----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:58:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.632235745000000 -5.396333885000001 0.000000000000000 b 1.632235745000000 5.396333885000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): *1 Sr 0.38706287789319 0.61293712210681 0.25000000000000 87.620 2 Sr 0.61293712210681 0.38706287789319 0.75000000000000 87.620 *3 Lu 0.86652471219988 0.13347528780012 0.92840234351153 174.967 4 Lu 0.86652471219988 0.13347528780012 0.57159765648847 174.967 5 Lu 0.13347528780012 0.86652471219988 0.07159765648847 174.967 6 Lu 0.13347528780012 0.86652471219988 0.42840234351153 174.967 *7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 *9 O 0.94763222674163 0.05236777325837 0.75000000000000 15.999 *10 O 0.76320890349781 0.23679109650219 0.10693211912729 15.999 11 O 0.76320890349781 0.23679109650219 0.39306788087271 15.999 12 O 0.23679109650219 0.76320890349781 0.60693211912729 15.999 13 O 0.23679109650219 0.76320890349781 0.89306788087271 15.999 14 O 0.05236777325837 0.94763222674163 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.264471490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.792667770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): *1 Sr 0.50000000000000 0.11293712210681 0.25000000000000 87.620 > 1 2 Sr 0.00000000000000 0.38706287789319 0.75000000000000 87.620 > 2 3 Sr 0.00000000000000 0.61293712210681 0.25000000000000 87.620 > 1 4 Sr 0.50000000000000 0.88706287789319 0.75000000000000 87.620 > 2 *5 Lu 0.00000000000000 0.13347528780012 0.92840234351153 174.967 > 3 6 Lu 0.00000000000000 0.13347528780012 0.57159765648847 174.967 > 4 7 Lu 0.50000000000000 0.36652471219988 0.07159765648847 174.967 > 5 8 Lu 0.50000000000000 0.36652471219988 0.42840234351153 174.967 > 6 9 Lu 0.50000000000000 0.63347528780012 0.92840234351153 174.967 > 3 10 Lu 0.50000000000000 0.63347528780012 0.57159765648847 174.967 > 4 11 Lu 0.00000000000000 0.86652471219988 0.07159765648847 174.967 > 5 12 Lu 0.00000000000000 0.86652471219988 0.42840234351153 174.967 > 6 *13 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *15 O 0.00000000000000 0.05236777325837 0.75000000000000 15.999 > 9 *16 O 0.00000000000000 0.23679109650219 0.10693211912729 15.999 > 10 17 O 0.00000000000000 0.23679109650219 0.39306788087271 15.999 > 11 18 O 0.50000000000000 0.26320890349781 0.60693211912729 15.999 > 12 19 O 0.50000000000000 0.26320890349781 0.89306788087271 15.999 > 13 20 O 0.50000000000000 0.44763222674163 0.25000000000000 15.999 > 14 21 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 8 23 O 0.50000000000000 0.55236777325837 0.75000000000000 15.999 > 9 24 O 0.50000000000000 0.73679109650219 0.10693211912729 15.999 > 10 25 O 0.50000000000000 0.73679109650219 0.39306788087271 15.999 > 11 26 O 0.00000000000000 0.76320890349781 0.60693211912729 15.999 > 12 27 O 0.00000000000000 0.76320890349781 0.89306788087271 15.999 > 13 28 O 0.00000000000000 0.94763222674163 0.25000000000000 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.057885960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.792667770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): *1 Sr 0.12500000000000 0.11293712210681 0.25000000000000 87.620 > 1 2 Sr 0.37500000000000 0.11293712210681 0.25000000000000 87.620 > 1 3 Sr 0.62500000000000 0.11293712210681 0.25000000000000 87.620 > 1 4 Sr 0.87500000000000 0.11293712210681 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.38706287789319 0.75000000000000 87.620 > 2 6 Sr 0.25000000000000 0.38706287789319 0.75000000000000 87.620 > 2 7 Sr 0.50000000000000 0.38706287789319 0.75000000000000 87.620 > 2 8 Sr 0.75000000000000 0.38706287789319 0.75000000000000 87.620 > 2 9 Sr 0.00000000000000 0.61293712210681 0.25000000000000 87.620 > 1 10 Sr 0.25000000000000 0.61293712210681 0.25000000000000 87.620 > 1 11 Sr 0.50000000000000 0.61293712210681 0.25000000000000 87.620 > 1 12 Sr 0.75000000000000 0.61293712210681 0.25000000000000 87.620 > 1 13 Sr 0.12500000000000 0.88706287789319 0.75000000000000 87.620 > 2 14 Sr 0.37500000000000 0.88706287789319 0.75000000000000 87.620 > 2 15 Sr 0.62500000000000 0.88706287789319 0.75000000000000 87.620 > 2 16 Sr 0.87500000000000 0.88706287789319 0.75000000000000 87.620 > 2 *17 Lu 0.00000000000000 0.13347528780012 0.92840234351153 174.967 > 3 18 Lu 0.25000000000000 0.13347528780012 0.92840234351153 174.967 > 3 19 Lu 0.50000000000000 0.13347528780012 0.92840234351153 174.967 > 3 20 Lu 0.75000000000000 0.13347528780012 0.92840234351153 174.967 > 3 21 Lu 0.00000000000000 0.13347528780012 0.57159765648847 174.967 > 4 22 Lu 0.25000000000000 0.13347528780012 0.57159765648847 174.967 > 4 23 Lu 0.50000000000000 0.13347528780012 0.57159765648847 174.967 > 4 24 Lu 0.75000000000000 0.13347528780012 0.57159765648847 174.967 > 4 25 Lu 0.12500000000000 0.36652471219988 0.07159765648847 174.967 > 5 26 Lu 0.37500000000000 0.36652471219988 0.07159765648847 174.967 > 5 27 Lu 0.62500000000000 0.36652471219988 0.07159765648847 174.967 > 5 28 Lu 0.87500000000000 0.36652471219988 0.07159765648847 174.967 > 5 29 Lu 0.12500000000000 0.36652471219988 0.42840234351153 174.967 > 6 30 Lu 0.37500000000000 0.36652471219988 0.42840234351153 174.967 > 6 31 Lu 0.62500000000000 0.36652471219988 0.42840234351153 174.967 > 6 32 Lu 0.87500000000000 0.36652471219988 0.42840234351153 174.967 > 6 33 Lu 0.12500000000000 0.63347528780012 0.92840234351153 174.967 > 3 34 Lu 0.37500000000000 0.63347528780012 0.92840234351153 174.967 > 3 35 Lu 0.62500000000000 0.63347528780012 0.92840234351153 174.967 > 3 36 Lu 0.87500000000000 0.63347528780012 0.92840234351153 174.967 > 3 37 Lu 0.12500000000000 0.63347528780012 0.57159765648847 174.967 > 4 38 Lu 0.37500000000000 0.63347528780012 0.57159765648847 174.967 > 4 39 Lu 0.62500000000000 0.63347528780012 0.57159765648847 174.967 > 4 40 Lu 0.87500000000000 0.63347528780012 0.57159765648847 174.967 > 4 41 Lu 0.00000000000000 0.86652471219988 0.07159765648847 174.967 > 5 42 Lu 0.25000000000000 0.86652471219988 0.07159765648847 174.967 > 5 43 Lu 0.50000000000000 0.86652471219988 0.07159765648847 174.967 > 5 44 Lu 0.75000000000000 0.86652471219988 0.07159765648847 174.967 > 5 45 Lu 0.00000000000000 0.86652471219988 0.42840234351153 174.967 > 6 46 Lu 0.25000000000000 0.86652471219988 0.42840234351153 174.967 > 6 47 Lu 0.50000000000000 0.86652471219988 0.42840234351153 174.967 > 6 48 Lu 0.75000000000000 0.86652471219988 0.42840234351153 174.967 > 6 *49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 7 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 7 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 7 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 7 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 8 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 8 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 8 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 8 *57 O 0.00000000000000 0.05236777325837 0.75000000000000 15.999 > 9 58 O 0.25000000000000 0.05236777325837 0.75000000000000 15.999 > 9 59 O 0.50000000000000 0.05236777325837 0.75000000000000 15.999 > 9 60 O 0.75000000000000 0.05236777325837 0.75000000000000 15.999 > 9 *61 O 0.00000000000000 0.23679109650219 0.10693211912729 15.999 > 10 62 O 0.25000000000000 0.23679109650219 0.10693211912729 15.999 > 10 63 O 0.50000000000000 0.23679109650219 0.10693211912729 15.999 > 10 64 O 0.75000000000000 0.23679109650219 0.10693211912729 15.999 > 10 65 O 0.00000000000000 0.23679109650219 0.39306788087271 15.999 > 11 66 O 0.25000000000000 0.23679109650219 0.39306788087271 15.999 > 11 67 O 0.50000000000000 0.23679109650219 0.39306788087271 15.999 > 11 68 O 0.75000000000000 0.23679109650219 0.39306788087271 15.999 > 11 69 O 0.12500000000000 0.26320890349781 0.60693211912729 15.999 > 12 70 O 0.37500000000000 0.26320890349781 0.60693211912729 15.999 > 12 71 O 0.62500000000000 0.26320890349781 0.60693211912729 15.999 > 12 72 O 0.87500000000000 0.26320890349781 0.60693211912729 15.999 > 12 73 O 0.12500000000000 0.26320890349781 0.89306788087271 15.999 > 13 74 O 0.37500000000000 0.26320890349781 0.89306788087271 15.999 > 13 75 O 0.62500000000000 0.26320890349781 0.89306788087271 15.999 > 13 76 O 0.87500000000000 0.26320890349781 0.89306788087271 15.999 > 13 77 O 0.12500000000000 0.44763222674163 0.25000000000000 15.999 > 14 78 O 0.37500000000000 0.44763222674163 0.25000000000000 15.999 > 14 79 O 0.62500000000000 0.44763222674163 0.25000000000000 15.999 > 14 80 O 0.87500000000000 0.44763222674163 0.25000000000000 15.999 > 14 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 7 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 7 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 7 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 8 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 8 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 8 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 8 89 O 0.12500000000000 0.55236777325837 0.75000000000000 15.999 > 9 90 O 0.37500000000000 0.55236777325837 0.75000000000000 15.999 > 9 91 O 0.62500000000000 0.55236777325837 0.75000000000000 15.999 > 9 92 O 0.87500000000000 0.55236777325837 0.75000000000000 15.999 > 9 93 O 0.12500000000000 0.73679109650219 0.10693211912729 15.999 > 10 94 O 0.37500000000000 0.73679109650219 0.10693211912729 15.999 > 10 95 O 0.62500000000000 0.73679109650219 0.10693211912729 15.999 > 10 96 O 0.87500000000000 0.73679109650219 0.10693211912729 15.999 > 10 97 O 0.12500000000000 0.73679109650219 0.39306788087271 15.999 > 11 98 O 0.37500000000000 0.73679109650219 0.39306788087271 15.999 > 11 99 O 0.62500000000000 0.73679109650219 0.39306788087271 15.999 > 11 100 O 0.87500000000000 0.73679109650219 0.39306788087271 15.999 > 11 101 O 0.00000000000000 0.76320890349781 0.60693211912729 15.999 > 12 102 O 0.25000000000000 0.76320890349781 0.60693211912729 15.999 > 12 103 O 0.50000000000000 0.76320890349781 0.60693211912729 15.999 > 12 104 O 0.75000000000000 0.76320890349781 0.60693211912729 15.999 > 12 105 O 0.00000000000000 0.76320890349781 0.89306788087271 15.999 > 13 106 O 0.25000000000000 0.76320890349781 0.89306788087271 15.999 > 13 107 O 0.50000000000000 0.76320890349781 0.89306788087271 15.999 > 13 108 O 0.75000000000000 0.76320890349781 0.89306788087271 15.999 > 13 109 O 0.00000000000000 0.94763222674163 0.25000000000000 15.999 > 14 110 O 0.25000000000000 0.94763222674163 0.25000000000000 15.999 > 14 111 O 0.50000000000000 0.94763222674163 0.25000000000000 15.999 > 14 112 O 0.75000000000000 0.94763222674163 0.25000000000000 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2729506 0.0000000 0.0000000 0.0000000 4.1477883 0.0000000 0.0000000 0.0000000 3.9228972 -------------------------- Born effective charges -------------------------- 1 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 2 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 3 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 4 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 5 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 6 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 7 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 0.5279793 0.0000000 0.4512673 -1.8744490 8 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 -0.5279793 0.0000000 -0.4512673 -1.8744490 9 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 10 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 11 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 12 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 13 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 14 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1028 Number of blocks in projector: 1028 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.086 Solver_block: 200 / 240 - Time: 1.068 Solver_block: 240 / 240 - Time: 0.496 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.675 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1028 Number of blocks in projector: 1028 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), 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 23:58:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:58:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.632235745000000 -5.396333885000001 0.000000000000000 b 1.632235745000000 5.396333885000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): 1 Sr 0.38706287789319 0.61293712210681 0.25000000000000 87.620 2 Sr 0.61293712210681 0.38706287789319 0.75000000000000 87.620 3 Lu 0.86652471219988 0.13347528780012 0.92840234351153 174.967 4 Lu 0.86652471219988 0.13347528780012 0.57159765648847 174.967 5 Lu 0.13347528780012 0.86652471219988 0.07159765648847 174.967 6 Lu 0.13347528780012 0.86652471219988 0.42840234351153 174.967 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 9 O 0.94763222674163 0.05236777325837 0.75000000000000 15.999 10 O 0.76320890349781 0.23679109650219 0.10693211912729 15.999 11 O 0.76320890349781 0.23679109650219 0.39306788087271 15.999 12 O 0.23679109650219 0.76320890349781 0.60693211912729 15.999 13 O 0.23679109650219 0.76320890349781 0.89306788087271 15.999 14 O 0.05236777325837 0.94763222674163 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.057885960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.792667770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): 1 Sr 0.12500000000000 0.11293712210681 0.25000000000000 87.620 > 1 2 Sr 0.37500000000000 0.11293712210681 0.25000000000000 87.620 > 1 3 Sr 0.62500000000000 0.11293712210681 0.25000000000000 87.620 > 1 4 Sr 0.87500000000000 0.11293712210681 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.38706287789319 0.75000000000000 87.620 > 5 6 Sr 0.25000000000000 0.38706287789319 0.75000000000000 87.620 > 5 7 Sr 0.50000000000000 0.38706287789319 0.75000000000000 87.620 > 5 8 Sr 0.75000000000000 0.38706287789319 0.75000000000000 87.620 > 5 9 Sr 0.00000000000000 0.61293712210681 0.25000000000000 87.620 > 1 10 Sr 0.25000000000000 0.61293712210681 0.25000000000000 87.620 > 1 11 Sr 0.50000000000000 0.61293712210681 0.25000000000000 87.620 > 1 12 Sr 0.75000000000000 0.61293712210681 0.25000000000000 87.620 > 1 13 Sr 0.12500000000000 0.88706287789319 0.75000000000000 87.620 > 5 14 Sr 0.37500000000000 0.88706287789319 0.75000000000000 87.620 > 5 15 Sr 0.62500000000000 0.88706287789319 0.75000000000000 87.620 > 5 16 Sr 0.87500000000000 0.88706287789319 0.75000000000000 87.620 > 5 17 Lu 0.00000000000000 0.13347528780012 0.92840234351153 174.967 > 17 18 Lu 0.25000000000000 0.13347528780012 0.92840234351153 174.967 > 17 19 Lu 0.50000000000000 0.13347528780012 0.92840234351153 174.967 > 17 20 Lu 0.75000000000000 0.13347528780012 0.92840234351153 174.967 > 17 21 Lu 0.00000000000000 0.13347528780012 0.57159765648847 174.967 > 21 22 Lu 0.25000000000000 0.13347528780012 0.57159765648847 174.967 > 21 23 Lu 0.50000000000000 0.13347528780012 0.57159765648847 174.967 > 21 24 Lu 0.75000000000000 0.13347528780012 0.57159765648847 174.967 > 21 25 Lu 0.12500000000000 0.36652471219988 0.07159765648847 174.967 > 25 26 Lu 0.37500000000000 0.36652471219988 0.07159765648847 174.967 > 25 27 Lu 0.62500000000000 0.36652471219988 0.07159765648847 174.967 > 25 28 Lu 0.87500000000000 0.36652471219988 0.07159765648847 174.967 > 25 29 Lu 0.12500000000000 0.36652471219988 0.42840234351153 174.967 > 29 30 Lu 0.37500000000000 0.36652471219988 0.42840234351153 174.967 > 29 31 Lu 0.62500000000000 0.36652471219988 0.42840234351153 174.967 > 29 32 Lu 0.87500000000000 0.36652471219988 0.42840234351153 174.967 > 29 33 Lu 0.12500000000000 0.63347528780012 0.92840234351153 174.967 > 17 34 Lu 0.37500000000000 0.63347528780012 0.92840234351153 174.967 > 17 35 Lu 0.62500000000000 0.63347528780012 0.92840234351153 174.967 > 17 36 Lu 0.87500000000000 0.63347528780012 0.92840234351153 174.967 > 17 37 Lu 0.12500000000000 0.63347528780012 0.57159765648847 174.967 > 21 38 Lu 0.37500000000000 0.63347528780012 0.57159765648847 174.967 > 21 39 Lu 0.62500000000000 0.63347528780012 0.57159765648847 174.967 > 21 40 Lu 0.87500000000000 0.63347528780012 0.57159765648847 174.967 > 21 41 Lu 0.00000000000000 0.86652471219988 0.07159765648847 174.967 > 25 42 Lu 0.25000000000000 0.86652471219988 0.07159765648847 174.967 > 25 43 Lu 0.50000000000000 0.86652471219988 0.07159765648847 174.967 > 25 44 Lu 0.75000000000000 0.86652471219988 0.07159765648847 174.967 > 25 45 Lu 0.00000000000000 0.86652471219988 0.42840234351153 174.967 > 29 46 Lu 0.25000000000000 0.86652471219988 0.42840234351153 174.967 > 29 47 Lu 0.50000000000000 0.86652471219988 0.42840234351153 174.967 > 29 48 Lu 0.75000000000000 0.86652471219988 0.42840234351153 174.967 > 29 49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.05236777325837 0.75000000000000 15.999 > 57 58 O 0.25000000000000 0.05236777325837 0.75000000000000 15.999 > 57 59 O 0.50000000000000 0.05236777325837 0.75000000000000 15.999 > 57 60 O 0.75000000000000 0.05236777325837 0.75000000000000 15.999 > 57 61 O 0.00000000000000 0.23679109650219 0.10693211912729 15.999 > 61 62 O 0.25000000000000 0.23679109650219 0.10693211912729 15.999 > 61 63 O 0.50000000000000 0.23679109650219 0.10693211912729 15.999 > 61 64 O 0.75000000000000 0.23679109650219 0.10693211912729 15.999 > 61 65 O 0.00000000000000 0.23679109650219 0.39306788087271 15.999 > 65 66 O 0.25000000000000 0.23679109650219 0.39306788087271 15.999 > 65 67 O 0.50000000000000 0.23679109650219 0.39306788087271 15.999 > 65 68 O 0.75000000000000 0.23679109650219 0.39306788087271 15.999 > 65 69 O 0.12500000000000 0.26320890349781 0.60693211912729 15.999 > 69 70 O 0.37500000000000 0.26320890349781 0.60693211912729 15.999 > 69 71 O 0.62500000000000 0.26320890349781 0.60693211912729 15.999 > 69 72 O 0.87500000000000 0.26320890349781 0.60693211912729 15.999 > 69 73 O 0.12500000000000 0.26320890349781 0.89306788087271 15.999 > 73 74 O 0.37500000000000 0.26320890349781 0.89306788087271 15.999 > 73 75 O 0.62500000000000 0.26320890349781 0.89306788087271 15.999 > 73 76 O 0.87500000000000 0.26320890349781 0.89306788087271 15.999 > 73 77 O 0.12500000000000 0.44763222674163 0.25000000000000 15.999 > 77 78 O 0.37500000000000 0.44763222674163 0.25000000000000 15.999 > 77 79 O 0.62500000000000 0.44763222674163 0.25000000000000 15.999 > 77 80 O 0.87500000000000 0.44763222674163 0.25000000000000 15.999 > 77 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.55236777325837 0.75000000000000 15.999 > 57 90 O 0.37500000000000 0.55236777325837 0.75000000000000 15.999 > 57 91 O 0.62500000000000 0.55236777325837 0.75000000000000 15.999 > 57 92 O 0.87500000000000 0.55236777325837 0.75000000000000 15.999 > 57 93 O 0.12500000000000 0.73679109650219 0.10693211912729 15.999 > 61 94 O 0.37500000000000 0.73679109650219 0.10693211912729 15.999 > 61 95 O 0.62500000000000 0.73679109650219 0.10693211912729 15.999 > 61 96 O 0.87500000000000 0.73679109650219 0.10693211912729 15.999 > 61 97 O 0.12500000000000 0.73679109650219 0.39306788087271 15.999 > 65 98 O 0.37500000000000 0.73679109650219 0.39306788087271 15.999 > 65 99 O 0.62500000000000 0.73679109650219 0.39306788087271 15.999 > 65 100 O 0.87500000000000 0.73679109650219 0.39306788087271 15.999 > 65 101 O 0.00000000000000 0.76320890349781 0.60693211912729 15.999 > 69 102 O 0.25000000000000 0.76320890349781 0.60693211912729 15.999 > 69 103 O 0.50000000000000 0.76320890349781 0.60693211912729 15.999 > 69 104 O 0.75000000000000 0.76320890349781 0.60693211912729 15.999 > 69 105 O 0.00000000000000 0.76320890349781 0.89306788087271 15.999 > 73 106 O 0.25000000000000 0.76320890349781 0.89306788087271 15.999 > 73 107 O 0.50000000000000 0.76320890349781 0.89306788087271 15.999 > 73 108 O 0.75000000000000 0.76320890349781 0.89306788087271 15.999 > 73 109 O 0.00000000000000 0.94763222674163 0.25000000000000 15.999 > 77 110 O 0.25000000000000 0.94763222674163 0.25000000000000 15.999 > 77 111 O 0.50000000000000 0.94763222674163 0.25000000000000 15.999 > 77 112 O 0.75000000000000 0.94763222674163 0.25000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2729506 0.0000000 0.0000000 0.0000000 4.1477883 0.0000000 0.0000000 0.0000000 3.9228972 -------------------------- Born effective charges -------------------------- 1 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 2 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 3 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 4 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 5 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 6 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 7 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 0.5279793 0.0000000 0.4512673 -1.8744490 8 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 -0.5279793 0.0000000 -0.4512673 -1.8744490 9 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 10 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 11 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 12 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 13 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 14 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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[ 61, 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 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.632235745000000 -5.396333885000001 0.000000000000000 b 1.632235745000000 5.396333885000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): 1 Sr 0.38706287789319 0.61293712210681 0.25000000000000 87.620 2 Sr 0.61293712210681 0.38706287789319 0.75000000000000 87.620 3 Lu 0.86652471219988 0.13347528780012 0.92840234351153 174.967 4 Lu 0.86652471219988 0.13347528780012 0.57159765648847 174.967 5 Lu 0.13347528780012 0.86652471219988 0.07159765648847 174.967 6 Lu 0.13347528780012 0.86652471219988 0.42840234351153 174.967 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 9 O 0.94763222674163 0.05236777325837 0.75000000000000 15.999 10 O 0.76320890349781 0.23679109650219 0.10693211912729 15.999 11 O 0.76320890349781 0.23679109650219 0.39306788087271 15.999 12 O 0.23679109650219 0.76320890349781 0.60693211912729 15.999 13 O 0.23679109650219 0.76320890349781 0.89306788087271 15.999 14 O 0.05236777325837 0.94763222674163 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.057885960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.792667770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.858351560000001 Atomic positions (fractional): 1 Sr 0.12500000000000 0.11293712210681 0.25000000000000 87.620 > 1 2 Sr 0.37500000000000 0.11293712210681 0.25000000000000 87.620 > 1 3 Sr 0.62500000000000 0.11293712210681 0.25000000000000 87.620 > 1 4 Sr 0.87500000000000 0.11293712210681 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.38706287789319 0.75000000000000 87.620 > 5 6 Sr 0.25000000000000 0.38706287789319 0.75000000000000 87.620 > 5 7 Sr 0.50000000000000 0.38706287789319 0.75000000000000 87.620 > 5 8 Sr 0.75000000000000 0.38706287789319 0.75000000000000 87.620 > 5 9 Sr 0.00000000000000 0.61293712210681 0.25000000000000 87.620 > 1 10 Sr 0.25000000000000 0.61293712210681 0.25000000000000 87.620 > 1 11 Sr 0.50000000000000 0.61293712210681 0.25000000000000 87.620 > 1 12 Sr 0.75000000000000 0.61293712210681 0.25000000000000 87.620 > 1 13 Sr 0.12500000000000 0.88706287789319 0.75000000000000 87.620 > 5 14 Sr 0.37500000000000 0.88706287789319 0.75000000000000 87.620 > 5 15 Sr 0.62500000000000 0.88706287789319 0.75000000000000 87.620 > 5 16 Sr 0.87500000000000 0.88706287789319 0.75000000000000 87.620 > 5 17 Lu 0.00000000000000 0.13347528780012 0.92840234351153 174.967 > 17 18 Lu 0.25000000000000 0.13347528780012 0.92840234351153 174.967 > 17 19 Lu 0.50000000000000 0.13347528780012 0.92840234351153 174.967 > 17 20 Lu 0.75000000000000 0.13347528780012 0.92840234351153 174.967 > 17 21 Lu 0.00000000000000 0.13347528780012 0.57159765648847 174.967 > 21 22 Lu 0.25000000000000 0.13347528780012 0.57159765648847 174.967 > 21 23 Lu 0.50000000000000 0.13347528780012 0.57159765648847 174.967 > 21 24 Lu 0.75000000000000 0.13347528780012 0.57159765648847 174.967 > 21 25 Lu 0.12500000000000 0.36652471219988 0.07159765648847 174.967 > 25 26 Lu 0.37500000000000 0.36652471219988 0.07159765648847 174.967 > 25 27 Lu 0.62500000000000 0.36652471219988 0.07159765648847 174.967 > 25 28 Lu 0.87500000000000 0.36652471219988 0.07159765648847 174.967 > 25 29 Lu 0.12500000000000 0.36652471219988 0.42840234351153 174.967 > 29 30 Lu 0.37500000000000 0.36652471219988 0.42840234351153 174.967 > 29 31 Lu 0.62500000000000 0.36652471219988 0.42840234351153 174.967 > 29 32 Lu 0.87500000000000 0.36652471219988 0.42840234351153 174.967 > 29 33 Lu 0.12500000000000 0.63347528780012 0.92840234351153 174.967 > 17 34 Lu 0.37500000000000 0.63347528780012 0.92840234351153 174.967 > 17 35 Lu 0.62500000000000 0.63347528780012 0.92840234351153 174.967 > 17 36 Lu 0.87500000000000 0.63347528780012 0.92840234351153 174.967 > 17 37 Lu 0.12500000000000 0.63347528780012 0.57159765648847 174.967 > 21 38 Lu 0.37500000000000 0.63347528780012 0.57159765648847 174.967 > 21 39 Lu 0.62500000000000 0.63347528780012 0.57159765648847 174.967 > 21 40 Lu 0.87500000000000 0.63347528780012 0.57159765648847 174.967 > 21 41 Lu 0.00000000000000 0.86652471219988 0.07159765648847 174.967 > 25 42 Lu 0.25000000000000 0.86652471219988 0.07159765648847 174.967 > 25 43 Lu 0.50000000000000 0.86652471219988 0.07159765648847 174.967 > 25 44 Lu 0.75000000000000 0.86652471219988 0.07159765648847 174.967 > 25 45 Lu 0.00000000000000 0.86652471219988 0.42840234351153 174.967 > 29 46 Lu 0.25000000000000 0.86652471219988 0.42840234351153 174.967 > 29 47 Lu 0.50000000000000 0.86652471219988 0.42840234351153 174.967 > 29 48 Lu 0.75000000000000 0.86652471219988 0.42840234351153 174.967 > 29 49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.05236777325837 0.75000000000000 15.999 > 57 58 O 0.25000000000000 0.05236777325837 0.75000000000000 15.999 > 57 59 O 0.50000000000000 0.05236777325837 0.75000000000000 15.999 > 57 60 O 0.75000000000000 0.05236777325837 0.75000000000000 15.999 > 57 61 O 0.00000000000000 0.23679109650219 0.10693211912729 15.999 > 61 62 O 0.25000000000000 0.23679109650219 0.10693211912729 15.999 > 61 63 O 0.50000000000000 0.23679109650219 0.10693211912729 15.999 > 61 64 O 0.75000000000000 0.23679109650219 0.10693211912729 15.999 > 61 65 O 0.00000000000000 0.23679109650219 0.39306788087271 15.999 > 65 66 O 0.25000000000000 0.23679109650219 0.39306788087271 15.999 > 65 67 O 0.50000000000000 0.23679109650219 0.39306788087271 15.999 > 65 68 O 0.75000000000000 0.23679109650219 0.39306788087271 15.999 > 65 69 O 0.12500000000000 0.26320890349781 0.60693211912729 15.999 > 69 70 O 0.37500000000000 0.26320890349781 0.60693211912729 15.999 > 69 71 O 0.62500000000000 0.26320890349781 0.60693211912729 15.999 > 69 72 O 0.87500000000000 0.26320890349781 0.60693211912729 15.999 > 69 73 O 0.12500000000000 0.26320890349781 0.89306788087271 15.999 > 73 74 O 0.37500000000000 0.26320890349781 0.89306788087271 15.999 > 73 75 O 0.62500000000000 0.26320890349781 0.89306788087271 15.999 > 73 76 O 0.87500000000000 0.26320890349781 0.89306788087271 15.999 > 73 77 O 0.12500000000000 0.44763222674163 0.25000000000000 15.999 > 77 78 O 0.37500000000000 0.44763222674163 0.25000000000000 15.999 > 77 79 O 0.62500000000000 0.44763222674163 0.25000000000000 15.999 > 77 80 O 0.87500000000000 0.44763222674163 0.25000000000000 15.999 > 77 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.55236777325837 0.75000000000000 15.999 > 57 90 O 0.37500000000000 0.55236777325837 0.75000000000000 15.999 > 57 91 O 0.62500000000000 0.55236777325837 0.75000000000000 15.999 > 57 92 O 0.87500000000000 0.55236777325837 0.75000000000000 15.999 > 57 93 O 0.12500000000000 0.73679109650219 0.10693211912729 15.999 > 61 94 O 0.37500000000000 0.73679109650219 0.10693211912729 15.999 > 61 95 O 0.62500000000000 0.73679109650219 0.10693211912729 15.999 > 61 96 O 0.87500000000000 0.73679109650219 0.10693211912729 15.999 > 61 97 O 0.12500000000000 0.73679109650219 0.39306788087271 15.999 > 65 98 O 0.37500000000000 0.73679109650219 0.39306788087271 15.999 > 65 99 O 0.62500000000000 0.73679109650219 0.39306788087271 15.999 > 65 100 O 0.87500000000000 0.73679109650219 0.39306788087271 15.999 > 65 101 O 0.00000000000000 0.76320890349781 0.60693211912729 15.999 > 69 102 O 0.25000000000000 0.76320890349781 0.60693211912729 15.999 > 69 103 O 0.50000000000000 0.76320890349781 0.60693211912729 15.999 > 69 104 O 0.75000000000000 0.76320890349781 0.60693211912729 15.999 > 69 105 O 0.00000000000000 0.76320890349781 0.89306788087271 15.999 > 73 106 O 0.25000000000000 0.76320890349781 0.89306788087271 15.999 > 73 107 O 0.50000000000000 0.76320890349781 0.89306788087271 15.999 > 73 108 O 0.75000000000000 0.76320890349781 0.89306788087271 15.999 > 73 109 O 0.00000000000000 0.94763222674163 0.25000000000000 15.999 > 77 110 O 0.25000000000000 0.94763222674163 0.25000000000000 15.999 > 77 111 O 0.50000000000000 0.94763222674163 0.25000000000000 15.999 > 77 112 O 0.75000000000000 0.94763222674163 0.25000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2729506 0.0000000 0.0000000 0.0000000 4.1477883 0.0000000 0.0000000 0.0000000 3.9228972 -------------------------- Born effective charges -------------------------- 1 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 2 Sr 2.5716670 0.0000000 0.0000000 0.0000000 2.7382168 0.0000000 0.0000000 0.0000000 2.3976800 3 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 4 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 5 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 0.3370652 0.0000000 0.3924736 3.4786699 6 Lu 3.9226049 0.0000000 0.0000000 0.0000000 3.6278709 -0.3370652 0.0000000 -0.3924736 3.4786699 7 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 0.5279793 0.0000000 0.4512673 -1.8744490 8 O -3.0182674 0.0000000 0.0000000 0.0000000 -2.6403955 -0.5279793 0.0000000 -0.4512673 -1.8744490 9 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 10 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 11 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 12 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 -0.0168099 0.0000000 0.0175435 -2.1383479 13 O -2.7589849 0.0000000 0.0000000 0.0000000 -2.4825488 0.0168099 0.0000000 -0.0175435 -2.1383479 14 O -1.8806396 0.0000000 0.0000000 0.0000000 -2.3884654 0.0000000 0.0000000 0.0000000 -3.2038751 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) 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 ... [ 16 16 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/219) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 11.570 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.123 ( 0.000 0.000 0.000) 0.000 12.150 ( 0.000 0.000 0.000) 0.000 12.641 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 17.455 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/219) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 22.149 -13.094 0.000) 25.730 0.590 ( 25.776 -17.701 0.000) 31.269 1.162 ( 56.893 -7.953 0.000) 57.446 1.704 ( 29.570 -0.797 0.000) 29.581 1.968 ( 5.342 -2.762 0.000) 6.013 2.637 ( 11.792 -0.195 0.000) 11.794 2.742 ( 15.938 -0.101 0.000) 15.939 3.158 ( 10.274 1.307 0.000) 10.357 3.239 ( 16.405 0.250 0.000) 16.407 3.538 ( 4.773 21.342 0.000) 21.869 3.776 ( -1.762 3.728 0.000) 4.123 3.922 ( 8.723 -21.859 0.000) 23.536 4.174 ( -1.908 8.310 0.000) 8.527 4.531 ( -4.138 -7.875 0.000) 8.896 4.899 ( -2.564 14.963 0.000) 15.181 5.207 ( -4.095 -13.169 0.000) 13.791 5.782 ( -4.017 1.747 0.000) 4.381 6.852 ( -5.516 3.085 0.000) 6.320 7.652 ( 2.730 -3.474 0.000) 4.419 7.997 ( -2.081 1.876 0.000) 2.802 8.374 ( 44.620 -3.614 0.000) 44.767 8.648 ( 6.781 7.497 0.000) 10.109 9.029 ( 13.718 11.628 0.000) 17.983 9.139 ( 10.018 4.410 0.000) 10.946 9.580 ( -5.833 -1.774 0.000) 6.096 10.163 ( 2.451 2.528 0.000) 3.522 10.935 ( -5.474 3.561 0.000) 6.531 11.258 ( 0.525 -3.555 0.000) 3.593 11.396 ( -8.011 1.755 0.000) 8.201 11.761 ( 1.453 -0.234 0.000) 1.472 12.041 ( -10.170 -0.997 0.000) 10.219 12.099 ( -0.290 7.959 0.000) 7.964 12.192 ( 10.585 -1.696 0.000) 10.720 12.653 ( 1.758 1.319 0.000) 2.197 12.737 ( -2.913 -4.408 0.000) 5.283 13.660 ( -4.318 -0.130 0.000) 4.320 14.658 ( -7.629 -1.230 0.000) 7.727 14.786 ( 0.674 -1.205 0.000) 1.380 16.344 ( -5.642 -0.096 0.000) 5.643 16.786 ( -0.122 0.875 0.000) 0.884 17.410 ( -4.926 -1.003 0.000) 5.027 18.568 ( -6.073 1.788 0.000) 6.330 ======================= Grid point 2 (3/219) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 21.975 -11.641 0.000) 24.868 1.184 ( 25.912 -15.149 0.000) 30.015 2.137 ( 9.914 -3.297 0.000) 10.448 2.234 ( 49.483 -5.108 0.000) 49.746 2.350 ( 34.155 -0.469 0.000) 34.158 2.902 ( 14.260 0.019 0.000) 14.260 3.133 ( 23.140 0.298 0.000) 23.141 3.350 ( 13.683 11.635 0.000) 17.960 3.601 ( 14.097 0.091 0.000) 14.097 3.685 ( 23.415 1.794 0.000) 23.484 3.701 ( -2.544 6.302 0.000) 6.796 4.072 ( -1.988 10.680 0.000) 10.863 4.304 ( 20.185 -15.006 0.000) 25.151 4.527 ( -1.955 -12.167 0.000) 12.323 4.733 ( -3.408 19.563 0.000) 19.858 5.188 ( -6.217 -14.149 0.000) 15.455 5.656 ( -7.449 3.015 0.000) 8.036 6.673 ( -10.377 5.291 0.000) 11.648 7.736 ( 3.507 -3.126 0.000) 4.698 7.914 ( -6.267 -1.188 0.000) 6.379 8.799 ( 13.155 6.025 0.000) 14.469 9.257 ( 14.535 7.562 0.000) 16.385 9.342 ( 34.809 4.201 0.000) 35.061 9.395 ( 16.918 -2.977 0.000) 17.178 9.526 ( 13.000 -9.543 0.000) 16.126 10.224 ( 6.268 3.603 0.000) 7.229 10.799 ( -4.060 7.577 0.000) 8.596 11.232 ( -7.400 1.184 0.000) 7.494 11.290 ( 2.657 4.290 0.000) 5.046 11.753 ( -2.395 -0.905 0.000) 2.560 11.824 ( -11.580 -1.944 0.000) 11.742 12.035 ( 0.104 12.936 0.000) 12.936 12.459 ( 15.177 -1.681 0.000) 15.270 12.681 ( -6.879 -7.314 0.000) 10.040 12.698 ( 4.457 3.453 0.000) 5.638 13.542 ( -7.974 -0.837 0.000) 8.018 14.460 ( -14.356 -3.642 0.000) 14.810 14.757 ( -5.882 -2.297 0.000) 6.315 16.183 ( -10.754 0.033 0.000) 10.754 16.773 ( -0.714 1.781 0.000) 1.919 17.284 ( -8.877 -1.892 0.000) 9.077 18.401 ( -9.315 2.994 0.000) 9.785 ======================= Grid point 3 (4/219) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 20.380 -9.902 0.000) 22.659 1.737 ( 22.975 -12.488 0.000) 26.150 2.362 ( 11.599 -1.969 0.000) 11.765 2.892 ( 16.206 11.518 0.000) 19.882 2.921 ( 22.807 -0.688 0.000) 22.818 3.316 ( 29.028 -12.198 0.000) 31.487 3.508 ( 13.363 9.409 0.000) 16.343 3.595 ( 17.782 11.136 0.000) 20.982 3.651 ( 2.503 2.738 0.000) 3.709 3.883 ( 15.656 -4.490 0.000) 16.287 4.040 ( 6.499 4.594 0.000) 7.959 4.164 ( 21.505 2.332 0.000) 21.631 4.616 ( 6.484 14.301 0.000) 15.702 4.616 ( 4.800 -11.942 0.000) 12.870 4.845 ( 26.756 -9.312 0.000) 28.330 5.141 ( -5.283 -11.553 0.000) 12.704 5.471 ( -9.491 3.681 0.000) 10.180 6.404 ( -13.925 5.997 0.000) 15.161 7.782 ( -8.030 -1.714 0.000) 8.211 7.804 ( 1.869 -1.704 0.000) 2.529 9.074 ( 18.146 3.886 0.000) 18.558 9.404 ( 0.155 -1.781 0.000) 1.787 9.480 ( 12.301 5.164 0.000) 13.341 9.774 ( 19.469 -2.726 0.000) 19.659 10.206 ( 24.003 8.901 0.000) 25.600 10.418 ( 16.266 -2.760 0.000) 16.499 10.733 ( 2.343 7.104 0.000) 7.481 11.125 ( -2.547 1.540 0.000) 2.977 11.282 ( 0.028 9.657 0.000) 9.657 11.682 ( -3.428 -2.060 0.000) 3.999 11.716 ( -1.540 -4.175 0.000) 4.450 11.960 ( 0.215 13.347 0.000) 13.349 12.551 ( -11.484 -8.917 0.000) 14.540 12.751 ( 13.503 -1.080 0.000) 13.546 12.775 ( 6.345 8.708 0.000) 10.774 13.397 ( -7.092 -4.602 0.000) 8.455 14.162 ( -18.594 -3.776 0.000) 18.974 14.558 ( -16.910 -3.369 0.000) 17.242 15.963 ( -11.020 1.112 0.000) 11.076 16.725 ( -2.811 3.772 0.000) 4.704 17.104 ( -10.981 -2.862 0.000) 11.348 18.195 ( -9.858 3.761 0.000) 10.551 ======================= Grid point 4 (5/219) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 16.521 -8.107 0.000) 18.403 2.191 ( 17.212 -10.081 0.000) 19.947 2.592 ( 11.726 0.556 0.000) 11.739 3.030 ( 9.761 12.575 0.000) 15.919 3.162 ( 3.348 0.797 0.000) 3.442 3.584 ( 1.886 3.875 0.000) 4.310 3.689 ( 4.837 9.542 0.000) 10.698 3.728 ( 3.186 -7.567 0.000) 8.210 3.850 ( 12.941 8.623 0.000) 15.550 4.223 ( 16.334 4.218 0.000) 16.870 4.285 ( 15.261 -1.889 0.000) 15.377 4.485 ( 25.844 5.291 0.000) 26.380 4.872 ( 13.345 -11.318 0.000) 17.498 4.929 ( 15.431 -8.597 0.000) 17.664 5.052 ( 2.901 -5.025 0.000) 5.802 5.282 ( -5.602 4.560 0.000) 7.224 5.492 ( 29.321 -5.041 0.000) 29.752 6.092 ( -14.580 4.601 0.000) 15.289 7.639 ( -8.094 -2.945 0.000) 8.613 7.829 ( 0.174 -0.903 0.000) 0.919 9.432 ( 21.125 3.816 0.000) 21.467 9.466 ( 4.873 -2.049 0.000) 5.286 9.661 ( 9.920 6.054 0.000) 11.621 10.123 ( 14.337 -3.358 0.000) 14.725 10.465 ( 14.519 12.566 0.000) 19.202 10.616 ( 2.768 2.994 0.000) 4.078 10.822 ( 10.198 4.633 0.000) 11.201 11.093 ( -1.393 -0.201 0.000) 1.408 11.188 ( -1.514 15.593 0.000) 15.666 11.682 ( 1.301 3.596 0.000) 3.824 11.756 ( 0.963 -4.647 0.000) 4.746 11.904 ( 0.658 5.439 0.000) 5.478 12.366 ( -12.444 -10.219 0.000) 16.102 12.739 ( -5.454 9.239 0.000) 10.729 13.018 ( 15.432 1.779 0.000) 15.534 13.396 ( 2.879 -7.792 0.000) 8.307 13.801 ( -20.763 -1.303 0.000) 20.804 14.162 ( -25.935 -5.012 0.000) 26.415 15.770 ( -8.667 0.192 0.000) 8.670 16.624 ( -4.288 6.499 0.000) 7.786 16.910 ( -11.008 -3.943 0.000) 11.692 17.986 ( -9.417 4.349 0.000) 10.372 ======================= Grid point 5 (6/219) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 11.216 -6.763 0.000) 13.097 2.502 ( 9.913 -7.250 0.000) 12.281 2.789 ( 9.621 4.343 0.000) 10.556 3.160 ( -0.504 1.526 0.000) 1.607 3.172 ( 11.778 8.769 0.000) 14.684 3.539 ( -2.099 3.693 0.000) 4.248 3.658 ( -4.517 12.717 0.000) 13.496 3.742 ( 2.225 1.533 0.000) 2.702 3.995 ( 3.490 -7.886 0.000) 8.623 4.479 ( 13.407 9.411 0.000) 16.381 4.524 ( 7.341 2.651 0.000) 7.805 4.899 ( -4.443 -11.215 0.000) 12.064 5.013 ( -2.164 -7.326 0.000) 7.639 5.033 ( 24.516 6.438 0.000) 25.348 5.439 ( 21.342 -0.689 0.000) 21.353 5.455 ( 17.537 -8.057 0.000) 19.300 5.794 ( -4.466 3.043 0.000) 5.404 6.103 ( 24.578 -4.970 0.000) 25.076 7.513 ( -7.196 -4.460 0.000) 8.466 7.830 ( -0.401 -0.796 0.000) 0.892 9.603 ( 8.407 -0.452 0.000) 8.419 9.770 ( 7.746 3.723 0.000) 8.595 9.841 ( 22.075 10.474 0.000) 24.434 10.365 ( 8.859 -6.136 0.000) 10.777 10.473 ( -5.816 9.058 0.000) 10.765 10.747 ( 15.272 11.225 0.000) 18.954 10.931 ( -2.637 12.526 0.000) 12.800 11.093 ( 0.913 -3.663 0.000) 3.775 11.131 ( 9.871 9.244 0.000) 13.523 11.636 ( -1.193 7.548 0.000) 7.642 11.728 ( -4.888 1.424 0.000) 5.091 11.943 ( 3.438 -1.519 0.000) 3.759 12.249 ( -4.863 -10.117 0.000) 11.225 12.518 ( -12.305 3.163 0.000) 12.705 13.304 ( 13.466 0.334 0.000) 13.470 13.363 ( -25.370 2.331 0.000) 25.477 13.515 ( 4.749 -3.633 0.000) 5.980 13.688 ( -25.529 -7.247 0.000) 26.537 15.617 ( -7.870 -0.483 0.000) 7.884 16.508 ( -3.097 7.077 0.000) 7.725 16.737 ( -9.558 -4.536 0.000) 10.580 17.787 ( -8.604 4.393 0.000) 9.660 ======================= Grid point 6 (7/219) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 6.870 -6.024 0.000) 9.138 2.667 ( 4.335 -4.502 0.000) 6.250 2.883 ( 3.431 6.044 0.000) 6.950 3.152 ( 0.615 3.858 0.000) 3.907 3.346 ( 7.980 8.576 0.000) 11.714 3.518 ( 2.049 0.529 0.000) 2.116 3.527 ( 1.064 7.353 0.000) 7.430 3.750 ( -0.997 -1.832 0.000) 2.086 4.076 ( 0.264 -6.788 0.000) 6.793 4.491 ( -6.706 2.521 0.000) 7.164 4.577 ( 3.585 12.782 0.000) 13.276 4.828 ( -7.083 -8.852 0.000) 11.337 5.107 ( 7.447 -3.186 0.000) 8.100 5.384 ( 11.297 9.249 