.612 ( 9.600 -32.904 -0.000) 34.276 12.807 ( 0.443 -4.721 -0.000) 4.742 13.029 ( -6.247 -15.678 -0.000) 16.877 14.228 ( -3.902 3.760 0.000) 5.418 16.009 ( 20.744 21.862 -0.000) 30.137 22.956 ( -2.407 4.542 0.000) 5.140 24.802 ( -25.935 39.406 0.000) 47.175 29.591 ( 0.334 -18.293 -0.000) 18.296 44.029 ( 1.414 -0.367 -0.000) 1.461 ======================= Grid point 629 (278/290) ======================= q-point: ( 0.36 0.64 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 5.390 10.915 0.000) 12.173 2.813 ( 3.280 -13.332 -0.000) 13.730 2.968 ( 4.285 -17.503 -0.000) 18.020 3.812 ( 21.578 0.465 -0.000) 21.583 4.845 ( 0.842 -1.506 -0.000) 1.725 4.911 ( 20.160 -0.533 -0.000) 20.167 6.466 ( 12.837 2.189 -0.000) 13.022 7.707 ( 22.327 21.033 -0.000) 30.674 8.062 ( 7.517 -12.028 -0.000) 14.184 8.401 ( 15.857 -3.919 -0.000) 16.334 8.649 ( 29.174 -1.038 -0.000) 29.192 10.938 ( 1.389 3.484 0.000) 3.751 11.339 ( 12.978 -18.674 -0.000) 22.741 12.015 ( -21.456 -22.206 0.000) 30.879 13.248 ( 9.670 4.225 -0.000) 10.552 14.258 ( -0.635 3.581 0.000) 3.637 16.802 ( 20.302 13.860 -0.000) 24.581 22.977 ( 0.769 0.831 -0.000) 1.132 24.722 ( -34.163 17.815 0.000) 38.529 29.358 ( 3.699 -9.353 -0.000) 10.058 44.060 ( 1.023 0.485 -0.000) 1.132 ======================= Grid point 631 (279/290) ======================= q-point: ( 0.36 0.64 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.669 0.000 -0.000) 0.669 2.749 ( 2.545 0.000 -0.000) 2.545 2.907 ( 12.527 0.000 -0.000) 12.527 4.126 ( 10.368 0.000 -0.000) 10.368 4.868 ( 0.443 0.000 -0.000) 0.443 5.459 ( 29.133 0.000 -0.000) 29.133 6.791 ( 15.646 0.000 -0.000) 15.646 8.113 ( 7.699 0.000 -0.000) 7.699 8.461 ( 23.722 0.000 -0.000) 23.722 8.697 ( 16.824 0.000 -0.000) 16.824 9.217 ( 25.502 0.000 -0.000) 25.502 10.996 ( -0.346 -0.000 0.000) 0.346 11.282 ( -25.266 -0.000 0.000) 25.266 11.471 ( 16.190 0.000 -0.000) 16.190 13.469 ( 7.607 0.000 -0.000) 7.607 14.308 ( 0.877 0.000 -0.000) 0.877 17.354 ( 20.277 0.000 -0.000) 20.277 23.027 ( 2.308 0.000 -0.000) 2.308 24.192 ( -31.235 -0.000 0.000) 31.235 29.366 ( 5.079 0.000 -0.000) 5.079 44.076 ( -0.202 -0.000 0.000) 0.202 ======================= Grid point 659 (280/290) ======================= q-point: (-0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.000 -0.000 -24.523) 24.523 1.991 ( -0.000 -0.000 -25.735) 25.735 2.748 ( 0.000 0.000 12.612) 12.612 2.931 ( 0.000 0.000 13.469) 13.469 3.680 ( -0.000 -0.000 -55.476) 55.476 5.656 ( 0.000 0.000 39.679) 39.679 5.923 ( -0.000 -0.000 -3.760) 3.760 6.840 ( -0.000 -0.000 -14.943) 14.943 7.373 ( 0.000 0.000 8.801) 8.801 7.734 ( 0.000 0.000 1.952) 1.952 7.876 ( 0.000 0.000 22.623) 22.623 10.408 ( -0.000 -0.000 -5.099) 5.099 10.907 ( -0.000 -0.000 -3.411) 3.411 12.528 ( 0.000 0.000 0.255) 0.255 12.897 ( 0.000 0.000 2.235) 2.235 14.509 ( -0.000 -0.000 -0.058) 0.058 16.196 ( -0.000 -0.000 -1.517) 