0.000) 14.600 5.596 ( 3.755 -10.387 0.000) 11.045 5.856 ( 19.048 -2.655 0.000) 19.232 5.986 ( 16.977 -1.717 0.000) 17.063 6.572 ( 20.085 -3.811 0.000) 20.444 7.417 ( -5.669 -5.135 0.000) 7.650 7.826 ( -0.479 -0.571 0.000) 0.746 9.776 ( 9.682 2.947 0.000) 10.121 9.814 ( 2.066 10.149 0.000) 10.357 10.227 ( 22.296 10.391 0.000) 24.599 10.298 ( -6.372 3.869 0.000) 7.455 10.555 ( 5.530 -8.776 0.000) 10.373 10.701 ( -8.169 8.739 0.000) 11.963 10.938 ( 9.288 11.624 0.000) 14.879 11.164 ( 4.065 -3.213 0.000) 5.181 11.308 ( 8.529 3.832 0.000) 9.350 11.599 ( 1.349 6.840 0.000) 6.971 11.611 ( -2.840 5.551 0.000) 6.235 12.038 ( 6.629 -1.437 0.000) 6.783 12.259 ( -14.086 -1.996 0.000) 14.227 12.289 ( 2.464 -7.237 0.000) 7.645 12.816 ( -28.982 2.183 0.000) 29.064 13.289 ( -20.574 -5.655 0.000) 21.337 13.457 ( 1.573 -1.325 0.000) 2.057 13.639 ( 7.624 0.179 0.000) 7.626 15.462 ( -8.083 0.868 0.000) 8.130 16.442 ( -0.228 4.329 0.000) 4.335 16.600 ( -7.252 -3.918 0.000) 8.242 17.614 ( -6.780 3.397 0.000) 7.584 ======================= Grid point 7 (8/219) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 3.783 -4.633 0.000) 5.982 2.740 ( 1.563 -2.553 0.000) 2.994 2.881 ( 0.165 3.956 0.000) 3.960 3.122 ( -0.700 4.612 0.000) 4.665 3.309 ( -1.343 8.693 0.000) 8.796 3.597 ( 4.642 -0.627 0.000) 4.685 3.686 ( 11.725 -2.203 0.000) 11.930 3.740 ( -0.923 -2.030 0.000) 2.229 4.065 ( -4.368 -1.068 0.000) 4.497 4.335 ( -7.015 0.933 0.000) 7.077 4.521 ( -0.891 9.537 0.000) 9.579 4.740 ( -5.867 -6.238 0.000) 8.564 5.253 ( 5.555 -0.918 0.000) 5.630 5.449 ( 2.211 0.941 0.000) 2.403 5.788 ( 7.970 -1.869 0.000) 8.186 6.159 ( 10.593 -1.787 0.000) 10.743 6.258 ( 9.480 -1.669 0.000) 9.626 6.893 ( 11.418 -1.803 0.000) 11.559 7.354 ( -3.649 -3.864 0.000) 5.315 7.819 ( -0.372 -0.186 0.000) 0.416 9.746 ( -2.181 8.971 0.000) 9.233 9.884 ( 3.396 6.437 0.000) 7.278 10.262 ( 3.208 -4.328 0.000) 5.388 10.407 ( -1.347 5.487 0.000) 5.650 10.630 ( 13.066 8.028 0.000) 15.335 10.784 ( 6.430 -11.081 0.000) 12.811 10.898 ( -6.321 6.356 0.000) 8.964 11.299 ( 9.181 2.436 0.000) 9.498 11.394 ( 2.777 1.946 0.000) 3.391 11.602 ( 3.189 2.947 0.000) 4.342 11.602 ( 3.445 4.137 0.000) 5.384 12.016 ( -12.375 -3.887 0.000) 12.971 12.159 ( -7.619 0.984 0.000) 7.683 12.335 ( -7.968 -0.356 0.000) 7.975 12.394 ( 5.993 -1.928 0.000) 6.295 12.946 ( -18.221 -3.396 0.000) 18.535 13.440 ( -2.171 -0.099 0.000) 2.173 13.762 ( 4.547 0.027 0.000) 4.547 15.317 ( -5.608 1.517 0.000) 5.810 16.437 ( 0.934 1.393 0.000) 1.677 16.508 ( -4.047 -2.176 0.000) 4.595 17.497 ( -3.715 1.700 0.000) 4.086 ======================= Grid point 8 (9/219) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 -0.000 0.000) 0.000 2.762 ( 0.000 -0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 -0.000 0.000) 0.000 3.268 ( 0.000 -0.000 0.000) 0.000 3.651 ( 0.000 -0.000 0.000) 0.000 3.739 ( 0.000 -0.000 0.000) 0.000 3.913 ( -0.001 0.000 0.000) 0.001 3.921 ( 0.001 -0.000 0.000) 0.001 4.257 ( 0.000 -0.000 0.000) 0.000 4.480 ( 0.000 -0.000 0.000) 0.000 4.700 ( 0.000 -0.000 0.000) 0.000 5.311 ( 0.000 -0.000 0.000) 0.000 5.470 ( -0.000 -0.000 0.000) 0.000 5.872 ( 0.000 -0.000 0.000) 0.000 6.267 ( 0.000 -0.000 0.000) 0.000 6.355 ( 0.000 -0.000 0.000) 0.000 7.013 ( 0.000 -0.000 0.000) 0.000 7.328 ( 0.000 -0.000 0.000) 0.000 7.816 ( 0.000 -0.000 0.000) 0.000 9.688 ( 0.000 -0.000 0.000) 0.000 9.883 ( 0.000 -0.000 0.000) 0.000 10.353 ( 0.000 -0.000 0.000) 0.000 10.366 ( 0.000 -0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 -0.000 0.000) 0.000 10.896 ( -0.000 -0.000 0.000) 0.000 11.408 ( 0.000 -0.000 0.000) 0.000 11.411 ( 0.000 -0.000 0.000) 0.000 11.626 ( 0.000 -0.000 0.000) 0.000 11.726 ( -0.000 0.000 0.000) 0.000 11.843 ( 0.000 -0.000 0.000) 0.000 11.890 ( 0.000 -0.000 0.000) 0.000 12.370 ( -0.000 -0.000 0.000) 0.000 12.584 ( 0.000 -0.000 0.000) 0.000 12.664 ( 0.000 -0.000 0.000) 0.000 13.414 ( 0.000 -0.000 0.000) 0.000 13.805 ( 0.000 -0.000 0.000) 0.000 15.255 ( 0.000 -0.000 0.000) 0.000 16.445 ( 0.000 -0.000 0.000) 0.000 16.475 ( 0.000 -0.000 0.000) 0.000 17.457 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/219) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 24.158 -0.000 0.000) 24.158 1.091 ( 28.965 -0.000 0.000) 28.965 2.117 ( 10.549 -0.000 0.000) 10.549 2.204 ( 52.060 -0.000 0.000) 52.060 2.347 ( 34.350 -0.000 0.000) 34.350 2.902 ( 14.045 -0.000 0.000) 14.045 3.134 ( 23.648 -0.000 0.000) 23.648 3.420 ( 15.986 -0.000 0.000) 15.986 3.602 ( 12.302 -0.000 0.000) 12.302 3.708 ( 16.697 -0.000 0.000) 16.697 3.738 ( -3.135 0.000 0.000) 3.135 4.153 ( -2.932 0.000 0.000) 2.932 4.203 ( 25.282 -0.000 0.000) 25.282 4.437 ( -1.687 0.000 0.000) 1.687 4.892 ( -3.273 0.000 0.000) 3.273 5.060 ( -6.428 0.000 0.000) 6.428 5.675 ( -7.570 0.000 0.000) 7.570 6.704 ( -10.681 0.000 0.000) 10.681 7.718 ( 4.323 -0.000 0.000) 4.323 7.907 ( -6.304 0.000 0.000) 6.304 8.835 ( 11.355 -0.000 0.000) 11.355 9.324 ( 10.439 -0.000 0.000) 10.439 9.361 ( 18.946 -0.000 0.000) 18.946 9.383 ( 55.524 -0.000 0.000) 55.524 9.452 ( -5.772 0.000 0.000) 5.772 10.247 ( 5.810 -0.000 0.000) 5.810 10.845 ( -4.524 0.000 0.000) 4.524 11.238 ( -7.757 0.000 0.000) 7.757 11.314 ( 3.508 -0.000 0.000) 3.508 11.749 ( -2.823 0.000 0.000) 2.823 11.811 ( -11.515 0.000 0.000) 11.515 12.118 ( -0.180 0.000 0.000) 0.180 12.449 ( 15.542 -0.000 0.000) 15.542 12.631 ( -7.053 0.000 0.000) 7.053 12.719 ( 5.024 -0.000 0.000) 5.024 13.537 ( -8.421 0.000 0.000) 8.421 14.438 ( -14.261 0.000 0.000) 14.261 14.744 ( -5.908 0.000 0.000) 5.908 16.184 ( -10.220 0.000 0.000) 10.220 16.783 ( -0.700 0.000 0.000) 0.700 17.273 ( -8.871 0.000 0.000) 8.871 18.418 ( -9.475 0.000 0.000) 9.475 ======================= Grid point 19 (11/219) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 22.369 -3.606 0.000) 22.658 1.636 ( 25.600 -4.588 0.000) 26.008 2.347 ( 12.678 -0.685 0.000) 12.697 2.916 ( 22.665 -0.238 0.000) 22.666 3.021 ( 24.820 10.388 0.000) 26.906 3.176 ( 19.292 -11.086 0.000) 22.251 3.583 ( 20.696 3.290 0.000) 20.956 3.672 ( -1.915 0.993 0.000) 2.157 3.723 ( 17.870 9.998 0.000) 20.477 3.819 ( 17.010 -6.701 0.000) 18.282 4.095 ( 0.518 3.668 0.000) 3.704 4.177 ( 24.612 0.429 0.000) 24.616 4.501 ( 6.769 -6.368 0.000) 9.293 4.740 ( 18.147 0.008 0.000) 18.147 4.810 ( 9.024 9.753 0.000) 13.287 4.998 ( -1.850 -12.279 0.000) 12.417 5.501 ( -9.686 1.371 0.000) 9.782 6.452 ( -14.742 2.092 0.000) 14.890 7.768 ( -8.174 -0.621 0.000) 8.197 7.791 ( 2.664 -0.576 0.000) 2.726 9.104 ( 17.093 1.231 0.000) 17.137 9.390 ( -0.349 -0.649 0.000) 0.736 9.529 ( 11.581 2.659 0.000) 11.882 9.750 ( 19.905 -1.247 0.000) 19.944 10.273 ( 32.123 2.578 0.000) 32.226 10.401 ( 11.542 -0.257 0.000) 11.545 10.789 ( 0.429 2.488 0.000) 2.525 11.134 ( -2.519 0.258 0.000) 2.532 11.367 ( 2.737 4.234 0.000) 5.042 11.652 ( -4.520 -1.989 0.000) 4.938 11.683 ( -2.752 -1.383 0.000) 3.080 12.093 ( -0.310 7.600 0.000) 7.607 12.459 ( -12.566 -5.588 0.000) 13.752 12.740 ( 13.385 -0.483 0.000) 13.394 12.853 ( 10.012 3.886 0.000) 10.740 13.354 ( -10.217 -2.315 0.000) 10.476 14.132 ( -17.636 -1.373 0.000) 17.689 14.531 ( -17.026 -1.249 0.000) 17.072 15.972 ( -11.125 0.465 0.000) 11.135 16.754 ( -2.201 1.183 0.000) 2.499 17.081 ( -11.069 -0.997 0.000) 11.113 18.224 ( -10.060 1.297 0.000) 10.143 ======================= Grid point 20 (12/219) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 18.129 -4.395 0.000) 18.654 2.100 ( 19.430 -5.437 0.000) 20.176 2.597 ( 13.211 0.354 0.000) 13.215 3.167 ( 4.284 0.186 0.000) 4.288 3.181 ( 8.718 13.197 0.000) 15.816 3.559 ( 6.965 -15.518 0.000) 17.010 3.619 ( -0.906 2.006 0.000) 2.201 3.788 ( 2.475 6.781 0.000) 7.218 4.026 ( 14.330 15.280 0.000) 20.948 4.237 ( 19.573 -1.876 0.000) 19.662 4.270 ( 17.224 -0.772 0.000) 17.242 4.550 ( 21.686 5.539 0.000) 22.383 4.757 ( 13.215 -7.825 0.000) 15.358 4.809 ( -0.320 -10.674 0.000) 10.678 5.026 ( 14.955 -0.338 0.000) 14.959 5.324 ( -5.406 2.522 0.000) 5.965 5.440 ( 30.679 -3.527 0.000) 30.881 6.134 ( -16.306 2.546 0.000) 16.504 7.612 ( -8.568 -1.639 0.000) 8.724 7.821 ( 0.421 -0.411 0.000) 0.588 9.447 ( 5.485 -1.097 0.000) 5.594 9.459 ( 19.966 1.157 0.000) 19.999 9.728 ( 11.565 4.788 0.000) 12.517 10.091 ( 13.784 -2.074 0.000) 13.939 10.584 ( 12.428 7.247 0.000) 14.387 10.636 ( 7.111 0.989 0.000) 7.180 10.864 ( 9.135 2.460 0.000) 9.460 11.096 ( -2.908 0.429 0.000) 2.939 11.354 ( 1.175 12.421 0.000) 12.476 11.673 ( 3.526 -3.927 0.000) 5.277 11.709 ( 2.874 -3.157 0.000) 4.269 11.999 ( -4.994 9.952 0.000) 11.135 12.245 ( -12.709 -10.607 0.000) 16.554 12.825 ( -6.925 4.964 0.000) 8.521 13.063 ( 15.418 6.090 0.000) 16.577 13.297 ( 3.333 -9.082 0.000) 9.674 13.791 ( -18.447 -0.414 0.000) 18.451 14.114 ( -26.921 -2.990 0.000) 27.087 15.772 ( -9.369 0.122 0.000) 9.370 16.681 ( -3.941 3.300 0.000) 5.140 16.875 ( -11.096 -2.115 0.000) 11.296 18.025 ( -9.661 2.277 0.000) 9.926 ======================= Grid point 21 (13/219) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 12.230 -4.388 0.000) 12.994 2.433 ( 12.149 -4.597 0.000) 12.989 2.836 ( 12.075 3.552 0.000) 12.586 3.168 ( -1.594 -0.048 0.000) 1.595 3.281 ( 9.342 10.070 0.000) 13.736 3.577 ( -2.236 2.699 0.000) 3.505 3.680 ( -1.448 -8.328 0.000) 8.453 3.758 ( -1.667 1.193 0.000) 2.050 4.036 ( 1.678 14.196 0.000) 14.295 4.557 ( 14.130 2.950 0.000) 14.434 4.570 ( 10.736 5.337 0.000) 11.990 4.756 ( -4.783 -12.048 0.000) 12.962 4.911 ( -0.790 -9.679 0.000) 9.711 5.102 ( 28.695 4.965 0.000) 29.121 5.378 ( 12.953 -5.082 0.000) 13.914 5.441 ( 18.567 0.646 0.000) 18.578 5.832 ( -5.025 3.283 0.000) 6.002 6.044 ( 24.716 -4.933 0.000) 25.204 7.469 ( -7.565 -3.032 0.000) 8.150 7.823 ( -0.344 -0.515 0.000) 0.619 9.598 ( 9.445 -0.394 0.000) 9.453 9.791 ( 12.514 0.815 0.000) 12.540 9.960 ( 19.094 9.032 0.000) 21.123 10.302 ( 7.104 -4.693 0.000) 8.514 10.553 ( -7.325 4.836 0.000) 8.778 10.870 ( 16.450 9.469 0.000) 18.980 11.046 ( 6.657 6.812 0.000) 9.524 11.058 ( 0.089 -2.283 0.000) 2.284 11.270 ( 0.303 14.346 0.000) 14.349 11.708 ( -2.156 4.656 0.000) 5.131 11.736 ( -1.968 -0.022 0.000) 1.968 11.898 ( 0.702 -6.835 0.000) 6.871 12.145 ( -3.253 -6.950 0.000) 7.674 12.552 ( -16.110 2.595 0.000) 16.318 13.313 ( 11.289 1.143 0.000) 11.346 13.399 ( -23.669 3.881 0.000) 23.985 13.471 ( 8.511 -3.680 0.000) 9.273 13.605 ( -26.095 -6.940 0.000) 27.002 15.613 ( -7.480 -0.253 0.000) 7.484 16.575 ( -4.342 4.464 0.000) 6.227 16.693 ( -9.257 -2.989 0.000) 9.728 17.829 ( -9.180 2.807 0.000) 9.599 ======================= Grid point 22 (14/219) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 7.418 -4.546 0.000) 8.700 2.624 ( 5.967 -2.846 0.000) 6.611 2.956 ( 2.775 6.513 0.000) 7.080 3.183 ( 3.248 0.927 0.000) 3.378 3.421 ( 8.809 5.163 0.000) 10.210 3.528 ( -0.374 1.426 0.000) 1.475 3.613 ( -3.993 5.037 0.000) 6.428 3.725 ( -2.021 -2.439 0.000) 3.168 4.037 ( 2.514 1.816 0.000) 3.101 4.525 ( -8.221 3.160 0.000) 8.808 4.666 ( -2.364 -6.310 0.000) 6.738 4.759 ( 0.890 5.702 0.000) 5.771 5.064 ( 9.986 -3.951 0.000) 10.739 5.399 ( -6.080 -8.395 0.000) 10.365 5.562 ( 20.183 6.084 0.000) 21.080 5.831 ( 19.037 -1.681 0.000) 19.111 5.974 ( 15.869 -0.514 0.000) 15.877 6.523 ( 20.571 -4.433 0.000) 21.043 7.364 ( -5.323 -3.916 0.000) 6.608 7.819 ( -0.277 -0.496 0.000) 0.568 9.801 ( 11.609 1.425 0.000) 11.696 9.919 ( 4.272 7.995 0.000) 9.065 10.331 ( 22.642 7.037 0.000) 23.710 10.341 ( -10.542 3.289 0.000) 11.043 10.450 ( 4.641 -8.218 0.000) 9.438 10.829 ( -14.292 12.286 0.000) 18.847 11.046 ( 3.386 4.979 0.000) 6.021 11.157 ( 10.841 3.690 0.000) 11.452 11.351 ( 7.025 3.598 0.000) 7.893 11.666 ( -2.364 3.671 0.000) 4.367 11.673 ( 0.974 5.949 0.000) 6.028 12.002 ( 6.288 -5.181 0.000) 8.148 12.202 ( 4.120 -7.089 0.000) 8.199 12.231 ( -16.843 -2.686 0.000) 17.056 12.844 ( -29.452 2.608 0.000) 29.567 13.228 ( -18.694 -4.719 0.000) 19.280 13.445 ( 2.587 -0.811 0.000) 2.711 13.640 ( 7.740 -0.009 0.000) 7.740 15.477 ( -6.480 1.532 0.000) 6.659 16.482 ( -2.780 2.669 0.000) 3.854 16.560 ( -6.280 -2.851 0.000) 6.897 17.648 ( -7.849 2.380 0.000) 8.202 ======================= Grid point 23 (15/219) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.537 -4.685 0.000) 6.522 2.714 ( 2.541 -1.798 0.000) 3.113 2.928 ( -1.235 3.961 0.000) 4.149 3.189 ( -0.716 6.617 0.000) 6.656 3.412 ( -4.040 8.253 0.000) 9.188 3.578 ( 4.174 -2.328 0.000) 4.780 3.664 ( 9.209 -1.567 0.000) 9.341 3.712 ( -0.811 -2.840 0.000) 2.954 4.057 ( -1.021 0.621 0.000) 1.195 4.348 ( -7.571 1.162 0.000) 7.659 4.634 ( -8.706 1.419 0.000) 8.820 4.660 ( 0.109 0.498 0.000) 0.510 5.244 ( 6.579 -0.724 0.000) 6.618 5.391 ( -1.012 -9.542 0.000) 9.596 5.826 ( 11.202 6.914 0.000) 13.164 6.138 ( 11.275 -1.732 0.000) 11.407 6.249 ( 11.063 0.037 0.000) 11.064 6.861 ( 11.840 -3.637 0.000) 12.386 7.314 ( -1.885 -2.984 0.000) 3.529 7.817 ( -0.143 -0.152 0.000) 0.208 9.861 ( -4.209 10.673 0.000) 11.473 9.954 ( 2.410 5.707 0.000) 6.195 10.214 ( 1.332 -4.071 0.000) 4.283 10.459 ( -6.170 2.614 0.000) 6.701 10.649 ( 1.783 -8.680 0.000) 8.861 10.728 ( 17.983 6.092 0.000) 18.987 10.960 ( -8.306 4.164 0.000) 9.291 11.340 ( 9.604 4.595 0.000) 10.647 11.417 ( 2.045 2.051 0.000) 2.896 11.634 ( -0.639 2.487 0.000) 2.568 11.649 ( 1.830 3.845 0.000) 4.258 11.961 ( -12.591 -5.375 0.000) 13.690 12.164 ( -3.715 -0.010 0.000) 3.715 12.307 ( -0.864 -4.832 0.000) 4.909 12.388 ( -1.435 1.280 0.000) 1.923 12.908 ( -17.199 -2.923 0.000) 17.445 13.450 ( -0.846 1.572 0.000) 1.785 13.756 ( 3.869 -1.015 0.000) 4.000 15.352 ( -4.463 4.135 0.000) 6.084 16.441 ( -1.203 -0.643 0.000) 1.364 16.487 ( -2.606 -1.432 0.000) 2.973 17.513 ( -4.989 0.976 0.000) 5.083 ======================= Grid point 24 (16/219) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 2.049 -3.223 0.000) 3.819 2.755 ( 1.056 -1.078 0.000) 1.509 2.880 ( -1.875 1.896 0.000) 2.667 3.123 ( -1.897 4.199 0.000) 4.608 3.294 ( -3.811 4.278 0.000) 5.729 3.635 ( -0.867 -2.675 0.000) 2.812 3.733 ( 1.599 -0.966 0.000) 1.868 3.866 ( 8.956 -5.620 0.000) 10.573 3.953 ( -8.741 3.373 0.000) 9.370 4.260 ( -0.320 0.555 0.000) 0.640 4.485 ( -4.732 0.315 0.000) 4.742 4.698 ( 3.681 0.015 0.000) 3.681 5.313 ( 0.557 0.409 0.000) 0.690 5.416 ( -2.393 -8.052 0.000) 8.400 5.917 ( 2.459 6.403 0.000) 6.859 6.265 ( 0.998 -0.454 0.000) 1.096 6.369 ( 1.893 2.436 0.000) 3.085 6.997 ( 0.048 -2.658 0.000) 2.659 7.332 ( 2.964 0.657 0.000) 3.036 7.816 ( 0.103 0.116 0.000) 0.155 9.708 ( -5.234 3.471 0.000) 6.281 9.877 ( -5.086 -0.910 0.000) 5.166 10.354 ( 5.574 0.173 0.000) 5.577 10.368 ( -2.256 -0.051 0.000) 2.257 10.677 ( -6.299 -9.993 0.000) 11.813 10.779 ( -5.378 0.630 0.000) 5.414 10.944 ( 5.721 5.243 0.000) 7.760 11.402 ( -3.770 -0.909 0.000) 3.878 11.417 ( -0.939 0.858 0.000) 1.272 11.628 ( -2.511 0.274 0.000) 2.526 11.725 ( 5.865 -0.119 0.000) 5.866 11.847 ( -7.964 0.609 0.000) 7.987 11.888 ( 3.900 -0.295 0.000) 3.911 12.375 ( 1.639 0.896 0.000) 1.868 12.578 ( -5.596 -0.901 0.000) 5.668 12.654 ( 7.175 -1.724 0.000) 7.379 13.430 ( 0.674 2.531 0.000) 2.620 13.796 ( -0.434 -1.514 0.000) 1.575 15.282 ( 0.242 4.341 0.000) 4.348 16.429 ( -1.470 -2.672 0.000) 3.050 16.479 ( 1.535 0.665 0.000) 1.673 17.452 ( -1.216 -0.717 0.000) 1.412 ======================= Grid point 25 (17/219) ======================= q-point: (-0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -1.905 2.030 0.000) 2.784 2.766 ( -0.085 1.387 0.000) 1.389 2.844 ( -1.860 -2.153 0.000) 2.845 3.089 ( -0.514 -0.894 0.000) 1.031 3.230 ( -2.663 -4.202 0.000) 4.975 3.587 ( -4.956 -2.379 0.000) 5.497 3.715 ( -12.992 2.884 0.000) 13.308 3.761 ( 1.427 1.611 0.000) 2.152 4.052 ( 6.821 -4.442 0.000) 8.140 4.327 ( 6.490 -0.409 0.000) 6.503 4.441 ( -1.731 -3.690 0.000) 4.076 4.794 ( 7.018 3.176 0.000) 7.703 5.264 ( -4.966 0.971 0.000) 5.060 5.383 ( -6.235 -8.666 0.000) 10.676 5.855 ( -4.005 7.873 0.000) 8.833 6.178 ( -9.588 1.519 0.000) 9.707 6.291 ( -8.010 4.110 0.000) 9.002 6.901 ( -10.567 -0.456 0.000) 10.577 7.401 ( 5.255 4.120 0.000) 6.677 7.821 ( 0.516 0.198 0.000) 0.553 9.656 ( -1.426 -6.425 0.000) 6.581 9.807 ( -5.017 -6.707 0.000) 8.375 10.314 ( -4.758 4.672 0.000) 6.668 10.329 ( -7.345 -8.430 0.000) 11.182 10.549 ( -7.401 -5.054 0.000) 8.962 10.817 ( 2.806 -7.416 0.000) 7.929 10.902 ( -5.110 8.792 0.000) 10.169 11.281 ( -6.169 -0.863 0.000) 6.229 11.375 ( -3.785 -1.137 0.000) 3.952 11.556 ( -5.556 -3.670 0.000) 6.659 11.568 ( -7.164 -2.757 0.000) 7.677 12.050 ( 11.808 2.134 0.000) 11.999 12.143 ( 11.002 -1.489 0.000) 11.102 12.333 ( 3.359 -0.501 0.000) 3.397 12.414 ( -2.435 1.295 0.000) 2.758 12.982 ( 19.496 2.566 0.000) 19.664 13.453 ( 2.760 2.026 0.000) 3.423 13.755 ( -4.808 -1.221 0.000) 4.961 15.321 ( 5.839 2.297 0.000) 6.275 16.407 ( -2.670 -3.762 0.000) 4.613 16.537 ( 5.468 2.774 0.000) 6.131 17.474 ( 2.462 -2.363 0.000) 3.413 ======================= Grid point 26 (18/219) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -5.842 6.312 0.000) 8.600 2.725 ( -2.434 5.246 0.000) 5.783 2.818 ( -3.763 -5.139 0.000) 6.370 3.105 ( 0.363 -3.762 0.000) 3.780 3.223 ( -4.963 -11.354 0.000) 12.392 3.474 ( -9.318 -1.969 0.000) 9.524 3.506 ( -3.804 -1.926 0.000) 4.263 3.769 ( 0.113 1.576 0.000) 1.580 4.153 ( 3.232 4.235 0.000) 5.327 4.435 ( -4.071 -10.062 0.000) 10.855 4.469 ( 6.264 -1.396 0.000) 6.418 4.912 ( 7.498 5.487 0.000) 9.291 5.135 ( -6.511 1.774 0.000) 6.749 5.264 ( -13.223 -10.520 0.000) 16.897 5.722 ( -2.147 10.008 0.000) 10.236 5.892 ( -18.396 3.331 0.000) 18.695 6.020 ( -17.417 4.433 0.000) 17.972 6.607 ( -19.325 2.224 0.000) 19.452 7.480 ( 5.973 5.562 0.000) 8.161 7.832 ( 0.724 0.520 0.000) 0.892 9.687 ( -2.062 -11.439 0.000) 11.623 9.730 ( -7.083 -5.022 0.000) 8.682 10.098 ( -20.375 -11.675 0.000) 23.483 10.257 ( 0.663 -2.976 0.000) 3.049 10.583 ( 5.470 -3.844 0.000) 6.686 10.699 ( -8.666 8.264 0.000) 11.975 10.802 ( -10.490 -11.491 0.000) 15.559 11.212 ( -1.925 4.709 0.000) 5.087 11.264 ( -9.896 -3.714 0.000) 10.570 11.516 ( -2.544 -7.372 0.000) 7.799 11.543 ( 3.375 -6.090 0.000) 6.963 12.041 ( -7.520 -0.754 0.000) 7.558 12.274 ( 11.787 0.544 0.000) 11.799 12.363 ( -0.089 5.681 0.000) 5.682 12.794 ( 28.842 -1.699 0.000) 28.892 13.354 ( 21.952 5.325 0.000) 22.589 13.475 ( -1.281 1.725 0.000) 2.149 13.635 ( -6.966 -0.413 0.000) 6.978 15.461 ( 8.947 0.797 0.000) 8.983 16.382 ( -2.272 -5.934 0.000) 6.354 16.649 ( 8.297 4.572 0.000) 9.474 17.571 ( 5.577 -4.124 0.000) 6.936 ======================= Grid point 27 (19/219) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -9.866 8.348 0.000) 12.924 2.598 ( -7.057 9.149 0.000) 11.555 2.739 ( -7.521 -4.221 0.000) 8.625 3.077 ( -13.395 -7.786 0.000) 15.494 3.132 ( 0.267 -3.233 0.000) 3.244 3.478 ( 1.542 -15.811 0.000) 15.886 3.493 ( 0.672 -4.293 0.000) 4.346 3.725 ( -5.510 -1.313 0.000) 5.665 4.129 ( -0.423 12.653 0.000) 12.660 4.350 ( -12.251 -12.270 0.000) 17.339 4.507 ( -4.473 -0.293 0.000) 4.482 4.946 ( -24.563 -5.561 0.000) 25.184 5.019 ( 7.497 6.484 0.000) 9.912 5.070 ( 2.753 2.415 0.000) 3.662 5.464 ( -22.882 3.820 0.000) 23.198 5.556 ( -22.615 8.849 0.000) 24.284 5.767 ( 4.817 -1.292 0.000) 4.988 6.156 ( -24.689 4.030 0.000) 25.015 7.569 ( 6.671 5.156 0.000) 8.431 7.841 ( 0.619 1.015 0.000) 1.189 9.606 ( -6.690 0.030 0.000) 6.691 9.665 ( -9.920 -12.952 0.000) 16.314 9.761 ( -17.141 -4.610 0.000) 17.750 10.349 ( 2.073 -11.938 0.000) 12.116 10.442 ( -10.830 7.164 0.000) 12.985 10.618 ( -13.267 -10.913 0.000) 17.179 10.782 ( 5.946 -12.241 0.000) 13.609 11.044 ( -14.781 -6.330 0.000) 16.080 11.141 ( -1.605 4.482 0.000) 4.761 11.536 ( -0.721 -9.628 0.000) 9.655 11.705 ( 8.312 -2.363 0.000) 8.641 11.945 ( -3.991 -1.003 0.000) 4.115 12.364 ( 5.602 9.402 0.000) 10.944 12.481 ( 8.674 -3.227 0.000) 9.255 13.305 ( -14.270 0.437 0.000) 14.277 13.345 ( 27.016 -0.844 0.000) 27.030 13.553 ( -2.358 2.856 0.000) 3.704 13.770 ( 25.309 6.858 0.000) 26.221 15.625 ( 8.137 0.881 0.000) 8.184 16.414 ( 1.392 -9.062 0.000) 9.168 16.795 ( 9.945 5.529 0.000) 11.379 17.729 ( 7.820 -5.550 0.000) 9.590 ======================= Grid point 28 (20/219) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -14.326 10.702 0.000) 17.882 2.329 ( -14.166 13.559 0.000) 19.610 2.585 ( -9.583 -0.557 0.000) 9.600 2.892 ( -11.083 -11.125 0.000) 15.703 3.146 ( -1.870 -2.227 0.000) 2.908 3.531 ( -8.561 -5.158 0.000) 9.995 3.581 ( -3.768 -8.782 0.000) 9.556 3.587 ( -3.938 -18.316 0.000) 18.734 3.977 ( -8.187 16.780 0.000) 18.671 4.140 ( -14.070 -9.722 0.000) 17.103 4.313 ( -14.125 2.805 0.000) 14.400 4.435 ( -28.448 -3.132 0.000) 28.620 5.003 ( -28.881 5.088 0.000) 29.325 5.004 ( -15.053 10.613 0.000) 18.418 5.134 ( 8.210 7.634 0.000) 11.210 5.224 ( 7.116 -5.002 0.000) 8.698 5.553 ( -27.781 5.464 0.000) 28.314 6.031 ( 11.669 -5.685 0.000) 12.980 7.678 ( 7.371 3.707 0.000) 8.251 7.843 ( 0.288 1.488 0.000) 1.516 9.366 ( -21.011 -7.543 0.000) 22.324 9.493 ( -3.985 2.673 0.000) 4.799 9.600 ( -8.634 -4.356 0.000) 9.671 10.167 ( -15.043 4.258 0.000) 15.634 10.306 ( -14.336 -14.469 0.000) 20.368 10.558 ( -0.180 -7.220 0.000) 7.222 10.759 ( -12.254 -6.119 0.000) 13.697 11.005 ( 3.712 -15.579 0.000) 16.015 11.106 ( -0.628 2.064 0.000) 2.157 11.587 ( -0.769 -11.780 0.000) 11.805 11.811 ( 2.350 4.611 0.000) 5.175 11.875 ( -3.549 -0.530 0.000) 3.588 12.480 ( 11.509 9.397 0.000) 14.858 12.627 ( 2.161 -9.452 0.000) 9.696 13.012 ( -14.210 0.389 0.000) 14.215 13.474 ( -2.523 5.643 0.000) 6.181 13.822 ( 23.405 2.437 0.000) 23.532 14.226 ( 24.977 5.842 0.000) 25.652 15.768 ( 7.735 -0.130 0.000) 7.736 16.532 ( 4.639 -9.321 0.000) 10.411 16.964 ( 10.896 5.292 0.000) 12.113 17.926 ( 9.034 -6.019 0.000) 10.855 ======================= Grid point 29 (21/219) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -17.285 14.119 0.000) 22.318 1.915 ( -19.168 17.615 0.000) 26.033 2.391 ( -9.689 2.981 0.000) 10.137 2.756 ( -12.172 -11.870 0.000) 17.002 2.931 ( -23.124 1.013 0.000) 23.146 3.376 ( -8.563 -12.821 0.000) 15.418 3.379 ( -28.101 -6.591 0.000) 28.864 3.549 ( -22.694 8.653 0.000) 24.288 3.609 ( -3.306 -4.540 0.000) 5.616 3.926 ( -13.614 3.022 0.000) 13.945 4.001 ( -13.221 -2.204 0.000) 13.403 4.103 ( -13.582 -8.967 0.000) 16.275 4.481 ( -19.456 -7.567 0.000) 20.875 4.755 ( -4.041 11.299 0.000) 12.000 4.969 ( -24.363 11.386 0.000) 26.892 5.259 ( 7.328 8.548 0.000) 11.259 5.421 ( 9.207 -4.630 0.000) 10.306 6.316 ( 12.374 -9.044 0.000) 15.327 7.806 ( 7.747 2.413 0.000) 8.114 7.830 ( -0.544 2.697 0.000) 2.751 9.015 ( -19.376 -6.045 0.000) 20.297 9.423 ( -12.412 -4.256 0.000) 13.121 9.429 ( -1.262 2.428 0.000) 2.736 9.810 ( -19.298 3.568 0.000) 19.625 10.081 ( -18.476 -12.051 0.000) 22.059 10.454 ( -14.839 2.721 0.000) 15.087 10.630 ( -5.255 -10.352 0.000) 11.610 11.099 ( 1.436 -2.565 0.000) 2.940 11.153 ( 2.062 -12.451 0.000) 12.620 11.653 ( 2.138 -9.824 0.000) 10.054 11.778 ( 0.068 6.467 0.000) 6.467 11.841 ( -0.795 -4.084 0.000) 4.161 12.652 ( 10.771 8.291 0.000) 13.592 12.660 ( -4.139 -10.278 0.000) 11.080 12.770 ( -11.895 1.777 0.000) 12.027 13.450 ( 3.959 4.154 0.000) 5.738 14.217 ( 20.058 5.420 0.000) 20.777 14.605 ( 16.661 4.578 0.000) 17.279 15.949 ( 11.012 -1.236 0.000) 11.081 16.665 ( 3.754 -6.603 0.000) 7.596 17.146 ( 10.823 4.387 0.000) 11.678 18.139 ( 9.505 -5.851 0.000) 11.161 ======================= Grid point 30 (22/219) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -17.459 18.708 0.000) 25.589 1.412 ( -20.528 22.831 0.000) 30.703 2.190 ( -8.374 5.743 0.000) 10.154 2.312 ( -40.608 7.455 0.000) 41.287 2.358 ( -33.464 0.954 0.000) 33.477 2.898 ( -15.462 -0.920 0.000) 15.490 3.126 ( -21.279 -0.985 0.000) 21.302 3.189 ( -16.375 -13.590 0.000) 21.280 3.596 ( 0.182 -11.293 0.000) 11.294 3.602 ( -18.554 0.401 0.000) 18.559 3.684 ( -25.926 1.103 0.000) 25.949 3.950 ( 0.705 -9.849 0.000) 9.875 4.480 ( -1.179 -16.271 0.000) 16.313 4.509 ( -10.840 11.908 0.000) 16.103 4.673 ( 1.662 12.227 0.000) 12.339 5.339 ( 6.653 11.474 0.000) 13.264 5.609 ( 7.166 -4.950 0.000) 8.709 6.585 ( 9.541 -9.835 0.000) 13.702 7.787 ( -1.441 5.379 0.000) 5.569 7.934 ( 6.344 2.193 0.000) 6.712 8.705 ( -17.207 -9.339 0.000) 19.579 9.180 ( -15.700 -5.392 0.000) 16.600 9.298 ( -27.697 -3.537 0.000) 27.921 9.427 ( -17.758 2.771 0.000) 17.973 9.645 ( -13.695 10.146 0.000) 17.044 10.182 ( -8.427 -2.618 0.000) 8.825 10.678 ( 2.685 -12.909 0.000) 13.185 11.203 ( 6.246 -4.124 0.000) 7.484 11.213 ( -1.321 -8.975 0.000) 9.071 11.774 ( 1.412 2.712 0.000) 3.058 11.798 ( 4.253 -13.913 0.000) 14.549 11.903 ( 6.231 -1.480 0.000) 6.405 12.485 ( -14.159 2.622 0.000) 14.400 12.646 ( -3.095 -5.175 0.000) 6.030 12.773 ( 6.611 8.004 0.000) 10.381 13.553 ( 6.849 0.801 0.000) 6.896 14.517 ( 14.351 5.959 0.000) 15.539 14.796 ( 6.301 4.288 0.000) 7.622 16.184 ( 11.988 0.143 0.000) 11.989 16.740 ( 0.915 -4.029 0.000) 4.131 17.316 ( 8.884 3.533 0.000) 9.560 18.351 ( 8.886 -5.604 0.000) 10.505 ======================= Grid point 31 (23/219) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -14.091 25.600 0.000) 29.222 0.882 ( -19.461 27.712 0.000) 33.863 1.348 ( -45.235 24.285 0.000) 51.342 1.722 ( -28.661 2.219 0.000) 28.746 2.028 ( -4.397 7.414 0.000) 8.620 2.639 ( -12.015 -0.116 0.000) 12.016 2.745 ( -16.028 0.299 0.000) 16.031 3.097 ( -4.937 -12.776 0.000) 13.697 3.237 ( -17.516 -0.137 0.000) 17.516 3.301 ( -14.237 -13.648 0.000) 19.723 3.688 ( 1.335 -11.432 0.000) 11.510 4.046 ( 1.917 -11.697 0.000) 11.853 4.202 ( -4.920 24.425 0.000) 24.916 4.653 ( 2.948 11.387 0.000) 11.762 4.675 ( 2.911 -22.099 0.000) 22.290 5.376 ( 4.966 13.893 0.000) 14.753 5.744 ( 3.904 -4.538 0.000) 5.986 6.783 ( 5.277 -8.685 0.000) 10.163 7.726 ( -0.061 8.738 0.000) 8.738 7.966 ( -6.540 -2.536 0.000) 7.015 8.450 ( -42.402 8.949 0.000) 43.336 8.498 ( -10.130 -14.325 0.000) 17.544 8.892 ( -18.461 -7.114 0.000) 19.784 9.126 ( -12.238 0.509 0.000) 12.249 9.623 ( 5.332 5.764 0.000) 7.852 10.112 ( -2.782 -5.784 0.000) 6.419 10.839 ( 4.634 -12.619 0.000) 13.443 11.274 ( 6.707 -2.595 0.000) 7.191 11.351 ( 5.458 -6.228 0.000) 8.281 11.772 ( -0.381 1.929 0.000) 1.967 11.918 ( -1.357 -19.726 0.000) 19.772 12.083 ( 10.523 4.047 0.000) 11.275 12.226 ( -9.776 3.951 0.000) 10.545 12.626 ( -1.477 -3.152 0.000) 3.481 12.814 ( 2.615 7.640 0.000) 8.075 13.662 ( 4.179 -0.007 0.000) 4.179 14.680 ( 4.855 2.580 0.000) 5.498 14.830 ( 1.629 6.429 0.000) 6.632 16.349 ( 4.026 0.695 0.000) 4.086 16.768 ( 1.069 -2.106 0.000) 2.362 17.432 ( 4.982 2.845 0.000) 5.737 18.527 ( 5.812 -5.078 0.000) 7.718 ======================= Grid point 32 (24/219) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -0.000 29.896 0.000) 29.896 0.398 ( -0.000 34.039 0.000) 34.039 0.599 ( -0.000 51.616 0.000) 51.616 1.393 ( -0.000 2.584 0.000) 2.584 1.947 ( -0.000 6.200 0.000) 6.200 2.510 ( 0.000 -0.586 0.000) 0.586 2.579 ( -0.000 0.029 0.000) 0.029 3.034 ( 0.000 -0.288 0.000) 0.288 3.056 ( -0.000 0.953 0.000) 0.953 3.331 ( 0.000 -29.201 0.000) 29.201 3.759 ( 0.000 -7.924 0.000) 7.924 4.015 ( -0.000 26.476 0.000) 26.476 4.135 ( 0.000 -11.393 0.000) 11.393 4.629 ( -0.000 9.589 0.000) 9.589 4.834 ( 0.000 -19.523 0.000) 19.523 5.379 ( -0.000 12.211 0.000) 12.211 5.805 ( 0.000 -3.402 0.000) 3.402 6.879 ( 0.000 -6.027 0.000) 6.027 7.590 ( -0.000 4.500 0.000) 4.500 7.685 ( -0.000 12.187 0.000) 12.187 7.925 ( -0.000 5.537 0.000) 5.537 8.475 ( 0.000 -0.555 0.000) 0.555 8.609 ( 0.000 -0.199 0.000) 0.199 8.994 ( -0.000 0.434 0.000) 0.434 9.657 ( -0.000 3.401 0.000) 3.401 10.119 ( 0.000 -4.849 0.000) 4.849 10.947 ( 0.000 -9.912 0.000) 9.912 11.456 ( 0.000 -7.572 0.000) 7.572 11.527 ( 0.000 -7.218 0.000) 7.218 11.746 ( -0.000 3.248 0.000) 3.248 11.980 ( 0.000 -16.389 0.000) 16.389 12.102 ( -0.000 3.810 0.000) 3.810 12.173 ( -0.000 3.683 0.000) 3.683 12.628 ( 0.000 -2.242 0.000) 2.242 12.795 ( -0.000 6.500 0.000) 6.500 13.702 ( -0.000 0.075 0.000) 0.075 14.688 ( 0.000 -0.232 0.000) 0.232 14.803 ( -0.000 8.566 0.000) 8.566 16.328 ( -0.000 1.107 0.000) 1.107 16.808 ( 0.000 -0.683 0.000) 0.683 17.467 ( -0.000 2.021 0.000) 2.021 18.612 ( 0.000 -3.741 0.000) 3.741 ======================= Grid point 35 (25/219) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 18.726 -0.000 0.000) 18.726 2.068 ( 20.255 -0.000 0.000) 20.255 2.599 ( 13.743 -0.000 0.000) 13.743 3.168 ( 4.576 -0.000 0.000) 4.576 3.298 ( 8.028 -0.000 0.000) 8.028 3.427 ( 7.834 -0.000 0.000) 7.834 3.630 ( -1.664 0.000 0.000) 1.664 3.830 ( 0.804 -0.000 0.000) 0.804 4.159 ( 16.921 -0.000 0.000) 16.921 4.186 ( 20.685 -0.000 0.000) 20.685 4.266 ( 18.525 -0.000 0.000) 18.525 4.595 ( 22.728 -0.000 0.000) 22.728 4.709 ( 13.283 -0.000 0.000) 13.283 4.729 ( -7.522 0.000 0.000) 7.522 5.027 ( 16.773 -0.000 0.000) 16.773 5.338 ( -5.418 0.000 0.000) 5.418 5.418 ( 31.415 -0.000 0.000) 31.415 6.149 ( -16.874 0.000 0.000) 16.874 7.602 ( -8.733 0.000 0.000) 8.733 7.819 ( 0.494 -0.000 0.000) 0.494 9.441 ( 5.707 -0.000 0.000) 5.707 9.465 ( 19.474 -0.000 0.000) 19.474 9.758 ( 12.161 -0.000 0.000) 12.161 10.078 ( 13.549 -0.000 0.000) 13.549 10.622 ( 5.200 -0.000 0.000) 5.200 10.646 ( 15.115 -0.000 0.000) 15.115 10.878 ( 8.835 -0.000 0.000) 8.835 11.099 ( -3.342 0.000 0.000) 3.342 11.441 ( 2.993 -0.000 0.000) 2.993 11.635 ( 3.404 -0.000 0.000) 3.404 11.690 ( 3.442 -0.000 0.000) 3.442 12.110 ( -0.646 0.000 0.000) 0.646 12.131 ( -19.183 0.000 0.000) 19.183 12.852 ( -6.044 0.000 0.000) 6.044 13.128 ( 16.132 -0.000 0.000) 16.132 13.217 ( 1.405 -0.000 0.000) 1.405 13.789 ( -17.459 0.000 0.000) 17.459 14.097 ( -27.393 0.000 0.000) 27.393 15.772 ( -9.635 0.000 0.000) 9.635 16.700 ( -3.794 0.000 0.000) 3.794 16.862 ( -11.129 0.000 0.000) 11.129 18.038 ( -9.746 0.000 0.000) 9.746 ======================= Grid point 36 (26/219) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 12.786 -1.520 0.000) 12.876 2.397 ( 13.395 -1.577 0.000) 13.488 2.866 ( 14.115 1.445 0.000) 14.188 3.164 ( -3.038 -0.303 0.000) 3.053 3.403 ( 7.203 10.652 0.000) 12.859 3.554 ( 2.205 -11.396 0.000) 11.607 3.599 ( -1.587 1.001 0.000) 1.876 3.768 ( -4.534 0.440 0.000) 4.555 4.224 ( -0.156 14.715 0.000) 14.715 4.500 ( 3.430 -10.786 0.000) 11.319 4.640 ( 16.637 5.630 0.000) 17.564 4.682 ( 6.978 -0.894 0.000) 7.035 4.805 ( -3.810 -7.313 0.000) 8.246 5.141 ( 30.513 1.611 0.000) 30.556 5.340 ( 9.814 -1.480 0.000) 9.925 5.448 ( 16.950 0.380 0.000) 16.954 5.864 ( -7.260 1.926 0.000) 7.511 5.997 ( 26.665 -2.644 0.000) 26.796 7.445 ( -7.751 -1.075 0.000) 7.825 7.819 ( -0.347 -0.179 0.000) 0.390 9.594 ( 9.935 -0.146 0.000) 9.936 9.796 ( 14.030 0.159 0.000) 14.030 10.037 ( 18.815 3.773 0.000) 19.190 10.260 ( 5.641 -2.147 0.000) 6.036 10.589 ( -7.344 1.426 0.000) 7.481 10.951 ( 17.035 4.003 0.000) 17.499 11.040 ( -0.832 -0.919 0.000) 1.240 11.095 ( 10.966 1.948 0.000) 11.137 11.429 ( -3.446 10.517 0.000) 11.067 11.733 ( -0.347 -0.341 0.000) 0.487 11.742 ( 1.317 1.085 0.000) 1.706 11.799 ( -6.684 -7.568 0.000) 10.097 12.097 ( -1.118 -1.747 0.000) 2.074 12.574 ( -18.565 1.043 0.000) 18.594 13.327 ( 7.765 0.959 0.000) 7.824 13.436 ( 13.068 -1.926 0.000) 13.210 13.450 ( -20.316 4.527 0.000) 20.814 13.530 ( -28.782 -5.543 0.000) 29.311 15.611 ( -7.204 -0.082 0.000) 7.204 16.610 ( -4.994 1.521 0.000) 5.220 16.669 ( -9.088 -1.045 0.000) 9.148 17.851 ( -9.486 0.964 0.000) 9.534 ======================= Grid point 37 (27/219) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 7.702 -2.421 0.000) 8.073 2.600 ( 7.167 -1.311 0.000) 7.286 3.031 ( 1.069 6.258 0.000) 6.348 3.170 ( 6.664 -2.872 0.000) 7.256 3.478 ( 5.200 4.845 0.000) 7.107 3.554 ( -1.684 2.761 0.000) 3.235 3.618 ( -0.222 -3.186 0.000) 3.193 3.694 ( -3.347 -2.741 0.000) 4.326 4.130 ( 0.447 12.701 0.000) 12.709 4.520 ( -4.758 -14.825 0.000) 15.570 4.559 ( -10.644 2.451 0.000) 10.922 4.869 ( 8.013 9.192 0.000) 12.194 5.022 ( 13.417 -2.996 0.000) 13.748 5.285 ( -11.005 -9.195 0.000) 14.341 5.641 ( 22.045 5.714 0.000) 22.773 5.817 ( 18.703 -0.765 0.000) 18.719 5.971 ( 14.751 -0.058 0.000) 14.751 6.476 ( 20.809 -3.236 0.000) 21.059 7.329 ( -5.033 -2.110 0.000) 5.458 7.815 ( -0.142 -0.290 0.000) 0.323 9.812 ( 12.635 0.550 0.000) 12.647 9.998 ( 8.142 5.341 0.000) 9.737 10.339 ( 4.846 -5.111 0.000) 7.044 10.371 ( -12.817 1.802 0.000) 12.943 10.421 ( 18.673 2.950 0.000) 18.905 10.961 ( -18.554 9.234 0.000) 20.724 11.059 ( 0.999 -0.541 0.000) 1.136 11.232 ( 13.995 6.580 0.000) 15.465 11.390 ( 5.145 2.978 0.000) 5.945 11.694 ( -1.904 1.309 0.000) 2.310 11.738 ( 1.331 5.373 0.000) 5.536 11.917 ( 7.591 -8.913 0.000) 11.708 12.140 ( 4.582 -3.418 0.000) 5.716 12.203 ( -19.443 -1.931 0.000) 19.538 12.873 ( -30.227 2.030 0.000) 30.295 13.183 ( -16.632 -2.831 0.000) 16.871 13.438 ( 3.677 -0.351 0.000) 3.694 13.639 ( 7.588 -0.068 0.000) 7.588 15.494 ( -4.947 1.116 0.000) 5.071 16.505 ( -4.736 1.223 0.000) 4.892 16.535 ( -5.584 -1.500 0.000) 5.782 17.669 ( -8.591 1.218 0.000) 8.677 ======================= Grid point 38 (28/219) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 4.774 -3.256 0.000) 5.778 2.700 ( 3.026 -0.758 0.000) 3.120 2.969 ( -2.819 2.976 0.000) 4.099 3.265 ( 1.229 6.070 0.000) 6.193 3.484 ( -3.382 3.848 0.000) 5.123 3.551 ( 2.553 -1.787 0.000) 3.117 3.652 ( 5.060 -0.315 0.000) 5.070 3.674 ( -0.724 -3.686 0.000) 3.756 4.096 ( 0.405 6.438 0.000) 6.450 4.361 ( -8.073 0.949 0.000) 8.129 4.521 ( -3.913 -12.008 0.000) 12.630 4.780 ( -6.256 11.149 0.000) 12.784 5.237 ( 7.719 -0.449 0.000) 7.732 5.263 ( 0.138 -11.504 0.000) 11.505 5.910 ( 10.470 6.603 0.000) 12.378 6.120 ( 11.618 -1.272 0.000) 11.688 6.257 ( 13.128 1.186 0.000) 13.181 6.815 ( 11.816 -4.030 0.000) 12.484 7.286 ( -0.329 -1.810 0.000) 1.839 7.816 ( 0.092 -0.100 0.000) 0.136 9.991 ( -4.455 11.740 0.000) 12.557 10.016 ( 2.661 4.905 0.000) 5.580 10.167 ( -1.056 -3.923 0.000) 4.063 10.416 ( -2.975 -9.993 0.000) 10.427 10.613 ( -6.002 2.664 0.000) 6.567 10.787 ( 16.399 3.606 0.000) 16.790 10.995 ( -7.999 1.984 0.000) 8.241 11.400 ( 6.909 5.311 0.000) 8.715 11.440 ( 1.402 1.684 0.000) 2.191 11.657 ( -4.041 1.425 0.000) 4.285 11.689 ( 1.599 3.093 0.000) 3.482 11.895 ( -12.864 -5.759 0.000) 14.094 12.161 ( -0.863 -0.291 0.000) 0.910 12.241 ( 7.619 -5.722 0.000) 9.528 12.411 ( -8.258 2.088 0.000) 8.518 12.881 ( -16.484 -1.847 0.000) 16.588 13.473 ( 0.879 2.187 0.000) 2.357 13.740 ( 2.854 -1.485 0.000) 3.217 15.403 ( -2.797 4.304 0.000) 5.133 16.427 ( -3.368 -1.502 0.000) 3.688 16.474 ( -1.399 -0.760 0.000) 1.592 17.521 ( -6.058 0.427 0.000) 6.073 ======================= Grid point 39 (29/219) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 2.952 -3.570 0.000) 4.633 2.741 ( 1.061 -1.236 0.000) 1.629 2.901 ( -3.002 1.553 0.000) 3.380 3.191 ( -3.015 7.343 0.000) 7.938 3.360 ( -5.229 6.776 0.000) 8.559 3.589 ( -2.209 -5.102 0.000) 5.560 3.720 ( 3.422 -1.279 0.000) 3.653 3.788 ( 6.008 -7.499 0.000) 9.609 4.001 ( -7.989 4.971 0.000) 9.410 4.268 ( -0.552 0.754 0.000) 0.935 4.470 ( -4.612 -3.331 0.000) 5.689 4.711 ( 3.616 2.438 0.000) 4.361 5.313 ( -2.053 -8.905 0.000) 9.139 5.319 ( 0.996 0.582 0.000) 1.153 5.991 ( 2.169 5.743 0.000) 6.139 6.258 ( 1.857 -0.648 0.000) 1.967 6.410 ( 4.093 4.597 0.000) 6.155 6.955 ( 0.215 -4.287 0.000) 4.292 7.341 ( 5.279 0.832 0.000) 5.344 7.818 ( 0.198 0.164 0.000) 0.257 9.766 ( -10.187 6.324 0.000) 11.991 9.864 ( -9.241 -1.266 0.000) 9.328 10.348 ( -6.065 -4.475 0.000) 7.537 10.357 ( 9.972 0.232 0.000) 9.974 10.574 ( -4.103 -6.188 0.000) 7.425 10.788 ( -9.823 0.903 0.000) 9.865 10.989 ( 4.776 2.338 0.000) 5.318 11.389 ( -6.743 -1.267 0.000) 6.861 11.429 ( -1.457 1.173 0.000) 1.870 11.632 ( -4.635 0.387 0.000) 4.651 11.723 ( 10.391 -0.150 0.000) 10.393 11.856 ( -13.664 0.961 0.000) 13.697 11.884 ( 7.074 -0.437 0.000) 7.087 12.390 ( 2.830 1.650 0.000) 3.276 12.565 ( -9.775 -1.306 0.000) 9.862 12.627 ( 12.614 -2.686 0.000) 12.896 13.469 ( 1.292 4.115 0.000) 4.313 13.771 ( -0.891 -2.695 0.000) 2.839 15.347 ( 0.656 6.508 0.000) 6.541 16.387 ( -2.876 -4.209 0.000) 5.098 16.489 ( 2.887 0.964 0.000) 3.044 17.442 ( -2.295 -1.037 0.000) 2.519 ======================= Grid point 40 (30/219) ======================= q-point: (-0.56 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.499 -1.459 0.000) 1.542 2.764 ( 0.486 -1.746 0.000) 1.812 2.833 ( -3.601 0.022 0.000) 3.601 3.105 ( -2.163 3.657 0.000) 4.249 3.226 ( -5.318 3.667 0.000) 6.460 3.542 ( -5.251 -5.261 0.000) 7.433 3.752 ( -13.829 3.488 0.000) 14.262 3.777 ( 2.164 1.099 0.000) 2.428 3.957 ( 5.314 -11.416 0.000) 12.592 4.326 ( 6.045 0.096 0.000) 6.046 4.432 ( -0.629 1.304 0.000) 1.448 4.817 ( 7.345 0.977 0.000) 7.410 5.275 ( -4.845 0.851 0.000) 4.919 5.279 ( -6.696 -8.467 0.000) 10.795 5.940 ( -3.626 6.033 0.000) 7.039 6.193 ( -8.431 1.082 0.000) 8.500 6.355 ( -6.361 6.839 0.000) 9.340 6.884 ( -9.534 -2.523 0.000) 9.863 7.447 ( 6.542 3.625 0.000) 7.479 7.824 ( 0.548 0.181 0.000) 0.577 9.599 ( -5.946 -3.326 0.000) 6.813 9.732 ( -6.786 -6.061 0.000) 9.099 10.213 ( -13.835 -11.070 0.000) 17.719 10.370 ( -5.957 5.059 0.000) 7.815 10.518 ( -1.552 -0.551 0.000) 1.647 10.730 ( -0.424 -7.405 0.000) 7.417 10.981 ( -3.363 4.599 0.000) 5.697 11.275 ( -2.725 -0.335 0.000) 2.745 11.370 ( -4.816 0.318 0.000) 4.827 11.520 ( -7.466 -2.518 0.000) 7.879 11.540 ( -11.284 -2.022 0.000) 11.463 12.066 ( 11.003 0.715 0.000) 11.026 12.130 ( 13.425 -0.650 0.000) 13.440 12.319 ( -1.104 -2.229 0.000) 2.487 12.430 ( 0.970 1.655 0.000) 1.919 13.002 ( 20.825 0.865 0.000) 20.843 13.486 ( 2.582 3.543 0.000) 4.384 13.734 ( -4.678 -2.343 0.000) 5.232 15.368 ( 5.299 5.457 0.000) 7.606 16.352 ( -3.876 -5.516 0.000) 6.741 16.570 ( 6.689 2.915 0.000) 7.296 17.444 ( 1.385 -2.616 0.000) 2.960 ======================= Grid point 41 (31/219) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -3.850 4.500 0.000) 5.922 2.768 ( -4.288 -3.291 0.000) 5.405 2.770 ( -0.542 1.323 0.000) 1.429 3.075 ( -0.286 -1.129 0.000) 1.165 3.123 ( -5.722 -4.154 0.000) 7.071 3.470 ( -4.615 -4.325 0.000) 6.325 3.470 ( -13.153 0.944 0.000) 13.187 3.786 ( -0.671 1.375 0.000) 1.530 4.109 ( 2.762 -11.933 0.000) 12.249 4.399 ( -2.033 3.632 0.000) 4.162 4.459 ( 6.471 -0.372 0.000) 6.481 4.954 ( 7.151 1.652 0.000) 7.339 5.148 ( -6.873 0.542 0.000) 6.895 5.154 ( -11.564 -7.930 0.000) 14.021 5.813 ( -4.583 5.671 0.000) 7.291 5.931 ( -17.203 3.366 0.000) 17.529 6.094 ( -16.098 8.267 0.000) 18.097 6.622 ( -18.344 0.256 0.000) 18.346 7.543 ( 6.190 5.127 0.000) 8.038 7.837 ( 0.989 0.391 0.000) 1.063 9.557 ( -3.908 -10.734 0.000) 11.423 9.662 ( -4.859 -6.509 0.000) 8.123 9.963 ( -17.940 -11.312 0.000) 21.208 10.233 ( -5.016 -1.054 0.000) 5.125 10.548 ( 3.665 -1.604 0.000) 4.001 10.677 ( -10.681 -9.887 0.000) 14.555 10.803 ( -10.285 8.689 0.000) 13.464 11.224 ( -11.190 -3.078 0.000) 11.605 11.268 ( -1.302 4.775 0.000) 4.950 11.431 ( -4.319 -7.206 0.000) 8.401 11.476 ( 4.573 -5.266 0.000) 6.974 12.025 ( -8.527 -1.976 0.000) 8.753 12.272 ( 10.012 -0.822 0.000) 10.046 12.422 ( 2.230 4.511 0.000) 5.032 12.776 ( 29.189 -1.349 0.000) 29.220 13.407 ( 23.012 3.710 0.000) 23.309 13.496 ( -2.065 1.868 0.000) 2.784 13.629 ( -5.597 -0.608 0.000) 5.629 15.482 ( 8.712 2.871 0.000) 9.173 16.307 ( -4.251 -7.037 0.000) 8.222 16.703 ( 9.255 4.664 0.000) 10.364 17.521 ( 4.418 -4.353 0.000) 6.202 ======================= Grid point 42 (32/219) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -8.220 8.787 0.000) 12.033 2.693 ( -5.873 -3.560 0.000) 6.867 2.703 ( -4.055 8.023 0.000) 8.989 2.994 ( -12.513 -5.830 0.000) 13.805 3.091 ( 0.047 -3.541 0.000) 3.541 3.322 ( -3.473 -10.490 0.000) 11.050 3.439 ( -1.073 -5.171 0.000) 5.281 3.713 ( -7.738 -0.760 0.000) 7.775 4.163 ( -6.384 -13.140 0.000) 14.609 4.299 ( -3.735 9.237 0.000) 9.964 4.514 ( -2.072 1.281 0.000) 2.436 4.883 ( -20.281 -4.523 0.000) 20.779 5.072 ( 0.228 -1.712 0.000) 1.727 5.077 ( 6.440 3.255 0.000) 7.216 5.523 ( -21.435 5.924 0.000) 22.239 5.640 ( -24.595 4.504 0.000) 25.004 5.780 ( 2.515 4.471 0.000) 5.130 6.195 ( -24.479 2.598 0.000) 24.616 7.629 ( 6.072 5.068 0.000) 7.909 7.853 ( 1.073 1.153 0.000) 1.575 9.510 ( -10.800 -13.241 0.000) 17.087 9.600 ( -4.141 -1.211 0.000) 4.315 9.701 ( -12.783 -5.984 0.000) 14.114 10.211 ( -2.270 -11.124 0.000) 11.353 10.495 ( -12.289 -10.317 0.000) 16.046 10.528 ( -12.948 7.383 0.000) 14.905 10.663 ( 4.973 -7.975 0.000) 9.398 10.980 ( -16.181 -4.778 0.000) 16.872 11.192 ( -2.118 4.167 0.000) 4.674 11.417 ( -2.962 -10.674 0.000) 11.078 11.680 ( 11.434 -1.791 0.000) 11.573 11.924 ( -3.864 -2.340 0.000) 4.518 12.443 ( 6.157 -3.261 0.000) 6.967 12.464 ( 6.398 7.821 0.000) 10.104 13.313 ( -14.203 0.933 0.000) 14.234 13.342 ( 28.730 0.226 0.000) 28.731 13.580 ( -1.141 1.856 0.000) 2.179 13.843 ( 25.292 5.647 0.000) 25.915 15.639 ( 8.098 1.562 0.000) 8.247 16.301 ( -0.565 -10.106 0.000) 10.122 16.862 ( 10.389 5.893 0.000) 11.944 17.661 ( 6.903 -6.107 0.000) 9.217 ======================= Grid point 43 (33/219) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -11.955 12.011 0.000) 16.946 2.499 ( -10.710 15.425 0.000) 18.778 2.579 ( -7.196 -0.459 0.000) 7.210 2.776 ( -12.504 -8.729 0.000) 15.250 3.109 ( -0.838 -4.063 0.000) 4.148 3.378 ( -2.658 -17.279 0.000) 17.482 3.473 ( -18.090 -4.486 0.000) 18.637 3.487 ( 1.158 -7.509 0.000) 7.598 3.992 ( -16.208 -13.338 0.000) 20.991 4.177 ( -4.184 14.618 0.000) 15.205 4.349 ( -13.692 3.405 0.000) 14.109 4.416 ( -28.160 0.389 0.000) 28.163 5.059 ( -29.922 4.754 0.000) 30.297 5.076 ( -14.408 -0.835 0.000) 14.433 5.203 ( 6.981 3.727 0.000) 7.914 5.204 ( 5.962 4.341 0.000) 7.375 5.618 ( -25.491 5.754 0.000) 26.132 5.965 ( 7.758 -5.472 0.000) 9.494 7.722 ( 6.501 3.880 0.000) 7.571 7.863 ( 0.940 2.062 0.000) 2.266 9.268 ( -18.728 -8.782 0.000) 20.685 9.525 ( -2.909 2.778 0.000) 4.022 9.554 ( -8.133 -3.874 0.000) 9.009 10.141 ( -13.332 -13.622 0.000) 19.060 10.220 ( -15.802 4.844 0.000) 16.528 10.450 ( 0.586 -11.289 0.000) 11.305 10.685 ( -14.964 -6.435 0.000) 16.290 10.836 ( 4.632 -13.241 0.000) 14.028 11.140 ( -1.789 3.592 0.000) 4.013 11.432 ( -2.990 -14.267 0.000) 14.577 11.861 ( 6.445 3.904 0.000) 7.535 11.873 ( -2.557 -0.134 0.000) 2.561 12.528 ( -0.624 -7.505 0.000) 7.531 12.583 ( 10.502 8.284 0.000) 13.376 13.022 ( -13.622 1.262 0.000) 13.680 13.527 ( -2.414 3.456 0.000) 4.216 13.856 ( 25.843 3.321 0.000) 26.056 14.293 ( 24.214 5.641 0.000) 24.863 15.768 ( 6.748 0.218 0.000) 6.752 16.411 ( 4.838 -11.341 0.000) 12.330 17.031 ( 10.819 6.095 0.000) 12.417 17.849 ( 8.536 -7.116 0.000) 11.112 ======================= Grid point 44 (34/219) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -13.990 16.175 0.000) 21.386 2.134 ( -15.844 19.831 0.000) 25.384 2.429 ( -7.352 3.488 0.000) 8.137 2.622 ( -10.652 -11.074 0.000) 15.365 2.943 ( -23.822 0.995 0.000) 23.843 3.224 ( -6.446 -12.998 0.000) 14.509 3.260 ( -20.088 -10.958 0.000) 22.883 3.546 ( -1.911 -6.287 0.000) 6.571 3.689 ( -27.758 10.593 0.000) 29.711 3.914 ( -8.213 -9.059 0.000) 12.228 3.987 ( -18.946 -0.275 0.000) 18.948 4.008 ( -15.053 -0.473 0.000) 15.061 4.445 ( -29.400 0.469 0.000) 29.404 4.865 ( -3.936 7.189 0.000) 8.196 5.099 ( -21.246 10.873 0.000) 23.867 5.335 ( 8.015 4.317 0.000) 9.104 5.374 ( 8.785 -3.130 0.000) 9.326 6.201 ( 10.274 -10.517 0.000) 14.702 7.836 ( 7.305 2.607 0.000) 7.756 7.865 ( 0.821 3.307 0.000) 3.408 8.943 ( -19.401 -6.071 0.000) 20.328 9.383 ( -12.088 -2.906 0.000) 12.433 9.458 ( -3.208 2.346 0.000) 3.974 9.856 ( -19.227 4.382 0.000) 19.720 9.942 ( -14.354 -11.269 0.000) 18.249 10.461 ( -8.328 -2.329 0.000) 8.648 10.502 ( -8.116 -11.270 0.000) 13.888 10.998 ( 2.520 -14.188 0.000) 14.410 11.078 ( -1.633 -0.425 0.000) 1.687 11.479 ( -1.479 -17.748 0.000) 17.809 11.847 ( 1.664 2.750 0.000) 3.214 11.861 ( -0.976 7.666 0.000) 7.727 12.545 ( -1.695 -9.422 0.000) 9.574 12.741 ( 9.948 7.151 0.000) 12.251 12.791 ( -11.206 1.846 0.000) 11.357 13.489 ( 1.510 2.650 0.000) 3.050 14.285 ( 21.574 6.282 0.000) 22.470 14.660 ( 16.255 4.758 0.000) 16.937 15.936 ( 11.153 -0.957 0.000) 11.194 16.574 ( 4.848 -9.121 0.000) 10.329 17.204 ( 10.627 5.478 0.000) 11.956 18.061 ( 9.079 -7.375 0.000) 11.697 ======================= Grid point 45 (35/219) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -13.090 21.492 0.000) 25.165 1.686 ( -17.684 23.383 0.000) 29.317 2.264 ( -7.330 6.665 0.000) 9.907 2.372 ( -31.484 1.416 0.000) 31.515 2.380 ( -23.942 2.779 0.000) 24.102 2.865 ( -18.199 -4.782 0.000) 18.816 3.103 ( -24.362 0.994 0.000) 24.382 3.105 ( -16.858 -2.799 0.000) 17.089 3.458 ( -5.043 -11.597 0.000) 12.646 3.611 ( -21.366 1.141 0.000) 21.396 3.699 ( -24.792 0.895 0.000) 24.808 3.842 ( -0.761 -8.953 0.000) 8.986 4.212 ( -1.198 -23.758 0.000) 23.788 4.718 ( -10.000 17.882 0.000) 20.488 4.799 ( 1.019 9.109 0.000) 9.166 5.446 ( 6.784 6.748 0.000) 9.569 5.549 ( 6.840 -4.915 0.000) 8.422 6.451 ( 8.338 -12.876 0.000) 15.340 7.855 ( 0.932 6.045 0.000) 6.116 7.963 ( 6.844 2.675 0.000) 7.348 8.604 ( -19.506 -7.400 0.000) 20.862 9.132 ( -15.485 -3.115 0.000) 15.795 9.257 ( -25.004 -3.525 0.000) 25.251 9.462 ( -18.605 3.445 0.000) 18.922 9.737 ( -5.697 5.060 0.000) 7.620 10.188 ( -12.302 4.238 0.000) 13.011 10.513 ( 0.846 -14.919 0.000) 14.943 11.083 ( -0.814 -13.326 0.000) 13.351 11.138 ( 4.160 -6.704 0.000) 7.890 11.572 ( -1.431 -21.585 0.000) 21.633 11.815 ( 0.150 4.284 0.000) 4.286 11.941 ( 10.473 4.877 0.000) 11.553 12.512 ( -11.024 1.375 0.000) 11.109 12.591 ( -3.073 -3.441 0.000) 4.613 12.858 ( 6.149 6.632 0.000) 9.044 13.557 ( 5.362 -0.178 0.000) 5.365 14.593 ( 14.046 7.029 0.000) 15.707 14.852 ( 7.468 5.243 0.000) 9.124 16.186 ( 13.180 0.200 0.000) 13.182 16.680 ( 1.696 -6.154 0.000) 6.384 17.364 ( 8.860 4.772 0.000) 10.063 18.274 ( 8.315 -7.541 0.000) 11.225 ======================= Grid point 46 (36/219) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -8.700 27.942 0.000) 29.265 1.176 ( -22.535 22.646 0.000) 31.948 1.707 ( -25.784 35.623 0.000) 43.975 1.754 ( -27.096 3.179 0.000) 27.282 2.131 ( -3.003 9.958 0.000) 10.401 2.635 ( -12.359 -0.288 0.000) 12.362 2.749 ( -16.173 0.486 0.000) 16.180 2.866 ( -5.743 -22.445 0.000) 23.168 3.221 ( -17.541 -1.321 0.000) 17.591 3.257 ( -17.573 0.905 0.000) 17.596 3.520 ( 0.344 -16.683 0.000) 16.687 3.919 ( 1.506 -10.471 0.000) 10.579 4.379 ( 1.022 -21.037 0.000) 21.062 4.492 ( -1.837 17.631 0.000) 17.727 4.776 ( 1.834 9.441 0.000) 9.617 5.511 ( 4.758 9.151 0.000) 10.314 5.683 ( 3.773 -5.601 0.000) 6.753 6.656 ( 4.908 -12.978 0.000) 13.875 7.841 ( 3.221 10.446 0.000) 10.931 7.961 ( -11.049 2.187 0.000) 11.264 8.374 ( -3.957 -7.355 0.000) 8.352 8.561 ( -37.411 9.321 0.000) 38.555 8.842 ( -16.250 -2.754 0.000) 16.482 9.139 ( -12.692 1.647 0.000) 12.798 9.714 ( 4.661 9.546 0.000) 10.623 10.049 ( -3.653 -3.900 0.000) 5.344 10.660 ( 2.997 -17.374 0.000) 17.631 11.195 ( 7.108 -10.583 0.000) 12.748 11.253 ( 2.013 -10.411 0.000) 10.604 11.659 ( -3.454 -24.094 0.000) 24.341 11.805 ( 0.963 3.604 0.000) 3.731 12.137 ( 10.872 4.976 0.000) 11.957 12.276 ( -9.007 4.487 0.000) 10.062 12.587 ( -0.862 -3.155 0.000) 3.271 12.898 ( 2.127 6.566 0.000) 6.902 13.657 ( 3.881 -1.019 0.000) 4.013 14.722 ( 3.188 4.742 0.000) 5.714 14.922 ( 4.596 8.834 0.000) 9.958 16.358 ( 3.257 0.721 0.000) 3.335 16.739 ( 2.774 -2.902 0.000) 4.015 17.474 ( 5.058 4.268 0.000) 6.618 18.453 ( 5.374 -7.607 0.000) 9.314 ======================= Grid point 47 (37/219) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 27.743 0.000) 27.743 0.785 ( -0.000 32.771 0.000) 32.771 1.194 ( -0.000 50.884 0.000) 50.884 1.434 ( -0.000 4.460 0.000) 4.460 2.045 ( -0.000 10.306 0.000) 10.306 2.500 ( 0.000 -1.085 0.000) 1.085 2.580 ( -0.000 0.064 0.000) 0.064 2.993 ( 0.000 -28.614 0.000) 28.614 3.032 ( 0.000 -0.072 0.000) 0.072 3.069 ( -0.000 1.281 0.000) 1.281 3.621 ( 0.000 -15.385 0.000) 15.385 3.999 ( 0.000 -11.387 0.000) 11.387 4.308 ( -0.000 23.071 0.000) 23.071 4.577 ( 0.000 -23.482 0.000) 23.482 4.744 ( -0.000 9.496 0.000) 9.496 5.513 ( -0.000 10.088 0.000) 10.088 5.753 ( 0.000 -5.419 0.000) 5.419 6.778 ( 0.000 -11.305 0.000) 11.305 7.666 ( -0.000 8.489 0.000) 8.489 7.862 ( -0.000 16.757 0.000) 16.757 8.019 ( -0.000 10.542 0.000) 10.542 8.464 ( 0.000 -1.416 0.000) 1.416 8.606 ( 0.000 -0.391 0.000) 0.391 9.002 ( -0.000 0.968 0.000) 0.968 9.720 ( -0.000 7.553 0.000) 7.553 10.049 ( 0.000 -6.371 0.000) 6.371 10.788 ( 0.000 -16.823 0.000) 16.823 11.338 ( 0.000 -12.275 0.000) 12.275 11.414 ( 0.000 -11.734 0.000) 11.734 11.737 ( 0.000 -24.494 0.000) 24.494 11.794 ( -0.000 4.820 0.000) 4.820 12.155 ( -0.000 5.005 0.000) 5.005 12.225 ( -0.000 4.925 0.000) 4.925 12.596 ( 0.000 -2.945 0.000) 2.945 12.876 ( -0.000 6.818 0.000) 6.818 13.700 ( 0.000 -0.590 0.000) 0.590 14.710 ( -0.000 3.803 0.000) 3.803 14.914 ( -0.000 10.286 0.000) 10.286 16.344 ( -0.000 1.489 0.000) 1.489 16.797 ( 0.000 -1.259 0.000) 1.259 17.500 ( -0.000 3.698 0.000) 3.698 18.550 ( 0.000 -6.860 0.000) 6.860 ======================= Grid point 52 (38/219) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 7.791 -0.000 0.000) 7.791 2.593 ( 7.620 -0.000 0.000) 7.620 3.083 ( -4.588 0.000 0.000) 4.588 3.138 ( 12.817 -0.000 0.000) 12.817 3.519 ( -0.189 0.000 0.000) 0.189 3.575 ( -1.377 0.000 0.000) 1.377 3.583 ( 5.809 -0.000 0.000) 5.809 3.674 ( -4.467 0.000 0.000) 4.467 4.259 ( -0.927 0.000 0.000) 0.927 4.382 ( -4.509 0.000 0.000) 4.509 4.575 ( -12.072 0.000 0.000) 12.072 4.932 ( 12.643 -0.000 0.000) 12.643 5.003 ( 15.259 -0.000 0.000) 15.259 5.222 ( -15.519 0.000 0.000) 15.519 5.676 ( 22.455 -0.000 0.000) 22.455 5.813 ( 18.523 -0.000 0.000) 18.523 5.971 ( 14.218 -0.000 0.000) 14.218 6.456 ( 20.877 -0.000 0.000) 20.877 7.317 ( -4.919 0.000 0.000) 4.919 7.813 ( -0.094 0.000 0.000) 0.094 9.815 ( 12.944 -0.000 0.000) 12.944 10.032 ( 10.970 -0.000 0.000) 10.970 10.302 ( -0.272 0.000 0.000) 0.272 10.381 ( -13.513 0.000 0.000) 13.513 10.442 ( 20.926 -0.000 0.000) 20.926 11.018 ( -20.312 0.000 0.000) 20.312 11.055 ( 1.254 -0.000 0.000) 1.254 11.274 ( 14.149 -0.000 0.000) 14.149 11.411 ( 3.635 -0.000 0.000) 3.635 11.701 ( -1.754 0.000 0.000) 1.754 11.792 ( -3.155 0.000 0.000) 3.155 11.834 ( 13.944 -0.000 0.000) 13.944 12.121 ( 4.539 -0.000 0.000) 4.539 12.191 ( -20.571 0.000 0.000) 20.571 12.886 ( -30.750 0.000 0.000) 30.750 13.166 ( -15.590 0.000 0.000) 15.590 13.436 ( 4.145 -0.000 0.000) 4.145 13.639 ( 7.486 -0.000 0.000) 7.486 15.500 ( -4.316 0.000 0.000) 4.316 16.512 ( -5.477 0.000 0.000) 5.477 16.526 ( -5.330 0.000 0.000) 5.330 17.676 ( -8.857 0.000 0.000) 8.857 ======================= Grid point 53 (39/219) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 4.835 -1.151 0.000) 4.970 2.695 ( 3.225 -0.159 0.000) 3.229 2.994 ( -4.078 1.148 0.000) 4.237 3.317 ( 4.721 2.482 0.000) 5.334 3.506 ( -1.158 0.539 0.000) 1.277 3.542 ( -1.302 0.019 0.000) 1.302 3.635 ( 0.277 -2.416 0.000) 2.432 3.654 ( 1.868 0.238 0.000) 1.883 4.197 ( -1.233 9.644 0.000) 9.722 4.368 ( -8.384 0.365 0.000) 8.392 4.379 ( -1.392 -11.276 0.000) 11.362 4.894 ( -11.614 7.285 0.000) 13.710 5.145 ( 4.644 -7.526 0.000) 8.843 5.233 ( 8.481 -0.150 0.000) 8.483 5.964 ( 9.153 2.446 0.000) 9.474 6.110 ( 11.734 -0.469 0.000) 11.743 6.271 ( 14.992 0.871 0.000) 15.018 6.778 ( 11.587 -1.889 0.000) 11.740 7.272 ( 0.578 -0.598 0.000) 0.832 7.815 ( 0.240 -0.035 0.000) 0.243 10.067 ( 6.987 3.881 0.000) 7.992 10.123 ( -6.517 -3.559 0.000) 7.426 10.131 ( -3.333 12.479 0.000) 12.916 10.278 ( -2.441 -12.724 0.000) 12.956 10.653 ( -11.850 2.527 0.000) 12.116 10.811 ( 16.408 0.753 0.000) 16.425 11.009 ( -7.134 0.546 0.000) 7.155 11.450 ( 3.845 2.570 0.000) 4.625 11.454 ( 0.845 0.715 0.000) 1.107 11.667 ( -6.129 0.355 0.000) 6.139 11.719 ( 4.014 1.726 0.000) 4.369 11.839 ( -14.745 -3.254 0.000) 15.100 12.162 ( -1.300 0.520 0.000) 1.400 12.187 ( 13.970 -3.094 0.000) 14.308 12.429 ( -10.639 0.898 0.000) 10.677 12.866 ( -16.106 -0.635 0.000) 16.118 13.493 ( 2.283 1.089 0.000) 2.530 13.726 ( 1.905 -0.778 0.000) 2.058 15.441 ( -1.506 1.838 0.000) 2.376 16.412 ( -4.841 -0.773 0.000) 4.902 16.469 ( -0.702 -0.231 0.000) 0.739 17.524 ( -6.677 0.108 0.000) 6.677 ======================= Grid point 54 (40/219) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 3.224 -2.128 0.000) 3.863 2.729 ( 0.458 -0.722 0.000) 0.855 2.914 ( -3.758 0.729 0.000) 3.828 3.283 ( -2.976 7.897 0.000) 8.439 3.441 ( -3.567 6.801 0.000) 7.680 3.521 ( -3.837 -6.368 0.000) 7.435 3.700 ( 1.847 -7.162 0.000) 7.397 3.707 ( 4.901 -0.856 0.000) 4.975 4.064 ( -9.558 5.274 0.000) 10.916 4.276 ( -0.678 0.514 0.000) 0.851 4.415 ( 0.087 -5.356 0.000) 5.357 4.747 ( 0.436 3.099 0.000) 3.130 5.225 ( -0.512 -5.803 0.000) 5.825 5.326 ( 1.258 0.415 0.000) 1.324 6.041 ( 1.135 2.790 0.000) 3.012 6.251 ( 2.445 -0.462 0.000) 2.488 6.466 ( 6.076 4.376 0.000) 7.487 6.906 ( 0.246 -3.761 0.000) 3.769 7.349 ( 6.701 0.536 0.000) 6.723 7.820 ( 0.267 0.116 0.000) 0.291 9.847 ( -14.881 6.895 0.000) 16.401 9.851 ( -11.894 -0.881 0.000) 11.927 10.264 ( -7.768 -8.335 0.000) 11.393 10.359 ( 12.633 0.156 0.000) 12.634 10.542 ( -1.901 -0.296 0.000) 1.924 10.797 ( -12.704 0.648 0.000) 12.720 11.002 ( 3.474 0.264 0.000) 3.484 11.376 ( -8.519 -0.887 0.000) 8.566 11.441 ( -1.643 0.790 0.000) 1.823 11.636 ( -6.077 0.276 0.000) 6.083 11.722 ( 12.889 -0.101 0.000) 12.890 11.867 ( -16.383 0.738 0.000) 16.400 11.879 ( 9.104 -0.324 0.000) 9.110 12.410 ( 3.039 1.647 0.000) 3.457 12.551 ( -11.553 -0.962 0.000) 11.593 12.597 ( 15.527 -2.267 0.000) 15.692 13.517 ( 1.920 3.725 0.000) 4.191 13.738 ( -1.452 -2.734 0.000) 3.096 15.418 ( 1.204 4.979 0.000) 5.122 16.340 ( -4.045 -3.394 0.000) 5.281 16.499 ( 3.842 0.699 0.000) 3.905 17.431 ( -3.067 -0.751 0.000) 3.158 ======================= Grid point 55 (41/219) ======================= q-point: (-0.62 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 1.778 -2.231 0.000) 2.853 2.734 ( -0.696 -2.816 0.000) 2.901 2.836 ( -4.245 0.298 0.000) 4.256 3.170 ( -3.512 7.242 0.000) 8.048 3.307 ( -5.035 9.702 0.000) 10.930 3.468 ( -5.506 -7.384 0.000) 9.211 3.786 ( 2.850 0.554 0.000) 2.904 3.792 ( -14.707 1.821 0.000) 14.820 3.807 ( 2.194 -12.633 0.000) 12.822 4.328 ( 5.727 0.296 0.000) 5.735 4.450 ( 1.969 1.158 0.000) 2.284 4.823 ( 6.786 0.353 0.000) 6.795 5.196 ( -5.710 -5.651 0.000) 8.034 5.284 ( -4.999 0.578 0.000) 5.033 5.991 ( -4.295 3.001 0.000) 5.240 6.203 ( -7.406 0.620 0.000) 7.432 6.441 ( -4.982 7.516 0.000) 9.017 6.846 ( -8.653 -3.728 0.000) 9.422 7.483 ( 7.446 2.472 0.000) 7.846 7.826 ( 0.503 0.130 0.000) 0.519 9.578 ( -10.546 -0.598 0.000) 10.563 9.671 ( -8.245 -4.274 0.000) 9.287 10.089 ( -14.920 -9.562 0.000) 17.721 10.431 ( -6.857 5.452 0.000) 8.760 10.525 ( 0.346 1.205 0.000) 1.253 10.647 ( -2.546 -6.917 0.000) 7.371 11.011 ( -1.615 1.011 0.000) 1.905 11.272 ( -0.295 -0.298 0.000) 0.420 11.380 ( -4.898 1.124 0.000) 5.026 11.498 ( -8.559 -1.216 0.000) 8.645 11.522 ( -15.260 -1.046 0.000) 15.296 12.070 ( 10.219 -0.024 0.000) 10.219 12.131 ( 16.640 0.988 0.000) 16.669 12.283 ( -5.405 -3.686 0.000) 6.542 12.452 ( 2.715 1.994 0.000) 3.368 13.004 ( 21.926 -0.374 0.000) 21.929 13.532 ( 1.959 4.193 0.000) 4.628 13.701 ( -4.311 -3.152 0.000) 5.341 15.438 ( 4.482 6.040 0.000) 7.521 16.286 ( -4.582 -5.480 0.000) 7.143 16.601 ( 7.595 2.305 0.000) 7.937 17.416 ( 0.581 -2.128 0.000) 2.206 ======================= Grid point 56 (42/219) ======================= q-point: (-0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -1.026 0.852 0.000) 1.333 2.742 ( -0.944 -5.184 0.000) 5.270 2.746 ( -5.138 -0.559 0.000) 5.169 3.085 ( -1.999 2.880 0.000) 3.506 3.149 ( -5.874 7.942 0.000) 9.879 3.407 ( -4.792 -6.459 0.000) 8.042 3.489 ( -14.550 2.153 0.000) 14.709 3.800 ( -1.233 0.981 0.000) 1.576 3.933 ( 0.629 -16.929 0.000) 16.941 4.458 ( 0.216 4.832 0.000) 4.837 4.458 ( 6.906 0.219 0.000) 6.909 4.955 ( 5.313 -0.943 0.000) 5.396 5.086 ( -7.833 -3.992 0.000) 8.792 5.150 ( -7.834 -0.133 0.000) 7.835 5.858 ( -7.276 2.465 0.000) 7.682 5.967 ( -15.912 2.694 0.000) 16.139 6.200 ( -14.563 9.430 0.000) 17.349 6.614 ( -17.253 -1.619 0.000) 17.328 7.596 ( 6.320 3.912 0.000) 7.433 7.841 ( 1.239 0.243 0.000) 1.263 9.446 ( -6.558 -8.080 0.000) 10.406 9.587 ( -3.780 -6.078 0.000) 7.157 9.843 ( -15.641 -9.070 0.000) 18.080 10.232 ( -9.290 0.649 0.000) 9.312 10.543 ( 1.986 0.441 0.000) 2.034 10.575 ( -10.559 -7.668 0.000) 13.049 10.892 ( -9.372 6.468 0.000) 11.387 11.194 ( -12.671 -1.988 0.000) 12.826 11.316 ( -2.979 3.246 0.000) 4.406 11.353 ( -6.369 -5.999 0.000) 8.749 11.426 ( 7.794 -3.016 0.000) 8.357 12.000 ( -9.592 -2.130 0.000) 9.825 12.258 ( 8.701 -1.476 0.000) 8.826 12.468 ( 4.164 3.289 0.000) 5.306 12.764 ( 29.766 -0.786 0.000) 29.776 13.438 ( 23.937 1.711 0.000) 23.998 13.517 ( -3.950 1.676 0.000) 4.291 13.622 ( -3.464 -0.691 0.000) 3.532 15.525 ( 7.646 4.256 0.000) 8.750 16.224 ( -5.508 -6.991 0.000) 8.900 16.754 ( 10.033 3.999 0.000) 10.801 17.473 ( 3.438 -3.823 0.000) 5.142 ======================= Grid point 57 (43/219) ======================= q-point: (-0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -6.069 7.471 0.000) 9.625 2.658 ( -4.838 -2.353 0.000) 5.379 2.737 ( -3.208 -3.472 0.000) 4.727 2.985 ( -8.140 5.673 0.000) 9.922 3.058 ( -0.915 -1.863 0.000) 2.075 3.244 ( -9.528 -2.947 0.000) 9.973 3.372 ( -2.253 -6.230 0.000) 6.625 3.707 ( -9.079 -0.278 0.000) 9.083 3.981 ( -7.312 -16.852 0.000) 18.370 4.398 ( -2.735 6.034 0.000) 6.625 4.534 ( -0.079 2.047 0.000) 2.049 4.854 ( -14.231 0.019 0.000) 14.231 5.041 ( -3.193 -3.314 0.000) 4.602 5.095 ( 4.662 -0.165 0.000) 4.665 5.592 ( -19.327 5.599 0.000) 20.122 5.664 ( -18.185 0.621 0.000) 18.195 5.861 ( -7.604 8.270 0.000) 11.234 6.215 ( -23.833 0.979 0.000) 23.853 7.684 ( 5.521 4.258 0.000) 6.972 7.867 ( 1.737 1.142 0.000) 2.079 9.367 ( -9.557 -11.137 0.000) 14.676 9.576 ( -1.027 -2.954 0.000) 3.127 9.626 ( -10.771 -6.648 0.000) 12.657 10.103 ( -6.270 -7.244 0.000) 9.581 10.381 ( -12.696 -9.062 0.000) 15.598 10.581 ( -4.519 -1.696 0.000) 4.827 10.626 ( -7.436 4.690 0.000) 8.791 10.936 ( -16.218 -2.600 0.000) 16.425 11.233 ( -2.273 2.796 0.000) 3.603 11.293 ( -5.329 -10.711 0.000) 11.963 11.668 ( 13.647 -0.172 0.000) 13.648 11.894 ( -3.444 -2.795 0.000) 4.436 12.406 ( 4.807 -3.156 0.000) 5.751 12.545 ( 7.139 6.087 0.000) 9.381 13.325 ( -13.648 1.096 0.000) 13.692 13.348 ( 30.367 0.786 0.000) 30.378 13.596 ( -0.795 0.948 0.000) 1.238 13.898 ( 25.564 3.821 0.000) 25.848 15.662 ( 7.783 2.477 0.000) 8.167 16.184 ( -2.545 -9.931 0.000) 10.252 16.929 ( 10.900 5.540 0.000) 12.227 17.590 ( 5.919 -5.863 0.000) 8.331 ======================= Grid point 58 (44/219) ======================= q-point: (-0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -9.638 11.933 0.000) 15.339 2.574 ( -5.047 -0.433 0.000) 5.065 2.641 ( -7.103 1.647 0.000) 7.291 2.731 ( -13.560 8.003 0.000) 15.745 3.057 ( -1.238 -4.540 0.000) 4.706 3.196 ( -2.675 -13.743 0.000) 14.001 3.396 ( -2.312 -7.785 0.000) 8.121 3.438 ( -17.159 -2.110 0.000) 17.288 3.827 ( -16.727 -14.597 0.000) 22.201 4.284 ( -8.094 2.602 0.000) 8.502 4.390 ( -13.692 3.697 0.000) 14.182 4.479 ( -20.688 11.314 0.000) 23.579 5.020 ( -6.464 -6.547 0.000) 9.200 5.109 ( -25.764 3.360 0.000) 25.982 5.219 ( 0.078 -0.549 0.000) 0.555 5.288 ( -2.604 7.890 0.000) 8.308 5.684 ( -22.979 5.435 0.000) 23.613 5.909 ( 3.703 -4.118 0.000) 5.538 7.766 ( 5.605 3.526 0.000) 6.622 7.890 ( 1.650 2.388 0.000) 2.903 9.172 ( -15.620 -7.464 0.000) 17.312 9.504 ( -7.178 -4.831 0.000) 8.652 9.555 ( -1.538 2.269 0.000) 2.741 9.999 ( -11.706 -10.554 0.000) 15.761 10.276 ( -16.445 4.578 0.000) 17.070 10.305 ( -0.721 -13.221 0.000) 13.241 10.617 ( -16.799 -4.920 0.000) 17.504 10.704 ( 2.883 -9.280 0.000) 9.718 11.183 ( -1.802 3.771 0.000) 4.180 11.265 ( -5.221 -14.462 0.000) 15.376 11.870 ( -0.623 -0.489 0.000) 0.792 11.901 ( 10.166 3.133 0.000) 10.638 12.455 ( -2.350 -5.146 0.000) 5.657 12.671 ( 9.689 6.889 0.000) 11.888 13.040 ( -13.620 1.627 0.000) 13.716 13.556 ( -2.475 1.601 0.000) 2.948 13.897 ( 27.906 3.611 0.000) 28.138 14.354 ( 23.672 4.642 0.000) 24.123 15.775 ( 5.829 1.068 0.000) 5.926 16.274 ( 4.825 -12.173 0.000) 13.094 17.103 ( 10.858 6.341 0.000) 12.574 17.764 ( 7.928 -7.485 0.000) 10.903 ======================= Grid point 59 (45/219) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -10.979 16.444 0.000) 19.773 2.362 ( -14.403 19.017 0.000) 23.856 2.469 ( -5.064 3.150 0.000) 5.964 2.508 ( -10.366 -8.084 0.000) 13.145 2.951 ( -25.722 0.237 0.000) 25.723 3.085 ( -4.558 -10.519 0.000) 11.464 3.143 ( -13.862 -9.077 0.000) 16.569 3.465 ( -0.491 -7.550 0.000) 7.566 3.639 ( -10.458 -17.252 0.000) 20.175 3.900 ( -26.514 6.232 0.000) 27.236 3.991 ( -23.241 0.894 0.000) 23.258 4.071 ( -16.260 10.371 0.000) 19.286 4.470 ( -32.880 3.254 0.000) 33.041 4.913 ( -3.291 1.078 0.000) 3.463 5.214 ( -16.514 8.601 0.000) 18.620 5.354 ( 5.888 -1.050 0.000) 5.981 5.358 ( 7.645 0.640 0.000) 7.671 6.082 ( 8.038 -9.566 0.000) 12.495 7.865 ( 6.644 2.314 0.000) 7.035 7.904 ( 1.628 3.235 0.000) 3.621 8.882 ( -17.870 -4.098 0.000) 18.334 9.352 ( -11.488 -2.536 0.000) 11.764 9.481 ( -6.074 1.723 0.000) 6.314 9.831 ( -9.489 -7.460 0.000) 12.070 9.912 ( -18.966 5.102 0.000) 19.640 10.378 ( -10.460 -9.656 0.000) 14.235 10.391 ( -1.517 -9.740 0.000) 9.857 10.828 ( 1.179 -14.857 0.000) 14.904 11.097 ( -4.346 3.481 0.000) 5.569 11.268 ( -3.892 -18.045 0.000) 18.459 11.883 ( 3.729 3.266 0.000) 4.957 11.952 ( -1.421 7.887 0.000) 8.013 12.446 ( -0.057 -7.540 0.000) 7.540 12.811 ( -10.525 1.579 0.000) 10.643 12.818 ( 8.969 5.983 0.000) 10.781 13.511 ( -0.411 1.036 0.000) 1.114 14.359 ( 22.958 6.447 0.000) 23.846 14.712 ( 15.643 4.045 0.000) 16.158 15.928 ( 11.314 -0.277 0.000) 11.318 16.458 ( 6.055 -10.711 0.000) 12.304 17.272 ( 10.440 6.146 0.000) 12.114 17.971 ( 8.648 -8.210 0.000) 11.925 ======================= Grid point 60 (46/219) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -9.589 21.642 0.000) 23.672 1.936 ( -18.797 19.234 0.000) 26.894 2.336 ( -12.507 5.243 0.000) 13.562 2.358 ( -10.539 -5.657 0.000) 11.961 2.391 ( -23.117 2.155 0.000) 23.217 2.824 ( -18.124 -1.398 0.000) 18.178 3.055 ( -9.396 -5.974 0.000) 11.135 3.205 ( -28.011 14.722 0.000) 31.644 3.347 ( -12.834 -7.113 0.000) 14.673 3.630 ( -22.391 1.979 0.000) 22.478 3.679 ( -17.143 -6.316 0.000) 18.269 3.739 ( -3.112 -9.029 0.000) 9.550 3.963 ( -12.861 -16.498 0.000) 20.919 4.878 ( 0.531 4.281 0.000) 4.314 4.914 ( -7.097 15.939 0.000) 17.448 5.487 ( 6.286 -0.205 0.000) 6.289 5.504 ( 6.439 -2.581 0.000) 6.937 6.296 ( 6.984 -13.316 0.000) 15.036 7.919 ( 2.419 4.630 0.000) 5.224 7.992 ( 7.561 2.149 0.000) 7.860 8.543 ( -19.163 -3.005 0.000) 19.398 9.102 ( -15.405 -2.259 0.000) 15.570 9.221 ( -23.189 -2.400 0.000) 23.312 9.508 ( -19.317 4.473 0.000) 19.828 9.767 ( 0.734 0.914 0.000) 1.172 10.261 ( -10.731 6.382 0.000) 12.486 10.345 ( -0.849 -13.668 0.000) 13.694 10.909 ( -1.190 -16.558 0.000) 16.601 11.063 ( 0.678 -5.373 0.000) 5.416 11.321 ( -3.141 -21.407 0.000) 21.636 11.869 ( -1.389 4.975 0.000) 5.165 12.000 ( 10.839 5.120 0.000) 11.988 12.499 ( -1.190 -2.978 0.000) 3.207 12.587 ( -9.389 2.140 0.000) 9.630 12.927 ( 5.501 5.179 0.000) 7.556 13.547 ( 3.614 -1.634 0.000) 3.966 14.677 ( 13.549 7.310 0.000) 15.395 14.912 ( 8.978 4.868 0.000) 10.213 16.188 ( 13.821 0.125 0.000) 13.821 16.600 ( 3.289 -7.543 0.000) 8.229 17.424 ( 8.777 5.593 0.000) 10.407 18.179 ( 7.752 -8.663 0.000) 11.625 ======================= Grid point 61 (47/219) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -5.386 27.082 0.000) 27.613 1.413 ( -23.436 18.574 0.000) 29.904 1.794 ( -25.215 3.592 0.000) 25.470 2.103 ( -9.403 27.542 0.000) 29.103 2.249 ( -1.698 10.023 0.000) 10.165 2.616 ( -5.780 -7.462 0.000) 9.439 2.681 ( -18.689 0.222 0.000) 18.690 2.756 ( -16.286 0.655 0.000) 16.300 3.215 ( -17.429 0.071 0.000) 17.429 3.272 ( -17.929 1.574 0.000) 17.997 3.319 ( -1.150 -17.343 0.000) 17.381 3.798 ( 1.052 -10.620 0.000) 10.672 4.071 ( 1.249 -28.433 0.000) 28.461 4.730 ( -1.981 19.817 0.000) 19.916 4.866 ( 1.046 5.869 0.000) 5.961 5.581 ( 4.118 2.640 0.000) 4.892 5.623 ( 3.621 -4.468 0.000) 5.751 6.490 ( 4.341 -15.133 0.000) 15.744 7.952 ( 5.343 7.966 0.000) 9.592 8.015 ( -9.182 6.824 0.000) 11.440 8.310 ( 0.169 -4.302 0.000) 4.306 8.654 ( -30.854 6.850 0.000) 31.605 8.815 ( -15.362 -2.195 0.000) 15.518 9.164 ( -13.234 2.682 0.000) 13.503 9.809 ( 4.123 4.810 0.000) 6.335 10.064 ( -3.801 8.487 0.000) 9.300 10.454 ( 1.330 -17.642 0.000) 17.692 11.041 ( 6.411 -15.715 0.000) 16.973 11.119 ( -1.140 -12.293 0.000) 12.346 11.377 ( -5.008 -23.913 0.000) 24.432 11.850 ( 1.700 4.058 0.000) 4.399 12.194 ( 10.536 4.652 0.000) 11.517 12.327 ( -8.647 4.086 0.000) 9.563 12.559 ( 0.069 -1.636 0.000) 1.637 12.965 ( 1.694 4.996 0.000) 5.275 13.635 ( 3.357 -2.831 0.000) 4.392 14.786 ( 2.914 6.027 0.000) 6.694 15.025 ( 6.439 8.633 0.000) 10.770 16.363 ( 2.933 0.001 0.000) 2.933 16.702 ( 4.864 -3.323 0.000) 5.891 17.529 ( 5.101 5.188 0.000) 7.276 18.355 ( 4.886 -9.121 0.000) 10.347 ======================= Grid point 62 (48/219) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 24.436 0.000) 24.436 1.155 ( -0.000 30.931 0.000) 30.931 1.492 ( -0.000 5.286 0.000) 5.286 1.770 ( -0.000 47.860 0.000) 47.860 2.174 ( -0.000 11.509 0.000) 11.509 2.485 ( 0.000 -1.439 0.000) 1.439 2.581 ( -0.000 0.103 0.000) 0.103 2.685 ( 0.000 -23.304 0.000) 23.304 3.033 ( -0.000 0.145 0.000) 0.145 3.084 ( -0.000 1.398 0.000) 1.398 3.419 ( 0.000 -18.663 0.000) 18.663 3.872 ( 0.000 -10.768 0.000) 10.768 4.250 ( 0.000 -27.288 0.000) 27.288 4.595 ( -0.000 21.015 0.000) 21.015 4.841 ( -0.000 7.037 0.000) 7.037 5.603 ( -0.000 5.157 0.000) 5.157 5.688 ( 0.000 -5.435 0.000) 5.435 6.623 ( 0.000 -14.954 0.000) 14.954 7.783 ( -0.000 11.433 0.000) 11.433 8.033 ( -0.000 11.107 0.000) 11.107 8.165 ( -0.000 14.510 0.000) 14.510 8.440 ( 0.000 -2.763 0.000) 2.763 8.600 ( 0.000 -0.576 0.000) 0.576 9.017 ( -0.000 1.705 0.000) 1.705 9.822 ( -0.000 8.036 0.000) 8.036 10.003 ( -0.000 1.249 0.000) 1.249 10.574 ( 0.000 -19.349 0.000) 19.349 11.180 ( 0.000 -14.722 0.000) 14.722 11.263 ( 0.000 -14.034 0.000) 14.034 11.432 ( 0.000 -27.389 0.000) 27.389 11.851 ( -0.000 4.826 0.000) 4.826 12.211 ( -0.000 4.474 0.000) 4.474 12.281 ( -0.000 4.494 0.000) 4.494 12.567 ( 0.000 -1.751 0.000) 1.751 12.947 ( -0.000 5.402 0.000) 5.402 13.685 ( 0.000 -2.230 0.000) 2.230 14.769 ( -0.000 6.032 0.000) 6.032 15.034 ( -0.000 10.208 0.000) 10.208 16.359 ( -0.000 1.018 0.000) 1.018 16.780 ( 0.000 -1.697 0.000) 1.697 17.550 ( -0.000 4.840 0.000) 4.840 18.457 ( 0.000 -8.942 0.000) 8.942 ======================= Grid point 69 (49/219) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 3.278 -0.000 0.000) 3.278 2.725 ( 0.130 -0.000 0.000) 0.130 2.918 ( -4.048 0.000 0.000) 4.048 3.344 ( -1.902 0.000 0.000) 1.902 3.469 ( -5.441 0.000 0.000) 5.441 3.492 ( -0.810 0.000 0.000) 0.810 3.648 ( -1.667 0.000 0.000) 1.667 3.702 ( 5.457 -0.000 0.000) 5.457 4.101 ( -11.857 0.000 0.000) 11.857 4.279 ( -0.715 0.000 0.000) 0.715 4.376 ( 3.624 -0.000 0.000) 3.624 4.768 ( -1.178 0.000 0.000) 1.178 5.189 ( 0.445 -0.000 0.000) 0.445 5.328 ( 1.342 -0.000 0.000) 1.342 6.057 ( 0.700 -0.000 0.000) 0.700 6.248 ( 2.655 -0.000 0.000) 2.655 6.495 ( 6.936 -0.000 0.000) 6.936 6.881 ( 0.129 -0.000 0.000) 0.129 7.352 ( 7.180 -0.000 0.000) 7.180 7.821 ( 0.293 -0.000 0.000) 0.293 9.846 ( -12.800 0.000 0.000) 12.800 9.896 ( -18.024 0.000 0.000) 18.024 10.204 ( -6.281 0.000 0.000) 6.281 10.360 ( 13.506 -0.000 0.000) 13.506 10.544 ( -1.764 0.000 0.000) 1.764 10.801 ( -13.697 0.000 0.000) 13.697 11.003 ( 2.981 -0.000 0.000) 2.981 11.370 ( -9.091 0.000 0.000) 9.091 11.446 ( -1.691 0.000 0.000) 1.691 11.638 ( -6.596 0.000 0.000) 6.596 11.721 ( 13.616 -0.000 0.000) 13.616 11.871 ( -17.053 0.000 0.000) 17.053 11.877 ( 9.803 -0.000 0.000) 9.803 12.421 ( 2.656 -0.000 0.000) 2.656 12.545 ( -11.410 0.000 0.000) 11.410 12.582 ( 16.157 -0.000 0.000) 16.157 13.542 ( 2.370 -0.000 0.000) 2.370 13.719 ( -1.889 0.000 0.000) 1.889 15.449 ( 1.495 -0.000 0.000) 1.495 16.319 ( -4.546 0.000 0.000) 4.546 16.503 ( 4.192 -0.000 0.000) 4.192 17.426 ( -3.352 0.000 0.000) 3.352 ======================= Grid point 70 (50/219) ======================= q-point: (-0.69 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 2.182 -0.938 0.000) 2.375 2.709 ( -1.831 -1.222 0.000) 2.202 2.838 ( -4.366 0.080 0.000) 4.367 3.262 ( -3.794 8.107 0.000) 8.951 3.376 ( -6.021 -7.981 0.000) 9.998 3.432 ( -3.024 10.301 0.000) 10.736 3.648 ( -1.302 -11.649 0.000) 11.721 3.790 ( 3.253 0.157 0.000) 3.257 3.821 ( -15.075 1.382 0.000) 15.138 4.331 ( 5.566 0.147 0.000) 5.568 4.456 ( 3.879 0.108 0.000) 3.881 4.827 ( 6.031 0.274 0.000) 6.037 5.151 ( -4.768 -1.997 0.000) 5.169 5.288 ( -5.167 0.204 0.000) 5.171 6.013 ( -4.724 0.857 0.000) 4.801 6.208 ( -6.803 0.198 0.000) 6.806 6.512 ( -4.226 3.764 0.000) 5.659 6.807 ( -8.245 -2.273 0.000) 8.552 7.502 ( 7.916 0.877 0.000) 7.964 7.827 ( 0.452 0.048 0.000) 0.455 9.578 ( -13.918 0.320 0.000) 13.922 9.636 ( -9.057 -1.545 0.000) 9.188 10.007 ( -13.989 -3.947 0.000) 14.535 10.496 ( -8.559 5.647 0.000) 10.255 10.538 ( 0.734 0.709 0.000) 1.021 10.571 ( -2.345 -6.135 0.000) 6.567 11.014 ( -0.721 -0.099 0.000) 0.728 11.269 ( 0.759 -0.149 0.000) 0.773 11.391 ( -4.203 0.539 0.000) 4.238 11.490 ( -8.848 -0.314 0.000) 8.854 11.515 ( -17.929 -0.276 0.000) 17.931 12.068 ( 9.731 -0.100 0.000) 9.732 12.148 ( 23.768 1.432 0.000) 23.811 12.243 ( -12.930 -2.489 0.000) 13.168 12.470 ( 3.296 0.904 0.000) 3.417 12.998 ( 22.566 -0.356 0.000) 22.568 13.576 ( 1.751 2.901 0.000) 3.388 13.666 ( -4.319 -2.493 0.000) 4.987 15.493 ( 3.929 2.768 0.000) 4.806 16.237 ( -4.903 -2.462 0.000) 5.486 16.621 ( 8.089 0.890 0.000) 8.138 17.398 ( 0.139 -0.833 0.000) 0.844 ======================= Grid point 71 (51/219) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 0.650 -0.718 0.000) 0.968 2.682 ( -2.370 -4.228 0.000) 4.847 2.747 ( -5.141 0.371 0.000) 5.154 3.139 ( -3.972 6.235 0.000) 7.393 3.273 ( -6.230 11.995 0.000) 13.517 3.324 ( -4.410 -7.666 0.000) 8.844 3.516 ( -13.439 2.527 0.000) 13.675 3.735 ( -0.877 -16.489 0.000) 16.513 3.809 ( -1.534 0.490 0.000) 1.611 4.462 ( 7.285 0.287 0.000) 7.290 4.497 ( 0.314 1.902 0.000) 1.928 4.947 ( 4.813 -0.091 0.000) 4.814 5.053 ( -5.327 -2.048 0.000) 5.707 5.148 ( -8.721 -0.241 0.000) 8.724 5.877 ( -8.576 0.949 0.000) 8.629 5.991 ( -14.959 1.485 0.000) 15.032 6.298 ( -14.250 6.861 0.000) 15.816 6.588 ( -16.221 -2.418 0.000) 16.400 7.631 ( 6.382 2.111 0.000) 6.722 7.843 ( 1.426 0.111 0.000) 1.430 9.374 ( -8.847 -4.262 0.000) 9.820 9.530 ( -3.522 -3.621 0.000) 5.051 9.760 ( -13.908 -5.081 0.000) 14.807 10.244 ( -12.042 1.167 0.000) 12.098 10.503 ( -10.151 -4.563 0.000) 11.130 10.552 ( 1.054 0.825 0.000) 1.338 10.949 ( -7.124 3.295 0.000) 7.849 11.179 ( -14.588 -0.773 0.000) 14.608 11.297 ( -8.119 -3.530 0.000) 8.853 11.336 ( -6.165 0.268 0.000) 6.171 11.410 ( 12.107 0.119 0.000) 12.107 11.979 ( -10.534 -1.338 0.000) 10.619 12.242 ( 7.850 -1.126 0.000) 7.930 12.497 ( 5.788 1.664 0.000) 6.023 12.758 ( 29.963 -0.176 0.000) 29.963 13.450 ( 24.639 0.410 0.000) 24.643 13.533 ( -6.495 1.072 0.000) 6.583 13.614 ( -0.866 -0.534 0.000) 1.017 15.573 ( 6.493 3.514 0.000) 7.383 16.153 ( -6.119 -4.812 0.000) 7.785 16.792 ( 10.572 2.391 0.000) 10.839 17.436 ( 2.749 -2.318 0.000) 3.595 ======================= Grid point 72 (52/219) ======================= q-point: (-0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -3.010 3.681 0.000) 4.755 2.643 ( -4.957 -0.144 0.000) 4.959 2.666 ( -3.126 -6.642 0.000) 7.341 3.053 ( -2.776 1.122 0.000) 2.995 3.076 ( -8.006 6.981 0.000) 10.622 3.260 ( -10.449 6.528 0.000) 12.320 3.297 ( -2.555 -6.625 0.000) 7.101 3.705 ( -9.804 -0.048 0.000) 9.804 3.781 ( -6.135 -17.461 0.000) 18.507 4.433 ( -5.943 0.505 0.000) 5.964 4.558 ( 1.596 1.927 0.000) 2.502 4.886 ( -7.255 5.049 0.000) 8.839 5.003 ( -6.041 -2.979 0.000) 6.735 5.076 ( 2.696 -2.936 0.000) 3.986 5.647 ( -17.910 3.800 0.000) 18.309 5.667 ( -15.500 0.161 0.000) 15.501 5.952 ( -13.277 6.876 0.000) 14.952 6.218 ( -22.814 -0.402 0.000) 22.817 7.726 ( 5.131 2.845 0.000) 5.866 7.879 ( 2.440 0.880 0.000) 2.594 9.258 ( -8.209 -7.437 0.000) 11.076 9.537 ( 1.483 -3.411 0.000) 3.719 9.555 ( -9.890 -5.167 0.000) 11.158 10.045 ( -9.200 -3.045 0.000) 9.691 10.290 ( -13.565 -6.500 0.000) 15.041 10.560 ( -1.137 -0.984 0.000) 1.503 10.686 ( -14.861 4.031 0.000) 15.398 10.927 ( -14.284 1.401 0.000) 14.353 11.172 ( -7.949 -9.891 0.000) 12.689 11.256 ( -1.916 1.266 0.000) 2.296 11.674 ( 14.671 0.965 0.000) 14.702 11.864 ( -2.940 -2.263 0.000) 3.710 12.372 ( 4.240 -2.477 0.000) 4.910 12.603 ( 7.662 3.977 0.000) 8.632 13.337 ( -12.948 0.889 0.000) 12.978 13.358 ( 31.656 0.828 0.000) 31.667 13.603 ( -0.941 0.336 0.000) 1.000 13.932 ( 26.045 1.963 0.000) 26.119 15.695 ( 7.592 3.087 0.000) 8.196 16.078 ( -4.439 -8.135 0.000) 9.267 16.987 ( 11.485 4.234 0.000) 12.240 17.529 ( 4.950 -4.519 0.000) 6.703 ======================= Grid point 73 (53/219) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -7.381 10.191 0.000) 12.583 2.569 ( -3.643 -0.520 0.000) 3.680 2.601 ( -7.642 -4.053 0.000) 8.651 2.876 ( -9.647 10.151 0.000) 14.004 3.012 ( -2.376 -2.999 0.000) 3.826 3.081 ( -5.221 -3.763 0.000) 6.436 3.306 ( -1.871 -7.549 0.000) 7.777 3.423 ( -18.734 -0.776 0.000) 18.750 3.661 ( -15.753 -13.973 0.000) 21.057 4.275 ( -12.076 -2.580 0.000) 12.348 4.433 ( -14.019 3.514 0.000) 14.453 4.636 ( -13.027 14.129 0.000) 19.218 4.945 ( -4.641 -6.101 0.000) 7.666 5.116 ( -9.333 -3.003 0.000) 9.804 5.214 ( -19.199 0.727 0.000) 19.212 5.369 ( -4.849 5.803 0.000) 7.562 5.739 ( -21.916 3.839 0.000) 22.250 5.872 ( 0.965 -2.218 0.000) 2.419 7.802 ( 4.813 2.713 0.000) 5.525 7.917 ( 2.225 2.187 0.000) 3.120 9.099 ( -12.373 -4.970 0.000) 13.334 9.444 ( -6.010 -5.261 0.000) 7.987 9.577 ( 0.569 1.405 0.000) 1.516 9.901 ( -9.846 -6.211 0.000) 11.642 10.155 ( -3.713 -12.215 0.000) 12.767 10.321 ( -16.784 3.045 0.000) 17.058 10.566 ( -12.289 -4.845 0.000) 13.209 10.636 ( -6.177 -1.439 0.000) 6.343 11.102 ( -6.762 -13.338 0.000) 14.954 11.223 ( -1.186 2.872 0.000) 3.107 11.863 ( 1.351 -0.594 0.000) 1.476 11.934 ( 12.561 2.396 0.000) 12.788 12.407 ( -2.837 -3.159 0.000) 4.246 12.740 ( 9.095 5.060 0.000) 10.408 13.059 ( -13.907 1.581 0.000) 13.996 13.566 ( -2.617 0.359 0.000) 2.642 13.937 ( 29.522 3.141 0.000) 29.689 14.399 ( 23.349 3.147 0.000) 23.560 15.795 ( 5.093 2.597 0.000) 5.717 16.135 ( 4.626 -11.641 0.000) 12.527 17.175 ( 11.125 5.895 0.000) 12.590 17.679 ( 7.187 -6.892 0.000) 9.958 ======================= Grid point 74 (54/219) ======================= q-point: (-0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -8.400 15.149 0.000) 17.322 2.442 ( -9.998 -3.014 0.000) 10.442 2.498 ( -3.427 1.664 0.000) 3.810 2.561 ( -15.401 14.398 0.000) 21.083 2.941 ( -28.033 -2.429 0.000) 28.138 2.993 ( -2.538 -4.883 0.000) 5.503 3.051 ( -6.395 -7.070 0.000) 9.533 3.375 ( 0.252 -7.807 0.000) 7.811 3.426 ( -13.785 -17.490 0.000) 22.270 3.950 ( -21.704 2.372 0.000) 21.833 4.005 ( -26.260 1.396 0.000) 26.297 4.235 ( -19.897 16.654 0.000) 25.947 4.512 ( -34.480 3.737 0.000) 34.682 4.898 ( -1.945 -2.870 0.000) 3.468 5.254 ( 0.876 -5.589 0.000) 5.657 5.347 ( -11.100 3.656 0.000) 11.687 5.383 ( 5.961 3.025 0.000) 6.685 5.988 ( 6.364 -6.359 0.000) 8.996 7.888 ( 5.736 1.679 0.000) 5.977 7.937 ( 1.447 2.412 0.000) 2.812 8.850 ( -15.451 -1.523 0.000) 15.526 9.322 ( -10.455 -2.766 0.000) 10.815 9.501 ( -8.503 1.992 0.000) 8.733 9.773 ( -4.344 -2.823 0.000) 5.181 9.973 ( -18.002 5.405 0.000) 18.796 10.247 ( 2.009 -14.311 0.000) 14.451 10.285 ( -12.493 -6.260 0.000) 13.974 10.661 ( -1.773 -13.706 0.000) 13.820 11.069 ( -5.385 -16.114 0.000) 16.990 11.149 ( -4.496 4.879 0.000) 6.634 11.919 ( 5.562 2.774 0.000) 6.215 12.041 ( -0.987 7.457 0.000) 7.522 12.370 ( 0.715 -5.642 0.000) 5.687 12.827 ( -10.069 1.141 0.000) 10.133 12.879 ( 7.988 4.665 0.000) 9.250 13.515 ( -1.918 -0.161 0.000) 1.924 14.432 ( 24.244 5.897 0.000) 24.951 14.751 ( 14.765 2.705 0.000) 15.011 15.932 ( 11.376 0.981 0.000) 11.418 16.330 ( 7.320 -11.014 0.000) 13.225 17.345 ( 10.329 6.398 0.000) 12.150 17.874 ( 8.236 -8.269 0.000) 11.671 ======================= Grid point 75 (55/219) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -6.976 20.071 0.000) 21.249 2.124 ( -21.629 13.133 0.000) 25.304 2.288 ( -7.949 -4.784 0.000) 9.277 2.373 ( -28.277 1.145 0.000) 28.300 2.426 ( -4.514 3.381 0.000) 5.640 2.827 ( -14.957 1.437 0.000) 15.026 2.977 ( -4.345 -6.630 0.000) 7.927 3.292 ( -16.482 -2.900 0.000) 16.735 3.351 ( -13.877 -0.869 0.000) 13.904 3.540 ( -11.343 -5.885 0.000) 12.779 3.634 ( -7.317 -8.921 0.000) 11.537 3.697 ( -25.836 10.698 0.000) 27.963 3.871 ( -28.882 -1.601 0.000) 28.926 4.899 ( 0.479 -0.432 0.000) 0.645 5.084 ( -4.963 13.166 0.000) 14.071 5.430 ( 4.801 -9.994 0.000) 11.087 5.493 ( 5.899 0.561 0.000) 5.925 6.157 ( 5.880 -10.123 0.000) 11.707 7.955 ( 1.983 1.532 0.000) 2.506 8.009 ( 7.580 0.690 0.000) 7.612 8.534 ( -17.240 1.148 0.000) 17.279 9.077 ( -15.567 -2.088 0.000) 15.706 9.212 ( -20.531 1.300 0.000) 20.572 9.566 ( -19.920 5.613 0.000) 20.696 9.774 ( 2.760 0.760 0.000) 2.863 10.207 ( -1.945 -9.841 0.000) 10.032 10.293 ( -2.951 -1.889 0.000) 3.504 10.706 ( -2.103 -18.042 0.000) 18.165 11.034 ( -4.101 0.785 0.000) 4.175 11.085 ( -3.997 -19.110 0.000) 19.524 11.930 ( -2.790 5.640 0.000) 6.292 12.056 ( 10.769 4.487 0.000) 11.667 12.464 ( 3.128 -2.813 0.000) 4.207 12.618 ( -10.211 2.844 0.000) 10.600 12.979 ( 4.803 3.935 0.000) 6.209 13.520 ( 1.588 -2.926 0.000) 3.330 14.760 ( 12.840 7.027 0.000) 14.637 14.961 ( 10.520 3.411 0.000) 11.060 16.190 ( 13.705 0.311 0.000) 13.708 16.509 ( 5.624 -7.971 0.000) 9.755 17.492 ( 8.627 6.066 0.000) 10.546 18.076 ( 7.312 -8.962 0.000) 11.567 ======================= Grid point 76 (56/219) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -21.932 14.906 0.000) 26.518 1.675 ( -3.844 23.785 0.000) 24.093 1.838 ( -22.597 4.327 0.000) 23.008 2.212 ( -2.687 -4.583 0.000) 5.313 2.354 ( -0.788 7.630 0.000) 7.670 2.573 ( -9.960 -0.455 0.000) 9.971 2.764 ( -16.157 0.796 0.000) 16.177 2.892 ( -15.178 32.056 0.000) 35.467 3.133 ( -3.074 -14.149 0.000) 14.479 3.223 ( -18.092 1.551 0.000) 18.158 3.289 ( -17.716 1.194 0.000) 17.756 3.669 ( 0.589 -11.594 0.000) 11.609 3.735 ( -0.432 -28.998 0.000) 29.002 4.909 ( 0.691 1.491 0.000) 1.643 4.942 ( -1.343 16.675 0.000) 16.729 5.561 ( 3.333 -6.768 0.000) 7.544 5.587 ( 3.403 -1.555 0.000) 3.742 6.320 ( 3.700 -13.506 0.000) 14.003 8.008 ( 4.731 1.309 0.000) 4.909 8.105 ( -3.643 7.904 0.000) 8.703 8.268 ( -1.138 -2.672 0.000) 2.904 8.735 ( -24.157 7.962 0.000) 25.435 8.789 ( -15.013 -2.286 0.000) 15.186 9.201 ( -13.849 3.840 0.000) 14.372 9.827 ( 2.154 -0.103 0.000) 2.157 10.219 ( 0.909 15.057 0.000) 15.085 10.265 ( -0.268 -14.441 0.000) 14.444 10.839 ( 5.484 -18.683 0.000) 19.471 10.982 ( -4.840 -10.546 0.000) 11.604 11.117 ( -5.206 -20.690 0.000) 21.335 11.901 ( 2.255 4.909 0.000) 5.403 12.243 ( 9.763 3.798 0.000) 10.475 12.370 ( -8.577 3.409 0.000) 9.230 12.550 ( 1.012 -0.047 0.000) 1.013 13.015 ( 1.397 3.754 0.000) 4.006 13.590 ( 2.498 -4.960 0.000) 5.554 14.857 ( 2.849 5.969 0.000) 6.614 15.117 ( 7.738 7.219 0.000) 10.582 16.358 ( 2.768 -0.836 0.000) 2.891 16.663 ( 6.989 -3.352 0.000) 7.751 17.593 ( 5.071 5.680 0.000) 