1.517 22.890 ( 0.000 0.000 0.037) 0.037 26.556 ( 0.000 0.000 0.184) 0.184 29.098 ( -0.000 -0.000 -0.481) 0.481 43.941 ( -0.000 -0.000 -0.015) 0.015 ======================= Grid point 688 (281/290) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.000 -0.733 -0.000) 0.733 2.430 ( -0.000 -6.039 -0.000) 6.039 2.884 ( -0.000 -2.880 -0.000) 2.880 3.726 ( -0.000 -23.866 -0.000) 23.866 4.834 ( -0.000 -14.005 -0.000) 14.005 5.177 ( -0.000 -0.949 -0.000) 0.949 6.271 ( 0.000 4.933 0.000) 4.933 6.879 ( -0.000 -25.679 -0.000) 25.679 7.696 ( -0.000 -11.570 -0.000) 11.570 8.106 ( -0.000 -9.523 -0.000) 9.523 8.717 ( -0.000 -23.281 -0.000) 23.281 11.350 ( -0.000 -12.070 -0.000) 12.070 12.199 ( -0.000 -48.266 -0.000) 48.266 12.373 ( 0.000 14.307 0.000) 14.307 13.908 ( -0.000 -30.104 -0.000) 30.104 14.373 ( 0.000 4.410 0.000) 4.410 15.010 ( 0.000 13.784 0.000) 13.784 22.852 ( 0.000 15.414 0.000) 15.414 24.373 ( 0.000 56.153 0.000) 56.153 30.031 ( -0.000 -22.679 -0.000) 22.679 44.022 ( -0.000 -2.355 -0.000) 2.355 ======================= Grid point 690 (282/290) ======================= q-point: (-0.61 -0.39 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -6.252 7.101 0.000) 9.461 2.563 ( 22.431 -4.889 -0.000) 22.957 2.940 ( 9.334 -6.365 -0.000) 11.297 3.211 ( 1.864 -27.154 -0.000) 27.218 4.657 ( 0.955 -5.444 -0.000) 5.527 5.077 ( -2.834 -6.877 -0.000) 7.439 6.250 ( -6.859 -0.873 0.000) 6.915 6.696 ( 12.998 1.477 -0.000) 13.082 7.657 ( 15.900 -8.285 -0.000) 17.929 8.012 ( 7.115 -7.517 -0.000) 10.351 8.255 ( 2.076 -24.524 -0.000) 24.612 11.055 ( -5.033 -11.766 -0.000) 12.797 11.419 ( 8.812 -35.346 -0.000) 36.427 12.682 ( 6.297 8.772 0.000) 10.798 13.229 ( -8.058 -28.759 -0.000) 29.867 14.349 ( -7.160 4.112 0.000) 8.256 15.625 ( 15.530 25.070 0.000) 29.491 23.000 ( -1.654 2.527 0.000) 3.020 25.254 ( -16.407 47.019 0.000) 49.799 29.589 ( -0.062 -20.629 -0.000) 20.629 43.997 ( 1.453 -1.427 -0.000) 2.037 ======================= Grid point 694 (283/290) ======================= q-point: ( 0.39 0.61 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.990 13.370 0.000) 13.407 2.730 ( 4.954 -14.553 -0.000) 15.373 2.885 ( 3.983 -14.239 -0.000) 14.786 3.222 ( 32.861 -2.701 -0.000) 32.972 4.654 ( 5.958 -1.534 -0.000) 6.152 4.856 ( -2.348 -5.509 -0.000) 5.989 6.241 ( 8.759 -1.619 -0.000) 8.907 7.275 ( 18.777 18.631 -0.000) 26.451 7.900 ( 9.203 -12.538 -0.000) 15.553 8.058 ( 25.453 -5.241 -0.000) 25.987 8.099 ( 13.031 -5.235 -0.000) 14.043 10.860 ( 6.137 -5.499 -0.000) 8.240 11.128 ( 7.038 -15.276 -0.000) 16.819 12.404 ( -15.713 -21.050 0.000) 26.268 13.048 ( 9.166 4.224 -0.000) 10.092 14.301 ( -3.941 3.019 0.000) 4.964 16.412 ( 17.242 17.260 -0.000) 24.397 22.965 ( 0.340 -2.159 -0.000) 2.185 25.429 ( -32.946 23.306 0.000) 40.356 29.292 ( 2.623 -11.309 -0.000) 11.609 44.024 ( 2.316 -0.193 -0.000) 2.324 ======================= Grid point 