7.614 18.246 ( 4.468 -9.605 0.000) 10.593 ======================= Grid point 77 (57/219) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.000 20.305 0.000) 20.305 1.500 ( -0.000 28.538 0.000) 28.538 1.553 ( -0.000 5.127 0.000) 5.127 2.199 ( -0.000 12.711 0.000) 12.711 2.301 ( -0.000 9.974 0.000) 9.974 2.468 ( 0.000 -1.616 0.000) 1.616 2.567 ( -0.000 16.945 0.000) 16.945 2.582 ( -0.000 0.136 0.000) 0.136 3.035 ( -0.000 0.292 0.000) 0.292 3.100 ( -0.000 1.336 0.000) 1.336 3.206 ( 0.000 -17.479 0.000) 17.479 3.745 ( 0.000 -11.429 0.000) 11.429 3.914 ( 0.000 -30.191 0.000) 30.191 4.828 ( -0.000 18.740 0.000) 18.740 4.902 ( -0.000 3.366 0.000) 3.366 5.622 ( 0.000 -2.386 0.000) 2.386 5.635 ( 0.000 -3.328 0.000) 3.328 6.443 ( 0.000 -15.504 0.000) 15.504 7.925 ( -0.000 12.796 0.000) 12.796 8.100 ( -0.000 0.395 0.000) 0.395 8.349 ( -0.000 16.958 0.000) 16.958 8.398 ( 0.000 -4.464 0.000) 4.464 8.592 ( 0.000 -0.759 0.000) 0.759 9.042 ( -0.000 2.708 0.000) 2.708 9.851 ( 0.000 -1.163 0.000) 1.163 10.136 ( -0.000 19.295 0.000) 19.295 10.356 ( 0.000 -17.784 0.000) 17.784 11.003 ( 0.000 -15.708 0.000) 15.708 11.095 ( 0.000 -14.832 0.000) 14.832 11.116 ( 0.000 -26.723 0.000) 26.723 11.907 ( -0.000 5.133 0.000) 5.133 12.256 ( -0.000 3.343 0.000) 3.343 12.327 ( -0.000 3.446 0.000) 3.446 12.558 ( -0.000 0.116 0.000) 0.116 13.002 ( -0.000 4.144 0.000) 4.144 13.646 ( 0.000 -4.580 0.000) 4.580 14.842 ( -0.000 6.417 0.000) 6.417 15.146 ( -0.000 8.945 0.000) 8.945 16.366 ( -0.000 0.170 0.000) 0.170 16.758 ( 0.000 -2.016 0.000) 2.016 17.610 ( -0.000 5.460 0.000) 5.460 18.347 ( 0.000 -9.864 0.000) 9.864 ======================= Grid point 86 (58/219) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 1.061 -0.000 0.000) 1.061 2.656 ( -2.912 0.000 0.000) 2.912 2.749 ( -4.938 0.000 0.000) 4.938 3.206 ( -6.875 0.000 0.000) 6.875 3.250 ( -2.089 0.000 0.000) 2.089 3.368 ( -9.968 0.000 0.000) 9.968 3.557 ( -3.140 0.000 0.000) 3.140 3.590 ( -7.620 0.000 0.000) 7.620 3.812 ( -1.624 0.000 0.000) 1.624 4.463 ( 7.433 -0.000 0.000) 7.433 4.507 ( 0.065 -0.000 0.000) 0.065 4.949 ( 5.745 -0.000 0.000) 5.745 5.040 ( -5.337 0.000 0.000) 5.337 5.146 ( -9.072 0.000 0.000) 9.072 5.882 ( -8.920 0.000 0.000) 8.920 6.000 ( -14.612 0.000 0.000) 14.612 6.342 ( -14.398 0.000 0.000) 14.398 6.571 ( -15.696 0.000 0.000) 15.696 7.644 ( 6.400 -0.000 0.000) 6.400 7.844 ( 1.496 -0.000 0.000) 1.496 9.349 ( -9.758 0.000 0.000) 9.758 9.508 ( -3.510 0.000 0.000) 3.510 9.730 ( -13.239 0.000 0.000) 13.239 10.252 ( -13.136 0.000 0.000) 13.136 10.475 ( -9.809 0.000 0.000) 9.809 10.558 ( 0.748 -0.000 0.000) 0.748 10.968 ( -5.731 0.000 0.000) 5.731 11.175 ( -15.753 0.000 0.000) 15.753 11.275 ( -8.774 0.000 0.000) 8.774 11.335 ( -6.125 0.000 0.000) 6.125 11.414 ( 12.491 -0.000 0.000) 12.491 11.971 ( -10.931 0.000 0.000) 10.931 12.235 ( 7.545 -0.000 0.000) 7.545 12.506 ( 6.533 -0.000 0.000) 6.533 12.758 ( 29.889 -0.000 0.000) 29.889 13.452 ( 24.909 -0.000 0.000) 24.909 13.540 ( -7.951 0.000 0.000) 7.951 13.611 ( 0.588 -0.000 0.000) 0.588 15.595 ( 6.015 -0.000 0.000) 6.015 16.123 ( -6.297 0.000 0.000) 6.297 16.807 ( 10.775 -0.000 0.000) 10.775 17.422 ( 2.490 -0.000 0.000) 2.490 ======================= Grid point 88 (59/219) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -0.838 0.492 0.000) 0.972 2.609 ( -2.779 -2.682 0.000) 3.862 2.650 ( -5.186 0.681 0.000) 5.230 3.077 ( -5.126 2.203 0.000) 5.579 3.121 ( -12.884 1.493 0.000) 12.971 3.230 ( -1.725 -4.058 0.000) 4.410 3.391 ( -6.469 14.549 0.000) 15.923 3.581 ( -5.080 -16.837 0.000) 17.587 3.705 ( -10.116 0.003 0.000) 10.116 4.428 ( -8.038 -0.576 0.000) 8.059 4.575 ( 2.720 0.816 0.000) 2.840 4.955 ( -2.338 5.990 0.000) 6.430 4.977 ( -7.775 -1.208 0.000) 7.868 5.030 ( 0.475 -4.767 0.000) 4.791 5.669 ( -14.773 0.065 0.000) 14.773 5.677 ( -17.249 1.331 0.000) 17.300 6.011 ( -15.959 2.853 0.000) 16.212 6.211 ( -21.807 -0.580 0.000) 21.815 7.748 ( 4.942 1.002 0.000) 5.043 7.886 ( 2.903 0.337 0.000) 2.922 9.199 ( -7.421 -2.618 0.000) 7.869 9.506 ( 2.635 -1.495 0.000) 3.030 9.513 ( -9.629 -1.933 0.000) 9.821 10.025 ( -10.560 -0.636 0.000) 10.579 10.237 ( -14.159 -2.441 0.000) 14.368 10.555 ( -1.312 -0.048 0.000) 1.313 10.713 ( -17.878 0.904 0.000) 17.901 10.969 ( -9.538 5.206 0.000) 10.866 11.068 ( -11.970 -7.723 0.000) 14.245 11.265 ( -1.472 0.311 0.000) 1.505 11.684 ( 14.917 0.590 0.000) 14.929 11.845 ( -2.591 -0.872 0.000) 2.733 12.352 ( 4.063 -0.968 0.000) 4.177 12.635 ( 7.927 1.395 0.000) 8.049 13.344 ( -12.462 0.345 0.000) 12.466 13.365 ( 32.354 0.358 0.000) 32.356 13.605 ( -1.167 0.061 0.000) 1.169 13.946 ( 26.430 0.557 0.000) 26.436 15.726 ( 8.043 1.790 0.000) 8.240 16.006 ( -6.145 -3.569 0.000) 7.106 17.022 ( 11.977 1.662 0.000) 12.092 17.491 ( 4.243 -1.775 0.000) 4.599 ======================= Grid point 89 (60/219) ======================= q-point: (-0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -4.999 6.322 0.000) 8.060 2.562 ( -3.457 -0.581 0.000) 3.505 2.565 ( -4.289 -2.064 0.000) 4.760 2.899 ( -10.210 -2.709 0.000) 10.563 2.990 ( -3.580 -0.765 0.000) 3.660 3.153 ( -9.824 12.131 0.000) 15.610 3.228 ( -2.025 -5.452 0.000) 5.816 3.417 ( -18.998 -0.242 0.000) 19.000 3.507 ( -12.417 -12.462 0.000) 17.592 4.243 ( -12.007 -2.475 0.000) 12.259 4.468 ( -14.580 2.379 0.000) 14.773 4.791 ( -10.079 12.372 0.000) 15.958 4.886 ( -3.846 -3.819 0.000) 5.420 5.048 ( -3.022 -7.828 0.000) 8.391 5.231 ( -28.073 1.534 0.000) 28.115 5.420 ( -5.657 2.993 0.000) 6.400 5.769 ( -22.100 1.496 0.000) 22.151 5.857 ( -0.214 -0.469 0.000) 0.516 7.827 ( 4.254 1.493 0.000) 4.509 7.938 ( 2.543 1.327 0.000) 2.869 9.058 ( -9.685 -2.309 0.000) 9.956 9.391 ( -5.328 -3.624 0.000) 6.444 9.589 ( 3.646 0.735 0.000) 3.720 9.853 ( -8.505 -2.308 0.000) 8.813 10.035 ( -7.560 -7.827 0.000) 10.882 10.348 ( -17.161 1.682 0.000) 17.243 10.509 ( -8.321 -4.208 0.000) 9.324 10.662 ( -14.285 4.631 0.000) 15.017 10.962 ( -6.936 -10.401 0.000) 12.502 11.248 ( -0.520 1.490 0.000) 1.579 11.857 ( 2.816 -0.385 0.000) 2.842 11.956 ( 13.574 1.394 0.000) 13.645 12.380 ( -2.547 -1.539 0.000) 2.975 12.786 ( 8.719 2.711 0.000) 9.131 13.074 ( -14.208 1.013 0.000) 14.244 13.567 ( -2.748 -0.115 0.000) 2.751 13.967 ( 30.588 1.866 0.000) 30.645 14.426 ( 23.197 1.525 0.000) 23.247 15.838 ( 4.695 4.805 0.000) 6.718 16.009 ( 4.309 -9.899 0.000) 10.796 17.235 ( 11.689 4.103 0.000) 12.388 17.610 ( 6.310 -4.685 0.000) 7.859 ======================= Grid point 90 (61/219) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -6.277 12.026 0.000) 13.566 2.440 ( -8.075 2.526 0.000) 8.461 2.505 ( -3.048 -0.434 0.000) 3.079 2.678 ( -16.269 5.206 0.000) 17.082 2.910 ( -20.375 -1.787 0.000) 20.453 2.958 ( -9.799 -2.317 0.000) 10.070 2.973 ( -4.455 -6.500 0.000) 7.880 3.267 ( -17.247 -8.866 0.000) 19.392 3.291 ( 0.190 -6.287 0.000) 6.290 3.966 ( -18.056 0.675 0.000) 18.068 4.021 ( -28.249 1.237 0.000) 28.276 4.430 ( -19.361 15.417 0.000) 24.750 4.560 ( -33.688 5.652 0.000) 34.158 4.861 ( -0.883 -3.141 0.000) 3.263 5.123 ( 0.078 -14.861 0.000) 14.862 5.404 ( -12.726 4.501 0.000) 13.499 5.418 ( 4.815 2.680 0.000) 5.510 5.935 ( 5.470 -3.102 0.000) 6.288 7.903 ( 4.755 0.943 0.000) 4.848 7.958 ( 0.466 1.262 0.000) 1.346 8.844 ( -13.132 0.269 0.000) 13.135 9.290 ( -9.096 -2.600 0.000) 9.460 9.534 ( -8.748 3.830 0.000) 9.549 9.760 ( -0.673 0.421 0.000) 0.794 10.035 ( -15.323 5.160 0.000) 16.169 10.075 ( 2.749 -14.733 0.000) 14.987 10.231 ( -14.954 -3.538 0.000) 15.366 10.523 ( -6.034 -9.479 0.000) 11.236 10.903 ( -5.864 -12.146 0.000) 13.488 11.200 ( -3.520 3.673 0.000) 5.088 11.946 ( 6.959 1.846 0.000) 7.200 12.123 ( 0.962 6.525 0.000) 6.596 12.312 ( -0.015 -4.481 0.000) 4.481 12.837 ( -9.887 0.666 0.000) 9.909 12.924 ( 7.195 3.025 0.000) 7.805 13.510 ( -3.001 -0.619 0.000) 3.064 14.492 ( 25.505 4.410 0.000) 25.884 14.774 ( 13.637 1.221 0.000) 13.691 15.953 ( 11.310 2.819 0.000) 11.656 16.208 ( 8.470 -9.882 0.000) 13.015 17.417 ( 10.410 5.944 0.000) 11.987 17.783 ( 7.785 -7.251 0.000) 10.639 ======================= Grid point 91 (62/219) ======================= q-point: (-0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -5.241 16.895 0.000) 17.689 2.238 ( -21.172 5.807 0.000) 21.954 2.276 ( -9.376 4.343 0.000) 10.333 2.371 ( -28.366 -1.036 0.000) 28.385 2.456 ( -2.603 1.575 0.000) 3.043 2.849 ( -14.140 1.892 0.000) 14.266 2.915 ( -2.911 -3.790 0.000) 4.779 3.138 ( -3.501 -24.726 0.000) 24.972 3.268 ( -12.508 -1.686 0.000) 12.621 3.537 ( -14.826 -7.479 0.000) 16.606 3.574 ( -20.006 3.310 0.000) 20.278 3.873 ( -31.528 1.146 0.000) 31.548 3.930 ( -21.115 27.176 0.000) 34.415 4.878 ( 0.637 -2.570 0.000) 2.648 5.216 ( -3.130 9.235 0.000) 9.751 5.255 ( 1.700 -19.589 0.000) 19.663 5.510 ( 5.448 2.034 0.000) 5.815 6.068 ( 5.349 -5.482 0.000) 7.659 7.956 ( -0.158 -1.173 0.000) 1.183 8.009 ( 6.600 -0.549 0.000) 6.623 8.562 ( -14.821 3.240 0.000) 15.171 9.054 ( -15.747 -1.917 0.000) 15.863 9.253 ( -17.269 5.459 0.000) 18.111 9.637 ( -20.578 6.416 0.000) 21.555 9.788 ( 3.105 1.730 0.000) 3.554 10.122 ( -1.935 -4.620 0.000) 5.009 10.219 ( 3.815 -10.009 0.000) 10.711 10.500 ( -3.326 -17.259 0.000) 17.577 10.885 ( -4.272 -15.017 0.000) 15.613 11.071 ( -6.861 4.592 0.000) 8.256 12.001 ( -3.424 6.458 0.000) 7.309 12.102 ( 10.547 3.306 0.000) 11.053 12.433 ( 5.405 -2.654 0.000) 6.022 12.649 ( -9.425 2.382 0.000) 9.721 13.018 ( 4.189 2.736 0.000) 5.003 13.482 ( -0.608 -3.340 0.000) 3.395 14.837 ( 11.670 6.232 0.000) 13.230 14.989 ( 12.221 1.305 0.000) 12.291 16.197 ( 12.701 1.103 0.000) 12.749 16.419 ( 8.525 -7.438 0.000) 11.314 17.564 ( 8.442 6.193 0.000) 10.470 17.975 ( 7.039 -8.444 0.000) 10.993 ======================= Grid point 92 (63/219) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -19.996 10.883 0.000) 22.765 1.847 ( -19.418 4.365 0.000) 19.903 1.967 ( -3.742 19.044 0.000) 19.409 2.158 ( -3.766 -1.647 0.000) 4.110 2.418 ( -0.422 3.148 0.000) 3.176 2.569 ( -12.119 -0.427 0.000) 12.127 2.774 ( -15.270 0.979 0.000) 15.302 3.005 ( -5.532 -7.501 0.000) 9.320 3.168 ( -8.711 2.818 0.000) 9.155 3.254 ( -12.223 -6.532 0.000) 13.859 3.360 ( -17.919 10.305 0.000) 20.670 3.478 ( -7.443 6.016 0.000) 9.571 3.530 ( 0.103 -12.476 0.000) 12.477 4.905 ( 0.630 -1.804 0.000) 1.911 5.113 ( -0.881 12.847 0.000) 12.878 5.414 ( 2.230 -18.574 0.000) 18.708 5.586 ( 3.186 1.109 0.000) 3.374 6.192 ( 3.268 -8.338 0.000) 8.955 7.985 ( 1.686 -4.672 0.000) 4.967 8.160 ( 7.326 -0.005 0.000) 7.326 8.274 ( -10.061 4.899 0.000) 11.190 8.763 ( -14.786 -2.269 0.000) 14.959 8.847 ( -18.120 11.035 0.000) 21.216 9.252 ( -14.499 4.816 0.000) 15.278 9.826 ( 1.106 0.138 0.000) 1.114 10.127 ( -1.873 -9.165 0.000) 9.355 10.348 ( 8.381 5.281 0.000) 9.906 10.621 ( 4.631 -18.293 0.000) 18.870 10.899 ( -10.029 -2.712 0.000) 10.389 10.901 ( -3.984 -16.448 0.000) 16.924 11.969 ( 3.382 7.028 0.000) 7.799 12.281 ( 8.822 2.743 0.000) 9.239 12.406 ( -8.361 2.896 0.000) 8.848 12.553 ( 1.393 0.242 0.000) 1.414 13.052 ( 1.214 2.724 0.000) 2.983 13.522 ( 1.217 -6.528 0.000) 6.640 14.920 ( 2.622 4.906 0.000) 5.563 15.190 ( 8.778 5.280 0.000) 10.243 16.345 ( 2.720 -1.214 0.000) 2.978 16.626 ( 8.812 -2.980 0.000) 9.303 17.660 ( 4.951 5.873 0.000) 7.682 18.136 ( 4.201 -9.193 0.000) 10.107 ======================= Grid point 93 (64/219) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 15.655 0.000) 15.655 1.608 ( -0.000 4.264 0.000) 4.264 1.812 ( -0.000 25.105 0.000) 25.105 2.152 ( 0.000 -7.132 0.000) 7.132 2.395 ( -0.000 6.012 0.000) 6.012 2.449 ( 0.000 -1.595 0.000) 1.595 2.584 ( -0.000 0.149 0.000) 0.149 2.997 ( -0.000 43.218 0.000) 43.218 3.030 ( 0.000 -12.381 0.000) 12.381 3.039 ( -0.000 0.349 0.000) 0.349 3.115 ( -0.000 1.120 0.000) 1.120 3.562 ( 0.000 -29.373 0.000) 29.373 3.606 ( 0.000 -12.452 0.000) 12.452 4.918 ( 0.000 -0.484 0.000) 0.484 5.025 ( -0.000 15.178 0.000) 15.178 5.533 ( 0.000 -13.575 0.000) 13.575 5.615 ( 0.000 -0.225 0.000) 0.225 6.283 ( 0.000 -11.518 0.000) 11.518 8.055 ( 0.000 -7.134 0.000) 7.134 8.072 ( -0.000 12.172 0.000) 12.172 8.338 ( 0.000 -5.839 0.000) 5.839 8.550 ( -0.000 17.366 0.000) 17.366 8.582 ( 0.000 -0.942 0.000) 0.942 9.080 ( -0.000 3.831 0.000) 3.831 9.836 ( 0.000 -0.898 0.000) 0.898 10.173 ( 0.000 -13.416 0.000) 13.416 10.382 ( -0.000 21.391 0.000) 21.391 10.822 ( 0.000 -15.323 0.000) 15.323 10.824 ( 0.000 -23.162 0.000) 23.162 10.925 ( 0.000 -14.211 0.000) 14.211 11.979 ( -0.000 7.622 0.000) 7.622 12.288 ( -0.000 2.178 0.000) 2.178 12.360 ( -0.000 2.324 0.000) 2.324 12.565 ( -0.000 0.893 0.000) 0.893 13.044 ( -0.000 3.144 0.000) 3.144 13.578 ( 0.000 -6.963 0.000) 6.963 14.913 ( -0.000 5.540 0.000) 5.540 15.239 ( -0.000 7.033 0.000) 7.033 16.364 ( 0.000 -0.474 0.000) 0.474 16.734 ( 0.000 -2.145 0.000) 2.145 17.675 ( -0.000 5.704 0.000) 5.704 18.233 ( 0.000 -9.741 0.000) 9.741 ======================= Grid point 104 (65/219) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.787 0.000 0.000) 2.787 2.553 ( -2.358 0.000 0.000) 2.358 2.557 ( -4.657 0.000 0.000) 4.657 2.879 ( -11.900 0.000 0.000) 11.900 2.988 ( -4.272 0.000 0.000) 4.272 3.193 ( -1.965 0.000 0.000) 1.965 3.258 ( -15.037 0.000 0.000) 15.037 3.405 ( -6.801 0.000 0.000) 6.801 3.416 ( -19.045 0.000 0.000) 19.045 4.227 ( -11.768 0.000 0.000) 11.768 4.483 ( -14.921 0.000 0.000) 14.921 4.862 ( -3.488 0.000 0.000) 3.488 4.897 ( -10.698 0.000 0.000) 10.698 4.968 ( -1.631 0.000 0.000) 1.631 5.241 ( -28.993 0.000 0.000) 28.993 5.438 ( -5.885 0.000 0.000) 5.885 5.777 ( -21.984 0.000 0.000) 21.984 5.855 ( -0.851 0.000 0.000) 0.851 7.836 ( 4.049 -0.000 0.000) 4.049 7.946 ( 2.633 -0.000 0.000) 2.633 9.044 ( -8.585 0.000 0.000) 8.585 9.368 ( -5.180 0.000 0.000) 5.180 9.593 ( 5.531 -0.000 0.000) 5.531 9.841 ( -8.030 0.000 0.000) 8.030 9.987 ( -9.716 0.000 0.000) 9.716 10.359 ( -17.662 0.000 0.000) 17.662 10.482 ( -7.905 0.000 0.000) 7.905 10.703 ( -17.447 0.000 0.000) 17.447 10.890 ( -5.394 0.000 0.000) 5.394 11.257 ( -0.243 0.000 0.000) 0.243 11.855 ( 3.357 -0.000 0.000) 3.357 11.964 ( 13.793 -0.000 0.000) 13.793 12.372 ( -2.311 0.000 0.000) 2.311 12.802 ( 8.589 -0.000 0.000) 8.589 13.080 ( -14.332 0.000 0.000) 14.332 13.566 ( -2.800 0.000 0.000) 2.800 13.978 ( 30.967 -0.000 0.000) 30.967 14.435 ( 23.155 -0.000 0.000) 23.155 15.905 ( 9.706 -0.000 0.000) 9.706 15.911 ( -0.973 0.000 0.000) 0.973 17.260 ( 12.115 -0.000 0.000) 12.115 17.581 ( 5.775 -0.000 0.000) 5.775 ======================= Grid point 106 (66/219) ======================= q-point: (-0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -4.801 6.591 0.000) 8.155 2.486 ( -5.025 3.944 0.000) 6.388 2.489 ( -3.469 -2.252 0.000) 4.136 2.685 ( -10.435 -2.381 0.000) 10.703 2.906 ( -20.565 0.802 0.000) 20.580 2.914 ( -17.423 -2.794 0.000) 17.646 2.931 ( -8.755 -2.236 0.000) 9.036 3.216 ( -14.237 -1.169 0.000) 14.284 3.238 ( -0.405 -2.475 0.000) 2.507 3.969 ( -16.182 0.107 0.000) 16.182 4.032 ( -29.276 0.495 0.000) 29.281 4.530 ( -30.075 2.516 0.000) 30.180 4.693 ( -17.681 15.352 0.000) 23.416 4.834 ( -0.350 -1.269 0.000) 1.316 4.936 ( -6.414 -16.110 0.000) 17.340 5.440 ( 4.330 1.005 0.000) 4.445 5.440 ( -11.258 1.643 0.000) 11.377 5.912 ( 5.037 -0.898 0.000) 5.116 7.910 ( 4.096 0.292 0.000) 4.106 7.967 ( -0.439 0.348 0.000) 0.560 8.850 ( -11.780 0.414 0.000) 11.787 9.266 ( -8.029 -1.145 0.000) 8.111 9.579 ( -8.246 2.888 0.000) 8.737 9.780 ( 2.280 2.743 0.000) 3.567 9.927 ( 1.582 -9.311 0.000) 9.444 10.089 ( -9.651 3.782 0.000) 10.366 10.192 ( -19.322 -3.102 0.000) 19.570 10.452 ( -10.380 -2.693 0.000) 10.723 10.800 ( -5.440 -4.921 0.000) 7.335 11.229 ( -2.825 1.313 0.000) 3.115 11.961 ( 7.710 0.648 0.000) 7.737 12.189 ( 6.486 4.536 0.000) 7.915 12.264 ( -4.690 -3.646 0.000) 5.940 12.842 ( -9.873 0.217 0.000) 9.875 12.948 ( 6.752 1.055 0.000) 6.834 13.504 ( -3.579 -0.317 0.000) 3.593 14.529 ( 26.496 1.705 0.000) 26.551 14.782 ( 12.651 0.251 0.000) 12.653 15.994 ( 11.280 3.680 0.000) 11.865 16.110 ( 9.124 -6.226 0.000) 11.046 17.474 ( 10.791 3.120 0.000) 11.233 17.716 ( 7.214 -3.590 0.000) 8.058 ======================= Grid point 107 (67/219) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -18.011 2.440 0.000) 18.176 2.290 ( -4.110 11.063 0.000) 11.802 2.358 ( -25.935 -0.462 0.000) 25.939 2.380 ( -10.792 12.343 0.000) 16.395 2.458 ( -4.760 -1.470 0.000) 4.981 2.818 ( -4.151 -16.860 0.000) 17.364 2.889 ( -2.117 -1.097 0.000) 2.385 2.903 ( -16.943 -5.521 0.000) 17.819 3.248 ( -3.939 -1.633 0.000) 4.264 3.469 ( -24.967 -4.065 0.000) 25.295 3.597 ( -21.281 1.031 0.000) 21.306 3.884 ( -32.700 0.763 0.000) 32.709 4.276 ( -12.591 31.033 0.000) 33.490 4.850 ( 0.734 -1.993 0.000) 2.124 4.981 ( -1.782 -26.495 0.000) 26.555 5.303 ( -2.680 5.166 0.000) 5.819 5.532 ( 5.254 1.519 0.000) 5.469 6.024 ( 5.152 -2.288 0.000) 5.638 7.937 ( -2.361 -1.552 0.000) 2.826 8.001 ( 5.473 -0.699 0.000) 5.518 8.598 ( -13.089 2.570 0.000) 13.339 9.035 ( -15.822 -1.246 0.000) 15.871 9.323 ( -15.080 5.733 0.000) 16.133 9.708 ( -21.813 5.322 0.000) 22.452 9.816 ( 2.580 2.994 0.000) 3.952 10.091 ( 7.950 -10.721 0.000) 13.347 10.100 ( 0.645 0.639 0.000) 0.908 10.318 ( -5.717 -13.425 0.000) 14.592 10.746 ( -4.196 -8.631 0.000) 9.597 11.119 ( -7.345 3.196 0.000) 8.011 12.073 ( -3.432 5.378 0.000) 6.380 12.131 ( 10.337 1.750 0.000) 10.484 12.402 ( 6.870 -2.455 0.000) 7.295 12.672 ( -8.516 1.397 0.000) 8.630 13.042 ( 3.768 1.426 0.000) 4.028 13.448 ( -2.503 -2.301 0.000) 3.400 14.902 ( 9.292 4.720 0.000) 10.422 14.991 ( 14.865 -0.796 0.000) 14.887 16.217 ( 10.338 2.253 0.000) 10.581 16.341 ( 12.168 -5.835 0.000) 13.495 17.632 ( 8.321 5.336 0.000) 9.885 17.886 ( 6.873 -6.565 0.000) 9.504 ======================= Grid point 108 (68/219) ======================= q-point: (-0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -18.289 6.472 0.000) 19.401 1.876 ( -20.316 1.537 0.000) 20.374 2.167 ( -1.091 13.973 0.000) 14.016 2.201 ( -3.658 9.238 0.000) 9.936 2.431 ( -0.163 -0.210 0.000) 0.266 2.564 ( -13.439 -0.277 0.000) 13.442 2.788 ( -13.267 1.264 0.000) 13.327 2.963 ( -8.452 -0.170 0.000) 8.453 2.966 ( 0.242 -27.521 0.000) 27.522 3.214 ( -16.256 0.068 0.000) 16.256 3.349 ( -21.190 -0.165 0.000) 21.191 3.385 ( -0.252 -12.064 0.000) 12.067 3.880 ( -6.517 40.479 0.000) 41.000 4.877 ( 0.631 -2.508 0.000) 2.586 5.138 ( 0.615 -27.861 0.000) 27.868 5.239 ( -0.484 7.895 0.000) 7.910 5.605 ( 3.088 1.816 0.000) 3.582 6.123 ( 3.090 -3.915 0.000) 4.987 7.921 ( -1.075 -5.504 0.000) 5.608 8.135 ( 7.384 -2.866 0.000) 7.921 8.347 ( -9.585 6.021 0.000) 11.319 8.738 ( -14.588 -1.804 0.000) 14.699 8.975 ( -14.480 10.321 0.000) 17.782 9.308 ( -15.177 4.616 0.000) 15.863 9.831 ( 0.285 0.632 0.000) 0.694 10.054 ( -3.880 -3.579 0.000) 5.279 10.340 ( 13.143 -4.870 0.000) 14.016 10.429 ( 5.320 -14.218 0.000) 15.181 10.739 ( -2.674 -11.276 0.000) 11.589 10.913 ( -12.167 3.496 0.000) 12.659 12.059 ( 5.142 7.902 0.000) 9.428 12.306 ( 7.995 1.641 0.000) 8.162 12.439 ( -7.077 2.993 0.000) 7.684 12.549 ( 0.449 -1.114 0.000) 1.201 13.078 ( 1.106 1.697 0.000) 2.025 13.446 ( -0.369 -6.161 0.000) 6.172 14.968 ( 2.264 3.187 0.000) 3.909 15.239 ( 9.605 3.175 0.000) 10.117 16.332 ( 2.724 -0.986 0.000) 2.897 16.596 ( 10.132 -2.125 0.000) 10.352 17.727 ( 4.768 5.685 0.000) 7.420 18.036 ( 4.106 -7.898 0.000) 8.902 ======================= Grid point 109 (69/219) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.000 10.676 0.000) 10.676 1.650 ( -0.000 2.992 0.000) 2.992 2.071 ( -0.000 18.770 0.000) 18.770 2.127 ( -0.000 3.642 0.000) 3.642 2.432 ( 0.000 -1.334 0.000) 1.334 2.439 ( -0.000 2.043 0.000) 2.043 2.585 ( -0.000 0.129 0.000) 0.129 2.931 ( 0.000 -4.507 0.000) 4.507 3.043 ( -0.000 0.310 0.000) 0.310 3.126 ( -0.000 0.794 0.000) 0.794 3.147 ( 0.000 -27.275 0.000) 27.275 3.459 ( 0.000 -12.821 0.000) 12.821 3.575 ( -0.000 40.959 0.000) 40.959 4.898 ( 0.000 -2.491 0.000) 2.491 5.176 ( -0.000 10.537 0.000) 10.537 5.307 ( 0.000 -24.778 0.000) 24.778 5.625 ( -0.000 1.652 0.000) 1.652 6.182 ( 0.000 -6.014 0.000) 6.014 7.958 ( 0.000 -8.661 0.000) 8.661 8.199 ( -0.000 9.543 0.000) 9.543 8.269 ( 0.000 -5.784 0.000) 5.784 8.571 ( 0.000 -1.063 0.000) 1.063 8.741 ( -0.000 15.039 0.000) 15.039 9.129 ( -0.000 4.395 0.000) 4.395 9.831 ( 0.000 -0.152 0.000) 0.152 10.049 ( 0.000 -8.036 0.000) 8.036 10.588 ( 0.000 -17.280 0.000) 17.280 10.602 ( -0.000 15.655 0.000) 15.655 10.655 ( 0.000 -13.049 0.000) 13.049 10.773 ( 0.000 -11.766 0.000) 11.766 12.089 ( -0.000 11.349 0.000) 11.349 12.308 ( -0.000 1.224 0.000) 1.224 12.382 ( -0.000 1.363 0.000) 1.363 12.571 ( 0.000 -0.279 0.000) 0.279 13.075 ( -0.000 2.185 0.000) 2.185 13.489 ( 0.000 -8.085 0.000) 8.085 14.968 ( -0.000 3.946 0.000) 3.946 15.308 ( -0.000 4.819 0.000) 4.819 16.357 ( 0.000 -0.652 0.000) 0.652 16.710 ( 0.000 -1.894 0.000) 1.894 17.742 ( -0.000 5.687 0.000) 5.687 18.125 ( 0.000 -8.756 0.000) 8.756 ======================= Grid point 122 (70/219) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -19.053 0.000 0.000) 19.053 2.336 ( -15.529 0.000 0.000) 15.529 2.394 ( -17.552 0.000 0.000) 17.552 2.429 ( -1.474 0.000 0.000) 1.474 2.528 ( -6.103 0.000 0.000) 6.103 2.618 ( -6.855 0.000 0.000) 6.855 2.883 ( -1.727 0.000 0.000) 1.727 2.895 ( -18.624 0.000 0.000) 18.624 3.237 ( 0.641 -0.000 0.000) 0.641 3.445 ( -30.028 0.000 0.000) 30.028 3.602 ( -21.604 0.000 0.000) 21.604 3.889 ( -32.939 0.000 0.000) 32.939 4.586 ( -5.307 0.000 0.000) 5.307 4.697 ( -7.605 0.000 0.000) 7.605 4.837 ( 0.756 -0.000 0.000) 0.756 5.333 ( -2.371 0.000 0.000) 2.371 5.542 ( 5.216 -0.000 0.000) 5.216 6.011 ( 5.094 -0.000 0.000) 5.094 7.927 ( -3.236 0.000 0.000) 3.236 7.996 ( 5.009 -0.000 0.000) 5.009 8.614 ( -12.511 0.000 0.000) 12.511 9.027 ( -15.828 0.000 0.000) 15.828 9.361 ( -14.548 0.000 0.000) 14.548 9.742 ( -22.949 0.000 0.000) 22.949 9.842 ( 1.012 -0.000 0.000) 1.012 10.014 ( 10.820 -0.000 0.000) 10.820 10.119 ( 7.284 -0.000 0.000) 7.284 10.222 ( -11.577 0.000 0.000) 11.577 10.694 ( -4.079 0.000 0.000) 4.079 11.139 ( -7.351 0.000 0.000) 7.351 12.108 ( -3.485 0.000 0.000) 3.485 12.142 ( 10.253 -0.000 0.000) 10.253 12.385 ( 7.573 -0.000 0.000) 7.573 12.680 ( -8.120 0.000 0.000) 8.120 13.051 ( 3.617 -0.000 0.000) 3.617 13.434 ( -3.289 0.000 0.000) 3.289 14.936 ( 4.736 -0.000 0.000) 4.736 14.980 ( 19.500 -0.000 0.000) 19.500 16.238 ( 6.178 -0.000 0.000) 6.178 16.299 ( 16.779 -0.000 0.000) 16.779 17.670 ( 8.365 -0.000 0.000) 8.365 17.841 ( 6.732 -0.000 0.000) 6.732 ======================= Grid point 124 (71/219) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -19.766 0.447 0.000) 19.771 1.907 ( -17.132 2.096 0.000) 17.260 2.273 ( -2.705 4.186 0.000) 4.984 2.364 ( -2.888 17.732 0.000) 17.966 2.430 ( 1.555 0.281 0.000) 1.580 2.562 ( -14.192 -0.082 0.000) 14.193 2.655 ( -1.044 -24.232 0.000) 24.254 2.800 ( -11.299 0.695 0.000) 11.320 2.983 ( -11.249 2.415 0.000) 11.505 3.215 ( -16.444 0.093 0.000) 16.444 3.268 ( 0.175 -6.633 0.000) 6.635 3.351 ( -21.367 0.158 0.000) 21.368 4.340 ( -3.312 38.178 0.000) 38.321 4.773 ( -1.248 -34.097 0.000) 34.120 4.855 ( 0.619 -1.088 0.000) 1.251 5.303 ( -0.422 2.888 0.000) 2.919 5.621 ( 3.081 0.809 0.000) 3.185 6.095 ( 3.034 -1.163 0.000) 3.249 7.873 ( -2.471 -2.290 0.000) 3.369 8.109 ( 6.378 -1.252 0.000) 6.500 8.397 ( -8.611 2.323 0.000) 8.919 8.723 ( -14.493 -0.724 0.000) 14.511 9.065 ( -13.170 4.346 0.000) 13.869 9.349 ( -15.728 2.034 0.000) 15.859 9.838 ( -0.539 0.433 0.000) 0.692 10.036 ( -6.507 -0.178 0.000) 6.510 10.283 ( 14.737 -3.338 0.000) 15.110 10.307 ( 7.692 -5.980 0.000) 9.743 10.648 ( -1.958 -4.138 0.000) 4.577 10.948 ( -11.666 1.796 0.000) 11.803 12.132 ( 6.363 3.723 0.000) 7.373 12.319 ( 7.515 0.544 0.000) 7.535 12.478 ( -2.453 3.513 0.000) 4.284 12.524 ( -3.715 -2.966 0.000) 4.754 13.091 ( 1.054 0.581 0.000) 1.204 13.392 ( -1.630 -2.659 0.000) 3.119 14.993 ( 1.985 1.101 0.000) 2.270 15.263 ( 10.097 1.055 0.000) 10.152 16.324 ( 2.719 -0.367 0.000) 2.744 16.579 ( 10.836 -0.782 0.000) 10.864 17.784 ( 4.599 3.470 0.000) 5.761 17.961 ( 4.131 -4.246 0.000) 5.924 ======================= Grid point 125 (72/219) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.000 1.530 0.000) 1.530 1.705 ( -0.000 5.435 0.000) 5.435 2.222 ( -0.000 6.759 0.000) 6.759 2.238 ( -0.000 15.141 0.000) 15.141 2.419 ( 0.000 -0.785 0.000) 0.785 2.470 ( -0.000 4.068 0.000) 4.068 2.587 ( -0.000 0.075 0.000) 0.075 2.806 ( 0.000 -28.865 0.000) 28.865 2.915 ( -0.000 0.841 0.000) 0.841 3.046 ( -0.000 0.183 0.000) 0.183 3.133 ( -0.000 0.408 0.000) 0.408 3.320 ( 0.000 -10.217 0.000) 10.217 4.071 ( -0.000 42.333 0.000) 42.333 4.870 ( 0.000 -2.000 0.000) 2.000 4.964 ( 0.000 -33.156 0.000) 33.156 5.275 ( -0.000 5.711 0.000) 5.711 5.645 ( -0.000 1.465 0.000) 1.465 6.135 ( 0.000 -2.468 0.000) 2.468 7.872 ( 0.000 -5.528 0.000) 5.528 8.212 ( 0.000 -3.649 0.000) 3.649 8.287 ( -0.000 5.326 0.000) 5.326 8.559 ( 0.000 -0.863 0.000) 0.863 8.885 ( -0.000 9.146 0.000) 9.146 9.175 ( -0.000 3.206 0.000) 3.206 9.831 ( -0.000 0.065 0.000) 0.065 9.984 ( 0.000 -3.345 0.000) 3.345 10.432 ( 0.000 -9.432 0.000) 9.432 10.531 ( 0.000 -7.941 0.000) 7.941 10.662 ( 0.000 -6.929 0.000) 6.929 10.736 ( -0.000 7.538 0.000) 7.538 12.228 ( -0.000 11.414 0.000) 11.414 12.318 ( -0.000 0.528 0.000) 0.528 12.393 ( -0.000 0.612 0.000) 0.612 12.553 ( 0.000 -2.719 0.000) 2.719 13.094 ( -0.000 1.137 0.000) 1.137 13.404 ( 0.000 -5.980 0.000) 5.980 15.003 ( -0.000 2.023 0.000) 2.023 15.350 ( -0.000 2.453 0.000) 2.453 16.350 ( 0.000 -0.428 0.000) 0.428 16.692 ( 0.000 -1.136 0.000) 1.136 17.805 ( -0.000 4.937 0.000) 4.937 18.034 ( 0.000 -6.589 0.000) 6.589 ======================= Grid point 141 (73/219) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -0.000 0.000 0.000) 0.000 1.736 ( -0.000 0.000 0.000) 0.000 2.252 ( -0.000 0.000 0.000) 0.000 2.414 ( -0.000 0.000 0.000) 0.000 2.419 ( -0.000 0.000 0.000) 0.000 2.504 ( -0.000 0.000 0.000) 0.000 2.546 ( 0.000 -0.000 0.000) 0.000 2.587 ( -0.000 0.000 0.000) 0.000 2.926 ( -0.000 0.000 0.000) 0.000 3.047 ( -0.000 0.000 0.000) 0.000 3.135 ( -0.000 0.000 0.000) 0.000 3.253 ( -0.000 0.000 0.000) 0.000 4.513 ( 0.000 -0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.858 ( -0.000 0.000 0.000) 0.000 5.309 ( -0.000 0.000 0.000) 0.000 5.654 ( -0.000 0.000 0.000) 0.000 6.121 ( -0.000 0.000 0.000) 0.000 7.839 ( -0.000 0.000 0.000) 0.000 8.190 ( -0.000 0.000 0.000) 0.000 8.318 ( -0.000 0.000 0.000) 0.000 8.553 ( -0.000 0.000 0.000) 0.000 8.940 ( -0.000 0.000 0.000) 0.000 9.195 ( -0.000 0.000 0.000) 0.000 9.831 ( -0.000 0.000 0.000) 0.000 9.966 ( -0.000 0.000 0.000) 0.000 10.376 ( -0.000 0.000 0.000) 0.000 10.483 ( -0.000 0.000 0.000) 0.000 10.621 ( -0.000 0.000 0.000) 0.000 10.779 ( -0.000 0.000 0.000) 0.000 12.308 ( -0.000 0.000 0.000) 0.000 12.321 ( -0.000 0.000 0.000) 0.000 12.396 ( -0.000 0.000 0.000) 0.000 12.527 ( -0.000 0.000 0.000) 0.000 13.101 ( -0.000 0.000 0.000) 0.000 13.366 ( -0.000 0.000 0.000) 0.000 15.015 ( -0.000 0.000 0.000) 0.000 15.364 ( -0.000 0.000 0.000) 0.000 16.348 ( -0.000 0.000 0.000) 0.000 16.685 ( -0.000 0.000 0.000) 0.000 17.840 ( -0.000 0.000 0.000) 0.000 17.989 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 265 (74/219) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 0.000 22.013) 22.013 0.588 ( 0.000 0.000 31.079) 31.079 0.924 ( 0.000 0.000 49.469) 49.469 1.307 ( 0.000 0.000 -7.572) 7.572 1.906 ( 0.000 0.000 -12.638) 12.638 2.522 ( 0.000 0.000 0.824) 0.824 2.574 ( 0.000 0.000 -0.525) 0.525 3.038 ( 0.000 0.000 0.118) 0.118 3.048 ( 0.000 0.000 -0.124) 0.124 3.290 ( 0.000 0.000 -31.982) 31.982 3.691 ( 0.000 0.000 8.303) 8.303 3.985 ( 0.000 0.000 5.486) 5.486 4.618 ( 0.000 0.000 -3.491) 3.491 4.628 ( 0.000 0.000 4.456) 4.456 4.995 ( 0.000 0.000 1.587) 1.587 5.049 ( 0.000 0.000 -10.519) 10.519 6.022 ( 0.000 0.000 16.838) 16.838 6.838 ( 0.000 0.000 -7.966) 7.966 7.587 ( 0.000 0.000 2.475) 2.475 7.800 ( 0.000 0.000 3.555) 3.555 7.847 ( 0.000 0.000 -4.488) 4.488 8.018 ( 0.000 0.000 -2.183) 2.183 8.661 ( 0.000 0.000 5.004) 5.004 8.963 ( 0.000 0.000 -3.005) 3.005 9.175 ( 0.000 0.000 7.663) 7.663 9.972 ( 0.000 0.000 -14.294) 14.294 11.118 ( 0.000 0.000 10.314) 10.314 11.508 ( 0.000 0.000 0.605) 0.605 11.563 ( 0.000 0.000 -0.776) 0.776 11.664 ( 0.000 0.000 -6.145) 6.145 12.085 ( 0.000 0.000 0.819) 0.819 12.144 ( 0.000 0.000 -0.648) 0.648 12.178 ( 0.000 0.000 5.332) 5.332 12.607 ( 0.000 0.000 -7.992) 7.992 12.674 ( 0.000 0.000 3.261) 3.261 12.812 ( 0.000 0.000 1.909) 1.909 14.733 ( 0.000 0.000 0.144) 0.144 14.764 ( 0.000 0.000 -0.521) 0.521 16.069 ( 0.000 0.000 3.463) 3.463 16.366 ( 0.000 0.000 -3.956) 3.956 18.656 ( 0.000 0.000 2.274) 2.274 18.815 ( 0.000 0.000 -1.710) 1.710 ======================= Grid point 266 (75/219) ======================= q-point: ( 0.06 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 17.623 3.401 23.273) 29.390 0.913 ( 19.851 -14.240 22.844) 33.447 1.357 ( 42.821 -10.540 22.913) 49.696 1.646 ( 30.072 -1.130 -6.279) 30.742 1.938 ( 4.943 -1.713 -7.296) 8.978 2.633 ( 10.458 0.442 -0.796) 10.497 2.736 ( 15.799 0.091 -0.620) 15.811 3.114 ( 6.833 3.380 -7.007) 10.355 3.223 ( 17.334 -0.363 -1.272) 17.385 3.384 ( 13.409 12.072 -13.609) 22.600 3.624 ( -1.830 -9.607 -2.907) 10.203 3.981 ( -0.536 -2.110 1.501) 2.644 4.358 ( -7.155 14.596 10.849) 19.544 4.613 ( -3.567 -8.812 4.168) 10.380 4.874 ( -2.865 15.214 -1.084) 15.519 5.085 ( -2.750 -15.017 -7.796) 17.142 5.978 ( -4.638 0.619 16.673) 17.318 6.779 ( -5.327 2.733 -7.677) 9.736 7.679 ( 2.531 -2.937 2.764) 4.761 7.952 ( -0.758 1.016 -4.560) 4.733 8.341 ( 38.348 -1.862 -2.051) 38.448 8.702 ( 21.959 14.538 -3.378) 26.552 8.842 ( 22.761 -4.474 -12.419) 26.312 9.150 ( 17.089 7.574 -1.870) 18.786 9.315 ( 11.866 -18.179 -4.672) 22.207 10.016 ( 4.881 0.421 -13.691) 14.541 11.023 ( -7.220 4.629 8.028) 11.748 11.361 ( -9.097 6.267 0.509) 11.059 11.424 ( -7.229 -1.486 7.898) 10.809 11.721 ( 3.128 1.820 -3.583) 5.093 12.018 ( -11.112 -1.449 -2.478) 11.476 12.072 ( 6.731 -1.584 -8.108) 10.657 12.159 ( -0.243 3.031 4.984) 5.838 12.644 ( -1.992 -2.444 -8.251) 8.833 12.719 ( 3.510 -0.685 5.483) 6.546 13.263 ( 19.658 -3.835 -20.615) 28.743 14.672 ( -7.022 -1.841 1.269) 7.370 14.777 ( -0.267 -2.035 -1.171) 2.363 16.229 ( 9.974 -3.416 -13.612) 17.217 16.313 ( -5.817 -0.973 -3.786) 7.008 18.245 ( -31.037 8.852 31.379) 45.014 18.581 ( -7.376 1.180 1.216) 7.568 ======================= Grid point 267 (76/219) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 20.567 -1.126 14.622) 25.260 1.374 ( 19.908 -17.684 17.949) 32.112 2.089 ( 11.537 -1.316 -6.161) 13.145 2.279 ( 30.930 -1.615 -7.592) 31.889 2.330 ( 46.000 -5.560 8.923) 47.186 2.849 ( 13.145 3.540 -5.289) 14.604 3.116 ( 22.135 0.434 -0.904) 22.158 3.302 ( 17.322 5.983 -3.485) 18.655 3.571 ( 7.907 -0.083 -2.354) 8.251 3.654 ( 24.639 -0.246 0.260) 24.642 3.735 ( 7.587 1.700 0.673) 7.804 4.078 ( 9.842 -9.096 -16.086) 20.937 4.187 ( -0.971 15.344 8.973) 17.802 4.595 ( -0.967 4.767 -3.945) 6.263 4.768 ( -0.373 0.901 7.928) 7.988 5.100 ( -4.397 -14.000 -5.759) 15.764 5.843 ( -8.388 2.171 15.956) 18.157 6.607 ( -10.125 4.877 -7.046) 13.265 7.750 ( 2.753 -2.780 1.417) 4.161 7.892 ( -5.088 -1.276 -2.254) 5.710 8.796 ( 15.109 4.632 0.102) 15.804 9.122 ( 14.508 3.226 -11.908) 19.044 9.329 ( 18.164 2.547 3.153) 18.611 9.480 ( 33.960 1.481 5.588) 34.449 9.627 ( 18.466 -8.069 6.958) 21.319 10.134 ( 7.752 1.199 -8.124) 11.293 10.855 ( -5.139 8.179 4.780) 10.778 11.178 ( -7.484 3.576 -4.888) 9.628 11.351 ( -0.314 3.500 5.593) 6.606 11.716 ( -2.367 3.544 -3.824) 5.726 11.821 ( -8.427 -3.207 0.584) 9.036 12.092 ( -0.192 8.622 5.103) 10.020 12.335 ( 13.696 -3.861 -11.664) 18.399 12.595 ( -5.042 -4.852 -7.619) 10.345 12.793 ( 4.311 0.949 8.446) 9.530 13.427 ( -0.329 -0.804 -10.428) 10.464 14.486 ( -13.824 -3.565 2.860) 14.560 14.732 ( -6.864 -2.667 -2.715) 7.848 16.160 ( -9.891 0.227 -2.261) 10.149 16.375 ( 3.231 -2.112 -20.782) 21.138 17.764 ( -17.688 3.064 28.924) 34.042 18.391 ( -10.565 2.761 -1.335) 11.002 ======================= Grid point 268 (77/219) ======================= q-point: ( 0.19 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 19.373 -4.639 8.381) 21.612 1.853 ( 19.679 -13.913 11.483) 26.696 2.315 ( 12.010 0.580 -6.347) 13.596 2.704 ( 11.902 -0.714 -14.556) 18.816 3.003 ( 22.282 7.628 5.159) 24.110 3.281 ( 31.430 0.465 -2.881) 31.565 3.470 ( 10.012 -3.696 -1.458) 10.772 3.672 ( 16.183 2.507 1.692) 16.464 3.697 ( 13.541 7.019 6.764) 16.685 3.844 ( 11.203 0.424 -0.383) 11.218 4.104 ( 15.241 2.799 0.033) 15.496 4.172 ( 8.968 5.990 2.622) 11.099 4.388 ( 12.870 -9.060 -13.121) 20.491 4.609 ( 12.731 10.847 -5.582) 17.632 4.940 ( 16.324 -9.915 6.245) 20.094 5.090 ( -3.473 -10.852 -2.483) 11.661 5.642 ( -10.631 2.781 14.632) 18.299 6.345 ( -13.633 5.638 -6.309) 16.046 7.781 ( -6.626 -1.590 -0.041) 6.814 7.802 ( 0.685 -1.728 -0.301) 1.883 9.085 ( 17.827 3.084 1.256) 18.135 9.316 ( 7.681 -1.038 -6.522) 10.130 9.546 ( 10.980 3.710 5.511) 12.833 9.861 ( 17.020 -0.253 6.285) 18.145 10.162 ( 16.500 9.270 -3.334) 19.217 10.418 ( 21.721 -5.242 0.736) 22.357 10.767 ( 1.646 8.233 2.372) 8.724 11.033 ( -5.699 2.463 -8.283) 10.351 11.327 ( 0.639 8.991 4.225) 9.955 11.657 ( 0.625 5.427 -4.790) 7.265 11.738 ( -3.530 -5.380 6.112) 8.874 12.054 ( 1.510 6.206 8.056) 10.281 12.447 ( -8.635 -7.290 -9.545) 14.792 12.664 ( 12.481 -1.776 -9.134) 15.568 12.871 ( 5.234 5.725 8.846) 11.765 13.364 ( -5.094 -2.951 -3.558) 6.879 14.196 ( -18.107 -3.556 3.510) 18.784 14.519 ( -17.394 -3.374 -4.137) 18.194 15.958 ( -10.083 1.087 -0.212) 10.144 16.387 ( -2.239 -0.127 -20.984) 21.103 17.466 ( -13.071 1.139 23.784) 27.163 18.166 ( -10.696 3.485 -3.306) 11.726 ======================= Grid point 269 (78/219) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 15.992 -5.485 4.452) 17.482 2.258 ( 14.548 -10.093 6.184) 18.755 2.536 ( 12.091 2.689 -6.394) 13.939 2.873 ( 7.910 -0.537 -10.856) 13.443 3.239 ( 7.488 6.662 3.581) 10.643 3.489 ( -1.589 6.273 -9.019) 11.101 3.633 ( 6.761 6.687 3.287) 10.061 3.874 ( 8.364 -1.417 2.907) 8.967 3.923 ( 7.032 8.122 9.041) 14.041 4.213 ( 18.482 4.665 -1.134) 19.095 4.262 ( 13.390 -0.540 -2.288) 13.595 4.466 ( 23.032 -2.068 -2.284) 23.237 4.733 ( 11.037 -11.111 -6.036) 16.784 4.930 ( 21.423 0.098 -3.299) 21.676 5.152 ( 8.030 -6.258 6.748) 12.213 5.347 ( 2.389 -3.584 4.675) 6.357 5.519 ( 15.989 -0.618 4.668) 16.668 6.042 ( -13.992 4.311 -5.321) 15.578 7.656 ( -7.265 -2.750 1.797) 7.973 7.811 ( -0.603 -1.124 -1.927) 2.311 9.431 ( 18.533 2.750 0.294) 18.738 9.473 ( 9.549 -1.633 0.229) 9.690 9.719 ( 9.957 6.001 6.029) 13.096 10.149 ( 11.526 0.206 1.443) 11.617 10.371 ( 13.611 9.040 -6.365) 17.535 10.657 ( 1.997 3.175 4.259) 5.675 10.862 ( 10.490 6.040 2.025) 12.273 10.956 ( 2.604 5.141 -12.343) 13.622 11.258 ( -2.286 9.128 5.531) 10.915 11.638 ( -0.223 5.272 -7.245) 8.963 11.729 ( -0.926 -0.687 5.660) 5.776 12.089 ( 2.750 -1.120 12.897) 13.234 12.292 ( -10.558 -7.918 -6.449) 14.689 12.803 ( -4.451 3.351 1.784) 5.851 12.955 ( 12.012 5.462 -2.664) 13.462 13.356 ( 1.957 -6.502 -3.626) 7.698 13.852 ( -18.919 -1.393 4.365) 19.466 14.125 ( -24.930 -4.881 -3.793) 25.685 15.779 ( -8.175 0.268 1.245) 8.273 16.308 ( -5.014 1.796 -20.271) 20.959 17.234 ( -10.729 0.650 21.318) 23.874 17.947 ( -9.826 3.992 -4.318) 11.451 ======================= Grid point 270 (79/219) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 11.033 -5.268 2.380) 12.456 2.509 ( 7.358 -5.058 -0.786) 8.963 2.744 ( 10.733 2.725 -2.921) 11.452 3.044 ( 8.612 -2.915 -5.975) 10.880 3.288 ( 4.001 7.294 4.773) 9.591 3.390 ( -3.793 6.830 -9.040) 11.948 3.670 ( 1.471 4.478 1.529) 4.955 3.814 ( -1.750 12.614 1.434) 12.815 4.078 ( 3.176 -9.282 8.909) 13.252 4.456 ( 11.497 8.860 -2.536) 14.735 4.524 ( 9.060 2.531 0.290) 9.412 4.756 ( 0.530 -12.330 -8.880) 15.204 5.054 ( 21.495 5.207 2.409) 22.247 5.169 ( -3.828 -2.522 9.395) 10.453 5.352 ( 20.831 -4.224 -3.933) 21.616 5.543 ( 11.377 -6.821 3.650) 13.758 5.789 ( 2.400 2.526 0.395) 3.506 6.069 ( 24.251 -4.723 -3.687) 24.980 7.542 ( -6.526 -4.125 3.117) 8.326 7.800 ( -1.057 -1.186 -3.184) 3.558 9.640 ( 9.871 0.027 3.706) 10.543 9.787 ( 12.647 1.109 0.698) 12.714 9.880 ( 16.274 11.583 4.984) 20.588 10.267 ( 1.775 3.915 -6.561) 7.844 10.564 ( 4.589 3.138 3.620) 6.633 10.618 ( 5.135 7.949 -8.324) 12.603 10.925 ( 4.211 11.037 -0.711) 11.835 11.121 ( 5.659 9.040 0.384) 10.672 11.202 ( 7.460 -1.823 6.455) 10.032 11.564 ( -3.615 5.782 -7.529) 10.158 11.702 ( -1.738 0.026 2.958) 3.431 12.117 ( -1.551 1.499 13.170) 13.345 12.183 ( -3.558 -8.143 -5.925) 10.681 12.600 ( -12.053 1.927 6.896) 14.020 13.083 ( -3.435 1.066 -12.720) 13.219 13.416 ( -6.648 -4.331 -9.071) 12.052 13.541 ( -6.145 -0.053 8.889) 10.807 13.722 ( -16.342 -5.188 2.262) 17.294 15.632 ( -7.490 -0.239 1.911) 7.733 16.197 ( -4.746 2.324 -19.765) 20.459 17.049 ( -8.257 0.281 20.100) 21.731 17.746 ( -8.673 3.984 -4.524) 10.562 ======================= Grid point 271 (80/219) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 6.674 -4.808 1.146) 8.305 2.625 ( 3.251 -1.957 -4.442) 5.842 2.886 ( 5.539 2.851 0.992) 6.308 3.174 ( 2.183 0.953 1.990) 3.104 3.291 ( -1.791 4.530 -10.834) 11.878 3.377 ( 9.034 4.031 0.646) 9.913 3.665 ( 2.612 5.624 3.900) 7.326 3.749 ( -0.439 2.998 0.157) 3.034 4.138 ( -1.559 -6.541 6.296) 9.212 4.462 ( -5.128 4.192 -2.871) 7.219 4.591 ( 2.333 9.835 1.322) 10.194 4.779 ( -4.292 -7.369 -4.471) 9.629 5.157 ( 4.772 -3.281 4.707) 7.463 5.382 ( 8.109 6.863 -0.663) 10.644 5.597 ( 7.165 -8.820 0.369) 11.370 5.784 ( 17.612 -1.483 -5.194) 18.422 6.090 ( 18.008 -2.957 8.503) 20.133 6.532 ( 19.921 -3.852 -4.237) 20.728 7.456 ( -5.091 -4.678 4.107) 8.042 7.787 ( -0.917 -1.022 -4.039) 4.266 9.813 ( 6.606 5.838 3.765) 9.586 9.875 ( 4.871 7.057 6.308) 10.645 10.202 ( -1.906 4.410 -7.896) 9.242 10.234 ( 21.397 9.058 -0.055) 23.235 10.528 ( -2.408 1.718 -4.123) 5.074 10.740 ( 4.220 1.174 3.942) 5.893 10.946 ( 6.917 8.596 -0.078) 11.033 11.121 ( -1.591 -0.526 -0.627) 1.789 11.415 ( 8.683 2.616 5.737) 10.731 11.497 ( 1.934 5.205 -3.870) 6.768 11.671 ( 0.059 4.065 2.376) 4.709 12.076 ( 0.623 -0.383 3.023) 3.111 12.187 ( -3.398 -2.002 -4.164) 5.735 12.395 ( -6.986 -2.982 7.284) 10.524 12.741 ( -25.238 0.596 -6.243) 26.005 13.168 ( -16.923 -6.803 -9.960) 20.781 13.552 ( -2.490 -0.668 6.528) 7.019 13.653 ( 5.554 -0.147 1.282) 5.702 15.486 ( -7.455 0.921 2.821) 8.024 16.114 ( -2.791 0.989 -20.058) 20.275 16.919 ( -5.192 -0.213 19.326) 20.012 17.577 ( -6.650 3.015 -4.180) 8.413 ======================= Grid point 272 (81/219) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 3.486 -3.671 -0.065) 5.063 2.670 ( 1.065 -0.159 -5.294) 5.403 2.938 ( 1.744 1.600 3.688) 4.382 3.151 ( -1.302 2.130 3.716) 4.477 3.249 ( -0.363 5.547 -5.904) 8.109 3.534 ( 6.308 -0.456 -4.758) 7.915 3.744 ( 3.342 0.857 1.114) 3.626 3.755 ( 6.017 -0.334 4.136) 7.310 4.091 ( -5.654 -0.834 2.662) 6.305 4.310 ( -7.078 2.771 -2.684) 8.061 4.538 ( -1.281 6.646 1.833) 7.012 4.715 ( -4.870 -5.469 -2.536) 7.750 5.279 ( 4.938 -1.276 2.627) 5.737 5.439 ( 2.286 0.244 -1.219) 2.602 5.806 ( 8.221 -1.449 2.018) 8.589 6.063 ( 9.905 -1.133 -6.473) 11.886 6.379 ( 9.922 -2.154 9.146) 13.665 6.851 ( 11.145 -1.970 -4.590) 12.213 7.401 ( -3.110 -3.405 4.911) 6.737 7.777 ( -0.545 -0.513 -4.414) 4.476 9.766 ( -2.494 8.221 2.282) 8.889 9.915 ( 0.615 7.214 2.255) 7.583 10.244 ( 8.259 -2.276 -0.686) 8.594 10.452 ( -1.436 2.508 3.994) 4.930 10.601 ( 18.750 9.335 -3.843) 21.295 10.780 ( -2.846 -5.943 3.311) 7.374 10.970 ( -5.569 -0.506 4.583) 7.230 11.131 ( 7.488 2.683 -11.425) 13.921 11.512 ( 3.527 1.778 -3.888) 5.542 11.552 ( 5.757 3.531 9.496) 11.652 11.661 ( 1.207 3.797 1.666) 4.319 12.021 ( -11.649 0.672 -0.886) 11.702 12.118 ( -5.314 -0.397 -2.987) 6.109 12.313 ( -7.270 -0.365 -3.078) 7.903 12.424 ( 3.039 -3.594 4.507) 6.517 12.881 ( -16.043 -4.039 -6.453) 17.758 13.497 ( -2.787 0.177 5.325) 6.013 13.749 ( 3.455 0.019 -1.554) 3.789 15.354 ( -4.994 1.372 4.224) 6.683 16.074 ( -1.271 -0.069 -20.722) 20.761 16.851 ( -2.227 -0.361 18.728) 18.863 17.465 ( -3.578 1.467 -3.684) 5.342 ======================= Grid point 273 (82/219) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 -0.000 -0.734) 0.734 2.678 ( 0.000 0.000 -5.481) 5.481 2.948 ( 0.000 -0.000 4.677) 4.677 3.132 ( 0.000 -0.000 4.671) 4.671 3.224 ( 0.000 -0.000 -4.559) 4.559 3.593 ( 0.000 -0.000 -6.347) 6.347 3.769 ( 0.000 -0.000 3.976) 3.976 3.923 ( -0.000 0.000 0.731) 0.731 3.953 ( 0.000 -0.000 2.882) 2.882 4.218 ( 0.000 -0.000 -4.076) 4.076 4.504 ( 0.000 -0.000 2.492) 2.492 4.683 ( 0.000 -0.000 -1.861) 1.861 5.333 ( 0.000 -0.000 2.214) 2.214 5.463 ( 0.000 -0.000 -0.887) 0.887 5.891 ( 0.000 -0.000 2.101) 2.101 6.163 ( 0.000 -0.000 -6.905) 6.905 6.482 ( 0.000 -0.000 9.295) 9.295 6.966 ( 0.000 -0.000 -4.916) 4.916 7.380 ( 0.000 -0.000 5.397) 5.397 7.774 ( 0.000 -0.000 -4.475) 4.475 9.709 ( 0.000 -0.000 2.270) 2.270 9.888 ( 0.000 -0.000 -0.196) 0.196 10.400 ( 0.000 -0.000 3.541) 3.541 10.413 ( 0.000 -0.000 5.975) 5.975 10.699 ( 0.000 -0.000 -0.339) 0.339 10.849 ( 0.000 0.000 -4.862) 4.862 10.858 ( -0.000 -0.000 3.619) 3.619 11.222 ( 0.000 -0.000 -8.976) 8.976 11.579 ( 0.000 -0.000 -4.683) 4.683 11.606 ( 0.000 -0.000 6.171) 6.171 11.671 ( -0.000 0.000 -1.856) 1.856 11.823 ( 0.000 -0.000 1.205) 1.205 11.978 ( 0.000 -0.000 5.819) 5.819 12.328 ( 0.000 -0.000 -4.425) 4.425 12.571 ( 0.000 -0.000 -1.057) 1.057 12.639 ( 0.000 -0.000 -2.431) 2.431 13.466 ( 0.000 -0.000 5.143) 5.143 13.781 ( 0.000 -0.000 -2.725) 2.725 15.300 ( 0.000 -0.000 4.965) 4.965 16.063 ( 0.000 -0.000 -20.992) 20.992 16.832 ( 0.000 -0.000 18.445) 18.445 17.426 ( 0.000 -0.000 -3.460) 3.460 ======================= Grid point 283 (83/219) ======================= q-point: ( 0.06 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 17.164 -0.000 22.656) 28.424 1.231 ( 25.344 -0.000 14.050) 28.977 2.081 ( 12.026 -0.000 -4.918) 12.993 2.269 ( 31.026 -0.000 -8.540) 32.180 2.297 ( 48.850 -0.000 9.003) 49.673 2.870 ( 13.538 -0.000 -3.716) 14.039 3.120 ( 22.486 -0.000 -1.266) 22.521 3.343 ( 16.158 -0.000 -7.323) 17.739 3.572 ( 2.450 -0.000 -3.028) 3.895 3.652 ( 25.902 -0.000 -0.054) 25.902 3.739 ( 11.702 -0.000 -1.038) 11.748 4.023 ( 9.384 -0.000 -12.579) 15.694 4.307 ( -4.172 0.000 11.002) 11.766 4.549 ( 2.846 -0.000 5.171) 5.902 4.889 ( -2.539 0.000 -0.180) 2.546 4.947 ( -4.367 0.000 -7.548) 8.720 5.856 ( -8.353 0.000 15.877) 17.940 6.636 ( -10.368 0.000 -7.301) 12.681 7.733 ( 3.450 -0.000 1.622) 3.812 7.884 ( -5.068 0.000 -2.309) 5.569 8.823 ( 14.100 -0.000 -0.650) 14.115 9.145 ( 11.391 -0.000 -13.694) 17.813 9.346 ( 18.976 -0.000 3.338) 19.268 9.496 ( 43.123 -0.000 10.406) 44.361 9.569 ( 13.393 -0.000 3.680) 13.889 10.143 ( 7.186 -0.000 -9.436) 11.861 10.904 ( -5.600 0.000 4.850) 7.408 11.199 ( -9.295 0.000 -4.094) 10.156 11.370 ( 1.327 -0.000 5.870) 6.018 11.734 ( -2.699 0.000 -2.218) 3.493 11.801 ( -8.614 0.000 0.245) 8.617 12.153 ( -0.546 0.000 3.695) 3.735 12.308 ( 14.467 -0.000 -13.417) 19.731 12.560 ( -5.286 0.000 -7.348) 9.052 12.801 ( 5.171 -0.000 8.281) 9.763 13.422 ( -0.122 0.000 -10.210) 10.211 14.464 ( -13.609 0.000 2.913) 13.917 14.717 ( -6.697 0.000 -2.907) 7.301 16.162 ( -9.420 0.000 -2.132) 9.659 16.361 ( 3.988 -0.000 -21.203) 21.575 17.783 ( -19.176 0.000 29.812) 35.446 18.407 ( -10.675 0.000 -1.433) 10.770 ======================= Grid point 284 (84/219) ======================= q-point: ( 0.12 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 18.841 -0.436 13.148) 22.979 1.731 ( 23.291 -6.179 9.838) 26.027 2.319 ( 13.052 0.202 -3.868) 13.615 2.696 ( 12.740 -0.428 -18.800) 22.714 3.100 ( 26.676 8.610 6.487) 28.772 3.218 ( 25.672 -8.465 3.643) 27.276 3.481 ( 13.315 2.436 -7.892) 15.668 3.689 ( 14.511 0.656 0.872) 14.552 3.751 ( 19.274 2.219 0.261) 19.403 3.841 ( 8.386 -0.585 3.988) 9.305 4.144 ( 20.239 3.071 1.273) 20.510 4.228 ( 4.727 3.861 3.856) 7.220 4.289 ( 8.738 -6.749 -12.809) 16.911 4.757 ( 11.318 11.612 -7.225) 17.752 4.856 ( 14.424 -2.299 6.519) 15.995 4.950 ( -1.293 -12.866 -1.162) 12.983 5.665 ( -10.833 1.033 14.537) 18.159 6.390 ( -14.385 1.951 -6.622) 15.955 7.768 ( -7.009 -0.559 0.046) 7.032 7.788 ( 1.637 -0.596 -0.308) 1.769 9.108 ( 16.964 0.983 0.625) 17.004 9.307 ( 6.754 -0.473 -6.570) 9.434 9.581 ( 11.659 1.854 5.320) 12.949 9.857 ( 16.614 -0.221 8.228) 18.541 10.262 ( 16.066 7.574 -4.929) 18.433 10.351 ( 25.378 -6.041 0.772) 26.099 10.836 ( 0.267 3.195 2.887) 4.315 11.048 ( -5.820 0.407 -8.199) 10.063 11.408 ( 2.807 4.296 4.436) 6.783 11.673 ( -6.161 -1.948 1.992) 6.762 11.705 ( 2.100 0.157 2.354) 3.159 12.136 ( 0.375 5.951 4.397) 7.409 12.365 ( -10.440 -5.562 -9.346) 15.076 12.647 ( 13.282 -0.848 -9.796) 16.525 12.925 ( 8.607 2.776 7.291) 11.617 13.336 ( -7.636 -1.508 -1.983) 8.032 14.168 ( -17.211 -1.272 3.633) 17.637 14.492 ( -17.384 -1.240 -4.125) 17.909 15.967 ( -10.253 0.451 -0.306) 10.268 16.383 ( -1.459 -0.299 -21.909) 21.960 17.476 ( -13.541 0.499 24.829) 28.286 18.193 ( -10.893 1.199 -3.505) 11.505 ======================= Grid point 285 (85/219) ======================= q-point: ( 0.19 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 16.458 -2.456 7.040) 18.068 2.162 ( 17.505 -5.964 6.228) 19.513 2.566 ( 13.143 2.127 -4.103) 13.932 2.860 ( 6.360 -1.236 -18.321) 19.433 3.328 ( 7.473 8.543 4.172) 12.093 3.504 ( 0.095 -3.520 -3.356) 4.864 3.715 ( 4.835 6.575 2.790) 8.625 3.809 ( 9.647 -4.130 7.344) 12.809 4.076 ( 7.888 12.634 2.508) 15.104 4.228 ( 23.041 0.312 -1.730) 23.108 4.271 ( 10.642 -0.871 1.031) 10.727 4.431 ( 12.061 -3.635 -12.223) 17.552 4.636 ( 19.852 -5.131 -0.295) 20.507 4.932 ( 14.852 -0.265 0.711) 14.871 5.092 ( 12.737 -3.316 6.272) 14.580 5.301 ( 10.362 -3.897 -0.795) 11.099 5.521 ( 8.675 0.478 8.013) 11.820 6.081 ( -15.664 2.365 -5.618) 16.808 7.631 ( -7.689 -1.520 1.990) 8.087 7.801 ( -0.442 -0.546 -2.145) 2.257 9.447 ( 11.540 0.080 0.049) 11.541 9.461 ( 16.071 -0.214 0.039) 16.072 9.783 ( 11.549 4.410 5.829) 13.668 10.145 ( 11.663 -0.526 4.974) 12.690 10.463 ( 12.998 6.195 -9.554) 17.280 10.675 ( 4.100 0.396 4.937) 6.429 10.917 ( 10.372 3.434 2.241) 11.152 10.995 ( 2.160 1.947 -11.329) 11.696 11.379 ( -1.941 10.977 3.605) 11.716 11.607 ( -2.325 -7.049 -0.336) 7.430 11.788 ( 3.922 6.808 1.809) 8.063 12.075 ( -4.906 -1.236 4.867) 7.020 12.206 ( -7.117 -6.173 -0.691) 9.446 12.824 ( 0.191 0.633 -4.232) 4.284 13.046 ( 6.768 9.532 1.138) 11.746 13.268 ( 1.986 -8.498 -1.412) 8.841 13.842 ( -16.744 -0.355 4.115) 17.246 14.078 ( -26.033 -3.008 -3.717) 26.469 15.781 ( -8.779 0.130 1.256) 8.869 16.320 ( -4.689 0.512 -21.361) 21.875 17.242 ( -10.784 0.592 22.332) 24.806 17.983 ( -10.062 2.096 -4.630) 11.273 ======================= Grid point 286 (86/219) ======================= q-point: ( 0.25 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 11.620 -3.212 3.887) 12.667 2.455 ( 9.929 -3.955 1.441) 10.784 2.787 ( 11.473 4.383 -4.914) 13.228 3.001 ( 7.124 -4.273 -10.176) 13.137 3.371 ( 3.281 6.850 2.940) 8.145 3.452 ( -3.887 3.756 -7.146) 8.960 3.713 ( 0.397 3.382 4.018) 5.267 3.939 ( -3.622 -3.019 11.795) 12.703 4.011 ( 2.895 9.378 -1.893) 9.996 4.522 ( 4.239 0.002 -6.050) 7.387 4.561 ( 12.600 0.720 0.147) 12.622 4.627 ( 10.608 -4.491 -5.693) 12.849 5.076 ( -1.355 -4.854 8.870) 10.202 5.136 ( 21.853 1.307 5.736) 22.631 5.337 ( 16.380 0.866 -3.737) 16.823 5.473 ( 11.452 -5.195 2.091) 12.748 5.821 ( 0.046 2.747 -0.634) 2.820 6.013 ( 24.128 -4.571 -3.280) 24.776 7.502 ( -6.844 -2.794 3.468) 8.165 7.788 ( -1.033 -0.786 -3.584) 3.812 9.637 ( 10.695 -0.370 3.845) 11.371 9.793 ( 14.076 0.108 -0.148) 14.077 10.000 ( 16.463 8.671 4.477) 19.139 10.288 ( 3.291 0.198 -1.020) 3.451 10.602 ( -4.119 3.109 3.648) 6.320 10.703 ( 11.506 6.297 -11.471) 17.425 11.030 ( 5.842 6.254 -0.151) 8.560 11.191 ( 7.611 0.621 5.913) 9.658 11.246 ( 2.223 12.097 -1.854) 12.438 11.592 ( -4.923 -1.811 -7.857) 9.447 11.714 ( -2.489 2.529 2.047) 4.096 12.080 ( 1.384 -8.553 1.215) 8.749 12.134 ( -3.361 0.708 9.461) 10.066 12.623 ( -15.257 1.852 6.478) 16.678 13.100 ( -2.831 1.730 -13.548) 13.949 13.368 ( -7.904 -3.757 -9.018) 12.567 13.546 ( -7.051 1.036 7.494) 10.342 13.664 ( -13.360 -4.725 3.946) 14.710 15.630 ( -7.130 -0.126 2.122) 7.440 16.215 ( -5.331 0.968 -20.577) 21.278 17.054 ( -8.439 0.560 20.994) 22.634 17.784 ( -9.228 2.555 -4.917) 10.764 ======================= Grid point 287 (87/219) ======================= q-point: ( 0.31 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 7.182 -3.515 2.412) 8.352 2.602 ( 4.397 -1.770 -2.894) 5.553 2.928 ( 5.518 4.200 -1.503) 7.096 3.166 ( 6.486 -2.315 -2.347) 7.276 3.345 ( -3.384 5.037 -9.233) 11.048 3.421 ( 4.944 2.915 -1.012) 5.828 3.710 ( 1.468 2.508 3.325) 4.416 3.814 ( -3.874 6.547 6.196) 9.811 4.068 ( 1.358 -3.643 4.575) 6.003 4.478 ( -6.786 -2.212 -4.580) 8.480 4.678 ( -0.961 -0.165 1.068) 1.446 4.752 ( 1.650 8.290 -0.924) 8.503 5.102 ( 6.062 -6.016 3.893) 9.386 5.371 ( -5.546 -8.411 -2.987) 10.508 5.580 ( 19.963 5.543 1.914) 20.807 5.780 ( 18.158 0.416 -4.121) 18.625 6.058 ( 17.214 -2.476 7.478) 18.930 6.483 ( 20.318 -4.426 -4.242) 21.223 7.408 ( -4.721 -3.560 4.598) 7.490 7.776 ( -0.678 -0.833 -4.518) 4.644 9.854 ( 11.319 1.924 5.140) 12.579 9.951 ( 4.995 5.691 3.539) 8.358 10.250 ( -5.322 3.713 -6.208) 8.981 10.327 ( 20.478 6.435 -1.044) 21.490 10.522 ( -1.484 -1.820 3.530) 4.240 10.798 ( -2.550 7.715 -1.705) 8.302 11.050 ( 4.910 8.923 -3.057) 10.633 11.112 ( -2.196 -0.852 1.537) 2.813 11.447 ( 6.101 2.584 1.398) 6.772 11.546 ( 4.557 3.249 -0.434) 5.613 11.716 ( 2.721 3.687 -0.579) 4.619 12.066 ( -1.376 -1.251 2.792) 3.355 12.162 ( -0.107 -2.337 0.306) 2.359 12.343 ( -11.081 -5.544 9.580) 15.662 12.762 ( -26.164 2.912 -8.157) 27.561 13.090 ( -15.317 -6.451 -11.136) 20.006 13.546 ( -1.719 -0.408 6.858) 7.082 13.651 ( 6.009 -0.237 1.022) 6.100 15.501 ( -6.106 1.466 2.783) 6.869 16.121 ( -3.793 0.323 -20.193) 20.548 16.917 ( -5.595 -0.118 19.941) 20.712 17.607 ( -7.663 2.095 -4.583) 9.171 ======================= Grid point 288 (88/219) ======================= q-point: ( 0.38 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 4.210 -3.441 1.227) 5.574 2.666 ( 1.837 -0.628 -4.395) 4.805 2.964 ( 1.006 2.796 2.978) 4.207 3.187 ( -2.399 4.124 0.584) 4.806 3.311 ( 1.049 4.519 -8.003) 9.251 3.518 ( 4.368 -2.286 -5.301) 7.239 3.748 ( 0.683 0.063 4.075) 4.132 3.765 ( 4.290 1.571 6.112) 7.631 4.076 ( -2.471 -0.806 2.309) 3.476 4.330 ( -7.934 0.654 -2.182) 8.254 4.629 ( -7.449 1.796 -0.390) 7.672 4.656 ( -0.200 1.946 -0.418) 2.001 5.257 ( 5.738 -2.433 1.444) 6.398 5.379 ( -0.260 -9.258 -1.303) 9.353 5.844 ( 11.205 6.683 1.933) 13.189 6.064 ( 11.172 1.078 -5.298) 12.412 6.354 ( 10.963 -2.238 8.450) 14.022 6.817 ( 11.615 -3.681 -4.690) 13.056 7.366 ( -1.496 -2.652 5.366) 6.170 7.772 ( -0.169 -0.414 -4.772) 4.793 9.866 ( -4.529 8.756 1.121) 9.921 9.997 ( -2.398 6.920 2.844) 7.857 10.214 ( 8.471 -2.849 1.001) 8.993 10.476 ( -3.912 1.028 1.315) 4.253 10.677 ( 10.215 -1.933 -0.147) 10.397 10.721 ( 5.804 2.351 3.293) 7.075 10.974 ( -10.008 0.873 0.440) 10.056 11.170 ( 7.240 3.782 -10.903) 13.624 11.524 ( 3.008 0.578 -3.064) 4.332 11.599 ( 3.307 4.184 10.392) 11.680 11.710 ( -0.985 4.837 0.704) 4.986 12.013 ( -10.012 -1.911 3.738) 10.856 12.119 ( -3.611 0.309 -4.476) 5.760 12.298 ( -9.808 -3.450 -1.655) 10.528 12.384 ( 5.202 -1.879 1.547) 5.743 12.833 ( -14.662 -3.977 -7.300) 16.855 13.508 ( -1.779 1.545 5.350) 5.845 13.744 ( 3.044 -0.777 -1.379) 3.431 15.385 ( -4.079 3.631 3.791) 6.648 16.070 ( -1.658 -0.545 -20.383) 20.457 16.843 ( -2.533 -0.940 18.996) 19.187 17.477 ( -4.746 0.756 -3.960) 6.227 ======================= Grid point 289 (89/219) ======================= q-point: ( 0.44 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 1.685 -2.247 -0.164) 2.814 2.685 ( 0.231 0.779 -5.027) 5.092 2.954 ( -0.660 0.948 4.910) 5.044 3.126 ( -1.853 0.191 1.313) 2.279 3.269 ( -1.462 6.355 -2.672) 7.047 3.574 ( -0.602 -3.269 -6.390) 7.203 3.762 ( -0.095 -1.096 4.104) 4.249 3.900 ( 7.537 -3.754 2.479) 8.778 3.968 ( -8.288 2.463 1.404) 8.760 4.216 ( -2.159 -0.456 -4.553) 5.060 4.514 ( -2.454 1.317 2.859) 3.991 4.685 ( 3.356 0.551 -1.494) 3.715 5.326 ( 0.305 -1.083 1.345) 1.754 5.412 ( -2.027 -7.594 -0.520) 7.877 5.935 ( 2.376 6.448 1.972) 7.149 6.177 ( 1.527 2.426 -6.059) 6.703 6.481 ( 1.363 -0.087 8.722) 8.828 6.952 ( 0.330 -2.414 -4.781) 5.367 7.383 ( 2.504 0.481 5.305) 5.886 7.774 ( 0.327 0.126 -4.468) 4.482 9.724 ( -4.843 2.679 1.871) 5.843 9.885 ( -4.914 -0.557 0.006) 4.945 10.389 ( -4.455 -1.118 3.471) 5.757 10.430 ( 7.462 1.825 6.225) 9.888 10.667 ( -4.493 -6.936 0.851) 8.308 10.756 ( -10.135 -4.831 -3.044) 11.633 10.960 ( 9.880 7.947 0.723) 12.700 11.222 ( -2.438 -0.054 -9.012) 9.336 11.578 ( 2.263 -0.273 -5.254) 5.728 11.605 ( -4.687 -0.232 6.599) 8.097 11.666 ( -0.385 -0.766 -1.483) 1.713 11.831 ( -6.685 1.356 0.777) 6.865 11.982 ( 4.201 0.720 6.379) 7.672 12.335 ( 1.834 1.293 -4.195) 4.758 12.561 ( -3.822 -1.663 -1.468) 4.419 12.627 ( 6.162 -2.068 -2.633) 7.013 13.479 ( 0.433 2.210 4.943) 5.432 13.775 ( -0.322 -1.038 -2.430) 2.662 15.322 ( 0.173 3.710 4.570) 5.889 16.059 ( -0.038 -0.621 -20.711) 20.720 16.826 ( -0.013 -0.982 18.427) 18.453 17.421 ( -1.079 -0.750 -3.481) 3.721 ======================= Grid point 290 (90/219) ======================= q-point: (-0.50 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -1.881 1.898 -0.723) 2.768 2.673 ( -0.775 0.589 -5.746) 5.828 2.928 ( -2.056 -0.211 4.524) 4.974 3.122 ( 0.122 -3.677 3.990) 5.427 3.213 ( -1.520 0.737 -2.228) 2.796 3.526 ( -6.280 -1.901 -4.742) 8.095 3.731 ( -6.261 -1.145 -0.041) 6.365 3.772 ( -5.674 2.171 1.800) 6.336 4.073 ( 6.881 -4.707 1.867) 8.543 4.267 ( 4.640 -4.174 -4.875) 7.919 4.502 ( 1.053 0.397 5.052) 5.176 4.769 ( 6.328 3.668 -2.718) 7.803 5.285 ( -4.745 -0.343 2.043) 5.178 5.382 ( -5.767 -7.898 -0.201) 9.782 5.869 ( -4.564 7.699 1.477) 9.071 6.092 ( -8.453 3.823 -6.008) 11.053 6.403 ( -8.786 2.095 8.806) 12.614 6.861 ( -10.339 -0.206 -4.361) 11.223 7.443 ( 4.642 3.643 4.366) 7.340 7.784 ( 0.850 0.541 -4.004) 4.129 9.681 ( -1.046 -6.324 2.687) 6.950 9.831 ( -3.569 -7.301 1.715) 8.305 10.263 ( -7.979 0.603 -2.447) 8.367 10.408 ( -10.079 -6.083 6.597) 13.495 10.509 ( -9.595 -4.725 -5.103) 11.850 10.814 ( 7.185 0.003 3.670) 8.068 10.994 ( -4.734 3.376 5.266) 7.845 11.113 ( -3.989 -0.308 -10.773) 11.492 11.481 ( -5.796 -3.168 -2.031) 6.910 11.524 ( -6.784 -1.511 5.303) 8.742 11.622 ( -2.923 -2.970 3.495) 5.439 12.000 ( 13.963 -2.675 -5.324) 15.181 12.128 ( 4.177 1.335 -0.633) 4.431 12.322 ( 3.309 1.207 -2.640) 4.402 12.452 ( 1.272 1.086 5.349) 5.604 12.921 ( 17.666 2.712 -6.165) 18.906 13.504 ( 3.103 1.465 4.951) 6.024 13.743 ( -3.625 -0.886 -1.364) 3.973 15.357 ( 5.144 1.913 4.096) 6.848 16.071 ( 0.758 -0.717 -20.511) 20.537 16.851 ( 2.351 -0.253 18.308) 18.460 17.443 ( 2.461 -2.146 -3.412) 4.723 ======================= Grid point 291 (91/219) ======================= q-point: (-0.44 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -5.728 5.409 -0.110) 7.878 2.642 ( -2.422 0.849 -6.200) 6.710 2.867 ( -4.738 -0.308 3.261) 5.760 3.152 ( 0.310 -2.644 4.730) 5.428 3.218 ( -0.205 -7.721 -3.794) 8.605 3.351 ( -11.511 -0.213 -3.561) 12.051 3.599 ( -5.323 -5.295 3.481) 8.276 3.737 ( -0.762 0.343 -3.017) 3.130 4.188 ( 3.174 0.606 3.076) 4.461 4.374 ( 0.286 -9.837 -3.974) 10.613 4.535 ( 2.278 0.604 4.836) 5.380 4.862 ( 5.685 6.416 -4.770) 9.809 5.175 ( -5.672 -0.266 3.617) 6.733 5.278 ( -11.210 -9.532 1.148) 14.760 5.715 ( -3.835 9.830 -0.538) 10.565 5.820 ( -16.784 5.012 -4.905) 18.190 6.127 ( -18.081 3.412 8.656) 20.335 6.569 ( -19.243 2.324 -4.159) 19.824 7.514 ( 5.435 5.078 3.534) 8.235 7.799 ( 1.191 1.017 -3.460) 3.798 9.714 ( -2.727 -10.497 3.237) 11.319 9.794 ( -5.330 -7.331 5.869) 10.798 10.110 ( -19.218 -10.691 -0.194) 21.992 10.171 ( -3.605 -2.189 -6.371) 7.641 10.485 ( 0.687 -4.790 -6.660) 8.232 10.761 ( -11.285 3.007 0.743) 11.703 10.863 ( -5.269 -4.691 6.415) 9.536 11.122 ( -0.253 -0.278 -2.956) 2.980 11.388 ( -8.988 -2.411 6.425) 11.308 11.429 ( -1.508 -5.990 -4.326) 7.541 11.626 ( 1.358 -3.533 5.360) 6.562 12.073 ( -2.506 -0.820 3.563) 4.432 12.208 ( 6.129 1.467 -6.423) 8.998 12.414 ( 6.212 0.691 2.625) 6.779 12.744 ( 23.683 0.925 -2.473) 23.829 13.243 ( 17.880 5.921 -9.389) 21.046 13.561 ( 2.408 0.819 6.007) 6.523 13.654 ( -4.373 0.006 1.608) 4.659 15.483 ( 8.131 0.509 2.640) 8.564 16.097 ( 1.344 -2.040 -19.320) 19.474 16.923 ( 5.293 0.478 18.230) 18.988 17.538 ( 5.545 -3.681 -3.681) 7.606 ======================= Grid point 292 (92/219) ======================= q-point: (-0.38 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -9.996 6.988 0.742) 12.219 2.559 ( -5.265 2.985 -5.449) 8.144 2.735 ( -9.096 1.540 1.828) 9.405 3.067 ( -10.748 1.095 -0.604) 10.820 3.205 ( -2.984 -7.025 5.008) 9.129 3.297 ( 2.111 -8.822 -9.518) 13.148 3.594 ( -0.696 -8.561 3.214) 9.171 3.713 ( -3.006 -4.685 -1.430) 5.747 4.169 ( -3.526 5.619 3.353) 7.433 4.329 ( -11.859 -12.428 -2.226) 17.322 4.531 ( -3.399 3.854 2.935) 5.917 4.879 ( -2.978 8.118 -7.017) 11.137 4.995 ( -15.659 -4.089 2.470) 16.371 5.162 ( -0.106 -2.970 3.515) 4.603 5.428 ( -17.846 7.710 -0.296) 19.443 5.631 ( -13.336 8.349 3.467) 16.111 5.764 ( -4.730 -1.724 1.469) 5.245 6.119 ( -24.524 3.915 -3.925) 25.142 7.595 ( 6.081 4.790 2.685) 8.193 7.815 ( 1.206 1.446 -2.683) 3.278 9.625 ( -9.240 -3.618 2.710) 10.286 9.744 ( -8.792 -9.683 7.240) 14.949 9.766 ( -16.447 -3.575 0.464) 16.838 10.195 ( -1.127 -8.091 -9.930) 12.859 10.497 ( -11.594 -9.151 -7.001) 16.345 10.566 ( -0.413 0.038 2.510) 2.544 10.799 ( -4.499 -9.846 2.080) 11.023 11.029 ( -11.533 -7.006 -0.421) 13.500 11.228 ( -5.293 2.260 5.776) 8.154 11.478 ( 0.634 -8.465 -5.710) 10.230 11.701 ( 4.420 -0.345 3.582) 5.700 12.095 ( 2.089 -2.327 12.389) 12.777 12.267 ( 5.101 6.279 -7.759) 11.209 12.581 ( 9.452 -1.330 6.761) 11.697 13.077 ( 3.901 0.140 -11.689) 12.324 13.465 ( 4.569 3.854 -8.708) 10.562 13.545 ( 6.938 0.714 9.909) 12.117 13.782 ( 18.760 5.071 0.670) 19.445 15.636 ( 7.693 0.472 1.531) 7.858 16.160 ( 3.583 -4.174 -18.132) 18.948 17.050 ( 8.281 0.596 18.388) 20.176 17.694 ( 7.935 -4.998 -3.948) 10.175 ======================= Grid point 293 (93/219) ======================= q-point: (-0.31 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -14.677 8.400 1.722) 16.999 2.384 ( -10.275 10.588 2.722) 15.003 2.514 ( -12.014 -0.150 -4.864) 12.962 2.867 ( -9.520 -1.625 -2.028) 9.869 3.176 ( -5.705 -4.261 1.582) 7.294 3.380 ( -1.653 -11.353 -10.183) 15.340 3.562 ( -6.877 -6.035 3.343) 9.741 3.726 ( -3.075 -14.944 4.985) 16.051 3.992 ( -10.320 7.367 0.346) 12.685 4.115 ( -15.062 -10.834 -2.661) 18.743 4.306 ( -18.688 6.714 1.204) 19.894 4.485 ( -22.982 1.440 3.885) 23.353 4.873 ( -7.514 11.842 -8.603) 16.454 4.935 ( -22.429 1.299 -5.235) 23.068 5.215 ( -8.939 3.970 6.335) 11.653 5.378 ( 5.978 1.874 10.869) 12.545 5.542 ( -23.685 3.418 -0.349) 23.933 5.985 ( 11.146 -5.412 -4.959) 13.346 7.692 ( 6.630 3.504 1.552) 7.658 7.827 ( 0.929 1.723 -1.649) 2.559 9.380 ( -19.663 -6.073 1.675) 20.647 9.494 ( -8.279 1.731 -0.314) 8.464 9.657 ( -7.877 -4.284 5.817) 10.688 10.124 ( -10.919 -5.097 -6.115) 13.513 10.277 ( -13.646 -5.826 0.366) 14.842 10.599 ( -1.027 -6.679 4.064) 7.885 10.782 ( -11.427 -7.540 1.365) 13.758 10.868 ( -0.052 -9.922 -11.423) 15.130 11.185 ( -0.811 -3.338 5.231) 6.258 11.524 ( -2.097 -11.942 -6.948) 13.974 11.770 ( 3.756 4.169 5.199) 7.650 12.102 ( -2.561 1.166 14.784) 15.049 12.377 ( 9.565 6.370 -8.229) 14.135 12.750 ( 5.358 -4.901 8.668) 11.308 12.923 ( -13.379 -0.560 -7.553) 15.374 13.419 ( -2.230 4.492 -5.653) 7.557 13.876 ( 21.169 2.650 4.802) 21.868 14.187 ( 24.104 5.598 -4.040) 25.073 15.775 ( 7.354 -0.389 1.094) 7.445 16.275 ( 5.317 -4.033 -18.296) 19.475 17.230 ( 10.644 0.091 19.409) 22.136 17.892 ( 9.452 -5.490 -3.797) 11.571 ======================= Grid point 294 (94/219) ======================= q-point: (-0.25 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -17.899 9.875 3.522) 20.743 2.037 ( -16.171 17.290 11.398) 26.274 2.306 ( -10.588 -0.872 -9.816) 14.464 2.705 ( -9.800 -0.706 -5.670) 11.344 2.932 ( -22.424 -4.205 1.621) 22.873 3.219 ( -23.304 -7.997 -6.701) 25.533 3.515 ( -6.738 -5.473 1.948) 8.897 3.610 ( -16.126 -2.822 6.526) 17.624 3.659 ( -18.960 2.897 7.313) 20.527 3.834 ( -12.539 -1.006 -4.439) 13.339 4.053 ( -10.453 -10.858 -5.658) 16.100 4.109 ( -12.803 -0.683 5.856) 14.095 4.432 ( -22.828 -1.930 -4.455) 23.338 4.591 ( -14.680 8.589 -12.451) 21.078 5.062 ( -13.608 10.626 5.849) 18.229 5.196 ( 4.861 7.266 -2.410) 9.068 5.604 ( 10.158 -3.660 14.281) 17.903 6.262 ( 12.169 -8.641 -5.822) 16.020 7.804 ( 6.322 2.365 -0.119) 6.750 7.827 ( 0.551 2.649 -0.335) 2.726 9.038 ( -18.865 -4.916 2.457) 19.649 9.326 ( -9.602 0.485 -6.184) 11.431 9.509 ( -9.282 -2.176 4.993) 10.762 9.857 ( -17.759 -1.370 1.395) 17.866 10.059 ( -14.078 -7.779 1.089) 16.121 10.467 ( -17.514 2.720 0.466) 17.730 10.654 ( -3.660 -10.984 2.218) 11.788 10.987 ( 5.145 -5.572 -8.822) 11.634 11.214 ( -0.053 -9.855 4.147) 10.692 11.553 ( -1.116 -12.171 -7.687) 14.439 11.806 ( 3.547 6.019 6.490) 9.536 12.016 ( -3.814 -0.278 11.964) 12.561 12.519 ( 7.215 4.830 -9.555) 12.910 12.677 ( -12.080 -0.064 -6.632) 13.781 12.815 ( -0.673 -2.760 8.632) 9.087 13.397 ( 2.500 2.525 -5.607) 6.638 14.248 ( 19.486 5.205 3.338) 20.444 14.567 ( 17.382 4.671 -4.101) 18.460 15.944 ( 9.983 -1.334 -0.139) 10.072 16.380 ( 3.319 -1.551 -19.239) 19.584 17.453 ( 12.393 -0.903 21.754) 25.053 18.114 ( 10.330 -5.421 -2.917) 12.025 ======================= Grid point 295 (95/219) ======================= q-point: (-0.19 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -18.374 11.339 7.038) 22.709 1.600 ( -17.665 20.461 15.960) 31.392 2.108 ( -10.226 1.734 -9.449) 14.031 2.305 ( -31.056 2.766 -5.686) 31.694 2.416 ( -36.065 8.616 9.165) 38.196 2.793 ( -13.276 -5.564 -7.496) 16.229 3.117 ( -22.766 1.086 1.438) 22.837 3.233 ( -20.527 -5.321 2.403) 21.341 3.574 ( -11.214 0.089 -1.933) 11.380 3.637 ( -13.454 -5.092 2.484) 14.598 3.703 ( -16.410 -1.850 1.950) 16.628 4.008 ( -1.666 -14.186 5.131) 15.177 4.212 ( -9.145 11.647 -20.114) 24.977 4.411 ( 0.404 -18.937 -7.828) 20.496 4.880 ( -0.553 13.215 12.118) 17.938 5.243 ( 4.831 10.394 -5.668) 12.787 5.807 ( 8.336 -3.936 15.779) 18.274 6.524 ( 9.411 -9.250 -6.423) 14.676 7.795 ( -0.961 4.862 0.910) 5.039 7.913 ( 5.310 2.377 -2.083) 6.179 8.723 ( -17.745 -7.390 2.044) 19.331 9.085 ( -17.566 -2.965 -9.129) 20.018 9.298 ( -18.197 -2.479 2.389) 18.520 9.467 ( -26.134 -0.898 1.936) 26.221 9.730 ( -15.158 8.863 7.592) 19.129 10.128 ( -10.303 0.914 -4.939) 11.462 10.726 ( 3.527 -13.576 4.598) 14.761 11.115 ( 4.250 -7.508 -6.325) 10.698 11.286 ( 2.479 -7.571 4.762) 9.281 11.636 ( 1.175 -10.837 -7.081) 12.999 11.872 ( 8.219 5.434 1.199) 9.926 12.001 ( -0.148 -5.466 9.635) 11.079 12.388 ( -12.319 5.017 -9.383) 16.278 12.637 ( 3.089 1.137 -4.659) 5.704 12.796 ( -0.902 2.193 5.737) 6.207 13.437 ( 0.748 0.866 -10.850) 10.910 14.542 ( 14.190 5.959 2.795) 15.642 14.776 ( 7.474 4.711 -2.301) 9.129 16.158 ( 11.061 -0.108 -2.456) 11.331 16.399 ( -1.623 1.702 -19.638) 19.778 17.722 ( 14.677 -3.817 26.456) 30.494 18.344 ( 10.152 -5.299 -1.113) 11.506 ======================= Grid point 296 (96/219) ======================= q-point: (-0.12 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -14.007 12.778 14.561) 23.907 1.097 ( -26.381 16.502 13.675) 33.989 1.582 ( -28.270 26.662 24.178) 45.768 1.671 ( -29.126 3.091 -5.541) 29.809 1.977 ( -5.024 4.947 -8.781) 11.261 2.622 ( -9.450 -1.493 -1.812) 9.737 2.734 ( -15.796 -0.349 -0.845) 15.823 3.020 ( -5.912 -12.495 -6.042) 15.086 3.232 ( -17.152 0.984 -0.916) 17.205 3.266 ( -17.078 -6.035 -0.316) 18.115 3.690 ( 0.594 -0.832 -3.927) 4.058 4.046 ( -0.297 8.731 -7.076) 11.242 4.154 ( 4.528 -17.447 5.951) 18.982 4.572 ( 2.561 -18.860 -8.879) 21.002 4.832 ( 2.250 10.192 12.421) 16.224 5.251 ( 2.845 12.785 -7.613) 15.150 5.959 ( 5.374 -2.805 16.891) 17.946 6.717 ( 5.191 -7.949 -7.002) 11.796 7.741 ( -0.635 7.434 1.699) 7.652 7.939 ( -4.353 -0.289 -2.845) 5.208 8.367 ( -30.448 1.194 -3.272) 30.646 8.562 ( -26.301 -5.978 -0.609) 26.979 8.867 ( -18.004 0.757 -0.081) 18.020 9.112 ( -13.792 -0.557 -1.452) 13.880 9.516 ( -4.624 15.848 -5.050) 17.263 10.005 ( -4.311 -1.452 -10.577) 11.514 10.914 ( 6.331 -13.818 6.938) 16.707 11.272 ( 8.681 -9.038 -1.912) 12.676 11.398 ( 4.292 -6.175 4.902) 8.977 11.668 ( -3.513 -8.276 -6.747) 11.241 12.032 ( 2.399 -3.800 4.842) 6.606 12.061 ( 9.246 1.945 -1.048) 9.507 12.172 ( -5.058 5.661 -2.173) 7.896 12.658 ( -0.646 -0.992 -0.231) 1.206 12.759 ( -0.412 6.289 -2.500) 6.780 13.331 ( -11.912 6.703 -21.816) 25.744 14.708 ( 6.012 4.183 2.146) 7.632 14.825 ( 1.992 6.216 -0.868) 6.585 16.282 ( -5.773 4.045 -10.943) 13.017 16.341 ( 5.739 4.298 -9.125) 11.605 18.093 ( 19.496 -14.571 31.795) 40.041 18.547 ( 7.484 -4.780 1.581) 9.020 ======================= Grid point 297 (97/219) ======================= q-point: (-0.06 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.000 18.412 16.375) 24.640 0.601 ( -0.000 8.508 26.067) 27.421 1.153 ( -0.000 32.199 40.662) 51.867 1.326 ( -0.000 3.308 -7.101) 7.834 1.916 ( -0.000 2.485 -10.993) 11.270 2.518 ( 0.000 -0.602 0.819) 1.016 2.574 ( 0.000 -0.093 -0.597) 0.604 3.036 ( 0.000 -0.141 0.226) 0.266 3.054 ( -0.000 0.859 -0.203) 0.882 3.147 ( 0.000 -20.805 -16.975) 26.851 3.701 ( -0.000 1.468 -1.331) 1.982 4.020 ( -0.000 5.440 0.044) 5.440 4.378 ( 0.000 -26.924 7.764) 28.021 4.675 ( 0.000 -4.013 -4.133) 5.761 4.852 ( 0.000 -7.062 6.653) 9.702 5.199 ( -0.000 14.582 -8.427) 16.842 6.034 ( 0.000 -0.396 16.475) 16.480 6.807 ( 0.000 -5.371 -7.541) 9.258 7.614 ( -0.000 4.535 2.499) 5.178 7.787 ( -0.000 6.794 7.808) 10.350 7.878 ( -0.000 5.267 -4.618) 7.005 8.266 ( -0.000 19.967 -13.623) 24.171 8.661 ( -0.000 0.032 5.110) 5.110 8.966 ( -0.000 0.437 -3.005) 3.036 9.340 ( -0.000 22.599 -5.096) 23.167 9.970 ( 0.000 -0.575 -13.286) 13.298 11.059 ( 0.000 -10.510 9.592) 14.229 11.462 ( 0.000 -7.528 0.635) 7.554 11.519 ( 0.000 -7.236 -0.789) 7.279 11.627 ( 0.000 -6.333 -8.733) 10.787 12.109 ( -0.000 3.782 0.800) 3.865 12.118 ( 0.000 -7.998 9.567) 12.469 12.167 ( -0.000 3.684 -0.646) 3.740 12.649 ( 0.000 -1.749 0.534) 1.829 12.702 ( -0.000 9.413 -8.985) 13.013 12.982 ( -0.000 24.081 -15.687) 28.740 14.740 ( -0.000 1.539 1.307) 2.019 14.806 ( -0.000 6.683 -0.552) 6.706 16.137 ( -0.000 9.564 -3.117) 10.059 16.385 ( -0.000 3.291 -5.429) 6.349 18.516 ( 0.000 -29.835 16.871) 34.275 18.673 ( 0.000 -8.139 6.188) 10.225 ======================= Grid point 300 (98/219) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 16.445 -0.000 8.211) 18.381 2.127 ( 18.720 -0.000 5.941) 19.640 2.579 ( 13.776 -0.000 -2.554) 14.011 2.852 ( 5.622 -0.000 -21.469) 22.193 3.429 ( 3.646 -0.000 0.303) 3.658 3.429 ( 6.642 -0.000 3.674) 7.591 3.758 ( 0.143 -0.000 11.603) 11.604 3.786 ( 10.213 -0.000 -2.332) 10.476 4.179 ( 19.463 -0.000 -1.486) 19.520 4.231 ( 23.019 -0.000 1.577) 23.073 4.236 ( 3.587 -0.000 0.664) 3.648 4.406 ( 4.393 -0.000 -15.517) 16.127 4.609 ( 24.921 -0.000 2.176) 25.016 4.927 ( 9.759 -0.000 4.015) 10.553 5.077 ( 17.116 -0.000 4.833) 17.785 5.274 ( 12.873 -0.000 -2.744) 13.162 5.524 ( 6.436 -0.000 8.822) 10.920 6.095 ( -16.212 0.000 -5.731) 17.195 7.622 ( -7.838 0.000 2.063) 8.105 7.798 ( -0.398 0.000 -2.227) 2.262 9.445 ( 8.458 -0.000 0.329) 8.464 9.461 ( 18.960 -0.000 -0.343) 18.963 9.810 ( 12.089 -0.000 5.632) 13.337 10.142 ( 11.618 -0.000 6.004) 13.077 10.501 ( 12.653 -0.000 -10.658) 16.543 10.676 ( 5.117 -0.000 5.425) 7.458 10.938 ( 10.213 -0.000 2.232) 10.454 11.005 ( 1.818 -0.000 -10.866) 11.017 11.484 ( 2.721 -0.000 4.559) 5.309 11.525 ( -6.472 0.000 -1.321) 6.605 11.834 ( 8.468 -0.000 4.935) 9.801 12.065 ( -17.375 0.000 -6.536) 18.563 12.167 ( 0.098 -0.000 7.212) 7.213 12.826 ( 1.842 -0.000 -5.623) 5.917 13.157 ( 13.478 -0.000 2.824) 13.771 13.165 ( -6.563 0.000 -1.686) 6.776 13.841 ( -15.714 0.000 4.073) 16.233 14.060 ( -26.654 0.000 -3.740) 26.915 15.782 ( -9.008 0.000 1.245) 9.094 16.323 ( -4.546 0.000 -21.699) 22.170 17.246 ( -10.801 0.000 22.636) 25.081 17.995 ( -10.143 0.000 -4.735) 11.194 ======================= Grid point 301 (99/219) ======================= q-point: ( 0.19 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 11.837 -1.071 4.806) 12.820 2.423 ( 11.478 -1.450 2.131) 11.764 2.836 ( 13.191 3.250 -3.579) 14.049 2.954 ( 5.038 -3.225 -14.272) 15.475 3.438 ( 0.918 4.119 -1.560) 4.500 3.474 ( -1.811 0.094 -3.463) 3.909 3.755 ( 0.366 3.706 10.537) 11.176 3.853 ( -1.403 -6.518 8.773) 11.019 4.187 ( -0.948 15.877 -4.469) 16.521 4.391 ( -2.421 -15.035 -9.556) 17.978 4.600 ( 16.145 3.169 -1.037) 16.485 4.643 ( 19.107 1.679 -1.246) 19.221 5.007 ( -8.250 -4.240 13.613) 16.473 5.161 ( 29.703 1.386 2.310) 29.825 5.357 ( 8.668 1.982 0.446) 8.903 5.424 ( 15.205 -3.065 -1.840) 15.620 5.848 ( -2.816 1.631 -1.331) 3.516 5.970 ( 25.576 -2.381 -2.828) 25.842 7.480 ( -7.004 -0.989 3.666) 7.967 7.782 ( -1.047 -0.276 -3.806) 3.957 9.633 ( 11.101 -0.163 3.813) 11.738 9.793 ( 14.593 -0.061 -0.540) 14.603 10.072 ( 16.789 3.385 3.909) 17.568 10.284 ( 3.597 -0.489 2.394) 4.348 10.628 ( -6.925 1.182 3.323) 7.771 10.755 ( 13.489 2.391 -12.927) 18.835 11.069 ( 3.907 1.094 2.546) 4.790 11.206 ( 14.542 1.212 3.320) 14.966 11.393 ( -2.465 12.410 -5.789) 13.914 11.527 ( -3.920 -8.647 -4.616) 10.557 11.749 ( -8.470 2.483 -0.318) 8.832 11.996 ( 5.755 -4.682 3.140) 8.056 12.140 ( -3.116 0.276 10.554) 11.008 12.639 ( -17.360 0.793 6.117) 18.423 13.117 ( -2.420 0.958 -14.196) 14.432 13.335 ( -8.280 -1.637 -8.571) 12.029 13.564 ( -10.041 1.800 5.365) 11.526 13.616 ( -9.502 -3.130 6.089) 11.711 15.629 ( -6.866 -0.042 2.214) 7.214 16.222 ( -5.531 0.234 -20.847) 21.570 17.059 ( -8.611 0.262 21.317) 22.992 17.804 ( -9.526 0.879 -5.117) 10.849 ======================= Grid point 302 (100/219) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 7.417 -1.858 3.287) 8.323 2.586 ( 5.321 -0.928 -2.145) 5.812 2.978 ( 4.391 4.067 -3.713) 7.043 3.130 ( 9.648 -3.424 -3.802) 10.921 3.401 ( -3.504 4.211 -7.571) 9.345 3.442 ( 1.373 0.932 -3.496) 3.870 3.738 ( 0.368 2.726 6.135) 6.723 3.837 ( -3.601 -2.954 11.460) 12.370 4.104 ( 1.220 9.762 -2.272) 10.096 4.395 ( -4.735 -11.115 -6.997) 13.961 4.689 ( -6.867 2.895 7.160) 10.335 4.871 ( 6.948 9.794 -0.117) 12.009 5.028 ( 10.008 -6.106 1.253) 11.790 5.260 ( -10.860 -9.108 -2.818) 14.451 5.652 ( 21.912 5.275 1.139) 22.567 5.788 ( 18.723 0.775 -2.665) 18.928 6.035 ( 16.027 -1.506 6.229) 17.261 6.437 ( 20.473 -3.215 -4.211) 21.147 7.376 ( -4.425 -1.915 4.927) 6.894 7.769 ( -0.512 -0.469 -4.830) 4.879 9.867 ( 13.115 0.596 5.419) 14.203 10.002 ( 7.385 2.934 0.628) 7.971 10.283 ( -4.112 1.930 -2.917) 5.398 10.375 ( 11.298 1.909 -1.173) 11.518 10.508 ( 2.186 -0.146 7.156) 7.484 10.885 ( -4.359 6.255 -6.558) 10.057 11.103 ( -1.954 -0.564 3.588) 4.124 11.145 ( -0.511 6.897 -4.529) 8.267 11.465 ( 2.787 0.264 -7.075) 7.609 11.574 ( 8.896 1.689 7.367) 11.674 11.755 ( 7.387 2.830 -3.777) 8.766 12.050 ( -4.131 -1.388 4.639) 6.365 12.134 ( 4.121 -2.351 4.994) 6.889 12.283 ( -17.706 -4.097 8.389) 20.016 12.801 ( -27.583 3.364 -7.615) 28.812 13.023 ( -12.630 -4.724 -12.929) 18.681 13.542 ( -0.771 -0.167 7.020) 7.064 13.648 ( 6.038 -0.190 0.851) 6.101 15.516 ( -4.793 1.046 2.677) 5.589 16.123 ( -4.353 0.044 -20.074) 20.541 16.916 ( -6.130 -0.074 20.230) 21.138 17.625 ( -8.380 1.064 -4.847) 9.739 ======================= Grid point 303 (101/219) ======================= q-point: ( 0.31 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.568 -2.355 2.432) 5.686 2.658 ( 2.212 -0.552 -3.982) 4.588 2.998 ( 0.201 2.795 2.855) 4.000 3.239 ( -1.106 4.225 -1.642) 4.666 3.352 ( 2.745 2.930 -9.323) 10.151 3.483 ( 1.592 -3.575 -6.119) 7.263 3.741 ( -0.194 -1.332 5.862) 6.014 3.788 ( 0.226 2.012 8.670) 8.903 4.092 ( 0.041 4.003 -0.093) 4.005 4.320 ( -7.246 -2.732 -3.712) 8.587 4.569 ( -4.781 -5.287 4.249) 8.298 4.767 ( -6.273 10.404 -1.479) 12.239 5.227 ( 6.617 -2.798 -0.727) 7.221 5.257 ( 1.308 -10.607 -0.753) 10.714 5.929 ( 11.097 6.950 1.780) 13.215 6.081 ( 12.012 1.592 -3.216) 12.537 6.331 ( 12.262 -1.546 6.922) 14.166 6.771 ( 11.711 -3.995 -4.675) 13.228 7.341 ( -0.128 -1.634 5.659) 5.891 7.768 ( 0.175 -0.266 -5.032) 5.042 9.961 ( -5.196 7.255 -0.812) 8.961 10.078 ( -5.605 7.214 2.826) 9.563 10.180 ( 9.389 -2.964 2.509) 10.160 10.449 ( -1.082 -6.187 2.916) 6.925 10.647 ( -6.852 0.488 3.626) 7.767 10.773 ( 13.613 3.489 -0.654) 14.068 10.985 ( -8.631 0.917 -2.235) 8.962 11.212 ( 4.893 3.172 -10.957) 12.412 11.528 ( 2.437 0.167 -2.943) 3.825 11.641 ( 1.416 2.901 10.495) 10.980 11.774 ( -4.550 5.990 1.853) 7.747 11.982 ( -9.293 -3.352 6.813) 12.000 12.122 ( 0.872 0.283 -4.079) 4.180 12.231 ( -1.188 -6.950 -0.249) 7.055 12.387 ( -3.508 1.463 -1.736) 4.179 12.792 ( -13.606 -2.858 -8.438) 16.263 13.529 ( -0.377 2.007 5.114) 5.507 13.732 ( 2.382 -1.193 -1.003) 2.847 15.430 ( -2.708 3.772 3.113) 5.590 16.063 ( -2.074 -0.688 -19.828) 19.948 16.831 ( -3.003 -1.015 19.192) 19.452 17.483 ( -5.745 0.265 -4.195) 7.118 ======================= Grid point 304 (102/219) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 2.507 -2.214 1.202) 3.554 2.688 ( 0.741 -0.243 -4.165) 4.237 2.969 ( -1.627 1.478 5.486) 5.910 3.151 ( -3.404 4.162 -2.337) 5.863 3.350 ( -1.088 6.972 -2.718) 7.562 3.520 ( -1.288 -5.821 -6.326) 8.692 3.746 ( -0.109 -1.492 4.386) 4.634 3.846 ( 4.152 -5.143 4.149) 7.804 4.008 ( -7.405 4.238 0.405) 8.541 4.207 ( -3.526 -1.165 -5.656) 6.767 4.521 ( -1.691 -0.555 4.358) 4.708 4.702 ( 3.465 2.567 -1.058) 4.440 5.302 ( -0.762 -5.246 -0.537) 5.328 5.322 ( -0.328 -4.785 -0.178) 4.800 6.015 ( 2.454 6.707 2.357) 7.520 6.211 ( 2.644 2.936 -3.885) 5.541 6.484 ( 3.081 0.879 6.823) 7.538 6.914 ( 0.642 -3.973 -4.465) 6.012 7.390 ( 4.543 0.638 5.113) 6.869 7.776 ( 0.609 0.179 -4.451) 4.496 9.767 ( -9.015 4.428 0.661) 10.065 9.878 ( -9.362 -0.524 0.468) 9.388 10.375 ( -4.249 -1.709 3.429) 5.721 10.442 ( 6.930 -0.573 7.734) 10.400 10.569 ( -5.169 -7.083 0.039) 8.769 10.732 ( -8.918 -0.811 -4.154) 9.872 11.034 ( 7.692 4.791 2.302) 9.350 11.221 ( -4.198 -0.050 -9.138) 10.056 11.575 ( 3.922 -0.142 -6.472) 7.569 11.602 ( -6.861 -0.298 7.357) 10.064 11.654 ( -2.138 -1.223 -0.808) 2.592 11.849 ( -11.874 1.387 -0.050) 11.955 11.995 ( 8.044 1.610 7.903) 11.391 12.357 ( 3.336 2.373 -3.536) 5.410 12.536 ( -6.358 -2.503 -2.582) 7.305 12.594 ( 10.347 -3.382 -3.250) 11.360 13.513 ( 0.847 3.567 4.395) 5.724 13.757 ( -0.656 -1.957 -1.669) 2.655 15.378 ( 0.497 5.587 3.588) 6.658 16.048 ( -0.283 -1.249 -19.934) 19.976 16.812 ( 0.100 -1.366 18.332) 18.383 17.410 ( -2.036 -1.086 -3.534) 4.220 ======================= Grid point 305 (103/219) ======================= q-point: (-0.56 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.110 -0.599 -0.311) 0.684 2.686 ( -0.845 1.182 -4.841) 5.055 2.926 ( -2.396 -0.354 5.948) 6.422 3.087 ( -1.955 -0.910 -0.062) 2.157 3.259 ( -3.388 6.384 1.362) 7.355 3.487 ( -5.400 -4.883 -4.742) 8.689 3.721 ( -6.170 -0.593 -1.572) 6.395 3.801 ( -7.052 2.721 1.281) 7.667 3.983 ( 4.869 -9.986 2.238) 11.333 4.227 ( 3.155 -2.546 -7.018) 8.105 4.530 ( 2.983 3.485 6.919) 8.301 4.800 ( 7.072 1.913 -1.878) 7.563 5.266 ( -5.794 -4.360 -0.042) 7.251 5.292 ( -5.461 -5.187 0.474) 7.547 5.957 ( -4.020 6.986 1.811) 8.261 6.145 ( -7.138 4.779 -4.010) 9.480 6.432 ( -7.343 3.023 7.024) 10.601 6.847 ( -9.376 -2.234 -4.041) 10.452 7.483 ( 5.890 3.234 3.851) 7.745 7.790 ( 1.032 0.482 -3.608) 3.783 9.623 ( -5.339 -3.642 2.527) 6.939 9.749 ( -6.263 -6.569 1.297) 9.169 10.232 ( -12.632 -7.146 0.415) 14.519 10.345 ( -11.701 -2.309 -0.637) 11.943 10.491 ( -5.318 0.233 -2.097) 5.721 10.798 ( 8.195 -2.160 7.427) 11.268 11.028 ( -8.655 2.177 0.034) 8.924 11.122 ( -0.689 1.252 -6.210) 6.372 11.451 ( -9.048 -1.686 -1.629) 9.347 11.510 ( -7.382 -1.023 2.243) 7.782 11.591 ( -3.976 -2.376 5.205) 6.967 11.966 ( 15.370 -2.981 -7.860) 17.518 12.149 ( 2.013 2.332 0.946) 3.223 12.337 ( 1.687 1.123 -0.898) 2.216 12.453 ( 4.302 -0.603 4.732) 6.424 12.941 ( 19.338 0.688 -6.326) 20.358 13.530 ( 2.726 2.803 4.278) 5.796 13.728 ( -3.569 -1.724 -0.791) 4.042 15.396 ( 4.652 4.641 3.354) 7.378 16.057 ( 0.040 -1.744 -19.551) 19.629 16.847 ( 2.962 -0.489 17.608) 17.862 17.416 ( 1.534 -2.432 -3.170) 4.280 ======================= Grid point 306 (104/219) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -3.945 4.251 -0.808) 5.856 2.647 ( -2.463 0.517 -6.062) 6.564 2.873 ( -3.510 0.482 4.376) 5.630 3.089 ( -0.689 -7.320 2.138) 7.657 3.174 ( -2.845 0.940 3.143) 4.342 3.356 ( -10.235 0.305 -5.085) 11.433 3.544 ( -7.986 -4.070 2.361) 9.269 3.749 ( -1.339 1.413 -3.685) 4.167 4.120 ( 1.869 -11.836 1.007) 12.025 4.293 ( 0.235 -3.466 -6.316) 7.208 4.578 ( 4.580 5.735 7.804) 10.713 4.922 ( 6.701 3.855 -3.388) 8.441 5.143 ( -9.983 -5.806 1.056) 11.597 5.189 ( -7.567 -4.644 1.763) 9.052 5.806 ( -7.004 6.127 -0.435) 9.316 5.898 ( -13.720 7.489 -2.737) 15.869 6.172 ( -17.291 4.583 7.236) 19.296 6.585 ( -18.331 0.421 -3.997) 18.766 7.571 ( 5.696 4.688 2.967) 7.952 7.810 ( 1.467 0.851 -2.872) 3.336 9.588 ( -3.906 -10.671 3.331) 11.842 9.701 ( -3.798 -8.340 3.559) 9.831 9.984 ( -17.801 -10.614 1.431) 20.775 10.162 ( -6.628 0.450 -5.829) 8.838 10.428 ( -3.076 -5.084 -6.666) 8.930 10.763 ( -12.451 -1.957 -0.240) 12.606 10.870 ( -5.081 4.759 8.020) 10.620 11.115 ( -2.894 -0.782 -4.372) 5.301 11.333 ( -5.645 -6.881 -0.576) 8.918 11.383 ( -4.890 -2.085 1.254) 5.462 11.594 ( 2.513 -1.905 8.322) 8.900 12.060 ( -4.175 -1.348 4.080) 5.990 12.217 ( 8.535 -0.031 -6.639) 10.813 12.422 ( 6.156 1.108 -1.378) 6.405 12.755 ( 22.791 0.778 0.579) 22.811 13.301 ( 18.668 4.017 -9.274) 21.228 13.570 ( 1.090 0.794 5.383) 5.550 13.653 ( -2.377 -0.132 1.950) 3.077 15.499 ( 7.825 2.298 2.128) 8.428 16.066 ( -0.340 -3.209 -17.823) 18.112 16.931 ( 5.951 0.878 16.638) 17.693 17.493 ( 4.526 -3.894 -3.134) 6.743 ======================= Grid point 307 (105/219) ======================= q-point: (-0.44 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -8.551 7.898 -0.600) 11.656 2.576 ( -5.096 0.304 -7.440) 9.022 2.775 ( -5.611 4.342 3.738) 8.019 3.063 ( -11.795 -3.158 6.155) 13.674 3.134 ( -0.474 -3.740 3.226) 4.961 3.201 ( -2.343 -6.798 -8.680) 11.271 3.495 ( -1.457 -7.991 3.155) 8.713 3.683 ( -6.196 -1.108 -3.089) 7.012 4.150 ( -7.330 -12.665 -1.103) 14.675 4.233 ( -7.286 0.215 -5.005) 8.842 4.604 ( 0.663 7.980 7.355) 10.872 4.900 ( -18.362 -3.398 1.169) 18.710 5.003 ( 3.730 4.423 -3.244) 6.633 5.116 ( -3.174 -4.568 0.341) 5.573 5.514 ( -15.963 6.973 0.983) 17.447 5.731 ( -23.330 7.179 6.159) 25.174 5.753 ( 0.130 1.225 -1.281) 1.777 6.157 ( -24.426 2.592 -4.001) 24.887 7.651 ( 5.585 4.730 2.247) 7.656 7.833 ( 1.556 1.546 -2.177) 3.090 9.531 ( -10.468 -11.374 2.811) 15.711 9.669 ( -6.118 -4.205 5.782) 9.410 9.717 ( -11.608 -5.212 1.904) 12.866 10.099 ( -3.129 -7.577 -9.173) 12.302 10.384 ( -8.246 -9.892 -7.323) 14.815 10.582 ( -4.097 1.633 -1.870) 4.790 10.711 ( -8.803 -4.841 6.686) 12.068 10.957 ( -14.056 -5.354 -1.330) 15.100 11.246 ( -4.537 0.299 3.110) 