696 (284/290) ======================= q-point: ( 0.39 0.61 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 0.856 0.000 -0.000) 0.856 2.676 ( 4.410 0.000 -0.000) 4.410 2.705 ( 6.283 0.000 -0.000) 6.283 3.817 ( 21.928 0.000 -0.000) 21.928 4.829 ( 2.603 0.000 -0.000) 2.603 4.907 ( 21.175 0.000 -0.000) 21.175 6.478 ( 14.195 0.000 -0.000) 14.195 7.938 ( 8.884 0.000 -0.000) 8.884 7.962 ( 23.927 0.000 -0.000) 23.927 8.348 ( 16.564 0.000 -0.000) 16.564 8.638 ( 29.924 0.000 -0.000) 29.924 11.007 ( -0.308 -0.000 0.000) 0.308 11.120 ( 17.256 0.000 -0.000) 17.256 11.775 ( -22.125 -0.000 0.000) 22.125 13.290 ( 9.481 0.000 -0.000) 9.481 14.295 ( -0.098 -0.000 0.000) 0.098 16.948 ( 18.620 0.000 -0.000) 18.620 22.978 ( 2.364 0.000 -0.000) 2.364 24.900 ( -36.661 -0.000 0.000) 36.661 29.264 ( 4.697 0.000 -0.000) 4.697 44.065 ( 1.346 0.000 -0.000) 1.346 ======================= Grid point 755 (285/290) ======================= q-point: (-0.57 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.000 6.607 0.000) 6.607 2.307 ( -0.000 -6.231 -0.000) 6.231 2.822 ( -0.000 -3.296 -0.000) 3.296 3.194 ( -0.000 -29.157 -0.000) 29.157 4.650 ( -0.000 -5.353 -0.000) 5.353 5.102 ( -0.000 -6.151 -0.000) 6.151 6.413 ( -0.000 -21.174 -0.000) 21.174 6.481 ( 0.000 16.142 0.000) 16.142 7.485 ( -0.000 -9.655 -0.000) 9.655 7.935 ( -0.000 -7.915 -0.000) 7.915 8.234 ( -0.000 -25.557 -0.000) 25.557 11.137 ( -0.000 -9.422 -0.000) 9.422 11.295 ( -0.000 -41.073 -0.000) 41.073 12.611 ( 0.000 9.660 0.000) 9.660 13.314 ( -0.000 -29.402 -0.000) 29.402 14.447 ( 0.000 3.147 0.000) 3.147 15.442 ( 0.000 27.472 0.000) 27.472 23.018 ( 0.000 1.788 0.000) 1.788 25.431 ( 0.000 50.193 0.000) 50.193 29.590 ( -0.000 -21.491 -0.000) 21.491 43.980 ( -0.000 -1.865 -0.000) 1.865 ======================= Grid point 759 (286/290) ======================= q-point: ( 0.43 0.57 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -4.036 10.551 0.000) 11.296 2.484 ( 22.427 -2.759 -0.000) 22.596 2.727 ( 7.449 -20.199 -0.000) 21.529 2.805 ( 3.484 -7.195 -0.000) 7.994 4.598 ( 0.645 -1.241 -0.000) 1.399 4.928 ( -3.671 -7.024 -0.000) 7.926 6.114 ( 3.484 -7.752 -0.000) 8.499 6.960 ( 11.019 17.929 0.000) 21.045 7.530 ( 17.861 -4.327 -0.000) 18.378 7.821 ( 4.259 -18.020 -0.000) 18.516 7.879 ( 7.818 -6.193 -0.000) 9.974 10.729 ( 5.244 -17.712 -0.000) 18.472 11.028 ( 3.213 -7.531 -0.000) 8.188 12.637 ( -6.117 -16.453 -0.000) 17.553 12.904 ( 3.745 0.579 -0.000) 3.790 14.415 ( -6.184 2.420 0.000) 6.640 16.103 ( 12.003 20.882 0.000) 24.086 22.962 ( 0.033 -4.612 -0.000) 4.612 26.011 ( -21.408 28.469 0.000) 35.620 29.252 ( 1.301 -12.791 -0.000) 12.857 43.975 ( 2.073 -0.778 -0.000) 2.214 ======================= Grid point 761 (287/290) ======================= q-point: ( 0.43 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 1.179 0.000 -0.000) 1.179 2.575 ( 5.102 0.000 -0.000) 5.102 2.656 ( -1.013 -0.000 0.000) 1.013 3.198 ( 35.600 0.000 -0.000) 35.600 4.641 ( 5.929 0.000 -0.000) 5.929 4.798 ( -0.406 -0.000 0.000) 0.406 6.216 ( 10.981 0.000 -0.000) 10.981 7.503 ( 19.735 0.000 -0.000) 19.735 7.761 ( 7.861 0.000 -0.000) 7.861 8.014 ( 29.297 0.000 -0.000) 29.297 8.031 ( 13.655 0.000 -0.000) 13.655 10.785 ( 14.461 0.000 -0.000) 14.461 10.998 ( 1.243 0.000 -0.000) 1.243 12.179 ( -16.505 -0.000 0.000) 16.505 13.092 ( 9.271 0.000 -0.000) 9.271 14.332 ( -3.748 -0.000 0.000) 3.748 16.596 ( 15.299 0.000 -0.000) 15.299 22.933 ( 1.929 0.000 -0.000) 1.929 25.664 ( -35.769 -0.000 0.000) 35.769 29.178 ( 3.497 0.000 -0.000) 3.497 44.022 ( 2.633 0.000 -0.000) 2.633 ======================= Grid point 825 (288/290) ======================= q-point: (-0.54 -0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.000 -4.098 -0.000) 4.098 2.355 ( 0.000 6.979 0.000) 6.979 2.671 ( -0.000 -21.814 -0.000) 21.814 2.763 ( -0.000 -2.474 -0.000) 2.474 4.595 ( -0.000 -1.005 -0.000) 1.005 4.971 ( -0.000 -6.124 -0.000) 6.124 6.083 ( -0.000 -11.987 -0.000) 11.987 6.843 ( 0.000 18.336 0.000) 18.336 7.334 ( -0.000 -5.458 -0.000) 5.458 7.778 ( -0.000 -18.929 -0.000) 18.929 7.794 ( -0.000 -6.528 -0.000) 6.528 10.672 ( -0.000 -21.772 -0.000) 21.772 10.993 ( -0.000 -5.149 -0.000) 5.149 12.679 ( -0.000 -8.228 -0.000) 8.228 12.884 ( -0.000 -7.253 -0.000) 7.253 14.494 ( 0.000 1.625 0.000) 1.625 15.966 ( 0.000 22.954 0.000) 22.954 22.962 ( -0.000 -5.584 -0.000) 5.584 26.243 ( 0.000 30.711 0.000) 30.711 29.238 ( -0.000 -13.359 -0.000) 13.359 43.951 ( -0.000 -1.026 -0.000) 1.026 ======================= Grid point 827 (289/290) ======================= q-point: ( 0.46 0.54 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.974 0.000 -0.000) 0.974 2.481 ( 3.600 0.000 -0.000) 3.600 2.491 ( 28.990 0.000 -0.000) 28.990 2.705 ( -2.716 -0.000 0.000) 2.716 4.589 ( 0.430 0.000 -0.000) 0.430 4.851 ( -3.959 -0.000 0.000) 3.959 6.033 ( 6.451 0.000 -0.000) 6.451 7.177 ( 11.226 0.000 -0.000) 11.226 7.492 ( 19.422 0.000 -0.000) 19.422 7.628 ( 4.654 0.000 -0.000) 4.654 7.801 ( 8.168 0.000 -0.000) 8.168 10.546 ( 8.220 0.000 -0.000) 8.220 10.963 ( 1.763 0.000 -0.000) 1.763 12.440 ( -8.427 -0.000 0.000) 8.427 12.931 ( 5.623 0.000 -0.000) 5.623 14.439 ( -5.675 -0.000 0.000) 5.675 16.326 ( 10.196 0.000 -0.000) 10.196 22.901 ( 1.080 0.000 -0.000) 1.080 26.299 ( -23.505 -0.000 0.000) 23.505 29.122 ( 1.839 0.000 -0.000) 1.839 43.967 ( 2.296 0.000 -0.000) 2.296 ======================= Grid point 894 (290/290) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.441 ( -0.000 -0.000 -0.000) 0.000 2.737 ( -0.000 -0.000 -0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.905 ( -0.000 -0.000 -0.000) 0.000 5.964 ( -0.000 -0.000 -0.000) 0.000 7.058 ( -0.000 -0.000 -0.000) 0.000 7.280 ( -0.000 -0.000 -0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.713 ( -0.000 -0.000 -0.000) 0.000 10.459 ( -0.000 -0.000 -0.000) 0.000 10.942 ( -0.000 -0.000 -0.000) 0.000 12.525 ( -0.000 -0.000 -0.000) 0.000 12.874 ( -0.000 -0.000 -0.000) 0.000 14.510 ( -0.000 -0.000 -0.000) 0.000 16.212 ( -0.000 -0.000 -0.000) 0.000 22.890 ( -0.000 -0.000 -0.000) 0.000 26.554 ( -0.000 -0.000 -0.000) 0.000 29.103 ( -0.000 -0.000 -0.000) 0.000 43.941 ( -0.000 -0.000 -0.000) 0.000 =================== 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 3/32928 10.0 1972.525 1693.442 1748.673 0.000 0.000 0.000 3/32928 20.0 632.035 670.847 726.366 0.000 0.000 0.000 3/32928 30.0 266.508 254.163 266.923 0.000 0.000 0.000 3/32928 40.0 149.512 136.621 140.328 0.000 0.000 0.000 3/32928 50.0 97.645 87.701 88.379 0.000 0.000 0.000 3/32928 60.0 69.643 62.099 61.683 0.000 0.000 0.000 3/32928 70.0 52.681 46.855 46.034 0.000 0.000 0.000 3/32928 80.0 41.643 37.041 36.068 0.000 0.000 0.000 3/32928 90.0 34.077 30.366 29.335 0.000 0.000 0.000 3/32928 100.0 28.670 25.627 24.568 0.000 0.000 0.000 3/32928 110.0 24.670 22.143 21.064 0.000 0.000 0.000 3/32928 120.0 21.622 19.504 18.404 0.000 0.000 0.000 3/32928 130.0 19.240 17.453 16.330 0.000 0.000 0.000 3/32928 140.0 17.337 15.824 14.675 0.000 0.000 0.000 3/32928 150.0 15.788 14.504 13.328 0.000 0.000 0.000 3/32928 160.0 14.505 13.416 12.212 0.000 0.000 0.000 3/32928 170.0 13.427 12.505 11.274 0.000 0.000 0.000 3/32928 180.0 12.509 11.732 10.474 0.000 0.000 0.000 3/32928 190.0 11.719 11.067 9.785 0.000 0.000 0.000 3/32928 200.0 11.031 10.489 9.186 0.000 0.000 0.000 3/32928 210.0 10.426 9.981 8.659 0.000 0.000 0.000 3/32928 220.0 9.891 9.531 8.192 0.000 0.000 0.000 3/32928 230.0 9.413 9.129 7.775 0.000 0.000 0.000 3/32928 240.0 8.984 8.767 7.401 0.000 0.000 0.000 3/32928 250.0 8.596 8.439 7.064 0.000 0.000 0.000 3/32928 260.0 8.243 8.140 6.757 0.000 0.000 0.000 3/32928 270.0 7.921 7.866 6.477 0.000 0.000 0.000 3/32928 280.0 7.626 7.613 6.221 0.000 0.000 0.000 3/32928 290.0 7.354 7.380 5.985 0.000 0.000 0.000 3/32928 300.0 7.102 7.163 5.768 0.000 0.000 0.000 3/32928 310.0 6.869 6.960 5.566 0.000 0.000 0.000 3/32928 320.0 6.651 6.771 5.379 0.000 0.000 0.000 3/32928 330.0 6.448 6.593 5.204 0.000 0.000 0.000 3/32928 340.0 6.258 6.426 5.041 0.000 0.000 0.000 3/32928 350.0 6.080 6.268 4.888 0.000 0.000 0.000 3/32928 360.0 5.913 6.119 4.745 0.000 0.000 0.000 3/32928 370.0 5.755 5.978 4.610 0.000 0.000 0.000 3/32928 380.0 5.605 5.843 4.483 0.000 0.000 0.000 3/32928 390.0 5.464 5.715 4.363 0.000 0.000 0.000 3/32928 400.0 5.330 5.594 4.249 0.000 0.000 0.000 3/32928 410.0 5.203 5.478 4.142 0.000 0.000 0.000 3/32928 420.0 5.082 5.366 4.040 0.000 0.000 0.000 3/32928 430.0 4.967 5.260 3.943 0.000 0.000 0.000 3/32928 440.0 4.857 5.158 3.850 0.000 0.000 0.000 3/32928 450.0 4.753 5.061 3.762 0.000 0.000 0.000 3/32928 460.0 4.652 4.967 3.679 0.000 0.000 0.000 3/32928 470.0 4.557 4.876 3.598 