5.508 11.377 ( -1.769 -8.440 -3.627) 9.355 11.698 ( 6.811 -0.009 5.169) 8.550 12.065 ( 2.538 -2.597 12.166) 12.696 12.325 ( 5.782 3.587 -8.092) 10.573 12.572 ( 8.504 -0.060 5.278) 10.009 13.085 ( 4.295 1.140 -10.558) 11.455 13.503 ( 2.227 2.655 -8.262) 8.959 13.556 ( 8.869 1.087 10.708) 13.947 13.837 ( 20.636 4.335 -0.751) 21.099 15.644 ( 7.545 0.946 0.922) 7.660 16.101 ( 1.874 -5.881 -15.766) 16.931 17.063 ( 8.604 1.673 15.991) 18.235 17.632 ( 7.100 -5.442 -3.213) 9.506 ======================= Grid point 308 (106/219) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -12.790 10.404 -0.508) 16.495 2.449 ( -7.616 0.900 -9.052) 11.864 2.582 ( -10.430 11.304 5.450) 16.318 2.840 ( -10.676 -2.477 4.956) 12.028 3.132 ( -3.188 -3.673 1.126) 4.993 3.242 ( -2.617 -12.258 -9.297) 15.605 3.492 ( -11.592 -5.751 1.944) 13.085 3.567 ( -1.605 -12.285 4.539) 13.194 3.963 ( -17.202 -12.864 -2.960) 21.683 4.068 ( -8.938 3.668 -7.726) 12.371 4.409 ( -21.567 9.985 4.137) 24.124 4.505 ( -17.087 2.622 7.583) 18.877 4.929 ( -18.845 -0.058 -6.754) 20.019 5.021 ( -5.297 10.712 -7.993) 14.377 5.242 ( -13.229 1.072 8.314) 15.662 5.394 ( 5.135 0.813 11.028) 12.193 5.594 ( -23.927 5.143 -2.533) 24.604 5.921 ( 7.257 -5.338 -4.688) 10.155 7.735 ( 5.885 3.728 1.330) 7.092 7.850 ( 1.418 2.248 -1.391) 3.000 9.297 ( -18.095 -7.857 3.099) 19.969 9.505 ( -8.432 -0.162 -1.345) 8.540 9.623 ( -5.594 -1.621 5.765) 8.195 10.033 ( -10.400 -9.273 -8.612) 16.380 10.237 ( -11.082 -2.376 1.277) 11.406 10.510 ( -3.530 -8.034 5.382) 10.294 10.692 ( -14.143 -7.671 0.504) 16.098 10.741 ( 3.211 -11.058 -9.218) 14.750 11.170 ( -3.621 0.014 2.231) 4.254 11.379 ( -4.203 -12.739 -5.464) 14.484 11.814 ( 5.690 3.382 5.371) 8.524 12.115 ( 0.275 1.047 15.091) 15.130 12.430 ( 6.831 2.576 -7.414) 10.405 12.711 ( 4.897 -1.212 9.702) 10.935 12.929 ( -12.355 1.160 -8.681) 15.144 13.461 ( -2.665 2.747 -7.069) 8.039 13.912 ( 23.196 3.511 5.208) 24.031 14.251 ( 23.644 5.436 -4.328) 24.644 15.770 ( 6.428 -0.359 0.643) 6.470 16.213 ( 5.451 -6.577 -15.544) 17.737 17.239 ( 10.564 1.384 16.689) 19.800 17.822 ( 8.970 -6.412 -3.061) 11.443 ======================= Grid point 309 (107/219) ======================= q-point: (-0.31 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -15.260 13.449 -0.288) 20.343 2.242 ( -13.168 17.131 8.374) 23.174 2.298 ( -10.181 0.071 -10.624) 14.714 2.686 ( -7.798 -2.392 4.346) 9.242 2.908 ( -23.544 -0.278 -2.981) 23.733 3.124 ( -16.355 -7.845 -5.627) 18.992 3.368 ( -7.972 -15.233 6.231) 18.288 3.563 ( -6.058 -5.563 2.142) 8.499 3.742 ( -22.014 1.272 2.861) 22.236 3.834 ( -12.245 2.441 -5.076) 13.478 3.900 ( -13.551 -9.485 -3.039) 16.818 4.131 ( -19.384 3.484 5.787) 20.527 4.421 ( -29.680 0.624 -2.053) 29.757 4.716 ( -13.725 11.220 -12.663) 21.785 5.178 ( -11.317 9.297 5.311) 15.579 5.256 ( 5.724 3.165 -1.465) 6.703 5.561 ( 9.162 -3.791 12.515) 15.967 6.150 ( 10.105 -10.314 -5.412) 15.420 7.834 ( 6.202 2.702 -0.092) 6.765 7.862 ( 1.530 3.186 -0.432) 3.561 8.977 ( -18.885 -5.230 3.676) 19.938 9.323 ( -11.689 -1.075 -5.394) 12.918 9.499 ( -7.762 0.463 3.679) 8.602 9.820 ( -16.588 -4.779 -4.846) 17.930 10.000 ( -12.447 -2.147 7.389) 14.633 10.464 ( -12.410 -4.183 -1.014) 13.135 10.525 ( -4.337 -10.365 3.012) 11.632 10.901 ( 4.228 -9.397 -8.612) 13.429 11.116 ( -2.204 -6.179 2.784) 7.127 11.389 ( -2.384 -15.568 -7.202) 17.318 11.874 ( 3.858 5.685 6.870) 9.716 12.040 ( -4.687 3.938 12.786) 14.176 12.543 ( 5.080 -1.251 -4.107) 6.651 12.671 ( -9.837 0.460 -4.669) 10.899 12.817 ( 2.039 2.364 3.535) 4.716 13.420 ( 0.490 1.437 -7.380) 7.535 14.314 ( 20.921 6.111 3.166) 22.024 14.624 ( 17.282 5.015 -3.932) 18.420 15.928 ( 10.001 -1.387 -0.331) 10.102 16.347 ( 4.409 -4.186 -16.808) 17.874 17.449 ( 11.758 0.205 18.899) 22.259 18.043 ( 9.863 -6.781 -2.327) 12.194 ======================= Grid point 310 (108/219) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -14.504 17.430 0.847) 22.691 1.832 ( -18.224 19.067 11.909) 28.939 2.124 ( -8.483 0.976 -13.147) 15.677 2.336 ( -31.820 2.176 -3.792) 32.119 2.507 ( -17.754 6.116 9.572) 21.077 2.747 ( -16.491 -1.129 -6.187) 17.649 3.143 ( -23.811 0.672 4.480) 24.238 3.190 ( -22.921 0.671 4.642) 23.396 3.508 ( -2.156 -11.675 3.408) 12.352 3.601 ( -17.503 1.212 1.016) 17.574 3.698 ( -22.518 -0.477 -0.206) 22.524 3.866 ( -5.643 -10.567 1.979) 12.142 4.122 ( -2.830 -21.397 -8.953) 23.367 4.414 ( -8.081 13.900 -19.469) 25.250 5.029 ( -0.299 12.021 11.808) 16.853 5.338 ( 5.126 6.008 -4.768) 9.225 5.754 ( 7.924 -5.110 14.371) 17.188 6.397 ( 8.286 -12.475 -5.785) 16.054 7.857 ( 1.151 5.592 0.341) 5.719 7.945 ( 5.959 2.948 -1.800) 6.888 8.641 ( -19.286 -6.068 3.950) 20.601 9.054 ( -18.157 -2.516 -7.592) 19.840 9.274 ( -18.903 -1.770 2.309) 19.126 9.461 ( -20.979 0.048 -0.893) 20.998 9.812 ( -6.890 4.805 7.163) 11.039 10.169 ( -13.447 5.981 -2.258) 14.890 10.556 ( 1.106 -15.113 4.555) 15.823 11.003 ( 1.175 -11.671 -7.141) 13.733 11.182 ( 2.969 -9.925 3.451) 10.919 11.470 ( -0.556 -17.000 -6.859) 18.340 11.940 ( 8.068 5.931 1.054) 10.069 11.975 ( -0.543 0.644 12.085) 12.114 12.446 ( -10.938 4.818 -7.207) 13.957 12.623 ( 1.660 -2.567 1.377) 3.353 12.842 ( 2.264 4.967 0.322) 5.468 13.444 ( 1.024 0.127 -11.077) 11.125 14.619 ( 14.343 7.080 2.792) 16.237 14.837 ( 8.511 5.618 -1.865) 10.367 16.156 ( 12.260 -0.225 -2.761) 12.569 16.407 ( 0.123 -0.572 -17.824) 17.834 17.684 ( 12.158 -2.467 22.914) 26.057 18.271 ( 9.474 -7.177 -0.799) 11.912 ======================= Grid point 311 (109/219) ======================= q-point: (-0.19 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -9.458 22.094 4.214) 24.400 1.290 ( -27.732 16.761 8.086) 33.397 1.714 ( -27.542 4.290 -4.298) 28.203 1.910 ( -12.008 23.883 12.253) 29.406 2.066 ( -7.846 14.223 -3.548) 16.627 2.598 ( -6.839 -2.406 -2.634) 7.714 2.727 ( -16.182 -0.791 -0.214) 16.203 2.872 ( -11.236 -10.914 2.321) 15.835 3.229 ( -17.192 -1.064 0.836) 17.245 3.247 ( -17.710 1.364 -0.199) 17.764 3.604 ( 0.556 -13.020 3.882) 13.598 3.940 ( 2.384 -15.254 2.677) 15.670 4.189 ( -1.078 5.193 -18.411) 19.159 4.329 ( 1.317 -15.361 -9.661) 18.194 4.974 ( 1.398 12.525 13.016) 18.117 5.375 ( 2.956 8.509 -6.958) 11.382 5.912 ( 5.240 -5.214 16.106) 17.721 6.598 ( 4.860 -12.361 -6.159) 14.641 7.839 ( 1.036 8.950 0.285) 9.014 7.961 ( -5.302 4.274 -0.716) 6.847 8.351 ( -13.179 -2.992 -0.670) 13.531 8.565 ( -28.799 3.872 -1.487) 29.097 8.871 ( -17.387 0.065 3.533) 17.742 9.118 ( -13.421 1.370 -2.085) 13.651 9.689 ( -0.861 14.295 -1.063) 14.360 9.992 ( -4.380 0.129 -5.767) 7.243 10.721 ( 4.507 -18.628 5.923) 20.060 11.146 ( 7.659 -12.893 -4.929) 15.785 11.292 ( 1.127 -11.510 3.197) 11.999 11.518 ( -4.874 -16.963 -7.849) 19.316 11.991 ( 1.958 -1.385 12.021) 12.258 12.113 ( 11.351 5.313 -2.092) 12.706 12.245 ( -5.695 6.178 -2.195) 8.685 12.637 ( -1.275 -1.974 3.851) 4.512 12.838 ( 0.798 6.580 -5.577) 8.662 13.400 ( -5.307 4.656 -20.752) 21.920 14.765 ( 4.795 5.544 3.453) 8.103 14.913 ( 4.340 8.493 -1.081) 9.599 16.310 ( -0.639 1.319 -5.695) 5.881 16.400 ( 4.692 4.828 -15.411) 16.818 17.946 ( 11.410 -10.070 28.588) 32.386 18.474 ( 6.699 -7.658 1.474) 10.280 ======================= Grid point 312 (110/219) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 22.840 9.940) 24.909 0.801 ( -0.000 23.608 10.071) 25.666 1.379 ( -0.000 5.660 -5.864) 8.150 1.578 ( -0.000 39.309 31.299) 50.248 1.967 ( -0.000 6.063 -12.147) 13.576 2.508 ( 0.000 -1.088 0.819) 1.362 2.572 ( 0.000 -0.156 -0.798) 0.813 2.895 ( 0.000 -20.775 -4.471) 21.251 3.036 ( -0.000 0.104 0.421) 0.434 3.066 ( -0.000 1.187 -0.322) 1.230 3.673 ( 0.000 -7.857 0.212) 7.860 4.081 ( 0.000 -16.012 4.448) 16.618 4.129 ( -0.000 5.688 -10.648) 12.072 4.475 ( 0.000 -23.178 -9.699) 25.125 4.921 ( -0.000 11.542 12.940) 17.339 5.348 ( -0.000 10.818 -8.335) 13.657 6.001 ( 0.000 -4.880 16.955) 17.643 6.714 ( 0.000 -10.525 -6.668) 12.459 7.690 ( -0.000 8.543 2.559) 8.918 7.927 ( -0.000 14.664 6.307) 15.963 7.967 ( -0.000 9.912 -5.033) 11.117 8.392 ( -0.000 4.436 -7.167) 8.429 8.662 ( -0.000 0.173 5.459) 5.462 8.974 ( -0.000 0.981 -3.000) 3.156 9.584 ( -0.000 18.482 -7.318) 19.878 9.958 ( 0.000 -1.263 -9.137) 9.224 10.885 ( 0.000 -18.583 8.571) 20.465 11.345 ( 0.000 -12.213 0.701) 12.233 11.406 ( 0.000 -11.772 -0.826) 11.801 11.501 ( 0.000 -15.948 -13.202) 20.704 12.043 ( 0.000 -3.767 14.369) 14.854 12.162 ( -0.000 4.983 0.770) 5.042 12.219 ( -0.000 4.922 -0.646) 4.964 12.624 ( 0.000 -2.034 2.877) 3.524 12.802 ( -0.000 7.599 -8.469) 11.379 13.233 ( -0.000 16.945 -27.883) 32.628 14.773 ( -0.000 4.110 3.577) 5.449 14.904 ( -0.000 9.662 -1.173) 9.733 16.238 ( -0.000 6.712 -7.045) 9.731 16.439 ( -0.000 5.543 -10.133) 11.550 18.186 ( 0.000 -22.913 30.542) 38.182 18.591 ( 0.000 -7.751 3.497) 8.503 ======================= Grid point 317 (111/219) ======================= q-point: ( 0.19 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 7.483 -0.000 3.592) 8.300 2.581 ( 5.675 -0.000 -1.937) 5.997 3.008 ( 2.359 -0.000 -5.216) 5.724 3.103 ( 12.237 -0.000 -3.287) 12.671 3.430 ( -1.654 0.000 -6.333) 6.546 3.445 ( -1.788 0.000 -5.536) 5.817 3.769 ( -3.355 0.000 7.316) 8.049 3.797 ( 1.479 -0.000 12.523) 12.610 4.244 ( -0.455 0.000 -1.785) 1.842 4.251 ( -3.493 0.000 -9.225) 9.864 4.714 ( -10.707 0.000 9.998) 14.649 4.943 ( 10.641 -0.000 1.342) 10.726 4.982 ( 14.692 -0.000 -1.996) 14.827 5.196 ( -16.117 0.000 -2.980) 16.390 5.684 ( 22.440 -0.000 0.872) 22.457 5.793 ( 18.977 -0.000 -1.980) 19.080 6.026 ( 15.376 -0.000 5.631) 16.375 6.417 ( 20.501 -0.000 -4.192) 20.925 7.365 ( -4.311 0.000 5.042) 6.634 7.766 ( -0.453 0.000 -4.938) 4.958 9.870 ( 13.590 -0.000 5.435) 14.636 10.019 ( 8.632 -0.000 -0.797) 8.669 10.294 ( -2.348 0.000 -0.659) 2.439 10.384 ( 3.894 -0.000 -0.834) 3.982 10.510 ( 5.847 -0.000 7.158) 9.242 10.924 ( -4.044 0.000 -8.393) 9.316 11.099 ( -1.864 0.000 3.907) 4.329 11.190 ( -4.686 0.000 -4.135) 6.250 11.462 ( 2.814 -0.000 -11.636) 11.971 11.584 ( 10.379 -0.000 11.444) 15.449 11.774 ( 10.784 -0.000 -5.634) 12.168 12.040 ( -6.472 0.000 7.173) 9.662 12.118 ( 6.200 -0.000 6.420) 8.925 12.258 ( -20.795 0.000 7.065) 21.962 12.824 ( -29.466 0.000 -6.499) 30.174 12.992 ( -10.204 0.000 -14.365) 17.620 13.542 ( -0.347 0.000 7.066) 7.075 13.647 ( 5.991 -0.000 0.791) 6.043 15.523 ( -4.250 0.000 2.626) 4.996 16.123 ( -4.532 0.000 -19.998) 20.505 16.916 ( -6.371 0.000 20.313) 21.288 17.631 ( -8.639 0.000 -4.940) 9.952 ======================= Grid point 318 (112/219) ======================= q-point: ( 0.25 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.728 -0.836 3.108) 5.719 2.654 ( 2.271 -0.191 -3.966) 4.574 3.023 ( -0.364 1.259 3.224) 3.480 3.273 ( 3.202 1.376 -3.720) 5.098 3.390 ( 0.590 3.828 -8.509) 9.349 3.438 ( -0.047 -4.146 -7.010) 8.144 3.725 ( -1.077 -0.951 6.958) 7.105 3.804 ( -0.866 0.727 9.710) 9.776 4.164 ( -0.867 7.776 -3.549) 8.592 4.261 ( -4.055 -7.062 -4.113) 9.123 4.528 ( -6.246 -1.668 8.546) 10.716 4.871 ( -11.459 6.375 -2.545) 13.357 5.144 ( 5.080 -6.650 -0.055) 8.369 5.209 ( 7.985 -1.041 -2.256) 8.363 5.990 ( 10.538 3.033 2.160) 11.177 6.093 ( 12.024 0.396 -1.597) 12.136 6.320 ( 13.703 -0.348 5.297) 14.695 6.734 ( 11.580 -1.867 -4.632) 12.611 7.328 ( 0.654 -0.546 5.791) 5.854 7.766 ( 0.381 -0.091 -5.168) 5.182 10.025 ( -7.079 3.230 -2.750) 8.253 10.149 ( 4.289 -1.150 0.746) 4.503 10.160 ( -0.373 4.913 3.705) 6.165 10.365 ( 0.480 -6.119 7.988) 10.073 10.668 ( -12.325 1.731 1.749) 12.569 10.795 ( 12.350 0.609 -0.968) 12.403 10.994 ( -6.107 0.452 -3.250) 6.932 11.238 ( 3.113 1.222 -11.258) 11.744 11.529 ( 2.121 0.018 -3.036) 3.703 11.664 ( 0.452 0.986 9.968) 10.027 11.842 ( -11.927 5.048 3.507) 13.417 11.939 ( -5.641 -3.652 9.389) 11.546 12.127 ( 10.870 0.604 -3.971) 11.589 12.163 ( -2.200 -3.928 -1.093) 4.633 12.403 ( -7.630 0.835 -2.441) 8.054 12.769 ( -12.982 -1.060 -9.275) 15.990 13.548 ( 0.792 0.996 4.873) 5.037 13.720 ( 1.706 -0.654 -0.698) 1.956 15.463 ( -1.627 1.613 2.614) 3.476 16.056 ( -2.442 -0.333 -19.417) 19.573 16.822 ( -3.333 -0.438 19.307) 19.597 17.484 ( -6.329 0.048 -4.332) 7.670 ======================= Grid point 319 (113/219) ======================= q-point: ( 0.31 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 2.975 -1.246 2.487) 4.073 2.682 ( 0.664 -0.586 -3.688) 3.793 2.985 ( -2.624 1.147 6.221) 6.848 3.216 ( -3.395 6.560 -4.731) 8.771 3.406 ( -0.320 -0.331 -6.307) 6.324 3.458 ( -1.123 -1.903 -4.377) 4.904 3.733 ( 0.187 -0.551 4.725) 4.761 3.789 ( -0.025 -4.424 6.034) 7.482 4.061 ( -8.388 4.619 -0.580) 9.593 4.187 ( -3.171 -2.149 -6.649) 7.674 4.505 ( 1.390 -1.685 6.679) 7.027 4.737 ( 0.840 2.857 -1.190) 3.207 5.224 ( -0.437 -5.535 0.037) 5.552 5.300 ( 0.992 -1.017 -2.338) 2.736 6.081 ( 1.808 4.271 3.565) 5.849 6.235 ( 2.927 0.990 -1.618) 3.488 6.503 ( 5.052 2.052 4.073) 6.807 6.868 ( 0.742 -3.538 -4.142) 5.498 7.396 ( 5.844 0.426 4.953) 7.673 7.778 ( 0.803 0.127 -4.434) 4.508 9.815 ( -11.192 2.998 -0.845) 11.617 9.879 ( -13.696 1.000 0.462) 13.740 10.335 ( -7.846 -4.968 6.499) 11.334 10.418 ( 5.018 -1.848 5.527) 7.691 10.536 ( 2.304 0.127 0.376) 2.338 10.725 ( -10.017 -0.455 -5.111) 11.254 11.073 ( 5.352 2.038 4.141) 7.067 11.221 ( -4.968 -0.010 -9.307) 10.549 11.575 ( 5.758 0.132 -7.882) 9.762 11.598 ( -7.112 -0.219 8.010) 10.714 11.640 ( -4.941 -1.001 -0.171) 5.044 11.860 ( -14.302 0.604 -0.590) 14.327 12.016 ( 10.239 1.586 9.598) 14.123 12.387 ( 3.526 2.618 -2.444) 5.026 12.508 ( -5.807 -2.077 -4.043) 7.375 12.555 ( 11.210 -3.098 -4.228) 12.375 13.555 ( 1.290 3.209 3.696) 5.062 13.733 ( -1.063 -2.100 -0.780) 2.480 15.439 ( 0.943 4.297 2.551) 5.085 16.032 ( -0.731 -1.257 -18.994) 19.049 16.797 ( 0.312 -0.942 18.153) 18.180 17.399 ( -2.719 -0.786 -3.588) 4.570 ======================= Grid point 320 (114/219) ======================= q-point: (-0.62 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 1.203 -0.727 1.086) 1.776 2.690 ( -0.351 -0.584 -3.080) 3.154 2.918 ( -3.949 -0.798 6.768) 7.876 3.114 ( -3.214 5.339 -3.366) 7.083 3.346 ( -3.607 7.847 0.350) 8.643 3.416 ( -5.096 -6.922 -4.246) 9.587 3.713 ( -4.812 -1.191 -2.142) 5.400 3.830 ( -8.583 1.358 1.759) 8.866 3.864 ( 1.684 -8.874 3.357) 9.636 4.205 ( 2.889 -1.354 -8.644) 9.214 4.567 ( 4.900 2.609 7.954) 9.699 4.816 ( 6.896 0.909 -0.949) 7.020 5.195 ( -5.805 -5.568 0.004) 8.043 5.266 ( -4.941 -1.361 -1.705) 5.401 6.026 ( -4.457 4.813 3.238) 7.315 6.189 ( -6.565 2.542 -1.513) 7.200 6.476 ( -5.782 4.538 3.914) 8.327 6.812 ( -8.535 -3.432 -3.670) 9.904 7.515 ( 6.762 2.223 3.466) 7.917 7.794 ( 1.101 0.335 -3.295) 3.490 9.597 ( -9.544 -0.997 2.032) 9.808 9.682 ( -8.256 -4.853 0.927) 9.622 10.132 ( -15.799 -8.392 3.511) 18.230 10.342 ( -6.981 0.708 -6.630) 9.654 10.498 ( -8.660 0.791 -0.715) 8.726 10.774 ( 8.950 -1.637 10.500) 13.894 11.050 ( -7.182 1.865 -2.965) 7.990 11.127 ( -0.967 -0.742 -2.709) 2.971 11.445 ( -11.020 0.723 -2.247) 11.270 11.499 ( -9.284 -0.786 0.077) 9.318 11.566 ( -3.751 -2.030 6.583) 7.844 11.935 ( 16.004 -2.190 -9.281) 18.630 12.184 ( -0.745 3.633 2.193) 4.308 12.336 ( 2.525 -1.833 3.236) 4.495 12.449 ( 5.704 0.375 1.563) 5.927 12.940 ( 20.785 -0.661 -6.706) 21.850 13.566 ( 1.984 3.380 3.416) 5.199 13.704 ( -3.339 -2.381 0.052) 4.102 15.456 ( 3.925 5.168 2.277) 6.878 16.032 ( -0.727 -2.342 -18.048) 18.214 16.842 ( 3.803 -0.332 16.696) 17.127 17.390 ( 0.869 -1.998 -2.979) 3.691 ======================= Grid point 321 (115/219) ======================= q-point: (-0.56 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -1.519 1.538 -0.542) 2.228 2.661 ( -2.609 1.616 -3.893) 4.957 2.855 ( -3.844 -3.844 6.408) 8.403 3.042 ( -2.482 0.384 -1.351) 2.852 3.214 ( -5.134 5.416 2.636) 7.914 3.341 ( -6.816 -3.553 -4.752) 9.037 3.515 ( -10.727 -0.352 1.977) 10.914 3.764 ( -1.699 0.929 -3.200) 3.740 3.960 ( -0.110 -14.349 2.398) 14.548 4.268 ( 1.551 -1.466 -9.624) 9.858 4.646 ( 5.473 5.384 9.465) 12.187 4.949 ( 6.782 0.864 -1.080) 6.922 5.075 ( -9.571 -4.539 -0.311) 10.597 5.151 ( -7.331 -2.746 -0.300) 7.835 5.868 ( -8.962 4.682 1.100) 10.171 5.970 ( -13.114 4.390 -0.259) 13.832 6.235 ( -15.870 6.220 4.079) 17.527 6.579 ( -17.295 -1.392 -3.744) 17.751 7.619 ( 5.862 3.578 2.488) 7.304 7.819 ( 1.713 0.590 -2.372) 2.985 9.477 ( -6.379 -8.206 3.190) 10.872 9.609 ( -3.224 -7.228 1.858) 8.130 9.872 ( -15.845 -8.533 2.426) 18.159 10.178 ( -8.458 2.170 -5.555) 10.349 10.368 ( -6.484 -5.212 -6.226) 10.391 10.748 ( -10.178 -0.311 4.745) 11.234 10.933 ( -6.180 5.530 3.450) 8.982 11.106 ( -5.019 -0.900 -4.973) 7.123 11.252 ( -6.737 -6.751 -1.751) 9.696 11.361 ( -5.099 -1.970 0.681) 5.509 11.581 ( 3.711 -0.408 9.950) 10.628 12.046 ( -5.600 -0.902 5.106) 7.632 12.208 ( 10.028 -1.345 -6.362) 11.952 12.441 ( 6.138 1.921 -3.456) 7.301 12.761 ( 22.974 0.311 2.137) 23.075 13.335 ( 19.593 1.918 -9.386) 21.809 13.579 ( -1.266 0.656 4.816) 5.022 13.651 ( 0.128 -0.234 2.250) 2.266 15.534 ( 6.785 3.508 1.305) 7.748 16.025 ( -1.851 -3.869 -15.829) 16.400 16.943 ( 6.885 1.125 14.847) 16.405 17.450 ( 3.707 -3.414 -2.602) 5.672 ======================= Grid point 322 (116/219) ======================= q-point: (-0.50 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -6.622 7.059 -1.334) 9.770 2.580 ( -4.844 1.030 -5.443) 7.359 2.801 ( -4.056 -1.282 3.937) 5.796 3.001 ( -4.362 -4.349 2.703) 6.727 3.119 ( -3.324 -1.749 2.708) 4.630 3.169 ( -9.078 2.476 -4.127) 10.275 3.411 ( -2.863 -6.389 2.803) 7.541 3.679 ( -7.923 0.068 -3.063) 8.494 3.981 ( -7.932 -15.195 0.285) 17.143 4.242 ( -4.709 0.579 -10.027) 11.093 4.692 ( 1.391 5.847 10.091) 11.745 4.866 ( -14.377 -1.066 1.274) 14.473 5.032 ( -1.171 -1.240 -0.888) 1.923 5.074 ( 0.847 -1.142 -2.186) 2.608 5.588 ( -15.582 5.664 1.122) 16.618 5.741 ( -14.579 -0.357 5.387) 15.546 5.842 ( -13.172 8.660 -1.023) 15.797 6.178 ( -23.876 1.054 -3.949) 24.224 7.702 ( 5.151 3.994 1.870) 6.781 7.850 ( 2.099 1.440 -1.749) 3.089 9.398 ( -9.351 -10.774 3.433) 14.674 9.615 ( -3.173 -5.411 2.533) 6.765 9.650 ( -8.918 -5.930 3.105) 11.151 10.035 ( -6.319 -3.306 -6.051) 9.352 10.274 ( -8.311 -9.008 -7.106) 14.167 10.586 ( -4.371 -0.882 -4.488) 6.326 10.697 ( -13.968 2.057 7.823) 16.141 10.906 ( -15.050 -3.311 -2.239) 15.572 11.212 ( -4.017 -6.586 -1.712) 7.903 11.307 ( -3.454 -2.884 0.235) 4.506 11.702 ( 8.272 0.802 6.646) 10.641 12.038 ( 3.113 -2.093 12.414) 12.969 12.349 ( 5.683 0.624 -6.216) 8.445 12.581 ( 8.738 1.566 2.184) 9.142 13.101 ( 4.834 1.556 -9.601) 10.861 13.526 ( 0.691 1.383 -7.507) 7.664 13.570 ( 10.653 1.161 10.848) 15.248 13.880 ( 22.088 3.058 -1.788) 22.370 15.659 ( 7.075 1.674 0.060) 7.271 16.027 ( -0.094 -6.689 -13.154) 14.757 17.087 ( 9.154 2.383 13.436) 16.432 17.570 ( 6.242 -5.156 -2.377) 8.438 ======================= Grid point 323 (117/219) ======================= q-point: (-0.44 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -10.773 10.879 -2.043) 15.446 2.456 ( -7.555 1.165 -8.405) 11.361 2.698 ( -5.994 5.525 3.621) 8.920 2.835 ( -11.188 3.526 8.921) 14.737 3.087 ( -2.218 -3.871 2.098) 4.930 3.103 ( -2.804 -11.213 -7.727) 13.904 3.435 ( -15.218 -6.349 1.160) 16.530 3.442 ( -2.378 -6.979 1.843) 7.600 3.810 ( -17.375 -13.023 -1.396) 21.759 4.100 ( -9.449 1.921 -11.603) 15.086 4.483 ( -23.218 2.222 3.644) 23.607 4.584 ( -11.114 10.943 8.868) 17.941 4.916 ( -14.177 -1.904 -5.395) 15.288 5.124 ( 1.348 6.298 -6.245) 8.971 5.254 ( -21.585 1.529 9.619) 23.680 5.397 ( -0.185 -0.062 8.239) 8.241 5.654 ( -21.663 4.961 -3.223) 22.456 5.865 ( 3.083 -4.174 -4.621) 6.949 7.777 ( 5.142 3.454 1.186) 6.307 7.878 ( 1.969 2.500 -1.207) 3.404 9.208 ( -15.261 -7.118 3.830) 17.269 9.483 ( -8.671 -3.514 -1.812) 9.530 9.617 ( -2.869 0.106 5.141) 5.888 9.935 ( -9.096 -7.087 -5.919) 12.962 10.191 ( -5.520 -6.431 -2.521) 8.842 10.432 ( -11.000 -4.738 7.273) 14.012 10.611 ( -15.096 -6.282 -0.660) 16.364 10.626 ( 1.726 -8.151 -7.919) 11.495 11.165 ( -3.911 -2.857 -1.406) 5.044 11.244 ( -6.372 -8.765 -2.939) 11.228 11.849 ( 7.220 2.668 6.201) 9.885 12.126 ( 3.752 0.850 15.009) 15.495 12.439 ( 3.405 -0.694 -3.508) 4.937 12.722 ( 6.339 2.506 6.208) 9.219 12.946 ( -12.182 1.775 -8.620) 15.028 13.484 ( -3.123 1.352 -7.779) 8.491 13.954 ( 24.988 3.711 5.463) 25.846 14.310 ( 23.466 4.594 -4.501) 24.332 15.768 ( 5.457 0.088 -0.237) 5.463 16.125 ( 5.389 -8.382 -12.489) 15.977 17.262 ( 10.561 2.621 13.657) 17.462 17.746 ( 8.402 -6.628 -2.118) 10.910 ======================= Grid point 324 (118/219) ======================= q-point: (-0.38 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -12.504 14.702 -2.911) 19.519 2.289 ( -8.927 0.458 -11.844) 14.839 2.447 ( -13.320 15.985 7.438) 22.097 2.660 ( -6.675 -1.677 9.118) 11.424 2.912 ( -23.918 0.362 -4.327) 24.309 3.044 ( -9.573 -5.802 -3.690) 11.786 3.195 ( -8.186 -14.077 4.861) 16.994 3.491 ( -3.907 -6.848 2.745) 8.348 3.596 ( -9.446 -18.836 -4.795) 21.611 3.830 ( -18.047 -0.391 -9.016) 20.178 3.965 ( -24.390 10.042 5.291) 26.902 4.192 ( -22.074 7.597 6.298) 24.179 4.442 ( -31.450 2.847 -1.933) 31.638 4.833 ( -12.564 8.526 -8.735) 17.517 5.269 ( -4.174 3.123 2.783) 5.909 5.279 ( 0.737 4.121 1.635) 4.495 5.513 ( 7.089 -4.625 9.168) 12.478 6.032 ( 7.779 -9.761 -5.377) 13.590 7.865 ( 5.888 2.502 0.058) 6.398 7.899 ( 2.024 3.134 -0.548) 3.771 8.924 ( -17.479 -3.790 4.351) 18.407 9.302 ( -12.580 -2.420 -5.022) 13.760 9.513 ( -7.901 1.576 2.934) 8.575 9.768 ( -11.807 -3.332 -4.988) 13.243 9.997 ( -12.903 0.893 7.618) 15.011 10.372 ( -11.323 -9.454 -0.956) 14.782 10.414 ( -1.243 -10.474 2.492) 10.838 10.769 ( 2.654 -13.020 -6.536) 14.808 11.082 ( -4.813 -0.008 -1.138) 4.945 11.205 ( -3.924 -15.723 -5.298) 17.050 11.936 ( 4.621 4.952 7.500) 10.105 12.098 ( -4.418 5.801 12.360) 14.351 12.503 ( 2.735 -4.598 3.495) 6.391 12.693 ( -7.401 2.581 -7.725) 11.005 12.854 ( 3.711 3.577 0.968) 5.244 13.430 ( -1.102 0.347 -8.574) 8.651 14.387 ( 22.222 6.304 2.996) 23.292 14.680 ( 17.000 4.508 -3.559) 17.944 15.912 ( 10.028 -1.192 -1.011) 10.149 16.284 ( 5.500 -6.616 -14.009) 16.440 17.460 ( 11.264 1.689 15.605) 19.320 17.960 ( 9.385 -7.425 -1.505) 12.062 ======================= Grid point 325 (119/219) ======================= q-point: (-0.31 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -11.002 19.328 -3.241) 22.475 2.030 ( -20.804 14.618 7.012) 26.376 2.131 ( -7.265 0.573 -13.827) 15.630 2.352 ( -31.405 0.787 -2.154) 31.488 2.554 ( -5.484 2.624 9.960) 11.669 2.769 ( -15.458 3.855 -3.006) 16.213 3.089 ( -15.381 -7.354 3.751) 17.456 3.278 ( -26.391 10.178 3.763) 28.535 3.378 ( -7.425 -9.460 3.111) 12.422 3.630 ( -14.323 2.590 2.504) 14.769 3.653 ( -14.174 -8.142 -2.747) 16.575 3.760 ( -11.915 -7.651 1.578) 14.248 3.906 ( -16.680 -12.398 -4.883) 21.349 4.576 ( -6.740 13.431 -19.118) 24.317 5.153 ( -0.162 9.212 11.730) 14.916 5.383 ( 5.285 1.978 -2.983) 6.383 5.688 ( 6.981 -6.619 11.240) 14.794 6.244 ( 6.899 -13.460 -5.570) 16.118 7.917 ( 2.570 4.482 -0.025) 5.166 7.978 ( 6.757 2.490 -1.429) 7.342 8.590 ( -18.800 -2.604 4.905) 19.603 9.025 ( -18.010 -2.488 -7.069) 19.507 9.259 ( -19.001 -0.591 3.240) 19.284 9.474 ( -18.009 2.318 -3.102) 18.421 9.846 ( -2.172 1.630 7.478) 7.956 10.235 ( -9.258 2.800 -2.937) 10.108 10.396 ( -2.224 -10.873 5.312) 12.304 10.847 ( -1.378 -15.063 -6.653) 16.524 11.072 ( 1.241 -8.395 1.254) 8.579 11.263 ( -1.822 -17.980 -4.447) 18.611 11.990 ( 0.234 3.485 7.272) 8.067 12.020 ( 6.088 5.838 6.380) 10.576 12.495 ( -9.099 3.411 -4.548) 10.729 12.594 ( 1.971 -1.983 3.304) 4.328 12.899 ( 3.008 4.812 -1.885) 5.980 13.439 ( 0.892 -1.063 -10.893) 10.981 14.703 ( 14.209 7.325 2.787) 16.227 14.901 ( 9.692 5.285 -1.399) 11.128 16.152 ( 13.022 -0.579 -3.360) 13.461 16.385 ( 1.939 -3.124 -15.620) 16.047 17.667 ( 10.652 -0.348 18.945) 21.737 18.181 ( 8.756 -8.136 -0.300) 11.956 ======================= Grid point 326 (120/219) ======================= q-point: (-0.25 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -6.380 23.966 -2.004) 24.882 1.481 ( -25.306 15.967 4.750) 30.297 1.766 ( -25.619 4.545 -2.928) 26.183 2.025 ( -3.041 2.247 -14.543) 15.027 2.357 ( -5.549 25.559 12.944) 29.182 2.580 ( -3.753 0.399 -0.019) 3.774 2.728 ( -18.956 2.640 5.750) 19.984 2.797 ( -16.486 -1.117 3.540) 16.899 3.226 ( -17.688 0.388 1.253) 17.737 3.264 ( -17.107 1.236 -0.270) 17.153 3.420 ( -1.145 -17.004 7.262) 18.525 3.783 ( 1.159 -12.440 -1.378) 12.569 3.976 ( 0.746 -26.468 -9.116) 28.004 4.417 ( -1.745 14.945 -20.895) 25.748 5.109 ( 1.056 10.600 13.460) 17.165 5.447 ( 2.989 3.960 -5.100) 7.115 5.841 ( 4.525 -7.143 13.424) 15.865 6.437 ( 4.275 -15.035 -5.669) 16.627 7.938 ( 2.026 7.772 -0.402) 8.042 8.032 ( -1.440 7.262 0.226) 7.407 8.316 ( -6.599 -2.906 1.538) 7.373 8.608 ( -24.845 2.993 -4.431) 25.414 8.873 ( -17.315 0.448 5.254) 18.100 9.140 ( -13.525 2.397 -2.466) 13.956 9.825 ( 1.222 7.369 1.857) 7.697 10.040 ( -4.650 9.616 -2.592) 10.991 10.503 ( 2.662 -18.095 5.199) 19.014 10.974 ( 6.173 -16.636 -6.861) 19.025 11.145 ( -1.388 -13.380 2.198) 13.630 11.302 ( -5.630 -19.322 -5.040) 20.747 11.994 ( 2.543 1.553 11.964) 12.330 12.175 ( 10.606 5.220 -1.332) 11.896 12.310 ( -6.248 5.100 -1.158) 8.148 12.619 ( -0.529 -1.009 5.383) 5.502 12.906 ( 0.809 5.260 -5.873) 7.925 13.435 ( -1.790 1.508 -18.133) 18.283 14.834 ( 4.187 6.213 4.256) 8.617 15.013 ( 6.083 8.504 -1.293) 10.536 16.317 ( 1.034 -0.082 -4.713) 4.826 16.441 ( 5.907 2.133 -15.848) 17.047 17.862 ( 7.828 -4.662 23.483) 25.189 18.375 ( 5.864 -9.069 1.383) 10.888 ======================= Grid point 327 (121/219) ======================= q-point: (-0.19 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 21.727 6.009) 22.543 1.103 ( -0.000 27.262 0.150) 27.262 1.452 ( -0.000 6.633 -4.251) 7.879 1.965 ( -0.000 13.786 -3.145) 14.141 2.116 ( -0.000 31.760 10.590) 33.479 2.494 ( 0.000 -1.397 0.856) 1.639 2.570 ( 0.000 -0.159 -1.080) 1.091 2.692 ( 0.000 -13.434 5.026) 14.344 3.039 ( -0.000 0.314 0.625) 0.699 3.080 ( -0.000 1.312 -0.434) 1.382 3.520 ( 0.000 -17.289 6.464) 18.457 3.879 ( 0.000 -14.850 0.721) 14.868 4.133 ( 0.000 -22.076 -12.218) 25.231 4.327 ( -0.000 10.036 -17.724) 20.368 5.058 ( -0.000 11.407 13.509) 17.680 5.447 ( -0.000 6.205 -6.706) 9.136 5.930 ( 0.000 -7.140 15.248) 16.837 6.567 ( 0.000 -14.537 -5.925) 15.698 7.807 ( -0.000 11.471 2.624) 11.767 8.077 ( -0.000 9.650 4.555) 10.671 8.103 ( -0.000 13.218 -5.821) 14.442 8.407 ( 0.000 -1.110 -3.567) 3.736 8.666 ( -0.000 0.641 6.159) 6.192 8.989 ( -0.000 1.743 -2.977) 3.450 9.776 ( -0.000 14.062 -3.082) 14.396 9.960 ( -0.000 3.514 -4.286) 5.542 10.652 ( 0.000 -20.577 7.382) 21.861 11.188 ( 0.000 -14.648 0.782) 14.669 11.255 ( 0.000 -14.090 -0.884) 14.118 11.270 ( 0.000 -22.740 -12.924) 26.156 12.029 ( -0.000 0.755 14.541) 14.561 12.218 ( -0.000 4.467 0.755) 4.530 12.275 ( -0.000 4.485 -0.653) 4.532 12.607 ( 0.000 -0.771 4.250) 4.319 12.879 ( -0.000 5.787 -7.572) 9.530 13.372 ( -0.000 7.742 -25.298) 26.456 14.831 ( -0.000 5.815 4.853) 7.574 15.019 ( -0.000 9.987 -1.583) 10.111 16.291 ( -0.000 2.814 -5.842) 6.485 16.498 ( -0.000 4.158 -13.742) 14.358 17.994 ( 0.000 -10.987 27.459) 29.576 18.490 ( 0.000 -9.428 2.601) 9.780 ======================= Grid point 334 (122/219) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 3.152 -0.000 3.001) 4.352 2.678 ( 0.499 -0.000 -3.602) 3.637 2.992 ( -3.076 0.000 6.590) 7.273 3.273 ( -2.230 0.000 -5.537) 5.969 3.366 ( -3.107 0.000 -7.425) 8.049 3.468 ( 1.802 -0.000 -4.581) 4.923 3.734 ( 2.221 -0.000 4.219) 4.768 3.756 ( -4.165 0.000 7.956) 8.981 4.096 ( -11.326 0.000 -0.814) 11.355 4.168 ( -0.617 0.000 -7.319) 7.345 4.493 ( 2.773 -0.000 7.842) 8.318 4.755 ( -0.526 0.000 -1.382) 1.479 5.191 ( 0.392 -0.000 0.210) 0.445 5.294 ( 1.106 -0.000 -3.121) 3.311 6.107 ( 1.457 -0.000 4.447) 4.680 6.239 ( 2.957 -0.000 -0.921) 3.097 6.518 ( 6.011 -0.000 2.778) 6.622 6.844 ( 0.658 -0.000 -3.998) 4.052 7.399 ( 6.290 -0.000 4.894) 7.970 7.779 ( 0.872 -0.000 -4.427) 4.512 9.830 ( -11.374 0.000 -0.854) 11.406 9.891 ( -16.314 0.000 -0.709) 16.330 10.298 ( -8.463 0.000 8.520) 12.009 10.409 ( 5.281 -0.000 4.010) 6.631 10.540 ( 4.005 -0.000 0.968) 4.121 10.722 ( -10.555 0.000 -5.584) 11.941 11.084 ( 4.292 -0.000 4.980) 6.575 11.221 ( -5.113 0.000 -9.378) 10.682 11.576 ( 7.100 -0.000 -8.836) 11.335 11.597 ( -7.059 0.000 8.446) 11.008 11.634 ( -6.664 0.000 0.225) 6.667 11.864 ( -14.802 0.000 -0.728) 14.820 12.026 ( 10.847 -0.000 10.354) 14.995 12.406 ( 2.233 -0.000 -1.422) 2.647 12.494 ( -2.200 0.000 -5.075) 5.531 12.534 ( 9.283 -0.000 -4.888) 10.492 13.576 ( 1.619 -0.000 3.320) 3.694 13.718 ( -1.383 0.000 -0.332) 1.422 15.466 ( 1.185 -0.000 2.100) 2.411 16.024 ( -0.992 0.000 -18.547) 18.574 16.792 ( 0.425 -0.000 18.050) 18.055 17.394 ( -2.971 0.000 -3.611) 4.676 ======================= Grid point 335 (123/219) ======================= q-point: (-0.69 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 1.869 -0.161 2.443) 3.080 2.679 ( -0.482 -0.755 -2.029) 2.218 2.912 ( -5.132 -0.249 6.545) 8.320 3.196 ( -3.129 7.653 -5.114) 9.722 3.317 ( -4.535 -7.907 -5.031) 10.412 3.441 ( -3.549 5.570 -2.259) 6.980 3.682 ( -4.125 -3.566 3.060) 6.253 3.779 ( -0.797 -2.996 2.620) 4.059 3.855 ( -9.410 0.968 1.007) 9.513 4.195 ( 2.878 -0.459 -9.466) 9.905 4.586 ( 6.181 0.756 8.632) 10.644 4.823 ( 6.313 0.372 -0.550) 6.348 5.150 ( -4.978 -1.985 0.002) 5.359 5.255 ( -5.097 -0.513 -3.118) 5.997 6.066 ( -4.809 1.886 4.825) 7.069 6.205 ( -6.368 0.406 -0.358) 6.391 6.524 ( -4.797 2.778 1.602) 5.770 6.777 ( -8.124 -2.110 -3.345) 9.036 7.533 ( 7.209 0.792 3.262) 7.952 7.797 ( 1.112 0.120 -3.122) 3.317 9.595 ( -12.903 0.397 1.701) 13.020 9.640 ( -8.804 -2.159 0.486) 9.078 10.060 ( -15.401 -3.408 4.585) 16.426 10.350 ( -5.372 0.395 -9.182) 10.645 10.505 ( -11.751 0.319 -0.014) 11.755 10.762 ( 10.108 -0.544 12.016) 15.712 11.075 ( -5.046 2.535 -2.878) 6.338 11.106 ( -2.822 -2.518 -2.068) 4.311 11.460 ( -9.573 1.282 -2.287) 9.926 11.491 ( -14.191 -0.646 -2.456) 14.417 11.546 ( -1.781 -1.040 8.199) 8.454 11.918 ( 16.232 -0.798 -9.970) 19.066 12.230 ( -6.929 3.859 2.262) 8.247 12.300 ( 8.745 -3.584 6.631) 11.545 12.457 ( 5.317 0.624 -0.498) 5.377 12.931 ( 21.686 -0.502 -7.038) 22.805 13.602 ( 1.607 2.279 2.550) 3.779 13.677 ( -3.324 -1.880 0.929) 3.930 15.503 ( 3.427 2.380 1.444) 4.415 16.009 ( -1.234 -1.233 -16.827) 16.917 16.839 ( 4.405 -0.093 16.002) 16.597 17.373 ( 0.514 -0.784 -2.869) 3.018 ======================= Grid point 336 (124/219) ======================= q-point: (-0.62 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.055 1.067 0.942) 1.424 2.669 ( -1.305 -0.608 -1.106) 1.815 2.809 ( -6.128 -2.948 5.918) 9.014 3.088 ( -3.382 6.555 -3.605) 8.210 3.272 ( -5.650 -5.811 -3.424) 8.799 3.285 ( -7.638 3.849 -2.849) 9.015 3.539 ( -9.121 4.331 3.303) 10.623 3.745 ( -1.987 -7.099 0.436) 7.385 3.826 ( -1.746 -5.535 2.164) 6.194 4.255 ( 2.100 -0.753 -11.683) 11.894 4.693 ( 5.262 2.506 10.491) 12.002 4.951 ( 5.739 -0.135 0.214) 5.744 5.042 ( -6.360 -1.603 -0.956) 6.628 5.124 ( -8.299 -1.657 -2.247) 8.756 5.913 ( -9.387 3.016 3.245) 10.380 6.000 ( -13.788 1.182 0.805) 13.862 6.306 ( -15.038 5.384 1.289) 16.024 6.556 ( -16.316 -2.193 -3.430) 16.817 7.652 ( 5.947 1.931 2.167) 6.617 7.824 ( 1.887 0.296 -2.041) 2.795 9.403 ( -8.502 -4.376 3.009) 10.024 9.542 ( -3.229 -4.133 0.978) 5.335 9.793 ( -14.404 -4.767 3.077) 15.482 10.209 ( -8.823 3.206 -6.752) 11.564 10.309 ( -9.000 -4.812 -4.574) 11.184 10.752 ( -9.312 0.692 7.548) 12.007 10.992 ( -5.238 4.714 1.121) 7.135 11.089 ( -4.175 -2.317 -5.951) 7.630 11.188 ( -11.270 -3.720 -1.138) 11.923 11.340 ( -4.648 -1.466 -0.385) 4.888 11.580 ( 4.635 0.051 9.944) 10.971 12.040 ( -6.654 -0.216 6.443) 9.265 12.192 ( 10.548 -1.230 -6.333) 12.365 12.461 ( 6.420 1.361 -4.022) 7.697 12.764 ( 23.460 0.138 2.608) 23.605 13.348 ( 20.474 0.522 -9.522) 22.585 13.585 ( -3.742 0.412 4.406) 5.795 13.648 ( 2.440 -0.208 2.470) 3.479 15.574 ( 5.691 2.933 0.442) 6.418 15.983 ( -2.844 -3.005 -14.027) 14.625 16.955 ( 7.679 0.843 13.408) 15.474 17.418 ( 3.157 -2.062 -2.188) 4.359 ======================= Grid point 337 (125/219) ======================= q-point: (-0.56 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -4.046 4.332 -1.061) 6.022 2.605 ( -4.510 3.084 -2.455) 5.990 2.743 ( -3.972 -7.321 5.638) 10.058 2.993 ( -4.197 2.388 -2.811) 5.587 3.099 ( -7.928 -1.293 -1.642) 8.198 3.204 ( -5.718 0.290 -2.853) 6.396 3.373 ( -5.064 2.074 5.876) 8.029 3.679 ( -8.616 -0.321 -2.497) 8.976 3.809 ( -6.976 -14.179 2.812) 16.050 4.245 ( -3.866 0.045 -12.337) 12.928 4.719 ( -3.784 -0.434 9.242) 9.996 4.892 ( -5.635 4.621 0.573) 7.310 4.997 ( -5.831 -2.778 -0.251) 6.463 5.072 ( 4.109 -0.752 -0.475) 4.204 5.645 ( -15.823 4.305 1.301) 16.450 5.735 ( -14.585 -0.677 5.011) 15.437 5.932 ( -16.383 6.655 -1.546) 17.751 6.182 ( -22.956 -0.285 -3.810) 23.272 7.741 ( 4.869 2.682 1.600) 5.784 7.865 ( 2.694 1.058 -1.453) 3.239 9.292 ( -7.976 -7.344 3.601) 11.425 9.549 ( -2.833 -5.313 -0.156) 6.023 9.588 ( -6.042 -4.472 4.024) 8.526 10.020 ( -8.682 0.508 -2.641) 9.089 10.179 ( -9.009 -7.255 -7.296) 13.675 10.575 ( -6.718 -0.567 -2.221) 7.098 10.731 ( -16.394 2.738 4.395) 17.192 10.886 ( -14.356 0.102 -3.885) 14.873 11.120 ( -4.879 -8.279 -1.569) 9.736 11.290 ( -3.164 -0.874 0.109) 3.285 11.713 ( 8.881 0.936 7.316) 11.544 12.019 ( 3.657 -1.042 13.105) 13.646 12.346 ( 5.585 -0.911 -4.038) 6.952 12.603 ( 9.043 1.938 -0.715) 9.276 13.118 ( 5.423 1.317 -8.979) 10.572 13.537 ( 0.226 0.629 -7.003) 7.035 13.581 ( 11.633 0.784 10.835) 15.916 13.907 ( 23.195 1.641 -2.355) 23.372 15.683 ( 6.694 2.290 -0.947) 7.138 15.952 ( -2.037 -5.997 -10.856) 12.569 17.115 ( 9.797 2.249 11.311) 15.132 17.517 ( 5.432 -3.922 -1.569) 6.881 ======================= Grid point 338 (126/219) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -8.933 9.234 -2.916) 13.175 2.484 ( -6.543 3.711 -5.501) 9.319 2.696 ( -4.825 -3.732 5.316) 8.091 2.890 ( -7.052 0.775 2.062) 7.388 3.007 ( -4.269 -4.067 -3.896) 7.067 3.066 ( -5.057 2.066 1.939) 5.797 3.331 ( -3.271 -8.327 1.778) 9.121 3.415 ( -17.954 -1.117 -0.870) 18.010 3.669 ( -15.369 -11.056 1.457) 18.989 4.114 ( -9.769 0.581 -12.100) 15.562 4.496 ( -18.873 0.647 3.909) 19.285 4.708 ( -12.464 8.814 3.539) 15.671 4.897 ( -8.272 -0.507 -0.692) 8.316 5.154 ( 4.547 -0.915 -0.025) 4.639 5.282 ( -27.138 2.899 7.703) 28.358 5.400 ( -5.132 0.881 4.227) 6.707 5.704 ( -20.835 3.505 -3.760) 21.460 5.827 ( 0.035 -2.503 -4.801) 5.414 7.813 ( 4.496 2.707 1.132) 5.369 7.906 ( 2.424 2.238 -1.104) 3.479 9.137 ( -12.166 -4.954 4.007) 13.734 9.432 ( -7.874 -4.870 -1.717) 9.416 9.617 ( -0.080 -0.217 3.594) 3.602 9.877 ( -7.654 -2.787 -2.236) 8.447 10.093 ( -3.092 -9.624 -3.161) 10.591 10.397 ( -16.248 -1.824 5.538) 17.263 10.532 ( -5.069 -6.559 -4.520) 9.441 10.580 ( -12.936 -0.620 -4.727) 13.787 11.070 ( -5.710 -10.297 -1.624) 11.886 11.211 ( -5.174 0.059 -2.731) 5.851 11.876 ( 8.156 1.940 7.218) 11.063 12.135 ( 6.605 0.723 14.785) 16.210 12.425 ( 1.581 -1.402 -0.213) 2.124 12.756 ( 7.633 3.060 2.640) 8.637 12.968 ( -12.619 1.820 -8.197) 15.158 13.494 ( -3.508 0.405 -7.955) 8.703 13.995 ( 26.495 3.167 5.580) 27.261 14.356 ( 23.480 3.252 -4.490) 24.126 15.775 ( 4.506 1.222 -1.590) 4.932 16.025 ( 5.232 -8.733 -9.599) 13.992 17.297 ( 10.736 3.244 10.902) 15.641 17.672 ( 7.745 -5.980 -1.036) 9.840 ======================= Grid point 339 (127/219) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -10.289 13.386 -4.680) 17.520 2.312 ( -8.550 3.963 -8.950) 12.997 2.593 ( -9.889 6.722 3.806) 12.548 2.656 ( -10.231 2.216 9.944) 14.438 2.906 ( -21.338 -1.523 -4.157) 21.793 2.993 ( -5.554 -3.131 -1.291) 6.505 3.054 ( -8.065 -9.615 2.268) 12.753 3.367 ( -5.912 -16.780 -3.628) 18.157 3.424 ( -10.408 -7.038 2.751) 12.862 3.831 ( -19.557 0.473 -9.540) 21.765 4.051 ( -23.683 4.767 4.518) 24.576 4.307 ( -22.181 11.063 3.398) 25.019 4.488 ( -31.333 5.521 0.190) 31.817 4.908 ( -10.506 4.370 -1.958) 11.546 5.261 ( 4.194 -2.839 -0.494) 5.088 5.337 ( -6.415 3.093 5.501) 8.999 5.458 ( 2.923 -3.795 3.984) 6.230 5.934 ( 5.901 -6.849 -5.818) 10.751 7.890 ( 5.190 1.879 0.270) 5.526 7.931 ( 1.772 2.399 -0.603) 3.043 8.892 ( -15.226 -1.617 4.439) 15.942 9.271 ( -12.152 -2.854 -5.105) 13.486 9.534 ( -8.307 2.178 3.046) 9.112 9.752 ( -6.380 0.575 -2.556) 6.897 10.011 ( -12.638 1.219 4.738) 13.552 10.271 ( -1.433 -12.594 1.745) 12.795 10.276 ( -10.594 -7.877 -0.346) 13.205 10.613 ( -0.397 -13.341 -5.306) 14.363 11.033 ( -5.474 -13.665 -2.929) 15.009 11.101 ( -4.516 2.578 -4.465) 6.854 11.988 ( 5.575 3.910 8.226) 10.678 12.169 ( -3.264 6.252 11.689) 13.652 12.451 ( 2.165 -4.278 6.850) 8.361 12.721 ( -7.507 2.156 -8.532) 11.567 12.894 ( 4.962 3.312 -0.108) 5.967 13.429 ( -2.412 -0.418 -9.172) 9.493 14.457 ( 23.399 5.760 2.818) 24.262 14.725 ( 16.449 3.329 -2.966) 17.042 15.902 ( 9.981 -0.455 -2.276) 10.247 16.199 ( 6.605 -7.819 -11.244) 15.205 17.487 ( 10.937 2.977 12.393) 16.795 17.874 ( 8.945 -7.303 -0.445) 11.556 ======================= Grid point 340 (128/219) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -8.586 17.845 -5.898) 20.662 2.126 ( -10.688 3.083 -9.813) 14.834 2.192 ( -19.754 9.639 2.492) 22.120 2.362 ( -29.158 1.094 -1.245) 29.205 2.574 ( -3.488 0.426 10.142) 10.734 2.815 ( -12.243 3.769 -0.775) 12.834 2.995 ( -8.204 -8.000 2.175) 11.663 3.291 ( -12.459 -5.789 0.132) 13.739 3.316 ( -12.504 -10.162 -5.031) 16.880 3.506 ( -9.989 -8.146 -4.038) 13.507 3.668 ( -10.275 -2.980 4.668) 11.672 3.764 ( -25.045 14.363 6.766) 29.653 3.850 ( -29.623 0.502 -1.054) 29.646 4.716 ( -5.073 10.410 -15.139) 19.060 5.237 ( -0.180 5.061 10.688) 11.827 5.388 ( 4.978 -1.325 -0.314) 5.161 5.596 ( 5.518 -8.983 7.050) 12.682 6.100 ( 5.629 -10.862 -6.126) 13.682 7.955 ( 2.373 1.807 0.018) 2.983 7.999 ( 6.848 1.032 -1.023) 7.001 8.581 ( -17.078 0.847 4.905) 17.789 8.999 ( -17.204 -1.788 -6.804) 18.587 9.266 ( -18.039 2.032 4.274) 18.650 9.516 ( -16.902 4.857 -4.226) 18.087 9.858 ( -1.000 0.570 7.493) 7.581 10.189 ( -2.566 -8.052 -1.978) 8.680 10.324 ( -2.314 -4.742 3.202) 6.172 10.661 ( -2.832 -16.864 -5.123) 17.851 10.996 ( -2.617 -6.428 -2.398) 7.343 11.076 ( -2.592 -11.844 -1.304) 12.195 12.040 ( -2.094 5.071 9.112) 10.636 12.085 ( 6.969 5.154 5.103) 10.058 12.516 ( -3.001 -0.066 1.474) 3.345 12.588 ( -1.458 1.115 -0.507) 1.905 12.951 ( 2.956 4.078 -2.454) 5.603 13.419 ( 0.211 -2.218 -10.334) 10.572 14.786 ( 13.799 6.984 2.715) 15.702 14.955 ( 10.806 3.925 -0.817) 11.525 16.144 ( 13.207 -0.674 -4.325) 13.914 16.338 ( 3.955 -4.846 -13.469) 14.851 17.675 ( 9.831 1.592 15.137) 18.120 18.086 ( 8.184 -8.198 0.480) 11.594 ======================= Grid point 341 (129/219) ======================= q-point: (-0.31 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -6.968 20.526 -4.453) 22.129 1.658 ( -19.951 14.856 1.400) 24.914 1.815 ( -23.255 3.718 -2.101) 23.644 2.035 ( -3.303 1.130 -14.498) 14.912 2.510 ( -2.450 4.440 8.719) 10.086 2.597 ( -6.839 0.146 2.756) 7.375 2.749 ( -15.284 -0.298 1.421) 15.353 2.948 ( -14.048 22.433 5.177) 26.970 3.213 ( -7.721 -8.691 4.077) 12.320 3.256 ( -14.157 0.881 4.634) 14.922 3.291 ( -17.125 -0.200 0.484) 17.133 3.623 ( -0.575 -18.953 -5.972) 19.880 3.692 ( -0.044 -17.163 -1.027) 17.193 4.585 ( -1.603 13.654 -20.189) 24.425 5.213 ( 0.897 7.112 13.752) 15.508 5.470 ( 2.925 0.104 -2.604) 3.917 5.743 ( 3.643 -9.938 9.392) 14.151 6.263 ( 3.569 -14.219 -6.003) 15.842 8.005 ( 3.984 2.993 0.190) 4.986 8.111 ( 2.909 5.699 -0.533) 6.421 8.289 ( -7.975 -1.080 2.993) 8.587 8.638 ( -20.036 2.569 -6.504) 21.221 8.887 ( -17.063 2.498 6.507) 18.432 9.175 ( -13.698 3.668 -2.758) 14.446 9.865 ( 0.659 0.966 3.869) 4.042 10.168 ( -1.559 6.129 -3.999) 