0.000 0.000 0.000 3/32928 480.0 4.465 4.790 3.522 0.000 0.000 0.000 3/32928 490.0 4.377 4.706 3.448 0.000 0.000 0.000 3/32928 500.0 4.292 4.625 3.378 0.000 0.000 0.000 3/32928 510.0 4.211 4.548 3.311 0.000 0.000 0.000 3/32928 520.0 4.133 4.472 3.246 0.000 0.000 0.000 3/32928 530.0 4.058 4.400 3.184 0.000 0.000 0.000 3/32928 540.0 3.985 4.330 3.124 0.000 0.000 0.000 3/32928 550.0 3.915 4.262 3.066 0.000 0.000 0.000 3/32928 560.0 3.848 4.196 3.011 0.000 0.000 0.000 3/32928 570.0 3.783 4.132 2.958 0.000 0.000 0.000 3/32928 580.0 3.720 4.071 2.906 0.000 0.000 0.000 3/32928 590.0 3.660 4.011 2.856 0.000 0.000 0.000 3/32928 600.0 3.601 3.953 2.808 0.000 0.000 0.000 3/32928 610.0 3.544 3.896 2.762 0.000 0.000 0.000 3/32928 620.0 3.489 3.842 2.717 0.000 0.000 0.000 3/32928 630.0 3.436 3.788 2.674 0.000 0.000 0.000 3/32928 640.0 3.384 3.737 2.632 0.000 0.000 0.000 3/32928 650.0 3.334 3.686 2.591 0.000 0.000 0.000 3/32928 660.0 3.286 3.637 2.551 0.000 0.000 0.000 3/32928 670.0 3.239 3.590 2.513 0.000 0.000 0.000 3/32928 680.0 3.193 3.543 2.476 0.000 0.000 0.000 3/32928 690.0 3.148 3.498 2.440 0.000 0.000 0.000 3/32928 700.0 3.105 3.454 2.405 0.000 0.000 0.000 3/32928 710.0 3.063 3.411 2.371 0.000 0.000 0.000 3/32928 720.0 3.022 3.369 2.338 0.000 0.000 0.000 3/32928 730.0 2.982 3.328 2.306 0.000 0.000 0.000 3/32928 740.0 2.943 3.288 2.275 0.000 0.000 0.000 3/32928 750.0 2.905 3.250 2.244 0.000 0.000 0.000 3/32928 760.0 2.869 3.212 2.215 0.000 0.000 0.000 3/32928 770.0 2.833 3.174 2.186 0.000 0.000 0.000 3/32928 780.0 2.798 3.138 2.158 0.000 0.000 0.000 3/32928 790.0 2.764 3.103 2.131 0.000 0.000 0.000 3/32928 800.0 2.730 3.068 2.104 0.000 0.000 0.000 3/32928 810.0 2.698 3.034 2.078 0.000 0.000 0.000 3/32928 820.0 2.666 3.001 2.053 0.000 0.000 0.000 3/32928 830.0 2.635 2.969 2.028 0.000 0.000 0.000 3/32928 840.0 2.605 2.937 2.004 0.000 0.000 0.000 3/32928 850.0 2.575 2.906 1.980 0.000 0.000 0.000 3/32928 860.0 2.546 2.876 1.957 0.000 0.000 0.000 3/32928 870.0 2.518 2.846 1.935 0.000 0.000 0.000 3/32928 880.0 2.491 2.817 1.913 0.000 0.000 0.000 3/32928 890.0 2.463 2.788 1.892 0.000 0.000 0.000 3/32928 900.0 2.437 2.761 1.871 0.000 0.000 0.000 3/32928 910.0 2.411 2.733 1.850 0.000 0.000 0.000 3/32928 920.0 2.386 2.706 1.830 0.000 0.000 0.000 3/32928 930.0 2.361 2.680 1.810 0.000 0.000 0.000 3/32928 940.0 2.337 2.654 1.791 0.000 0.000 0.000 3/32928 950.0 2.313 2.629 1.772 0.000 0.000 0.000 3/32928 960.0 2.290 2.604 1.754 0.000 0.000 0.000 3/32928 970.0 2.267 2.580 1.736 0.000 0.000 0.000 3/32928 980.0 2.244 2.556 1.718 0.000 0.000 0.000 3/32928 990.0 2.223 2.532 1.701 0.000 0.000 0.000 3/32928 1000.0 2.201 2.509 1.684 0.000 0.000 0.000 3/32928 Thermal conductivity related properties were written into "kappa-m21456.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:50:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|