7.482 10.337 ( 2.306 -6.765 5.905) 9.271 10.770 ( 4.619 -18.039 -7.002) 19.894 10.995 ( -4.187 -11.699 1.320) 12.495 11.086 ( -5.346 -17.608 -2.123) 18.524 12.024 ( 2.968 3.610 11.294) 12.223 12.231 ( 9.421 4.343 -0.658) 10.394 12.363 ( -6.877 4.116 -0.348) 8.022 12.614 ( 0.537 -0.091 5.875) 5.901 12.961 ( 0.652 4.163 -5.543) 6.963 13.435 ( -0.322 -1.521 -15.078) 15.157 14.905 ( 3.816 5.961 4.599) 8.441 15.105 ( 7.336 7.245 -1.337) 10.397 16.310 ( 1.785 -1.195 -4.750) 5.213 16.452 ( 7.255 -0.126 -15.107) 16.759 17.832 ( 6.400 -0.822 18.559) 19.648 18.268 ( 5.219 -9.235 1.643) 10.734 ======================= Grid point 342 (130/219) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.000 18.553 3.480) 18.876 1.414 ( -0.000 25.940 -5.032) 26.423 1.528 ( -0.000 6.360 -2.638) 6.886 2.007 ( 0.000 -0.118 -17.246) 17.246 2.477 ( 0.000 -1.514 0.954) 1.789 2.539 ( -0.000 19.098 19.482) 27.281 2.569 ( 0.000 -0.100 -1.374) 1.378 2.626 ( -0.000 17.415 7.487) 18.956 3.043 ( -0.000 0.428 0.803) 0.910 3.095 ( -0.000 1.260 -0.535) 1.369 3.308 ( 0.000 -17.801 8.057) 19.539 3.721 ( 0.000 -13.726 -2.911) 14.032 3.828 ( 0.000 -26.648 -7.178) 27.598 4.489 ( -0.000 14.688 -21.511) 26.047 5.177 ( -0.000 8.903 14.199) 16.759 5.493 ( -0.000 1.885 -4.221) 4.623 5.836 ( 0.000 -9.224 11.601) 14.821 6.388 ( 0.000 -15.837 -5.815) 16.871 7.950 ( -0.000 12.766 2.639) 13.036 8.132 ( 0.000 -0.050 3.410) 3.410 8.264 ( -0.000 14.041 -7.089) 15.730 8.375 ( 0.000 -4.173 -2.479) 4.854 8.680 ( -0.000 2.090 7.339) 7.630 9.015 ( -0.000 2.802 -2.904) 4.036 9.862 ( -0.000 1.869 1.364) 2.314 10.087 ( -0.000 15.432 -4.301) 16.021 10.435 ( 0.000 -14.848 7.353) 16.569 10.999 ( 0.000 -23.170 -10.402) 25.398 11.011 ( 0.000 -15.617 0.881) 15.641 11.086 ( 0.000 -14.908 -0.965) 14.939 12.053 ( -0.000 3.253 13.559) 13.944 12.264 ( -0.000 3.347 0.754) 3.430 12.321 ( -0.000 3.431 -0.667) 3.495 12.607 ( -0.000 0.650 5.165) 5.206 12.939 ( -0.000 4.530 -6.911) 8.264 13.425 ( -0.000 1.747 -20.380) 20.455 14.902 ( -0.000 6.119 5.310) 8.102 15.130 ( -0.000 8.888 -1.762) 9.061 16.310 ( -0.000 0.655 -5.058) 5.101 16.531 ( -0.000 1.505 -14.663) 14.740 17.912 ( 0.000 -3.901 21.827) 22.173 18.377 ( 0.000 -9.904 2.301) 10.167 ======================= Grid point 351 (131/219) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.696 -0.000 2.103) 2.215 2.660 ( -1.122 0.000 0.182) 1.137 2.793 ( -6.926 0.000 4.755) 8.401 3.175 ( -5.977 0.000 -2.590) 6.514 3.181 ( -2.298 0.000 -5.961) 6.389 3.320 ( -11.077 0.000 -5.439) 12.340 3.597 ( -3.742 0.000 3.771) 5.313 3.653 ( -5.180 0.000 6.015) 7.938 3.809 ( -2.074 0.000 -0.253) 2.089 4.251 ( 2.260 -0.000 -12.354) 12.559 4.707 ( 4.810 -0.000 10.871) 11.888 4.951 ( 6.005 -0.000 0.156) 6.007 5.032 ( -5.501 0.000 -0.679) 5.543 5.115 ( -8.629 0.000 -3.031) 9.146 5.932 ( -9.340 0.000 4.525) 10.378 6.006 ( -14.150 0.000 0.577) 14.162 6.342 ( -14.966 0.000 0.303) 14.969 6.540 ( -15.823 0.000 -3.249) 16.153 7.663 ( 5.972 -0.000 2.054) 6.315 7.825 ( 1.951 -0.000 -1.926) 2.741 9.377 ( -9.332 0.000 2.930) 9.781 9.517 ( -3.285 0.000 0.717) 3.362 9.765 ( -13.863 0.000 3.311) 14.253 10.243 ( -6.354 0.000 -14.055) 15.425 10.266 ( -12.368 0.000 2.893) 12.702 10.757 ( -9.114 0.000 8.545) 12.493 11.035 ( -6.443 0.000 6.373) 9.062 11.058 ( -0.510 0.000 -12.558) 12.569 11.168 ( -14.718 0.000 -0.647) 14.732 11.331 ( -4.370 0.000 -0.783) 4.440 11.580 ( 4.971 -0.000 9.690) 10.891 12.039 ( -7.061 0.000 7.107) 10.018 12.184 ( 10.644 -0.000 -6.390) 12.414 12.469 ( 6.627 -0.000 -4.064) 7.774 12.765 ( 23.654 -0.000 2.647) 23.802 13.351 ( 20.844 -0.000 -9.575) 22.938 13.588 ( -4.878 0.000 4.246) 6.467 13.647 ( 3.468 -0.000 2.558) 4.310 15.592 ( 5.241 -0.000 0.050) 5.241 15.964 ( -3.189 0.000 -13.279) 13.657 16.960 ( 7.992 -0.000 12.854) 15.136 17.405 ( 2.955 -0.000 -2.026) 3.583 ======================= Grid point 353 (132/219) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -1.877 2.965 0.716) 3.581 2.635 ( -2.788 1.138 -0.203) 3.018 2.666 ( -5.706 -4.545 4.218) 8.427 3.039 ( -6.903 4.911 -4.159) 9.438 3.084 ( -9.890 -1.988 -3.163) 10.572 3.168 ( -2.726 -3.854 -4.898) 6.802 3.458 ( -6.398 10.010 5.435) 13.064 3.625 ( -4.835 -10.504 3.716) 12.145 3.704 ( -9.647 -1.715 0.729) 9.826 4.245 ( -3.635 -0.079 -12.946) 13.446 4.709 ( -5.326 -0.655 7.536) 9.252 4.928 ( -7.497 0.638 -2.842) 8.043 4.996 ( 0.447 2.603 2.658) 3.747 5.051 ( 2.203 -2.523 1.611) 3.717 5.685 ( -16.639 2.368 1.555) 16.879 5.724 ( -14.142 -1.068 4.682) 14.935 5.989 ( -18.153 2.719 -1.980) 18.462 6.176 ( -22.031 -0.511 -3.666) 22.340 7.762 ( 4.748 0.948 1.463) 5.058 7.874 ( 3.096 0.394 -1.306) 3.383 9.233 ( -7.196 -2.600 3.638) 8.472 9.504 ( -2.803 -2.131 -1.185) 3.715 9.552 ( -4.893 -1.668 4.285) 6.715 10.038 ( -10.046 2.021 1.370) 10.338 10.110 ( -9.118 -4.162 -9.659) 13.920 10.573 ( -8.092 -0.032 -1.230) 8.185 10.750 ( -18.649 0.588 3.064) 18.908 10.907 ( -13.130 2.645 -7.638) 15.419 11.037 ( -5.154 -5.141 1.756) 7.488 11.283 ( -2.709 -0.340 -0.621) 2.800 11.721 ( 9.067 0.365 7.409) 11.715 12.012 ( 3.975 -0.222 13.735) 14.300 12.336 ( 5.628 -0.571 -2.996) 6.401 12.620 ( 9.134 0.823 -2.113) 9.411 13.130 ( 5.794 0.518 -8.692) 10.459 13.542 ( 0.020 0.188 -7.063) 7.066 13.587 ( 12.229 0.260 11.081) 16.504 13.919 ( 23.834 0.482 -2.562) 23.977 15.707 ( 7.007 1.446 -1.717) 7.358 15.897 ( -3.775 -2.806 -9.435) 10.542 17.135 ( 10.301 0.969 10.085) 14.448 17.484 ( 4.853 -1.527 -1.033) 5.191 ======================= Grid point 354 (133/219) ======================= q-point: (-0.56 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -7.199 7.043 -2.549) 10.389 2.531 ( -5.166 3.235 -2.788) 6.703 2.639 ( -2.937 -5.199 5.130) 7.872 2.858 ( -8.591 -3.123 -3.532) 9.800 2.983 ( -3.687 -1.086 -0.775) 3.921 3.117 ( -5.176 2.753 -3.083) 6.624 3.268 ( -9.108 -0.927 3.213) 9.703 3.407 ( -18.848 -0.489 -1.064) 18.884 3.558 ( -10.778 -7.709 5.493) 14.345 4.115 ( -9.843 -0.245 -11.052) 14.802 4.503 ( -16.802 0.605 2.893) 17.060 4.760 ( -11.860 0.603 -4.878) 12.838 4.932 ( -4.869 6.336 6.586) 10.355 5.117 ( 1.869 -4.958 5.128) 7.374 5.309 ( -27.104 1.521 7.430) 28.145 5.416 ( -7.719 1.442 0.491) 7.868 5.733 ( -21.350 1.527 -3.926) 21.762 5.807 ( -1.221 -0.894 -5.260) 5.474 7.838 ( 4.040 1.510 1.134) 4.459 7.928 ( 2.678 1.346 -1.056) 3.178 9.095 ( -9.599 -2.395 3.922) 10.643 9.381 ( -7.050 -3.425 -1.539) 7.988 9.613 ( 3.082 -0.403 2.107) 3.755 9.867 ( -6.795 0.727 1.440) 6.983 9.988 ( -4.896 -7.769 -3.104) 9.693 10.385 ( -17.450 -0.315 3.030) 17.714 10.468 ( -7.488 -4.340 -4.287) 9.658 10.594 ( -15.282 2.306 -6.664) 16.831 10.965 ( -6.129 -7.236 1.239) 9.563 11.214 ( -4.146 0.266 -4.181) 5.894 11.893 ( 8.635 1.028 8.022) 11.831 12.142 ( 8.202 0.503 14.551) 16.711 12.410 ( 1.234 -0.919 1.365) 2.056 12.786 ( 8.242 1.838 0.571) 8.464 12.986 ( -13.084 1.190 -7.753) 15.255 13.496 ( -3.764 -0.003 -7.880) 8.733 14.025 ( 27.552 1.860 5.616) 28.180 14.384 ( 23.568 1.650 -4.367) 24.026 15.799 ( 3.510 3.047 -3.402) 5.760 15.929 ( 5.341 -7.521 -6.987) 11.572 17.333 ( 11.160 2.614 8.880) 14.499 17.613 ( 7.001 -3.997 -0.031) 8.062 ======================= Grid point 355 (134/219) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -8.764 10.605 -5.498) 14.816 2.382 ( -7.053 7.381 -6.336) 12.016 2.595 ( -3.780 -3.335 6.507) 8.231 2.695 ( -14.678 1.310 1.834) 14.850 2.885 ( -16.317 -1.631 -2.605) 16.604 2.959 ( -9.602 -3.427 -0.689) 10.218 2.978 ( -9.371 -3.766 1.640) 10.232 3.203 ( -9.327 -10.212 -4.476) 14.536 3.364 ( -9.301 -3.586 5.505) 11.388 3.838 ( -19.905 0.550 -9.711) 22.154 4.088 ( -23.637 1.957 4.507) 24.143 4.406 ( -23.472 5.109 -4.612) 24.461 4.593 ( -25.589 12.905 6.127) 29.307 4.939 ( -8.374 1.244 4.884) 9.774 5.179 ( 0.353 -11.545 4.433) 12.372 5.352 ( -3.547 0.751 0.399) 3.647 5.451 ( -1.703 1.638 -0.066) 2.364 5.874 ( 4.859 -3.592 -6.433) 8.826 7.908 ( 4.307 1.085 0.460) 4.465 7.953 ( 0.872 1.315 -0.572) 1.678 8.884 ( -13.046 0.025 4.192) 13.703 9.240 ( -10.846 -2.247 -4.950) 12.132 9.567 ( -7.247 3.494 3.153) 8.642 9.775 ( -2.200 3.141 0.241) 3.842 10.013 ( -6.141 -2.367 0.990) 6.655 10.124 ( -4.932 -9.674 3.182) 11.315 10.212 ( -14.304 -4.462 -1.781) 15.090 10.474 ( -4.670 -9.939 -5.232) 12.164 10.895 ( -5.818 -9.676 -0.203) 11.292 11.131 ( -3.609 2.310 -6.591) 7.861 12.025 ( 6.378 2.523 8.775) 11.138 12.239 ( -0.909 5.778 11.009) 12.466 12.405 ( 1.078 -3.763 8.483) 9.343 12.741 ( -8.081 1.281 -8.545) 11.831 12.928 ( 5.652 2.331 -0.695) 6.153 13.422 ( -3.423 -0.645 -9.352) 9.980 14.517 ( 24.503 4.283 2.636) 25.014 14.755 ( 15.631 1.815 -2.264) 15.898 15.904 ( 9.846 0.863 -4.099) 10.700 16.110 ( 7.621 -7.202 -8.685) 13.615 17.526 ( 10.845 3.579 9.687) 14.976 17.794 ( 8.508 -6.247 0.768) 10.583 ======================= Grid point 356 (135/219) ======================= q-point: (-0.44 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -7.515 13.674 -7.594) 17.353 2.187 ( -9.557 8.034 -7.805) 14.724 2.286 ( -21.935 6.417 2.352) 22.976 2.377 ( -26.593 1.348 -0.909) 26.643 2.556 ( -2.889 -3.334 8.829) 9.870 2.852 ( -11.767 2.171 0.122) 11.966 2.924 ( -4.331 -3.945 1.011) 5.945 3.084 ( -5.289 -22.402 -5.110) 23.578 3.255 ( -13.169 -2.676 -0.969) 13.473 3.444 ( -13.945 -5.174 -6.492) 16.229 3.646 ( -20.897 -0.616 4.351) 21.354 3.845 ( -30.159 1.241 -2.655) 30.301 4.032 ( -19.030 26.202 10.489) 34.039 4.813 ( -3.354 6.082 -8.220) 10.761 5.255 ( 0.523 -5.067 3.644) 6.263 5.330 ( 1.866 -6.979 9.479) 11.917 5.519 ( 4.693 -2.421 0.053) 5.281 6.000 ( 4.898 -6.281 -7.128) 10.689 7.960 ( 0.606 -0.697 0.429) 1.019 8.002 ( 5.957 -0.325 -0.695) 6.006 8.604 ( -14.957 2.720 4.382) 15.821 8.984 ( -16.132 -0.925 -6.271) 17.332 9.308 ( -16.445 5.081 4.699) 17.842 9.584 ( -17.060 6.707 -4.424) 18.857 9.863 ( -0.777 0.379 6.418) 6.476 10.109 ( -1.959 -4.921 -1.422) 5.484 10.235 ( 3.432 -10.356 1.798) 11.057 10.464 ( -3.434 -16.635 -3.728) 17.390 10.869 ( -3.353 -11.985 -0.826) 12.473 11.042 ( -4.840 2.035 -3.230) 6.164 12.106 ( -2.812 6.131 9.462) 11.620 12.137 ( 6.641 3.756 5.194) 9.230 12.501 ( 2.654 -2.014 5.361) 6.312 12.609 ( -4.598 2.079 -3.442) 6.108 12.993 ( 2.800 3.167 -2.317) 4.821 13.390 ( -0.972 -2.739 -9.641) 10.069 14.863 ( 13.039 6.156 2.558) 14.644 14.989 ( 11.914 1.843 -0.107) 12.056 16.139 ( 12.815 -0.037 -5.615) 13.991 16.278 ( 6.145 -5.335 -11.616) 14.183 17.702 ( 9.357 3.000 11.871) 15.410 17.994 ( 7.817 -7.484 1.542) 10.931 ======================= Grid point 357 (136/219) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -15.852 11.525 -1.266) 19.639 1.831 ( -12.155 12.660 -3.214) 17.842 1.854 ( -16.480 4.673 -4.373) 17.679 2.086 ( -3.615 8.628 -8.931) 12.933 2.533 ( -1.429 -0.550 9.270) 9.395 2.585 ( -11.601 -1.165 2.020) 11.833 2.747 ( -14.739 0.190 -1.958) 14.869 3.029 ( -5.306 -5.627 2.385) 8.094 3.152 ( -3.590 -8.189 -3.032) 9.441 3.239 ( -13.442 -6.277 -1.090) 14.876 3.336 ( -18.422 -0.178 -2.455) 18.586 3.440 ( -5.863 -6.313 -4.114) 9.547 3.652 ( -4.113 16.848 13.922) 22.239 4.725 ( -1.085 10.205 -15.373) 18.484 5.269 ( 0.743 2.235 11.358) 11.600 5.434 ( 2.366 -8.409 3.441) 9.389 5.624 ( 2.916 -8.111 3.047) 9.142 6.124 ( 3.027 -9.453 -7.211) 12.268 8.000 ( 2.685 -3.319 1.641) 4.574 8.142 ( 7.748 -0.637 -1.938) 8.012 8.311 ( -11.784 4.882 3.878) 13.332 8.666 ( -16.040 1.895 -6.871) 17.553 8.940 ( -15.980 6.639 6.465) 18.472 9.225 ( -14.097 4.908 -2.801) 15.188 9.865 ( -0.230 -0.597 3.965) 4.016 10.115 ( -1.796 -8.365 -1.559) 8.697 10.366 ( 8.249 3.380 1.792) 9.093 10.569 ( 4.360 -16.008 -4.937) 17.310 10.882 ( -4.370 -10.790 -0.503) 11.652 10.914 ( -8.643 -8.066 0.324) 11.827 12.079 ( 3.745 5.876 10.538) 12.633 12.274 ( 8.178 3.134 -0.198) 8.760 12.408 ( -7.312 3.651 0.409) 8.183 12.613 ( 1.371 -0.313 5.647) 5.820 13.004 ( 0.514 3.344 -4.901) 5.956 13.403 ( -0.135 -3.835 -12.105) 12.699 14.969 ( 3.403 4.910 4.746) 7.630 15.179 ( 8.315 5.377 -1.250) 9.981 16.292 ( 2.328 -1.676 -5.111) 5.861 16.443 ( 8.320 -1.275 -14.503) 16.769 17.838 ( 5.780 1.574 14.514) 15.701 18.165 ( 4.815 -8.496 2.330) 10.040 ======================= Grid point 358 (137/219) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.000 14.437 1.731) 14.540 1.596 ( -0.000 5.231 -1.274) 5.384 1.689 ( -0.000 20.564 -8.605) 22.291 2.018 ( -0.000 4.099 -12.645) 13.292 2.459 ( 0.000 -1.433 1.122) 1.820 2.551 ( 0.000 -1.430 12.372) 12.454 2.568 ( 0.000 -0.019 -1.617) 1.617 2.983 ( -0.000 15.635 3.551) 16.033 3.048 ( -0.000 0.442 0.937) 1.036 3.109 ( -0.000 1.059 -0.621) 1.227 3.170 ( -0.000 1.508 6.030) 6.216 3.486 ( 0.000 -22.831 -6.149) 23.644 3.626 ( 0.000 -7.671 4.004) 8.653 4.649 ( -0.000 12.551 -18.950) 22.729 5.257 ( -0.000 4.664 13.857) 14.621 5.491 ( 0.000 -2.899 -0.770) 3.000 5.713 ( 0.000 -11.560 6.839) 13.432 6.219 ( 0.000 -12.622 -6.731) 14.305 8.088 ( 0.000 -6.733 3.395) 7.540 8.095 ( -0.000 12.020 2.533) 12.284 8.315 ( 0.000 -5.944 -2.372) 6.400 8.410 ( -0.000 10.331 -8.069) 13.109 8.724 ( -0.000 6.049 8.249) 10.230 9.055 ( -0.000 4.018 -2.735) 4.860 9.865 ( 0.000 -0.787 3.045) 3.145 10.145 ( 0.000 -7.692 -3.136) 8.307 10.425 ( -0.000 13.896 4.181) 14.512 10.751 ( 0.000 -19.144 -6.611) 20.253 10.831 ( 0.000 -15.208 1.005) 15.241 10.915 ( 0.000 -14.308 -1.071) 14.348 12.108 ( -0.000 6.507 12.838) 14.392 12.296 ( -0.000 2.188 0.763) 2.318 12.354 ( -0.000 2.307 -0.687) 2.407 12.618 ( -0.000 0.914 5.405) 5.482 12.986 ( -0.000 3.657 -6.201) 7.199 13.419 ( 0.000 -2.458 -15.730) 15.921 14.969 ( -0.000 5.345 5.429) 7.619 15.222 ( -0.000 7.060 -1.795) 7.285 16.310 ( 0.000 -0.496 -4.953) 4.978 16.536 ( 0.000 -0.402 -14.823) 14.828 17.891 ( 0.000 -0.043 16.959) 16.959 18.265 ( 0.000 -9.330 2.585) 9.682 ======================= Grid point 369 (138/219) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -6.967 0.000 -1.941) 7.233 2.520 ( -4.263 0.000 -0.741) 4.327 2.609 ( -1.596 0.000 3.360) 3.720 2.840 ( -10.505 0.000 -3.796) 11.170 2.978 ( -4.038 0.000 -0.796) 4.116 3.119 ( -2.335 0.000 -5.925) 6.368 3.283 ( -15.509 0.000 2.397) 15.693 3.403 ( -18.814 0.000 -0.850) 18.833 3.508 ( -6.748 0.000 8.524) 10.872 4.113 ( -9.840 0.000 -10.372) 14.297 4.507 ( -16.270 0.000 2.301) 16.432 4.758 ( -10.433 0.000 -6.345) 12.211 4.992 ( -4.919 0.000 5.754) 7.570 5.068 ( 0.719 -0.000 8.522) 8.552 5.317 ( -27.019 0.000 7.457) 28.029 5.426 ( -8.364 0.000 -0.620) 8.387 5.741 ( -21.580 0.000 -3.843) 21.919 5.803 ( -1.645 0.000 -5.585) 5.823 7.847 ( 3.870 -0.000 1.143) 4.036 7.936 ( 2.750 -0.000 -1.043) 2.941 9.081 ( -8.553 0.000 3.850) 9.379 9.361 ( -6.767 0.000 -1.430) 6.916 9.610 ( 4.727 -0.000 1.511) 4.963 9.880 ( -5.969 0.000 5.493) 8.112 9.933 ( -6.859 0.000 -5.712) 8.926 10.386 ( -18.341 0.000 2.381) 18.494 10.439 ( -7.804 0.000 -4.389) 8.954 10.612 ( -16.493 0.000 -8.377) 18.498 10.919 ( -5.777 0.000 3.164) 6.587 11.215 ( -3.779 0.000 -4.691) 6.024 11.899 ( 8.790 -0.000 8.326) 12.107 12.145 ( 8.662 -0.000 14.452) 16.849 12.405 ( 1.286 -0.000 1.805) 2.216 12.797 ( 8.400 -0.000 -0.104) 8.401 12.993 ( -13.258 0.000 -7.569) 15.267 13.495 ( -3.855 0.000 -7.818) 8.717 14.036 ( 27.940 -0.000 5.620) 28.500 14.394 ( 23.613 -0.000 -4.296) 24.001 15.837 ( -0.147 0.000 -6.138) 6.140 15.864 ( 8.655 -0.000 -4.019) 9.543 17.349 ( 11.497 -0.000 8.090) 14.058 17.588 ( 6.553 -0.000 0.424) 6.566 ======================= Grid point 371 (139/219) ======================= q-point: (-0.56 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -7.086 9.293 -4.998) 12.711 2.431 ( -6.031 -2.018 -5.430) 8.362 2.563 ( -3.903 0.162 4.699) 6.111 2.682 ( -7.920 -2.358 -0.297) 8.269 2.875 ( -14.687 -0.078 -1.712) 14.786 2.908 ( -22.191 -3.684 -1.312) 22.533 2.960 ( -9.464 -0.355 2.386) 9.767 3.135 ( -6.369 -2.250 -4.480) 8.106 3.340 ( -10.316 -0.792 6.852) 12.410 3.843 ( -19.805 0.221 -9.644) 22.029 4.102 ( -23.753 0.570 4.541) 24.190 4.438 ( -25.154 1.071 -7.298) 26.213 4.756 ( -17.853 12.683 6.073) 22.726 4.948 ( -7.424 1.023 8.692) 11.476 5.023 ( -5.488 -13.173 8.285) 16.501 5.362 ( -2.753 0.606 -4.115) 4.988 5.469 ( -2.579 0.974 -0.177) 2.762 5.847 ( 4.395 -1.111 -6.854) 8.218 7.916 ( 3.678 0.342 0.566) 3.737 7.963 ( 0.053 0.381 -0.516) 0.644 8.887 ( -11.760 0.287 3.936) 12.405 9.222 ( -9.712 -0.879 -4.603) 10.784 9.606 ( -5.828 2.399 2.811) 6.901 9.826 ( 0.855 6.008 2.712) 6.647 9.923 ( 2.537 -10.060 1.382) 10.466 10.096 ( -11.167 1.973 0.562) 11.354 10.163 ( -17.583 -3.768 -2.491) 18.153 10.396 ( -8.787 -3.357 -5.818) 11.060 10.817 ( -5.716 -3.598 1.945) 7.029 11.150 ( -2.867 0.861 -7.589) 8.158 12.045 ( 6.809 0.872 9.049) 11.358 12.299 ( 4.114 4.224 10.322) 11.887 12.362 ( -3.007 -3.369 9.464) 10.487 12.751 ( -8.466 0.415 -8.461) 11.976 12.946 ( 5.932 0.844 -0.970) 6.070 13.416 ( -3.998 -0.301 -9.358) 10.181 14.552 ( 25.337 1.645 2.499) 25.513 14.768 ( 14.880 0.508 -1.750) 14.991 15.920 ( 9.666 1.325 -6.247) 11.585 16.043 ( 8.319 -3.701 -6.319) 11.083 17.562 ( 11.100 2.169 7.940) 13.819 17.737 ( 7.984 -3.069 1.774) 8.736 ======================= Grid point 372 (140/219) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -7.512 11.457 -7.222) 15.487 2.280 ( -13.753 4.926 -6.228) 15.881 2.346 ( -20.071 4.396 0.928) 20.567 2.392 ( -20.136 1.491 -1.287) 20.232 2.517 ( -3.759 -1.341 6.177) 7.354 2.792 ( -3.162 -17.228 -2.859) 17.748 2.898 ( -3.059 -1.029 1.008) 3.381 2.912 ( -16.569 -1.784 1.154) 16.705 3.228 ( -5.906 -1.904 -1.687) 6.431 3.390 ( -21.971 -3.439 -6.496) 23.168 3.645 ( -23.436 0.152 3.766) 23.737 3.856 ( -31.171 0.676 -2.817) 31.306 4.353 ( -11.748 27.982 7.949) 31.371 4.850 ( -2.864 -0.698 -1.517) 3.315 5.075 ( -0.130 -19.415 8.744) 21.294 5.312 ( -0.840 0.553 2.600) 2.788 5.519 ( 4.563 1.051 -1.553) 4.934 5.949 ( 4.579 -2.765 -7.867) 9.514 7.946 ( -1.343 -1.227 0.879) 2.020 7.995 ( 4.864 -0.607 -0.525) 4.930 8.635 ( -13.390 2.221 3.846) 14.108 8.976 ( -15.548 -0.467 -5.538) 16.511 9.372 ( -15.184 5.174 4.506) 16.662 9.662 ( -18.891 6.225 -4.132) 20.314 9.872 ( -0.415 1.483 5.018) 5.249 10.081 ( 0.207 -0.574 -1.558) 1.673 10.107 ( 7.224 -9.751 1.381) 12.214 10.286 ( -4.762 -13.579 -3.187) 14.738 10.758 ( -3.442 -6.774 1.695) 7.785 11.071 ( -5.335 2.208 -5.143) 7.732 12.166 ( 5.949 2.626 4.814) 8.090 12.177 ( -2.791 4.362 9.817) 11.099 12.475 ( 5.243 -2.212 6.443) 8.596 12.629 ( -5.045 1.267 -4.136) 6.646 13.023 ( 2.799 1.860 -1.889) 3.854 13.361 ( -2.270 -2.009 -9.137) 9.627 14.927 ( 11.547 4.751 2.345) 12.704 14.997 ( 13.520 -0.523 0.574) 13.542 16.146 ( 11.881 1.394 -7.104) 13.913 16.219 ( 8.295 -4.669 -10.014) 13.816 17.741 ( 9.140 3.467 9.412) 13.570 17.916 ( 7.577 -5.732 2.706) 9.879 ======================= Grid point 373 (141/219) ======================= q-point: (-0.44 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -17.347 6.289 -0.458) 18.458 1.873 ( -19.814 1.840 -0.436) 19.905 1.995 ( -4.790 13.246 -8.282) 16.340 2.221 ( -1.544 12.960 -7.001) 14.811 2.493 ( -1.397 -5.325 7.338) 9.174 2.582 ( -13.581 0.137 1.867) 13.710 2.755 ( -14.477 0.804 -3.087) 14.824 2.908 ( -0.256 -22.929 -5.292) 23.533 2.990 ( -5.849 -2.989 2.655) 7.085 3.221 ( -14.719 0.095 0.335) 14.723 3.319 ( -10.859 -5.094 -3.365) 12.458 3.350 ( -12.957 -4.788 -2.552) 14.047 4.001 ( -5.341 35.448 12.135) 37.846 4.813 ( -0.561 4.214 -8.007) 9.065 5.206 ( 1.033 -19.211 6.803) 20.406 5.315 ( 0.386 -3.002 8.961) 9.458 5.589 ( 2.836 0.304 -2.045) 3.509 6.043 ( 2.750 -4.761 -8.406) 10.044 7.948 ( 0.113 -4.755 2.757) 5.497 8.117 ( 6.800 -2.721 -1.845) 7.553 8.377 ( -10.309 5.421 3.138) 12.062 8.679 ( -14.328 0.347 -5.396) 15.314 9.031 ( -14.265 8.132 4.896) 17.134 9.284 ( -14.726 4.861 -2.594) 15.723 9.857 ( -1.250 -0.646 2.525) 2.891 10.037 ( -3.751 -4.868 -1.908) 6.435 10.350 ( 12.939 -4.886 0.961) 13.864 10.409 ( 6.608 -11.435 -1.730) 13.320 10.748 ( -3.231 -9.818 1.118) 10.396 10.901 ( -11.212 2.205 -1.520) 11.528 12.153 ( 4.721 6.285 9.006) 11.954 12.303 ( 7.158 1.853 0.079) 7.395 12.451 ( -6.902 4.115 1.417) 8.160 12.601 ( 1.534 -1.933 5.061) 5.631 13.038 ( 0.435 2.526 -3.995) 4.746 13.353 ( -0.744 -4.443 -9.692) 10.688 15.017 ( 2.938 3.240 4.850) 6.531 15.229 ( 9.082 3.261 -1.120) 9.714 16.274 ( 2.741 -1.381 -5.545) 6.338 16.427 ( 9.053 -1.331 -14.211) 16.902 17.865 ( 5.451 2.995 11.456) 13.036 18.074 ( 4.623 -7.081 3.325) 9.087 ======================= Grid point 374 (142/219) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 9.846 0.508) 9.859 1.648 ( -0.000 3.639 -0.279) 3.650 1.879 ( -0.000 13.382 -10.170) 16.808 2.131 ( -0.000 14.526 -8.116) 16.639 2.444 ( 0.000 -1.146 1.337) 1.762 2.517 ( 0.000 -4.769 8.626) 9.856 2.568 ( -0.000 0.035 -1.778) 1.778 2.963 ( 0.000 -4.915 3.222) 5.877 3.053 ( -0.000 0.363 1.022) 1.085 3.070 ( 0.000 -24.445 -7.138) 25.465 3.120 ( -0.000 0.752 -0.685) 1.017 3.370 ( 0.000 -7.152 -6.748) 9.832 3.752 ( -0.000 31.409 15.585) 35.063 4.771 ( -0.000 8.148 -12.638) 15.037 5.279 ( 0.000 -2.374 8.439) 8.767 5.381 ( 0.000 -15.600 8.946) 17.983 5.622 ( 0.000 -2.541 -0.913) 2.700 6.105 ( 0.000 -7.129 -8.163) 10.838 7.997 ( 0.000 -8.077 3.975) 9.002 8.220 ( -0.000 9.272 2.260) 9.544 8.245 ( 0.000 -5.906 -2.514) 6.419 8.491 ( -0.000 3.945 -6.291) 7.426 8.822 ( -0.000 10.018 6.436) 11.907 9.106 ( -0.000 4.658 -2.444) 5.260 9.849 ( 0.000 -1.663 1.981) 2.587 10.039 ( 0.000 -8.418 -1.459) 8.543 10.565 ( 0.000 -11.821 -1.567) 11.925 10.604 ( -0.000 13.194 -0.016) 13.194 10.666 ( 0.000 -12.913 1.158) 12.965 10.761 ( 0.000 -11.876 -1.200) 11.936 12.205 ( -0.000 10.021 11.796) 15.478 12.315 ( -0.000 1.235 0.777) 1.459 12.375 ( -0.000 1.347 -0.706) 1.521 12.622 ( 0.000 -0.521 5.177) 5.203 13.024 ( -0.000 2.923 -5.304) 6.056 13.375 ( 0.000 -4.910 -11.798) 12.779 15.023 ( -0.000 3.887 5.478) 6.717 15.292 ( -0.000 4.868 -1.753) 5.174 16.301 ( 0.000 -0.838 -5.146) 5.213 16.526 ( 0.000 -1.168 -15.002) 15.048 17.904 ( -0.000 2.095 13.266) 13.430 18.164 ( 0.000 -8.044 3.343) 8.711 ======================= Grid point 387 (143/219) ======================= q-point: (-0.56 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -12.699 0.000 -4.194) 13.373 2.264 ( -8.784 0.000 -6.678) 11.035 2.378 ( -25.515 0.000 -0.434) 25.519 2.398 ( -11.164 0.000 -2.085) 11.357 2.565 ( -4.624 0.000 2.469) 5.242 2.621 ( -5.356 0.000 0.137) 5.357 2.894 ( -2.145 0.000 1.113) 2.417 2.912 ( -17.310 0.000 1.535) 17.378 3.216 ( -1.782 0.000 -1.844) 2.564 3.370 ( -26.675 0.000 -6.371) 27.425 3.646 ( -23.900 0.000 3.584) 24.168 3.860 ( -31.378 0.000 -2.887) 31.511 4.604 ( -5.551 0.000 3.038) 6.328 4.764 ( -7.909 0.000 5.253) 9.494 4.953 ( 0.502 -0.000 10.422) 10.434 5.316 ( -1.135 0.000 -0.961) 1.487 5.527 ( 4.492 -0.000 -1.423) 4.712 5.934 ( 4.483 -0.000 -8.113) 9.269 7.938 ( -2.136 0.000 1.062) 2.386 7.991 ( 4.401 -0.000 -0.479) 4.427 8.648 ( -12.854 0.000 3.630) 13.357 8.973 ( -15.406 0.000 -5.190) 16.257 9.406 ( -14.884 0.000 4.298) 15.492 9.704 ( -21.246 0.000 -3.935) 21.608 9.889 ( -0.632 0.000 4.670) 4.713 10.025 ( 9.808 -0.000 1.070) 9.866 10.108 ( 7.436 -0.000 -1.057) 7.511 10.183 ( -10.809 0.000 -3.812) 11.462 10.718 ( -3.437 0.000 2.770) 4.414 11.085 ( -5.314 0.000 -5.702) 7.794 12.179 ( 7.289 -0.000 4.477) 8.555 12.208 ( -4.584 0.000 10.005) 11.005 12.460 ( 6.342 -0.000 6.749) 9.261 12.637 ( -5.039 0.000 -4.306) 6.628 13.034 ( 2.861 -0.000 -1.641) 3.298 13.348 ( -2.881 0.000 -8.979) 9.430 14.964 ( 6.418 -0.000 2.589) 6.921 14.984 ( 18.668 -0.000 0.519) 18.675 16.172 ( 14.484 -0.000 -10.788) 18.060 16.173 ( 6.126 -0.000 -6.345) 8.819 17.768 ( 9.226 -0.000 8.413) 12.486 17.877 ( 7.345 -0.000 3.282) 8.045 ======================= Grid point 389 (144/219) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -19.369 0.664 0.080) 19.381 1.903 ( -17.013 2.071 -0.452) 17.144 2.145 ( -3.980 10.848 -8.011) 14.061 2.327 ( 0.172 1.519 -9.713) 9.832 2.464 ( -2.259 4.643 5.549) 7.580 2.583 ( -14.365 0.021 2.186) 14.530 2.642 ( -1.614 -18.218 -1.433) 18.346 2.775 ( -13.269 0.331 -2.667) 13.538 2.988 ( -7.368 0.956 1.077) 7.508 3.215 ( -4.880 -1.988 -2.954) 6.041 3.240 ( -12.607 -3.305 0.177) 13.035 3.341 ( -20.631 0.069 -1.150) 20.663 4.406 ( -2.876 32.521 6.692) 33.326 4.764 ( -1.388 -17.395 -0.223) 17.452 4.990 ( 0.568 -9.529 11.354) 14.834 5.308 ( -0.029 0.021 1.292) 1.293 5.598 ( 2.803 0.635 -2.278) 3.667 6.008 ( 2.633 -1.474 -9.011) 9.503 7.906 ( -1.294 -2.042 3.310) 4.099 8.092 ( 5.751 -1.226 -1.780) 6.143 8.422 ( -9.270 2.112 2.643) 9.868 8.679 ( -13.897 -0.088 -4.267) 14.538 9.104 ( -13.375 3.701 3.772) 14.381 9.327 ( -15.317 2.168 -2.360) 15.649 9.853 ( -2.033 -0.000 1.434) 2.488 10.001 ( -6.366 -1.537 -3.364) 7.362 10.295 ( 14.550 -3.162 1.109) 14.931 10.314 ( 9.959 -4.486 0.624) 10.941 10.669 ( -3.241 -3.490 2.453) 5.358 10.926 ( -10.617 1.444 -2.557) 11.016 12.208 ( 4.972 2.719 7.209) 9.170 12.317 ( 6.579 0.606 0.215) 6.610 12.504 ( -5.490 4.743 2.415) 7.647 12.566 ( 1.137 -3.885 4.642) 6.159 13.060 ( 0.456 1.089 -3.124) 3.340 13.311 ( -1.495 -2.139 -8.411) 8.807 15.042 ( 2.604 1.135 4.926) 5.686 15.254 ( 9.540 1.087 -1.034) 9.657 16.262 ( 2.961 -0.524 -5.840) 6.569 16.415 ( 9.439 -0.552 -14.114) 16.989 17.901 ( 5.325 2.697 9.667) 11.361 18.006 ( 4.523 -4.052 4.150) 7.355 ======================= Grid point 390 (145/219) ======================= q-point: (-0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.000 1.849 0.311) 1.875 1.702 ( -0.000 4.994 -0.252) 5.000 2.034 ( -0.000 13.658 -9.137) 16.433 2.304 ( -0.000 12.930 -9.424) 16.000 2.434 ( 0.000 -0.649 1.536) 1.667 2.451 ( 0.000 -5.006 5.829) 7.684 2.569 ( -0.000 0.038 -1.861) 1.861 2.771 ( 0.000 -23.663 -3.628) 23.940 2.944 ( 0.000 -0.159 3.123) 3.127 3.056 ( -0.000 0.205 1.065) 1.085 3.126 ( -0.000 0.387 -0.723) 0.820 3.266 ( 0.000 -8.498 -5.384) 10.060 4.171 ( -0.000 37.240 10.128) 38.592 4.816 ( 0.000 -3.178 -5.387) 6.254 5.090 ( 0.000 -21.536 10.742) 24.066 5.310 ( 0.000 -0.584 4.726) 4.762 5.621 ( -0.000 0.903 -2.520) 2.677 6.047 ( 0.000 -3.120 -9.153) 9.670 7.918 ( 0.000 -5.156 4.522) 6.858 8.187 ( 0.000 -3.710 -2.636) 4.551 8.304 ( -0.000 5.077 1.908) 5.424 8.516 ( -0.000 0.824 -4.060) 4.143 8.930 ( -0.000 7.471 4.207) 8.574 9.155 ( -0.000 3.417 -2.121) 4.022 9.834 ( 0.000 -0.765 0.386) 0.857 9.960 ( 0.000 -5.109 -2.581) 5.724 10.462 ( 0.000 -5.605 3.554) 6.637 10.543 ( 0.000 -7.830 1.314) 7.939 10.649 ( 0.000 -7.013 -1.325) 7.137 10.724 ( -0.000 6.933 -1.604) 7.116 12.325 ( -0.000 0.535 0.789) 0.953 12.327 ( -0.000 10.130 10.216) 14.387 12.386 ( -0.000 0.603 -0.721) 0.940 12.601 ( 0.000 -2.937 4.871) 5.688 13.053 ( -0.000 1.965 -4.241) 4.674 13.317 ( 0.000 -4.379 -9.099) 10.098 15.058 ( -0.000 2.034 5.531) 5.893 15.334 ( -0.000 2.483 -1.701) 3.010 16.293 ( 0.000 -0.576 -5.373) 5.403 16.513 ( 0.000 -0.898 -15.216) 15.243 17.936 ( -0.000 3.146 10.750) 11.201 18.081 ( 0.000 -6.062 4.277) 7.419 ======================= Grid point 406 (146/219) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -0.000 0.000 0.506) 0.506 1.732 ( -0.000 0.000 -0.517) 0.517 2.144 ( -0.000 0.000 -8.094) 8.094 2.349 ( -0.000 0.000 -12.383) 12.383 2.430 ( -0.000 0.000 1.619) 1.619 2.479 ( -0.000 0.000 3.899) 3.899 2.569 ( -0.000 0.000 -1.885) 1.885 2.577 ( 0.000 -0.000 0.483) 0.483 2.948 ( -0.000 0.000 2.420) 2.420 3.058 ( -0.000 0.000 1.078) 1.078 3.128 ( -0.000 0.000 -0.736) 0.736 3.210 ( -0.000 0.000 -4.330) 4.330 4.531 ( 0.000 -0.000 2.792) 2.792 4.643 ( -0.000 0.000 5.597) 5.597 4.973 ( -0.000 0.000 10.640) 10.640 5.307 ( -0.000 0.000 0.511) 0.511 5.627 ( -0.000 0.000 -2.527) 2.527 6.029 ( -0.000 0.000 -9.471) 9.471 7.887 ( -0.000 0.000 4.733) 4.733 8.165 ( -0.000 0.000 -2.678) 2.678 8.334 ( -0.000 0.000 1.733) 1.733 8.519 ( -0.000 0.000 -3.308) 3.308 8.976 ( -0.000 0.000 3.467) 3.467 9.176 ( -0.000 0.000 -1.974) 1.974 9.831 ( -0.000 0.000 -0.070) 0.070 9.928 ( -0.000 0.000 -3.491) 3.491 10.430 ( -0.000 0.000 5.630) 5.630 10.496 ( -0.000 0.000 1.388) 1.388 10.607 ( -0.000 0.000 -1.381) 1.381 10.764 ( -0.000 0.000 -1.983) 1.983 12.328 ( -0.000 0.000 0.793) 0.793 12.389 ( -0.000 0.000 -0.727) 0.727 12.400 ( -0.000 0.000 9.418) 9.418 12.574 ( -0.000 0.000 4.678) 4.678 13.065 ( -0.000 0.000 -3.629) 3.629 13.289 ( -0.000 0.000 -8.197) 8.197 15.069 ( -0.000 0.000 5.559) 5.559 15.349 ( -0.000 0.000 -1.680) 1.680 16.289 ( -0.000 0.000 -5.468) 5.468 16.507 ( -0.000 0.000 -15.312) 15.312 17.963 ( -0.000 0.000 10.002) 10.002 18.038 ( 0.000 -0.000 4.529) 4.529 ======================= Grid point 530 (147/219) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 0.000 18.953) 18.953 1.105 ( 0.000 0.000 -14.058) 14.058 1.130 ( 0.000 0.000 27.453) 27.453 1.585 ( 0.000 0.000 -21.361) 21.361 1.810 ( 0.000 0.000 46.104) 46.104 2.541 ( 0.000 0.000 1.128) 1.128 2.560 ( 0.000 0.000 -0.952) 0.952 2.615 ( 0.000 0.000 -40.703) 40.703 3.041 ( 0.000 0.000 0.193) 0.193 3.045 ( 0.000 0.000 -0.196) 0.196 3.874 ( 0.000 0.000 10.086) 10.086 4.006 ( 0.000 0.000 -3.185) 3.185 4.568 ( 0.000 0.000 -0.879) 0.879 4.612 ( 0.000 0.000 -4.865) 4.865 4.972 ( 0.000 0.000 1.604) 1.604 5.006 ( 0.000 0.000 -0.813) 0.813 6.347 ( 0.000 0.000 17.263) 17.263 6.635 ( 0.000 0.000 -13.684) 13.684 7.653 ( 0.000 0.000 4.565) 4.565 7.749 ( 0.000 0.000 -5.643) 5.643 7.880 ( 0.000 0.000 4.661) 4.661 7.961 ( 0.000 0.000 -3.920) 3.920 8.772 ( 0.000 0.000 6.486) 6.486 8.884 ( 0.000 0.000 -5.417) 5.417 9.377 ( 0.000 0.000 13.966) 13.966 9.670 ( 0.000 0.000 -17.123) 17.123 11.326 ( 0.000 0.000 11.312) 11.312 11.518 ( 0.000 0.000 -9.385) 9.385 11.523 ( 0.000 0.000 1.048) 1.048 11.544 ( 0.000 0.000 -1.151) 1.151 12.105 ( 0.000 0.000 1.221) 1.221 12.127 ( 0.000 0.000 -1.117) 1.117 12.301 ( 0.000 0.000 7.691) 7.691 12.452 ( 0.000 0.000 -8.548) 8.548 12.747 ( 0.000 0.000 4.193) 4.193 12.809 ( 0.000 0.000 -2.085) 2.085 14.739 ( 0.000 0.000 0.527) 0.527 14.751 ( 0.000 0.000 -0.746) 0.746 16.156 ( 0.000 0.000 5.801) 5.801 16.270 ( 0.000 0.000 -6.102) 6.102 18.710 ( 0.000 0.000 3.350) 3.350 18.771 ( 0.000 0.000 -3.007) 3.007 ======================= Grid point 531 (148/219) ======================= q-point: ( 0.06 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 19.030 2.337 21.137) 28.537 1.259 ( 23.163 -4.223 18.973) 30.238 1.481 ( 31.084 -1.920 -11.379) 33.157 1.665 ( 8.311 0.190 -19.845) 21.516 1.955 ( 15.117 -8.789 36.169) 40.174 2.530 ( 3.065 -0.470 -17.947) 18.213 2.730 ( 16.424 -0.102 0.374) 16.429 2.816 ( 16.370 -1.742 -14.859) 22.176 3.212 ( 16.835 -0.523 0.081) 16.843 3.230 ( 18.306 -0.436 -2.506) 18.482 3.746 ( -7.685 2.420 11.239) 13.828 3.931 ( -5.693 1.842 -7.039) 9.238 4.484 ( -3.419 13.932 4.197) 14.947 4.571 ( -1.951 7.097 -5.718) 9.321 4.925 ( -3.465 -2.899 4.778) 6.576 4.996 ( -3.121 -11.891 -3.132) 12.686 6.298 ( -4.882 1.050 16.998) 17.717 6.582 ( -5.045 1.959 -13.402) 14.454 7.749 ( 2.100 -1.803 4.809) 5.549 7.850 ( 1.138 -0.501 -5.892) 6.022 8.334 ( 36.036 -1.644 1.896) 36.123 8.439 ( 39.294 -1.152 -10.721) 40.746 8.918 ( 17.554 -1.455 7.927) 19.316 9.054 ( 19.690 0.073 -6.630) 20.777 9.444 ( 6.164 -5.290 13.048) 15.370 9.726 ( 6.050 -1.944 -16.561) 17.738 11.179 ( -10.207 5.613 8.113) 14.195 11.305 ( -11.151 5.379 -5.212) 13.433 11.567 ( -1.039 3.438 5.973) 6.970 11.652 ( 4.615 3.756 -3.812) 7.067 11.962 ( -6.099 -2.162 -2.000) 6.773 11.973 ( -9.701 -3.018 -2.621) 10.493 12.288 ( -1.451 0.173 8.481) 8.606 12.462 ( -1.477 -2.215 -10.153) 10.496 12.857 ( 8.187 0.072 8.589) 11.866 13.021 ( 14.118 -1.086 -9.389) 16.990 14.704 ( -4.770 -2.218 2.137) 5.678 14.745 ( -2.156 -2.333 -2.155) 3.838 16.159 ( -0.336 -1.301 1.985) 2.397 16.231 ( -4.184 -0.640 -4.824) 6.417 18.543 ( -17.616 5.184 6.656) 19.532 18.596 ( -11.093 1.523 -0.270) 11.200 ======================= Grid point 532 (149/219) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 16.580 5.576 21.178) 27.468 1.744 ( 16.533 -13.242 19.908) 29.070 1.862 ( 13.459 3.645 -17.867) 22.664 2.071 ( 22.677 -6.194 -14.696) 27.723 2.534 ( 36.728 -3.823 12.098) 38.858 2.728 ( 19.409 2.448 -8.210) 21.215 3.133 ( 23.536 -2.675 3.005) 23.878 3.220 ( 23.633 -3.040 -5.584) 24.473 3.586 ( 8.963 -0.715 4.422) 10.020 3.690 ( 26.340 -1.870 -2.479) 26.522 3.699 ( 15.158 0.068 1.449) 15.228 3.825 ( -3.571 1.013 -10.192) 10.846 4.333 ( -1.575 17.113 6.916) 18.525 4.463 ( -1.662 14.942 -7.646) 16.866 4.921 ( -0.898 -10.191 6.879) 12.328 5.017 ( -2.423 -12.934 -4.053) 13.769 6.151 ( -9.144 2.766 16.360) 18.945 6.422 ( -9.637 3.895 -12.714) 16.423 7.787 ( 0.659 -2.094 2.560) 3.372 7.840 ( -2.298 -1.559 -3.081) 4.147 8.823 ( 17.140 2.189 3.292) 17.590 8.929 ( 16.627 0.994 -8.308) 18.613 9.419 ( 20.176 3.483 5.940) 21.318 9.513 ( 24.377 5.093 -2.871) 25.068 9.781 ( 27.328 -8.383 10.097) 30.315 9.968 ( 16.982 -3.376 -9.674) 19.833 10.951 ( -8.260 7.342 5.746) 12.456 11.068 ( -9.444 5.502 -6.628) 12.783 11.478 ( -2.724 5.229 7.694) 9.694 11.616 ( -3.440 5.959 -6.820) 9.688 11.881 ( 0.191 -3.060 6.343) 7.045 12.052 ( 7.995 -1.323 -11.351) 13.947 12.259 ( -0.914 -1.794 7.225) 7.501 12.426 ( -3.552 -3.979 -9.844) 11.196 12.989 ( 5.554 0.904 12.071) 13.319 13.215 ( 5.518 0.227 -12.112) 13.312 14.562 ( -11.986 -3.387 5.152) 13.479 14.660 ( -9.212 -3.123 -4.972) 10.924 16.120 ( -6.701 0.046 -1.195) 6.807 16.150 ( -2.393 -1.653 -5.312) 6.056 18.160 ( -17.762 3.725 14.465) 23.208 18.334 ( -13.817 2.874 -5.456) 15.130 ======================= Grid point 533 (150/219) ======================= q-point: ( 0.19 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 15.953 2.724 15.978) 22.742 2.066 ( 11.621 -1.386 -6.336) 13.308 2.146 ( 16.322 -7.127 5.877) 18.755 2.421 ( 11.417 -10.167 -15.688) 21.905 3.105 ( 20.951 9.038 5.439) 23.457 3.201 ( 25.033 7.747 -5.144) 26.705 3.561 ( 9.841 -8.946 11.015) 17.268 3.703 ( 23.248 -0.101 1.633) 23.306 3.725 ( 20.090 1.521 -1.728) 20.222 3.826 ( 6.028 -3.486 -10.177) 12.331 4.048 ( 11.361 6.490 3.524) 13.550 4.159 ( 12.646 2.060 -5.392) 13.901 4.335 ( 15.186 2.151 5.769) 16.386 4.470 ( 16.313 8.874 -8.237) 20.315 5.028 ( 7.330 -9.719 3.372) 12.632 5.067 ( 1.936 -10.047 -1.047) 10.286 5.927 ( -11.957 3.512 15.178) 19.638 6.178 ( -12.919 4.704 -11.682) 18.041 7.784 ( -4.068 -1.522 0.363) 4.359 7.793 ( -1.520 -1.639 -0.577) 2.309 9.125 ( 16.508 1.151 3.170) 16.849 9.203 ( 13.402 -0.622 -5.352) 14.445 9.677 ( 12.557 4.593 8.658) 15.930 9.843 ( 15.158 5.294 -7.911) 17.899 10.227 ( 14.306 2.289 9.956) 17.580 10.393 ( 22.422 -2.107 -5.508) 23.185 10.804 ( -3.005 6.386 2.561) 7.508 10.886 ( -6.906 3.173 -6.436) 9.959 11.428 ( 1.250 9.846 6.477) 11.851 11.551 ( 1.271 9.659 -6.484) 11.702 11.916 ( -1.118 -6.271 12.699) 14.207 12.145 ( -0.051 -3.333 -6.448) 7.259 12.297 ( 0.823 -3.464 1.926) 4.048 12.460 ( 8.086 -2.746 -11.364) 14.215 13.065 ( 3.751 3.396 11.357) 12.433 13.255 ( 0.011 0.600 -8.482) 8.503 14.288 ( -18.216 -3.419 6.313) 19.580 14.414 ( -18.177 -3.371 -6.824) 19.706 15.976 ( -7.598 0.423 2.933) 8.156 16.094 ( -4.318 -0.722 -10.629) 11.496 17.838 ( -14.097 2.549 16.080) 21.536 18.061 ( -12.613 3.020 -8.490) 15.501 ======================= Grid point 534 (151/219) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 13.406 -0.684 10.330) 16.938 2.264 ( 9.393 0.876 -10.315) 13.978 2.493 ( 14.563 -7.485 7.616) 18.058 2.680 ( 10.184 -8.936 -10.628) 17.219 3.292 ( 5.885 8.515 3.101) 10.805 3.364 ( 2.017 8.795 -4.881) 10.259 3.727 ( 4.882 5.610 6.643) 9.972 3.852 ( 1.222 6.526 -5.401) 8.559 4.067 ( 14.836 5.748 6.146) 17.057 4.163 ( 16.217 8.018 -4.452) 18.630 4.271 ( 16.492 -7.738 4.718) 18.818 4.385 ( 14.377 -10.753 -6.262) 19.014 4.726 ( 18.670 -3.123 4.264) 19.404 4.834 ( 20.094 0.613 -6.383) 21.092 5.268 ( 15.401 -6.132 5.841) 17.576 5.355 ( 17.751 -7.068 -3.081) 19.353 5.693 ( -7.087 2.714 11.943) 14.150 5.900 ( -12.091 3.549 -9.861) 16.001 7.702 ( -5.157 -2.264 3.094) 6.426 7.762 ( -2.629 -1.658 -3.180) 4.447 9.446 ( 16.971 0.898 1.149) 17.034 9.466 ( 14.047 -0.836 -0.881) 14.100 9.866 ( 10.591 6.564 9.517) 15.679 10.055 ( 10.843 7.418 -10.196) 16.630 10.421 ( 7.139 3.188 11.040) 13.528 10.675 ( -1.373 5.109 -13.903) 14.876 10.768 ( 10.543 3.588 4.133) 11.879 10.852 ( 9.483 5.361 -3.151) 11.340 11.376 ( -1.320 9.096 7.088) 11.607 11.509 ( -0.557 9.410 -7.113) 11.809 11.891 ( -4.302 -5.158 11.084) 12.960 12.098 ( -6.895 -8.091 -10.286) 14.792 12.375 ( 4.120 -0.850 13.939) 14.560 12.639 ( 5.651 -1.170 -14.011) 15.153 13.080 ( 0.122 5.419 10.800) 12.084 13.258 ( 0.712 -0.831 -7.582) 7.661 13.938 ( -19.006 -2.806 4.969) 19.845 14.036 ( -21.891 -4.324 -5.465) 22.974 15.834 ( -6.999 0.262 5.359) 8.819 15.997 ( -5.649 0.416 -12.834) 14.028 17.584 ( -11.216 2.175 16.061) 19.710 17.820 ( -10.695 3.169 -9.707) 14.787 ======================= Grid point 535 (152/219) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 9.562 -2.348 6.043) 11.553 2.418 ( 6.717 -0.534 -7.904) 10.386 2.771 ( 10.747 -3.598 5.726) 12.698 2.912 ( 9.216 -5.739 -8.407) 13.732 3.306 ( -0.200 5.980 0.042) 5.983 3.327 ( 1.411 5.485 -0.663) 5.702 3.718 ( 0.559 7.398 3.534) 8.218 3.786 ( -0.785 10.774 -3.313) 11.299 4.256 ( 4.778 -2.108 8.878) 10.300 4.386 ( 8.703 5.998 -5.247) 11.800 4.545 ( 8.642 -1.591 2.296) 9.083 4.618 ( 4.425 -9.858 -5.815) 12.271 5.119 ( 20.434 4.243 4.511) 21.352 5.207 ( 15.890 4.298 -4.322) 17.019 5.403 ( -0.971 -7.572 8.153) 11.169 5.533 ( -2.784 -5.931 -4.786) 8.114 5.850 ( 18.507 -1.265 6.057) 19.514 5.973 ( 23.077 -3.801 -6.408) 24.250 7.621 ( -4.816 -3.256 5.161) 7.774 7.720 ( -2.744 -2.149 -5.209) 6.267 9.720 ( 13.414 0.169 4.317) 14.092 9.778 ( 16.125 0.170 -1.758) 16.221 10.008 ( 9.370 10.515 7.826) 16.112 10.146 ( 2.740 10.067 -6.951) 12.536 10.499 ( 5.579 6.577 -0.627) 8.648 10.566 ( -1.615 5.292 -5.145) 7.555 10.970 ( 11.187 6.435 6.240) 14.335 11.090 ( 12.762 6.857 -4.897) 15.292 11.307 ( 0.073 0.451 5.971) 5.988 11.428 ( -2.696 3.994 -6.979) 8.481 11.834 ( -3.314 -1.771 10.154) 10.827 12.028 ( -3.962 -4.809 -9.893) 11.692 12.383 ( -3.124 2.648 14.392) 14.963 12.619 ( -6.561 3.349 -8.735) 11.426 12.996 ( -9.431 -2.248 6.756) 11.817 13.206 ( -10.786 -3.776 -12.905) 17.238 13.673 ( -6.793 -1.779 5.428) 8.875 13.736 ( -9.799 -3.114 -1.229) 10.355 15.704 ( -6.518 0.333 6.358) 9.112 15.884 ( -5.401 1.085 -13.533) 14.611 17.382 ( -8.633 1.770 15.572) 17.893 17.615 ( -8.762 2.981 -9.801) 13.481 ======================= Grid point 536 (153/219) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 5.739 -2.480 3.359) 7.098 2.525 ( 4.029 -0.893 -5.519) 6.891 2.937 ( 5.699 0.347 4.827) 7.477 3.069 ( 4.594 -0.424 -9.351) 10.427 3.273 ( -0.015 1.010 5.225) 5.321 3.361 ( 3.492 1.111 -3.282) 4.919 3.708 ( 3.141 6.158 2.037) 7.207 3.742 ( 2.365 7.529 -1.298) 7.998 4.274 ( -3.581 -1.870 7.455) 8.479 4.390 ( -4.058 3.394 -5.001) 7.280 4.626 ( 0.953 4.105 2.621) 4.963 4.692 ( -1.159 -3.026 -4.486) 5.533 5.255 ( 2.471 -2.322 5.456) 6.424 5.343 ( 3.047 1.094 -3.695) 4.913 5.624 ( 13.165 -4.337 2.780) 14.137 5.694 ( 15.946 -1.618 -4.504) 16.649 6.260 ( 18.739 -3.667 9.398) 21.282 6.420 ( 19.421 -3.871 -7.702) 21.248 7.559 ( -3.672 -3.539 6.667) 8.394 7.686 ( -2.095 -2.164 -6.624) 7.277 9.910 ( 3.148 6.753 6.634) 9.976 10.022 ( 10.436 4.010 8.484) 14.034 10.050 ( -1.741 7.868 -7.773) 11.196 10.176 ( 14.777 7.033 -6.816) 17.728 10.522 ( 5.090 5.751 5.251) 9.303 10.677 ( 10.969 4.169 -9.256) 14.946 11.032 ( -2.047 1.181 7.998) 8.340 11.128 ( -3.636 1.511 -1.229) 4.125 11.414 ( 5.453 1.284 0.170) 5.604 11.468 ( 10.870 4.813 -3.838) 12.492 11.791 ( -1.463 0.773 10.759) 10.885 11.996 ( -1.699 -1.553 -10.023) 10.284 12.249 ( -7.370 4.165 8.761) 12.183 12.415 ( -10.620 5.343 -7.099) 13.847 12.744 ( -16.630 -7.482 8.923) 20.301 12.958 ( -15.465 -7.671 -12.350) 21.226 13.645 ( -1.950 -0.416 3.235) 3.800 13.671 ( 1.536 -0.458 0.185) 1.614 15.581 ( -5.767 0.939 7.881) 9.811 15.788 ( -3.897 0.835 -14.735) 15.265 17.236 ( -5.709 0.932 14.698) 15.795 17.455 ( -6.273 2.063 -9.155) 11.288 ======================= Grid point 537 (154/219) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 2.684 -1.681 1.463) 3.488 2.583 ( 1.676 -0.118 -3.877) 4.226 3.003 ( 2.165 1.011 4.270) 4.893 3.110 ( 1.110 1.104 -7.078) 7.249 3.275 ( -0.014 0.422 7.857) 7.869 3.422 ( 2.143 -0.985 -7.411) 7.777 3.780 ( 6.605 2.994 2.234) 7.589 3.801 ( 6.750 2.351 0.505) 7.165 4.157 ( -7.918 1.537 4.347) 9.163 4.242 ( -7.980 3.959 -4.476) 9.970 4.587 ( -1.830 1.334 3.414) 4.097 4.655 ( -3.034 -2.961 -3.719) 5.640 5.340 ( 3.746 -1.616 3.627) 5.460 5.401 ( 2.752 -1.040 -2.821) 4.076 5.862 ( 8.731 -0.782 3.974) 9.625 5.951 ( 9.297 -0.666 -5.573) 10.859 6.559 ( 10.146 -2.317 9.921) 14.378 6.730 ( 10.586 -2.216 -8.272) 13.616 7.522 ( -2.015 -2.416 7.697) 8.315 7.666 ( -1.086 -1.353 -7.382) 7.583 9.830 ( -3.292 7.157 4.381) 9.014 9.909 ( -3.610 7.094 -3.286) 8.611 10.292 ( 14.519 1.383 6.073) 15.798 10.427 ( 11.518 2.482 -7.225) 13.821 10.636 ( 9.370 5.889 9.104) 14.330 10.821 ( 0.870 0.285 -6.489) 6.553 10.973 ( -3.040 -3.172 0.713) 4.451 11.019 ( -4.097 -2.780 -0.524) 4.978 11.491 ( 2.287 3.490 2.126) 4.683 11.577 ( 2.421 5.932 -5.361) 8.354 11.774 ( 1.200 2.242 9.585) 9.916 11.936 ( -5.218 3.998 -7.498) 9.971 12.128 ( -3.278 -1.391 3.950) 5.318 12.226 ( -4.917 -0.479 -5.781) 7.604 12.558 ( -5.664 -4.766 9.127) 11.752 12.732 ( -11.751 -4.701 -9.211) 15.653 13.606 ( -1.955 0.275 5.875) 6.198 13.699 ( 0.725 0.106 -3.968) 4.035 15.483 ( -3.493 0.926 10.052) 10.682 15.728 ( -2.036 0.334 -16.373) 16.503 17.153 ( -2.696 0.209 13.776) 14.039 17.356 ( -3.205 0.885 -8.324) 8.964 ======================= Grid point 538 (155/219) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.000 -0.000 0.482) 0.482 2.597 ( 0.000 0.000 -3.095) 3.095 3.020 ( 0.000 -0.000 4.173) 4.173 3.118 ( 0.000 -0.000 -6.198) 6.198 3.270 ( 0.000 -0.000 9.248) 9.248 3.444 ( 0.000 -0.000 -9.194) 9.194 3.862 ( 0.000 -0.000 5.037) 5.037 3.922 ( -0.000 -0.000 -1.327) 1.327 4.018 ( 0.000 -0.000 4.371) 4.371 4.119 ( 0.000 -0.000 -6.153) 6.153 4.565 ( 0.000 -0.000 3.824) 3.824 4.633 ( 0.000 -0.000 -3.373) 3.373 5.384 ( 0.000 -0.000 3.038) 3.038 5.434 ( 0.000 -0.000 -2.252) 2.252 5.949 ( 0.000 -0.000 4.168) 4.168 6.043 ( 0.000 -0.000 -5.919) 5.919 6.664 ( 0.000 -0.000 10.091) 10.091 6.839 ( 0.000 -0.000 -8.583) 8.583 7.510 ( 0.000 -0.000 8.134) 8.134 7.659 ( 0.000 -0.000 -7.596) 7.596 9.771 ( 0.000 -0.000 4.284) 4.284 9.851 ( 0.000 -0.000 -3.791) 3.791 10.488 ( 0.000 -0.000 5.327) 5.327 10.525 ( 0.000 -0.000 3.606) 3.606 10.736 ( -0.000 -0.000 1.554) 1.554 10.752 ( 0.000 0.000 -3.664) 3.664 10.913 ( 0.000 -0.000 4.753) 4.753 11.061 ( 0.000 -0.000 -9.164) 9.164 11.503 ( 0.000 -0.000 -2.197) 2.197 11.527 ( -0.000 0.000 -4.806) 4.806 11.797 ( 0.000 -0.000 6.632) 6.632 11.855 ( 0.000 -0.000 0.396) 0.396 12.087 ( 0.000 -0.000 6.398) 6.398 12.217 ( 0.000 0.000 -7.172) 7.172 12.561 ( 0.000 -0.000 0.355) 0.355 12.589 ( 0.000 -0.000 -2.515) 2.515 13.583 ( 0.000 -0.000 6.973) 6.973 13.703 ( 0.000 -0.000 -5.663) 5.663 15.446 ( 0.000 -0.000 11.081) 11.081 15.707 ( 0.000 -0.000 -17.095) 17.095 17.127 ( 0.000 -0.000 13.372) 13.372 17.323 ( 0.000 -0.000 -7.952) 7.952 ======================= Grid point 548 (156/219) ======================= q-point: ( 0.06 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 19.273 -0.000 19.336) 27.301 1.628 ( 13.256 -0.000 24.750) 28.076 1.890 ( 14.380 -0.000 -15.545) 21.176 2.028 ( 21.219 -0.000 -17.684) 27.622 2.511 ( 40.424 -0.000 13.475) 42.610 2.745 ( 21.188 -0.000 -10.363) 23.587 3.118 ( 22.425 -0.000 1.837) 22.500 3.199 ( 23.320 -0.000 -6.930) 24.328 3.581 ( 9.997 -0.000 3.736) 10.672 3.673 ( 25.413 -0.000 -5.430) 25.987 3.704 ( 14.057 -0.000 5.311) 15.027 3.833 ( -3.740 0.000 -8.232) 9.042 4.463 ( -3.964 0.000 5.849) 7.065 4.548 ( -1.116 0.000 -3.759) 3.921 4.886 ( -1.154 0.000 0.027) 1.155 4.890 ( -1.354 0.000 0.127) 1.360 6.167 ( -9.146 0.000 16.684) 19.026 6.445 ( -9.760 0.000 -13.081) 16.321 7.775 ( 1.097 -0.000 2.776) 2.985 7.831 ( -2.111 0.000 -3.208) 3.840 8.836 ( 16.700 -0.000 2.606) 16.903 8.935 ( 15.735 -0.000 -8.432) 17.852 9.441 ( 21.615 -0.000 6.445) 22.556 9.554 ( 22.451 -0.000 -4.646) 22.926 9.720 ( 32.484 -0.000 12.927) 34.961 9.948 ( 17.495 -0.000 -11.494) 20.933 10.995 ( -9.399 0.000 5.208) 10.746 11.101 ( -11.305 0.000 -6.023) 12.810 11.508 ( -1.973 0.000 8.274) 8.506 11.649 ( -3.612 0.000 -6.574) 7.500 11.863 ( 0.184 -0.000 6.594) 6.596 12.045 ( 9.198 -0.000 -13.052) 15.967 12.251 ( -1.768 0.000 6.816) 7.041 12.399 ( -3.476 0.000 -9.004) 9.651 12.995 ( 5.905 -0.000 11.936) 13.317 13.217 ( 5.829 -0.000 -11.771) 13.135 14.542 ( -11.649 0.000 5.227) 12.767 14.641 ( -8.881 0.000 -5.081) 10.232 16.121 ( -6.813 0.000 -1.591) 6.996 16.138 ( -1.754 0.000 -4.734) 5.048 18.183 ( -18.796 0.000 14.199) 23.556 18.351 ( -14.124 0.000 -5.229) 15.061 ======================= Grid point 549 (157/219) ======================= q-point: ( 0.12 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 13.659 6.146 19.300) 24.430 1.967 ( 16.632 -9.444 14.266) 23.861 2.171 ( 15.521 4.987 -12.151) 20.333 2.315 ( 10.527 -7.071 -20.534) 24.134 3.205 ( 23.352 7.120 4.027) 24.743 3.266 ( 31.709 2.320 -1.917) 31.852 3.462 ( 8.701 -6.008 10.479) 14.887 3.682 ( 25.320 -2.425 -4.252) 25.789 3.741 ( 19.174 0.781 -0.531) 19.197 3.792 ( 2.379 -1.293 -9.983) 10.344 4.101 ( 14.119 2.347 2.190) 14.479 4.162 ( 20.580 -0.600 -2.419) 20.730 4.387 ( 1.908 4.184 9.205) 10.289 4.575 ( 9.176 6.793 -10.850) 15.750 4.937 ( 8.154 -4.572 2.813) 9.763 4.961 ( 6.192 -6.779 0.366) 9.189 5.954 ( -12.374 1.190 15.643) 19.981 6.214 ( -13.522 1.598 -12.178) 18.268 7.772 ( -4.201 -0.519 0.343) 4.247 7.780 ( -0.953 -0.571 -0.509) 1.221 9.133 ( 15.987 0.335 2.260) 16.149 9.198 ( 12.999 -0.306 -4.824) 13.869 9.718 ( 12.713 1.981 9.186) 15.810 9.886 ( 15.170 1.957 -6.904) 16.782 10.253 ( 13.818 1.750 6.770) 15.486 10.368 ( 26.291 -1.737 -2.446) 26.461 10.860 ( -3.421 2.907 0.423) 4.509 10.904 ( -8.307 0.237 -5.471) 9.950 11.517 ( 2.804 4.642 6.709) 8.627 11.631 ( 1.720 3.659 -5.014) 6.441 11.858 ( -2.063 -3.131 12.549) 13.098 12.118 ( -4.807 -1.262 -13.601) 14.480 12.268 ( 3.381 -1.427 6.667) 7.610 12.437 ( 9.204 -1.090 -11.128) 14.482 13.094 ( 5.223 1.423 10.138) 11.492 13.259 ( -0.599 0.122 -6.850) 6.878 14.261 ( -17.675 -1.224 6.334) 18.815 14.387 ( -17.952 -1.222 -6.822) 19.244 15.979 ( -7.682 0.140 2.338) 8.031 16.086 ( -3.849 -0.452 -10.254) 10.962 17.859 ( -14.678 0.951 16.343) 21.987 18.085 ( -12.935 1.059 -8.639) 15.591 ======================= Grid point 550 (158/219) ======================= q-point: ( 0.19 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 12.077 1.258 12.876) 17.699 2.260 ( 9.877 -1.861 -2.029) 10.254 2.449 ( 16.089 0.474 -2.513) 16.291 2.579 ( 11.917 -8.315 -11.467) 18.511 3.386 ( 3.338 7.287 2.970) 8.548 3.443 ( 0.033 4.171 -3.217) 5.268 3.781 ( 11.443 3.692 6.032) 13.452 3.903 ( 7.385 2.540 -3.229) 8.451 4.092 ( 9.247 -1.119 3.583) 9.980 4.198 ( 20.208 -3.063 -4.786) 20.992 4.250 ( 11.193 2.703 -0.137) 11.516 4.290 ( 7.827 -3.009 -2.488) 8.747 4.705 ( 23.299 -0.679 6.900) 24.309 4.851 ( 19.877 1.879 -7.635) 21.376 5.204 ( 16.699 -4.492 5.472) 18.138 5.280 ( 18.020 -5.402 -2.496) 18.977 5.718 ( -8.216 1.495 12.261) 14.834 5.932 ( -13.560 1.913 -10.311) 17.142 7.682 ( -5.431 -1.227 3.390) 6.519 7.747 ( -2.678 -0.867 -3.493) 4.486 9.450 ( 15.296 0.042 0.342) 15.300 9.458 ( 15.477 -0.547 -0.372) 15.491 9.931 ( 11.592 4.282 9.911) 15.841 10.124 ( 11.365 4.217 -9.367) 15.319 10.451 ( 7.845 2.013 10.798) 13.498 10.720 ( 0.886 2.586 -15.537) 15.775 10.794 ( 10.222 1.185 5.985) 11.905 10.898 ( 8.863 2.651 -4.045) 10.096 11.485 ( -3.481 9.335 6.960) 12.153 11.594 ( -3.326 3.967 -3.568) 6.287 11.846 ( -1.455 -1.457 6.497) 6.815 11.999 ( -7.116 -8.611 -8.598) 14.097 12.368 ( 4.836 -0.391 13.375) 14.228 12.627 ( 7.047 -0.712 -14.105) 15.784 13.145 ( -1.124 5.506 7.004) 8.980 13.241 ( 0.282 -2.273 -2.832) 3.643 13.914 ( -17.950 -1.320 3.779) 18.391 13.994 ( -22.611 -2.752 -4.887) 23.297 15.835 ( -7.191 0.009 5.250) 8.903 15.999 ( -5.299 -0.081 -13.052) 14.087 17.604 ( -11.496 1.257 16.553) 20.193 17.849 ( -10.954 1.700 -10.126) 15.014 ======================= Grid point 551 (159/219) ======================= q-point: ( 0.25 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 9.245 -1.037 7.590) 12.007 2.413 ( 6.244 -0.449 -7.039) 9.420 2.742 ( 13.299 -1.194 2.513) 13.587 2.846 ( 11.457 -5.355 -7.278) 14.591 3.366 ( -1.480 4.156 -0.477) 4.437 3.387 ( -1.588 4.599 -1.832) 5.199 3.809 ( 0.371 8.416 5.919) 10.295 3.918 ( -0.568 11.942 -5.575) 13.192 4.177 ( 0.676 -10.008 11.336) 15.136 4.366 ( 0.271 -9.372 -9.488) 13.340 4.566 ( 14.547 2.449 0.390) 14.756 4.579 ( 16.212 4.107 -1.124) 16.762 5.165 ( 20.508 3.698 4.296) 21.277 5.253 ( 18.806 3.656 -4.996) 19.799 5.322 ( -4.296 -6.021 10.214) 12.611 5.463 ( -1.639 -6.243 -4.292) 7.751 5.842 ( 14.284 -0.222 3.496) 14.707 5.931 ( 21.880 -3.267 -5.288) 22.746 7.589 ( -5.012 -2.193 5.721) 7.916 7.699 ( -2.812 -1.443 -5.802) 6.607 9.716 ( 13.620 -0.521 4.145) 14.247 9.774 ( 15.412 -0.531 -2.037) 15.555 10.117 ( 11.228 7.760 7.650) 15.647 10.247 ( 3.461 6.947 -4.930) 9.195 10.561 ( 7.363 4.197 -1.041) 8.539 10.619 ( -3.548 3.678 -3.560) 6.228 11.045 ( 12.751 6.073 3.864) 14.642 11.157 ( 15.610 4.034 -6.422) 17.355 11.319 ( -7.138 2.164 7.412) 10.515 11.460 ( -7.046 1.391 -7.365) 10.287 11.818 ( -1.324 -1.029 8.365) 8.532 11.975 ( -0.838 -4.152 -7.881) 8.947 12.406 ( -0.995 1.357 15.270) 15.362 12.652 ( -4.549 2.314 -8.513) 9.925 12.977 ( -13.708 -0.999 5.050) 14.642 13.168 ( -14.586 -2.680 -12.088) 19.133 13.656 ( -5.827 -1.157 4.481) 7.442 13.702 ( -7.682 -2.510 -0.260) 8.086 15.706 ( -6.240 0.145 6.646) 9.118 15.893 ( -5.375 0.460 -13.912) 14.921 17.400 ( -9.083 1.273 16.170) 18.590 17.644 ( -9.277 1.953 -10.377) 14.056 ======================= Grid point 552 (160/219) ======================= q-point: ( 0.31 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 6.083 -1.727 4.536) 7.782 2.515 ( 4.161 -0.814 -5.756) 7.149 2.947 ( 7.677 1.290 3.807) 8.666 3.059 ( 8.051 -1.239 -7.701) 11.209 3.293 ( -2.617 2.435 2.563) 4.398 3.368 ( 0.651 0.223 -4.322) 4.377 3.780 ( 1.764 6.394 4.065) 7.779 3.842 ( 0.213 9.257 -2.048) 9.483 4.212 ( -2.534 -7.523 9.323) 12.245 4.368 ( -4.602 -6.445 -7.266) 10.747 4.701 ( 1.085 6.480 1.342) 6.706 4.727 ( 2.206 9.754 -1.519) 10.115 5.193 ( 0.102 -7.878 5.596) 9.664 5.295 ( -3.665 -8.337 -5.086) 10.431 5.630 ( 19.172 4.072 3.411) 19.894 5.701 ( 18.264 2.359 -4.214) 18.892 6.215 ( 18.515 -3.824 8.999) 20.938 6.372 ( 19.585 -4.306 -7.598) 21.444 7.522 ( -3.296 -2.697 7.408) 8.545 7.663 ( -1.777 -1.679 -7.364) 7.759 9.959 ( 8.446 2.210 5.665) 10.407 10.023 ( 10.763 -0.626 1.288) 10.858 10.171 ( -4.570 9.677 0.118) 10.702 10.261 ( 9.625 6.990 -6.127) 13.381 10.587 ( 5.131 5.183 5.583) 9.185 10.725 ( 9.800 3.872 -7.570) 12.974 11.056 ( -7.042 2.802 5.158) 9.168 11.141 ( -7.452 0.743 -1.610) 7.660 11.419 ( 8.424 -0.208 2.109) 8.686 11.523 ( 13.663 4.378 -6.403) 15.711 11.804 ( -0.260 1.253 9.862) 9.944 11.982 ( -0.023 -0.725 -8.488) 8.519 12.298 ( -8.852 4.287 10.677) 14.517 12.475 ( -9.836 4.341 -3.563) 11.326 12.656 ( -20.007 -6.998 5.026) 21.783 12.865 ( -15.265 -8.256 -12.930) 21.641 13.641 ( -1.276 -0.347 3.165) 3.430 13.666 ( 2.213 -0.462 0.146) 2.265 15.594 ( -5.103 1.178 7.703) 9.315 15.797 ( -4.086 0.675 -14.520) 15.099 17.245 ( -6.417 0.584 15.292) 16.594 17.475 ( -7.151 1.392 -9.760) 12.179 ======================= Grid point 553 (161/219) ======================= q-point: ( 0.38 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 3.354 -1.287 2.687) 4.486 2.581 ( 2.299 -0.246 -4.297) 4.880 3.025 ( 2.394 2.785 4.221) 5.595 3.134 ( 0.829 3.149 -7.213) 7.914 3.275 ( 0.800 -0.642 5.461) 5.557 3.400 ( 1.354 -2.692 -7.137) 7.747 3.815 ( 4.541 2.727 2.956) 6.066 3.838 ( 3.495 4.015 1.017) 5.419 4.152 ( -6.844 -1.935 5.794) 9.174 4.261 ( -8.579 -0.629 -5.232) 10.068 4.629 ( -4.247 3.224 0.509) 5.356 4.644 ( -1.554 3.304 -0.870) 3.753 5.295 ( 3.784 -5.642 2.574) 7.265 5.344 ( 1.572 -8.087 -2.454) 8.597 5.895 ( 11.123 5.584 3.477) 12.923 5.970 ( 11.065 3.623 -4.694) 12.554 6.525 ( 10.925 -3.357 9.727) 15.008 6.695 ( 11.193 -3.665 -8.289) 14.402 7.497 ( -0.799 -1.913 8.302) 8.557 7.651 ( -0.337 -1.083 -7.952) 8.033 9.911 ( -5.707 6.642 3.651) 9.487 9.986 ( -7.103 6.079 -3.678) 10.047 10.303 ( 15.304 0.804 8.099) 17.334 10.447 ( 9.140 1.143 -5.766) 10.867 10.700 ( 6.832 4.332 5.569) 9.821 10.812 ( -2.175 -1.494 -0.046) 2.639 10.934 ( -7.010 -2.862 -1.314) 7.685 11.010 ( 0.496 0.719 -5.644) 5.711 11.532 ( 1.866 3.498 4.384) 5.911 11.649 ( 0.730 6.213 -6.434) 8.974 11.803 ( 1.791 2.974 10.464) 11.025 11.977 ( -2.809 2.993 -7.932) 8.931 12.115 ( -5.379 -1.007 5.021) 7.427 12.223 ( -8.889 -0.532 -5.798) 10.627 12.492 ( -2.615 -6.139 8.936) 11.152 12.671 ( -9.908 -5.578 -9.748) 14.977 13.613 ( -1.357 0.976 5.553) 5.799 13.699 ( 0.858 -0.016 -3.595) 3.696 15.503 ( -3.083 2.265 9.320) 10.075 15.734 ( -2.082 0.631 -15.692) 15.842 17.151 ( -3.300 -0.440 14.172) 14.558 17.362 ( -4.111 0.204 -8.743) 9.663 ======================= Grid point 554 (162/219) ======================= q-point: ( 0.44 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 0.966 -0.311 1.190) 1.564 2.604 ( 0.384 1.031 -3.433) 3.605 3.030 ( -0.183 1.759 4.194) 4.551 3.119 ( -0.671 0.311 -4.396) 4.458 3.281 ( -0.033 1.613 6.298) 6.501 3.430 ( -0.036 -2.426 -8.602) 8.937 3.863 ( -1.491 0.004 5.486) 5.686 3.922 ( 2.915 -0.405 -0.700) 3.025 4.010 ( -5.348 -0.758 3.655) 6.522 4.109 ( -3.909 -1.574 -6.440) 7.696 4.578 ( 0.515 2.054 3.777) 4.330 4.643 ( 2.350 1.569 -3.006) 4.126 5.359 ( -0.324 -3.943 2.050) 4.456 5.394 ( -1.190 -6.268 -1.536) 6.562 5.988 ( 2.145 5.992 3.747) 7.385 6.072 ( 1.858 4.600 -5.264) 7.234 6.655 ( 1.033 -1.361 9.838) 9.986 6.828 ( 0.727 -1.973 -8.429) 8.687 7.511 ( 1.681 0.263 8.082) 8.259 7.660 ( 0.909 0.163 -7.576) 7.632 9.779 ( -4.301 1.392 3.892) 5.965 9.853 ( -4.339 0.264 -3.455) 5.552 10.473 ( -7.124 -1.899 5.366) 9.118 10.537 ( 3.737 1.395 1.752) 4.357 10.694 ( -8.305 -7.603 0.796) 11.288 10.727 ( 0.888 -1.651 1.418) 2.350 10.957 ( 8.154 5.520 1.120) 9.910 11.066 ( 0.950 0.854 -8.405) 8.502 11.500 ( -0.464 -0.186 -1.327) 1.418 11.540 ( -6.318 1.832 -4.903) 8.205 11.792 ( -3.209 -0.885 6.630) 7.419 11.853 ( -4.499 -0.358 -0.040) 4.514 12.100 ( 3.837 2.205 6.655) 7.992 12.229 ( 2.710 2.089 -6.947) 7.744 12.545 ( -0.111 -2.780 0.155) 2.787 12.573 ( 3.374 -2.769 -2.691) 5.128 13.591 ( 0.120 1.339 6.624) 6.759 13.704 ( -0.100 0.115 -5.247) 5.250 15.459 ( 0.058 2.170 10.518) 10.740 15.711 ( 0.002 0.534 -16.627) 16.636 17.121 ( -0.347 -0.946 13.405) 13.442 17.317 ( -0.740 -0.839 -7.988) 8.065 ======================= Grid point 555 (163/219) ======================= q-point: (-0.50 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -1.701 1.575 0.587) 2.391 2.588 ( -1.298 1.095 -3.280) 3.693 3.002 ( -2.072 0.705 4.462) 4.970 3.103 ( -1.374 -0.573 -5.899) 6.083 3.271 ( -0.208 -0.027 8.183) 8.186 3.419 ( -2.528 -1.489 -7.203) 7.778 3.751 ( -8.133 -1.877 2.334) 8.667 3.786 ( -8.740 -0.061 -0.734) 8.771 4.114 ( 6.622 -5.845 2.674) 9.228 4.178 ( 5.379 -6.379 -4.351) 9.410 4.602 ( 3.101 3.393 5.584) 7.232 4.699 ( 4.813 4.177 -4.686) 7.910 5.330 ( -4.509 -3.078 2.556) 6.028 5.368 ( -4.896 -5.860 -1.432) 7.769 5.912 ( -5.880 6.966 3.248) 9.677 5.989 ( -7.264 5.628 -5.026) 10.473 6.578 ( -9.214 0.990 9.687) 13.406 6.745 ( -9.764 0.324 -8.032) 12.647 7.551 ( 3.217 2.577 6.980) 8.106 7.682 ( 1.805 1.432 -6.722) 7.106 9.750 ( -0.334 -6.330 4.524) 7.787 9.826 ( -0.610 -7.094 -2.770) 7.640 10.269 ( -13.520 -2.600 3.657) 14.245 10.379 ( -15.119 -6.056 -7.359) 17.872 10.584 ( -7.520 -2.649 11.680) 14.142 10.811 ( -3.072 -1.058 -10.768) 11.247 11.001 ( 1.899 1.920 5.429) 6.063 11.072 ( 3.927 5.549 -0.048) 6.798 11.451 ( -3.939 -3.380 0.623) 5.228 11.515 ( -3.354 -4.608 -4.899) 7.515 11.748 ( -0.727 -2.338 8.285) 8.639 11.886 ( 6.444 -4.552 -6.670) 10.331 12.149 ( 1.270 2.420 3.353) 4.326 12.240 ( 2.210 1.931 -5.532) 6.262 12.597 ( 8.428 1.795 9.439) 12.781 12.774 ( 13.776 2.420 -9.291) 16.792 13.608 ( 2.060 0.642 5.664) 6.061 13.697 ( -0.735 -0.137 -3.769) 3.843 15.484 ( 3.464 1.017 9.932) 10.568 15.726 ( 1.814 0.091 -16.296) 16.397 17.146 ( 2.339 -0.952 13.369) 13.605 17.341 ( 2.429 -1.603 -7.911) 8.430 ======================= Grid point 556 (164/219) ======================= q-point: (-0.44 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -5.033 3.294 1.886) 6.303 2.537 ( -3.667 1.159 -4.771) 6.129 2.939 ( -4.191 0.733 5.206) 6.723 3.070 ( -2.588 -0.353 -8.692) 9.076 3.265 ( -1.178 -0.742 6.124) 6.280 3.341 ( -6.200 -2.141 -1.323) 6.691 3.637 ( -4.879 -5.819 1.572) 7.755 3.679 ( -3.574 -3.261 -2.947) 5.665 4.246 ( 2.303 -6.141 3.066) 7.240 4.304 ( 1.244 -9.866 -3.462) 10.529 4.638 ( 2.740 5.305 6.289) 8.672 4.757 ( 3.919 6.955 -6.324) 10.185 5.245 ( -5.751 -3.695 3.469) 7.665 5.286 ( -7.636 -7.173 -0.728) 10.502 5.712 ( -8.383 9.011 0.521) 12.319 5.744 ( -13.527 7.083 -3.066) 15.573 6.298 ( -18.494 2.878 9.424) 20.955 6.458 ( -18.930 2.564 -7.639) 20.574 7.602 ( 4.052 3.831 5.771) 8.025 7.712 ( 2.436 2.291 -5.718) 6.624 9.804 ( -1.403 -10.949 6.206) 12.663 9.890 ( -0.301 -12.961 0.968) 13.000 10.030 ( -11.794 -1.451 -1.623) 11.993 10.105 ( -15.407 -5.213 -4.953) 17.003 10.462 ( -6.255 -4.455 5.606) 9.508 10.635 ( -11.632 -2.694 -10.839) 16.126 11.027 ( -2.019 0.156 8.324) 8.567 11.109 ( -0.373 -1.569 -0.779) 1.791 11.384 ( -4.341 -4.173 -0.255) 6.026 11.418 ( -8.355 -3.707 -2.450) 9.463 11.786 ( 2.973 -0.174 11.919) 12.285 12.016 ( 4.320 1.643 -11.572) 12.461 12.204 ( 5.547 -3.292 7.789) 10.113 12.360 ( 9.793 -3.875 -7.674) 13.031 12.820 ( 15.474 5.421 10.054) 19.234 13.038 ( 15.670 5.951 -12.292) 20.786 13.650 ( 2.160 0.373 3.226) 3.900 13.676 ( -0.565 0.338 0.251) 0.705 15.574 ( 5.927 -0.147 7.691) 9.711 15.778 ( 3.348 -0.907 -14.523) 14.932 17.223 ( 5.204 -1.177 13.890) 14.880 17.428 ( 5.419 -2.566 -8.391) 10.313 ======================= Grid point 557 (165/219) ======================= q-point: (-0.38 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -9.245 4.000 4.094) 10.873 2.427 ( -7.086 1.186 -7.396) 10.311 2.819 ( -7.316 4.277 6.832) 10.886 2.973 ( -6.899 4.486 -9.000) 12.195 3.236 ( -2.757 -5.646 2.150) 6.641 3.265 ( -3.538 -5.164 0.522) 6.282 3.633 ( -0.705 -7.664 1.825) 7.910 3.674 ( -0.467 -8.063 -2.493) 8.452 4.226 ( -8.783 -5.770 2.761) 10.865 4.278 ( -11.118 -11.178 -2.979) 16.044 4.619 ( -1.314 9.707 6.266) 11.628 4.746 ( -0.463 11.010 -7.230) 13.180 5.067 ( -17.328 -4.639 4.835) 18.578 5.152 ( -13.040 -5.280 -3.655) 14.535 5.491 ( -3.061 7.470 5.964) 10.037 5.601 ( 1.681 5.863 -5.092) 7.945 5.870 ( -22.104 2.116 8.144) 23.652 6.016 ( -24.005 3.479 -7.088) 25.270 7.663 ( 4.565 3.810 4.447) 7.425 7.748 ( 2.716 2.537 -4.450) 5.798 9.700 ( -12.880 -4.114 4.684) 14.309 9.762 ( -17.166 -3.030 -1.466) 17.493 9.890 ( -5.553 -8.964 7.557) 12.973 10.026 ( -2.257 -9.808 -8.079) 12.905 10.413 ( -4.242 -7.990 0.254) 9.049 10.503 ( -1.229 -5.208 -7.336) 9.080 10.903 ( -11.681 -5.023 7.515) 14.770 11.009 ( -12.644 -6.869 -3.086) 14.717 11.299 ( -3.655 -1.214 2.943) 4.848 11.372 ( -0.646 -5.522 -5.115) 7.555 11.858 ( 5.301 2.280 11.984) 13.301 12.084 ( 5.729 4.815 -11.449) 13.678 12.347 ( 5.408 -3.328 13.776) 15.169 12.578 ( 8.609 -3.551 -9.172) 13.071 13.027 ( 5.598 3.017 8.117) 10.311 13.251 ( 7.176 3.889 -13.422) 15.709 13.695 ( 8.308 1.974 6.211) 10.559 13.772 ( 11.932 3.109 -2.157) 12.517 15.698 ( 6.552 -0.542 5.780) 8.754 15.867 ( 5.055 -1.942 -12.746) 13.849 17.360 ( 8.188 -1.825 14.568) 16.811 17.577 ( 8.134 -3.610 -8.921) 12.601 ======================= Grid point 558 (166/219) ======================= q-point: (-0.31 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -13.503 3.722 7.349) 15.817 2.255 ( -10.366 -0.163 -11.226) 15.281 2.601 ( -10.948 10.340 9.788) 17.960 2.781 ( -8.661 8.216 -8.233) 14.502 3.195 ( -6.970 -7.924 1.887) 10.720 3.254 ( -3.803 -9.675 -4.194) 11.209 3.650 ( -2.841 -7.724 5.952) 10.156 3.749 ( 1.530 -11.096 -3.123) 11.628 3.993 ( -17.632 -6.127 1.406) 18.720 4.050 ( -16.765 -10.628 -3.930) 20.235 4.388 ( -18.641 11.264 6.851) 22.832 4.504 ( -18.288 8.982 -3.614) 20.693 4.781 ( -12.502 6.259 0.046) 13.981 4.840 ( -18.040 1.826 -4.832) 18.765 5.336 ( -15.269 5.360 6.415) 17.407 5.436 ( -17.214 6.658 -3.744) 18.833 5.657 ( 5.052 -3.443 11.281) 12.832 5.852 ( 9.521 -4.612 -9.238) 14.045 7.733 ( 4.780 2.977 2.705) 6.248 7.785 ( 2.621 2.305 -2.768) 4.454 9.425 ( -17.457 -2.944 2.892) 17.938 9.473 ( -13.657 0.077 -2.008) 13.804 9.791 ( -8.904 -5.810 8.357) 13.523 9.961 ( -9.780 -8.346 -9.873) 16.211 10.378 ( -5.122 -4.350 9.961) 12.016 10.604 ( 3.069 -7.043 -12.218) 14.433 10.709 ( -10.008 -6.463 3.267) 12.353 10.777 ( -11.345 -7.411 -2.353) 13.753 11.281 ( -1.783 -7.148 5.494) 9.190 11.393 ( -2.158 -10.253 -6.688) 12.430 11.951 ( 6.042 5.107 12.605) 14.882 12.183 ( 7.327 6.537 -11.365) 15.020 12.387 ( -2.508 1.151 14.470) 14.731 12.653 ( -3.320 1.254 -13.793) 14.242 13.025 ( -2.144 -3.908 13.468) 14.186 13.264 ( -1.827 0.310 -11.280) 11.431 13.977 ( 20.018 3.842 6.002) 21.249 14.090 ( 21.692 4.940 -6.046) 23.054 15.828 ( 6.658 -0.846 5.250) 8.521 15.986 ( 5.935 -1.645 -12.243) 13.704 17.556 ( 10.840 -2.502 15.113) 18.767 17.777 ( 10.308 -4.194 -8.944) 14.277 ======================= Grid point 559 (167/219) ======================= q-point: (-0.25 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -15.988 2.539 12.093) 20.207 2.042 ( -12.262 -2.025 -15.826) 20.123 2.292 ( -13.588 14.411 14.135) 24.333 2.542 ( -11.443 10.520 -11.939) 19.600 3.004 ( -18.649 -8.160 5.371) 21.053 3.107 ( -19.990 -7.972 -5.681) 22.258 3.607 ( -3.175 -2.826 7.982) 9.043 3.674 ( -19.576 -4.743 2.328) 20.277 3.731 ( -23.265 0.713 -1.354) 23.316 3.825 ( -4.271 -4.908 -5.623) 8.600 3.974 ( -12.727 -4.063 6.117) 14.694 4.135 ( -11.426 0.323 -5.195) 12.556 4.362 ( -26.166 5.401 -1.373) 26.753 4.406 ( -24.043 -0.943 -5.960) 24.788 5.143 ( -4.906 9.692 3.033) 11.278 5.177 ( 0.012 8.580 -0.796) 8.617 5.873 ( 11.011 -5.665 14.161) 18.812 6.107 ( 11.664 -7.490 -10.829) 17.590 7.806 ( 4.130 2.365 0.398) 4.776 7.817 ( 2.213 2.498 -0.679) 3.405 9.105 ( -17.235 -2.266 4.788) 18.031 9.209 ( -14.141 0.139 -6.262) 15.466 9.623 ( -11.806 -4.319 7.430) 14.603 9.772 ( -14.556 -6.488 -8.072) 17.864 10.205 ( -13.142 -1.543 11.923) 17.812 10.407 ( -18.268 -0.093 -8.068) 19.971 10.716 ( 1.388 -8.649 4.837) 10.007 10.828 ( 5.791 -6.781 -7.442) 11.615 11.303 ( -1.015 -11.263 5.596) 12.617 11.419 ( -1.297 -12.701 -6.839) 14.483 11.993 ( 0.694 6.832 13.037) 14.735 12.193 ( -3.832 4.879 0.515) 6.226 12.342 ( 1.628 4.097 -2.641) 5.139 12.497 ( -6.936 3.392 -11.310) 13.694 13.022 ( -1.850 -3.773 12.639) 13.319 13.245 ( -0.561 -1.169 -10.725) 10.803 14.337 ( 19.086 4.983 6.232) 20.687 14.463 ( 18.563 4.804 -6.780) 20.338 15.969 ( 7.572 -0.933 3.602) 8.437 16.098 ( 4.912 -0.202 -10.930) 11.985 17.803 ( 13.212 -3.382 15.406) 20.575 18.017 ( 12.054 -4.522 -8.070) 15.194 ======================= Grid point 560 (168/219) ======================= q-point: (-0.19 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -15.203 1.199 18.157) 23.711 1.822 ( -11.647 -2.178 -19.506) 22.823 1.904 ( -19.652 13.415 15.292) 28.284 2.151 ( -25.696 7.141 -11.010) 28.853 2.591 ( -26.825 5.620 8.451) 28.681 2.700 ( -15.498 -1.842 -3.871) 16.080 3.181 ( -25.895 5.534 4.849) 26.920 3.251 ( -23.250 1.531 -1.399) 23.343 3.595 ( -4.545 0.466 6.374) 7.842 3.678 ( -20.968 -1.603 2.379) 21.164 3.715 ( -20.588 -0.883 -1.251) 20.645 3.837 ( -3.517 4.598 -18.160) 19.061 4.123 ( -1.522 -17.978 6.356) 19.130 4.255 ( -0.025 -19.026 -8.134) 20.691 5.059 ( 1.483 12.445 7.349) 14.528 5.160 ( 3.066 11.451 -4.144) 12.558 6.102 ( 8.941 -5.733 15.369) 18.682 6.355 ( 9.174 -7.753 -11.757) 16.808 7.822 ( 0.544 3.815 2.005) 4.344 7.867 ( 2.924 2.920 -2.721) 4.948 8.788 ( -18.252 -3.655 5.176) 19.321 8.914 ( -17.977 -1.439 -8.431) 19.908 9.373 ( -18.323 -3.841 5.077) 19.398 9.457 ( -22.546 -4.319 -3.147) 23.170 9.882 ( -19.245 8.344 8.360) 22.580 10.022 ( -16.128 5.809 -6.591) 18.366 10.834 ( 5.247 -12.433 7.066) 15.232 10.978 ( 5.592 -9.849 -8.119) 13.935 11.390 ( 3.387 -9.787 6.350) 12.148 11.512 ( 2.713 -11.628 -6.711) 13.698 11.932 ( 0.109 5.658 6.145) 8.353 12.079 ( -5.770 3.336 -6.549) 9.344 12.296 ( -0.316 4.339 6.063) 7.462 12.478 ( 3.663 4.623 -10.720) 12.236 12.976 ( -4.588 -1.190 12.166) 13.057 13.211 ( -4.672 -0.455 -12.925) 13.751 14.616 ( 12.762 5.779 4.980) 14.868 14.710 ( 10.046 5.365 -4.694) 12.318 16.121 ( 7.514 0.066 -0.516) 7.532 16.169 ( 2.880 1.439 -6.406) 7.169 18.103 ( 15.456 -5.730 14.782) 22.141 18.287 ( 12.911 -5.236 -5.823) 15.100 ======================= Grid point 561 (169/219) ======================= q-point: (-0.12 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -10.109 1.163 23.711) 25.802 1.334 ( -30.902 8.513 12.724) 34.486 1.523 ( -29.274 5.211 -10.443) 31.515 1.662 ( -8.129 -0.232 -21.329) 22.826 2.131 ( -10.710 19.837 29.705) 37.291 2.540 ( -2.713 1.318 -10.622) 11.042 2.735 ( -17.500 1.068 1.639) 17.609 2.850 ( -15.890 3.578 -11.827) 20.129 3.223 ( -17.002 1.245 0.068) 17.048 3.240 ( -19.105 1.197 -2.010) 19.248 3.701 ( 4.459 -4.840 8.019) 10.374 3.894 ( 4.261 -4.031 -10.148) 11.721 4.271 ( 3.307 -20.964 5.998) 22.055 4.398 ( 1.738 -19.738 -8.434) 21.535 5.029 ( 2.460 11.971 8.293) 14.769 5.144 ( 2.450 12.673 -4.967) 13.830 6.269 ( 5.337 -4.131 16.048) 17.410 6.535 ( 5.128 -6.221 -12.442) 14.826 7.790 ( -1.376 5.121 3.606) 6.412 7.868 ( -1.956 2.894 -4.497) 5.694 8.364 ( -29.555 2.874 2.867) 29.832 8.461 ( -28.828 2.404 -7.105) 29.788 8.943 ( -18.295 2.291 6.450) 19.534 9.054 ( -17.606 0.226 -4.960) 18.293 9.554 ( -6.952 12.957 8.476) 16.972 9.771 ( -6.322 5.796 -13.527) 16.017 11.058 ( 8.791 -14.692 8.073) 18.929 11.194 ( 10.029 -12.944 -6.243) 17.524 11.489 ( -0.918 -9.709 4.440) 10.715 11.566 ( -4.992 -10.695 -4.414) 12.601 12.011 ( 9.515 5.809 -1.118) 11.204 12.028 ( 7.122 5.691 -2.661) 9.497 12.293 ( 0.787 1.415 10.866) 10.986 12.503 ( 1.377 4.481 -11.560) 12.474 12.857 ( -7.780 0.181 9.004) 11.901 13.043 ( -11.962 2.534 -11.414) 16.727 14.751 ( 4.906 5.654 2.483) 7.887 14.796 ( 3.129 6.168 -2.194) 7.256 16.185 ( 0.846 2.819 0.618) 3.008 16.244 ( 4.695 1.418 -4.638) 6.750 18.447 ( 14.147 -10.434 10.240) 20.344 18.551 ( 10.564 -5.989 -2.038) 12.313 ======================= Grid point 562 (170/219) ======================= q-point: (-0.06 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 9.773 16.917) 19.537 1.119 ( 0.000 -0.649 27.791) 27.799 1.138 ( -0.000 5.521 -13.048) 14.168 1.588 ( -0.000 0.564 -22.371) 22.378 1.927 ( -0.000 18.619 41.395) 45.390 2.537 ( 0.000 -0.556 1.167) 1.292 2.558 ( 0.000 -0.355 -1.036) 1.095 2.644 ( -0.000 4.748 -35.137) 35.457 3.042 ( -0.000 0.211 0.351) 0.410 3.049 ( -0.000 0.590 -0.337) 0.680 3.813 ( 0.000 -8.796 10.339) 13.575 3.977 ( 0.000 -4.800 -5.703) 7.454 4.436 ( 0.000 -18.797 1.900) 18.893 4.523 ( 0.000 -15.748 -8.074) 17.697 5.003 ( -0.000 7.871 7.241) 10.695 5.103 ( -0.000 11.606 -4.060) 12.296 6.341 ( 0.000 -1.615 16.250) 16.330 6.614 ( 0.000 -3.801 -12.992) 13.536 7.680 ( -0.000 4.652 4.619) 6.556 7.778 ( -0.000 4.886 -5.742) 7.539 7.929 ( -0.000 9.352 7.590) 12.045 8.073 ( -0.000 15.109 -8.385) 17.280 8.773 ( -0.000 0.312 6.545) 6.552 8.886 ( -0.000 0.421 -5.432) 5.448 9.431 ( -0.000 9.142 11.276) 14.516 9.690 ( -0.000 3.593 -15.753) 16.157 11.254 ( 0.000 -11.981 10.994) 16.261 11.451 ( 0.000 -11.239 -10.247) 15.209 11.478 ( 0.000 -7.418 1.090) 7.498 11.500 ( 0.000 -7.304 -1.184) 7.399 12.129 ( -0.000 3.729 1.202) 3.918 12.151 ( -0.000 3.694 -1.109) 3.857 12.295 ( 0.000 -0.647 9.674) 9.696 12.478 ( -0.000 4.075 -10.420) 11.188 12.746 ( -0.000 0.260 5.403) 5.410 12.845 ( -0.000 5.422 -5.188) 7.504 14.762 ( -0.000 4.027 1.285) 4.227 14.787 ( -0.000 5.661 -1.323) 5.813 16.174 ( -0.000 2.759 4.870) 5.598 16.280 ( -0.000 1.675 -6.100) 6.326 18.658 ( 0.000 -9.325 4.675) 10.431 18.719 ( 0.000 -7.572 -1.399) 7.700 ======================= Grid point 565 (171/219) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 10.769 -0.000 14.153) 17.784 2.242 ( 12.076 -0.000 2.763) 12.388 2.491 ( 12.249 -0.000 -13.815) 18.463 2.495 ( 15.660 -0.000 -6.214) 16.848 3.443 ( -1.238 0.000 1.111) 1.663 3.456 ( 2.094 -0.000 0.047) 2.095 3.806 ( 16.772 -0.000 5.006) 17.503 3.916 ( 8.875 -0.000 -0.170) 8.877 4.085 ( 10.516 -0.000 -2.520) 10.813 4.156 ( 13.108 -0.000 -5.079) 14.058 4.272 ( 11.766 -0.000 -0.068) 11.766 4.287 ( 6.980 -0.000 0.020) 6.980 4.703 ( 24.889 -0.000 7.944) 26.126 4.865 ( 19.211 -0.000 -8.162) 20.874 5.176 ( 17.904 -0.000 5.168) 18.635 5.245 ( 17.913 -0.000 -2.091) 18.034 5.727 ( -8.578 0.000 12.350) 15.037 5.944 ( -14.034 0.000 -10.472) 17.510 7.674 ( -5.531 0.000 3.501) 6.545 7.742 ( -2.704 0.000 -3.610) 4.511 9.450 ( 13.518 -0.000 0.222) 13.520 9.455 ( 17.167 -0.000 -0.328) 17.170 9.957 ( 11.900 -0.000 9.973) 15.527 10.149 ( 11.523 -0.000 -8.745) 14.465 10.464 ( 7.926 -0.000 10.354) 13.039 10.735 ( 2.347 -0.000 -16.146) 16.315 10.800 ( 9.386 -0.000 6.873) 11.634 10.914 ( 8.859 -0.000 -4.458) 9.918 11.578 ( -9.108 0.000 4.198) 10.029 11.579 ( 0.130 -0.000 4.264) 4.266 11.859 ( 3.664 -0.000 0.178) 3.668 11.927 ( -10.805 0.000 -7.152) 12.957 12.365 ( 5.022 -0.000 13.132) 14.060 12.623 ( 7.506 -0.000 -14.124) 15.995 13.197 ( -6.390 0.000 2.790) 6.972 13.208 ( 5.060 -0.000 1.815) 5.376 13.906 ( -17.299 0.000 3.190) 17.591 13.977 ( -23.190 0.000 -4.613) 23.645 15.835 ( -7.256 0.000 5.175) 8.913 15.998 ( -5.140 0.000 -13.095) 14.067 17.611 ( -11.600 0.000 16.701) 20.335 17.859 ( -11.045 0.000 -10.258) 15.074 ======================= Grid point 566 (172/219) ======================= q-point: ( 0.19 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 8.743 -0.251 8.453) 12.164 2.408 ( 6.203 -0.248 -5.821) 8.510 2.743 ( 13.718 0.974 -1.728) 13.861 2.794 ( 13.625 -3.252 -4.977) 14.865 3.399 ( -2.533 1.485 -0.455) 2.972 3.426 ( -2.992 1.770 -2.592) 4.337 3.913 ( 0.334 9.019 7.658) 11.836 4.051 ( 4.157 -5.150 6.459) 9.248 4.063 ( -4.310 7.127 -3.756) 9.137 4.229 ( -0.589 -12.388 -8.365) 14.960 4.601 ( 17.776 2.241 0.741) 17.932 4.620 ( 18.542 1.991 -1.201) 18.687 5.205 ( 15.403 3.371 5.799) 16.800 5.249 ( 9.535 -4.152 7.073) 12.577 5.314 ( 9.830 4.237 -2.754) 11.053 5.391 ( -1.470 -5.597 -3.553) 6.791 5.843 ( 10.850 0.255 1.524) 10.960 5.902 ( 21.576 -1.493 -4.128) 22.018 7.572 ( -5.116 -0.774 6.029) 7.945 7.688 ( -2.861 -0.509 -6.125) 6.780 9.711 ( 13.694 -0.245 4.036) 14.279 9.769 ( 15.129 -0.269 -2.155) 15.284 10.180 ( 11.841 2.840 7.459) 14.279 10.302 ( 3.845 2.407 -3.150) 5.522 10.595 ( 8.169 1.492 -1.556) 8.448 10.648 ( -4.205 1.262 -2.737) 5.174 11.099 ( 15.784 2.821 2.180) 16.182 11.179 ( 16.282 0.350 -4.949) 17.021 11.354 ( -11.857 2.759 4.076) 12.838 11.462 ( -10.632 -0.681 -5.513) 11.996 11.812 ( -0.786 -0.127 6.617) 6.665 11.937 ( 2.654 -1.942 -6.064) 6.898 12.416 ( 0.168 0.343 15.887) 15.892 12.671 ( -3.219 0.810 -8.539) 9.161 12.971 ( -16.580 -0.180 3.823) 17.016 13.146 ( -17.098 -0.955 -11.368) 20.554 13.647 ( -5.658 -0.330 3.639) 6.735 13.681 ( -6.009 -1.054 0.552) 6.126 15.707 ( -6.003 0.035 6.755) 9.037 15.896 ( -5.258 0.113 -14.044) 14.997 17.410 ( -9.362 0.461 16.438) 18.923 17.660 ( -9.567 0.678 -10.659) 14.339 ======================= Grid point 567 (173/219) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 6.183 -0.928 5.241) 8.159 2.508 ( 4.178 -0.508 -5.812) 7.175 2.964 ( 9.341 1.439 2.473) 9.769 3.043 ( 10.696 -1.350 -5.221) 11.979 3.324 ( -3.996 2.558 -0.483) 4.769 3.366 ( -2.086 -0.516 -4.126) 4.652 3.855 ( -0.487 6.295 6.130) 8.800 3.945 ( -2.819 7.346 -2.116) 8.148 4.128 ( 0.761 -5.501 6.985) 8.923 4.269 ( -2.199 -9.608 -7.157) 12.181 4.794 ( 0.370 9.015 4.216) 9.959 4.852 ( 5.354 10.542 -2.125) 12.013 5.086 ( -0.784 -9.965 4.886) 11.126 5.184 ( -8.519 -9.581 -5.130) 13.809 5.683 ( 21.073 4.072 2.255) 21.581 5.733 ( 19.698 2.533 -3.043) 20.092 6.176 ( 17.939 -2.680 8.498) 20.030 6.327 ( 19.488 -3.093 -7.440) 21.088 7.498 ( -3.016 -1.453 7.891) 8.572 7.648 ( -1.548 -0.915 -7.843) 8.047 9.973 ( 12.321 0.459 4.762) 13.217 10.016 ( 9.475 -0.529 0.063) 9.490 10.261 ( -4.396 5.668 1.300) 7.290 10.325 ( 5.135 3.752 -4.160) 7.600 10.636 ( 5.992 2.928 6.586) 9.373 10.762 ( 8.338 2.343 -6.916) 11.083 11.093 ( -11.534 3.366 0.913) 12.049 11.143 ( -10.886 -0.519 -2.099) 11.098 11.413 ( 12.131 -0.650 4.795) 13.061 11.565 ( 16.350 2.738 -8.838) 18.786 11.818 ( 0.879 1.033 9.567) 9.662 11.978 ( 0.931 -0.132 -7.254) 7.315 12.349 ( -9.122 4.567 13.032) 16.550 12.483 ( -10.913 -3.878 9.955) 15.272 12.620 ( -23.208 2.075 -8.842) 24.922 12.772 ( -14.342 -7.601 -13.906) 21.374 13.638 ( -0.545 -0.185 3.062) 3.116 13.661 ( 2.564 -0.303 0.143) 2.586 15.605 ( -4.385 0.794 7.436) 8.669 15.803 ( -4.082 0.383 -14.203) 14.782 17.249 ( -7.033 0.262 15.660) 17.169 17.488 ( -7.816 0.688 -10.153) 12.831 ======================= Grid point 568 (174/219) ======================= q-point: ( 0.31 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 3.909 -0.860 3.588) 5.375 2.577 ( 2.760 -0.412 -4.368) 5.183 3.065 ( 3.000 3.968 4.637) 6.800 3.181 ( 1.850 4.653 -7.790) 9.261 3.259 ( 0.432 -1.884 3.465) 3.968 3.362 ( 0.144 -3.846 -6.668) 7.699 3.840 ( 1.373 1.474 4.567) 4.992 3.886 ( 0.188 3.849 0.674) 3.913 4.128 ( -3.591 -1.530 4.795) 6.183 4.234 ( -6.305 -3.525 -5.580) 9.128 4.652 ( -5.486 2.428 4.425) 7.455 4.724 ( -6.015 7.684 -3.202) 10.270 5.222 ( 4.952 -6.415 0.375) 8.112 5.238 ( 3.054 -9.137 -1.140) 9.701 5.969 ( 11.900 6.408 2.499) 13.745 6.021 ( 12.134 4.464 -3.150) 13.307 6.485 ( 11.578 -3.355 9.234) 15.185 6.650 ( 11.522 -3.857 -8.166) 14.640 7.478 ( 0.192 -1.206 8.720) 8.805 7.641 ( 0.287 -0.691 -8.362) 8.396 9.978 ( -6.760 4.697 2.586) 8.629 10.046 ( -8.629 4.006 -4.161) 10.384 10.314 ( 14.874 1.159 9.661) 17.774 10.455 ( 8.469 0.257 -3.968) 9.356 10.723 ( -4.826 -0.160 4.575) 6.652 10.800 ( -0.606 -0.650 0.560) 1.050 10.913 ( -5.608 -0.742 -1.119) 5.766 11.025 ( 2.609 1.552 -9.080) 9.574 11.570 ( 2.193 2.888 6.761) 7.672 11.710 ( -1.670 4.001 -6.164) 7.536 11.850 ( 2.203 5.305 9.162) 10.814 12.004 ( 0.404 1.696 -6.982) 7.196 12.102 ( -6.495 -1.302 5.406) 8.550 12.205 ( -13.175 -2.746 -4.397) 14.158 12.429 ( -0.366 -4.165 7.649) 8.717 12.610 ( -8.320 -4.587 -10.627) 14.255 13.626 ( -0.523 1.145 4.854) 5.015 13.698 ( 0.971 -0.206 -2.842) 3.010 15.531 ( -2.402 2.316 8.196) 8.849 15.741 ( -2.066 0.560 -14.665) 14.820 17.144 ( -3.942 -0.635 14.518) 15.057 17.362 ( -4.941 -0.146 -9.103) 10.358 ======================= Grid point 569 (175/219) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 1.726 0.041 2.368) 2.931 2.615 ( 1.192 0.683 -3.552) 3.808 3.060 ( -0.550 3.401 4.391) 5.581 3.130 ( -2.317 1.754 -1.876) 3.459 3.299 ( 0.935 1.137 0.631) 1.602 3.390 ( -0.228 -4.173 -7.143) 8.276 3.859 ( -2.345 -0.761 6.199) 6.671 3.905 ( 2.667 -2.323 1.482) 3.835 4.015 ( -7.421 1.670 1.021) 7.674 4.088 ( -6.522 -1.709 -6.478) 9.350 4.603 ( 1.233 1.932 4.235) 4.816 4.668 ( 2.806 2.678 -2.689) 4.720 5.301 ( -0.577 -6.082 0.384) 6.121 5.313 ( -0.546 -6.470 -0.730) 6.534 6.069 ( 2.913 7.358 3.353) 8.595 6.137 ( 3.054 6.051 -3.968) 7.854 6.635 ( 2.102 -2.025 9.011) 9.472 6.796 ( 1.368 -3.277 -7.998) 8.751 7.515 ( 3.101 0.365 7.962) 8.552 7.663 ( 1.685 0.230 -7.530) 7.720 9.800 ( -7.915 2.173 2.842) 8.686 9.857 ( -8.250 0.446 -2.640) 8.674 10.451 ( -9.805 -1.743 4.666) 10.997 10.538 ( -6.393 -2.669 -3.593) 7.804 10.617 ( 1.462 -3.691 8.707) 9.570 10.703 ( 1.522 -2.333 0.301) 2.802 11.016 ( 7.765 4.434 -1.950) 9.152 11.077 ( 2.484 0.926 -6.886) 7.379 11.502 ( -3.473 0.540 0.428) 3.541 11.563 ( -8.996 1.923 -4.646) 10.306 11.778 ( -5.779 -1.358 6.618) 8.890 11.847 ( -8.274 -0.603 -1.056) 8.363 12.136 ( 7.426 3.969 7.316) 11.155 12.264 ( 5.462 3.901 -6.321) 9.219 12.500 ( -0.173 -4.680 -0.513) 4.712 12.528 ( 5.113 -4.808 -3.211) 7.718 13.611 ( 0.252 2.049 5.656) 6.021 13.704 ( -0.192 -0.068 -4.124) 4.129 15.492 ( 0.188 3.240 9.067) 9.630 15.718 ( -0.044 0.637 -15.396) 15.409 17.107 ( -0.624 -1.365 13.478) 13.562 17.305 ( -1.389 -1.214 -8.074) 8.282 ======================= Grid point 570 (176/219) ======================= q-point: (-0.56 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -0.519 1.259 1.146) 1.779 2.610 ( -0.878 2.383 -3.270) 4.141 3.018 ( -2.221 1.987 4.508) 5.404 3.092 ( -1.807 -1.278 -2.032) 3.005 3.279 ( -1.637 1.442 3.535) 4.154 3.386 ( -2.920 -4.112 -6.362) 8.119 3.739 ( -8.600 -0.235 3.305) 9.216 3.798 ( -9.348 1.827 -2.000) 9.732 4.030 ( 4.243 -8.013 3.073) 9.574 4.108 ( 3.295 -5.462 -5.502) 8.424 4.651 ( 4.929 4.490 6.022) 8.984 4.745 ( 6.214 3.651 -4.105) 8.295 5.276 ( -5.473 -6.154 0.923) 8.287 5.291 ( -5.218 -6.284 -0.572) 8.188 6.003 ( -4.863 8.123 3.089) 9.958 6.069 ( -5.839 7.571 -4.008) 10.368 6.583 ( -8.151 0.005 8.828) 12.015 6.738 ( -8.838 -1.443 -7.527) 11.698 7.580 ( 4.220 2.304 6.272) 7.903 7.698 ( 2.373 1.275 -6.074) 6.644 9.687 ( -4.380 -4.563 4.010) 7.489 9.748 ( -4.650 -6.160 -1.959) 7.963 10.231 ( -13.672 -4.012 1.421) 14.319 10.298 ( -15.536 -7.127 -4.841) 17.765 10.572 ( -6.873 0.257 10.779) 12.786 10.802 ( -2.751 -0.481 -11.960) 12.282 11.022 ( 1.713 1.882 9.084) 9.434 11.135 ( 2.277 4.999 -0.669) 5.534 11.414 ( -6.663 -2.945 -0.329) 7.292 11.470 ( -4.267 -3.339 -5.100) 7.441 11.719 ( -0.384 -2.516 6.892) 7.346 11.834 ( 6.840 -4.252 -6.109) 10.109 12.185 ( -0.654 3.727 3.492) 5.149 12.271 ( 0.604 3.363 -5.073) 6.117 12.600 ( 11.105 -1.150 9.872) 14.903 12.787 ( 15.913 -0.175 -9.835) 18.708 13.620 ( 1.676 1.379 4.927) 5.384 13.695 ( -0.896 -0.242 -2.985) 3.126 15.505 ( 3.060 2.588 8.854) 9.719 15.729 ( 1.403 0.269 -15.331) 15.398 17.132 ( 2.298 -1.367 12.955) 13.228 17.320 ( 1.887 -1.967 -7.538) 8.016 ======================= Grid point 571 (177/219) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -3.813 3.655 0.775) 5.339 2.556 ( -3.191 2.492 -3.632) 5.439 2.952 ( -3.669 1.291 5.005) 6.338 3.060 ( -2.528 -1.425 -5.835) 6.516 3.242 ( -2.536 -3.159 5.259) 6.639 3.316 ( -6.680 -2.450 -1.743) 7.326 3.584 ( -6.671 -2.669 3.156) 7.848 3.666 ( -4.068 0.828 -4.998) 6.498 4.144 ( 0.757 -10.792 1.844) 10.975 4.196 ( 0.317 -8.081 -4.020) 9.031 4.717 ( 5.102 7.389 7.113) 11.455 4.836 ( 5.649 6.373 -5.721) 10.259 5.178 ( -8.563 -7.400 2.158) 11.521 5.204 ( -7.284 -6.594 -0.361) 9.832 5.810 ( -9.539 8.101 1.100) 12.563 5.846 ( -10.900 9.436 -2.629) 14.655 6.326 ( -17.853 2.006 8.839) 20.022 6.479 ( -18.166 0.932 -7.332) 19.612 7.645 ( 4.369 3.523 4.851) 7.418 7.737 ( 2.744 2.054 -4.782) 5.884 9.672 ( -3.149 -11.269 5.335) 12.860 9.744 ( -1.902 -11.893 -0.772) 12.069 9.989 ( -14.466 -5.523 0.962) 15.514 10.062 ( -11.224 -2.432 -5.489) 12.728 10.422 ( -8.236 -2.444 6.993) 11.077 10.619 ( -11.868 -0.156 -11.981) 16.865 11.032 ( -4.527 0.592 7.113) 8.453 11.095 ( -4.630 -0.700 -0.290) 4.691 11.325 ( -5.091 -5.551 1.358) 7.653 11.378 ( -5.888 -3.370 -2.868) 7.365 11.785 ( 4.922 -0.268 12.440) 13.381 12.027 ( 7.926 0.144 -12.796) 15.053 12.178 ( 3.302 -1.108 7.965) 8.694 12.330 ( 7.822 -1.056 -7.722) 11.042 12.868 ( 15.626 2.937 10.711) 19.171 13.094 ( 16.198 3.597 -12.600) 20.834 13.654 ( 1.758 0.278 3.138) 3.608 13.679 ( 0.536 0.164 0.325) 0.647 15.578 ( 5.409 0.849 6.926) 8.828 15.767 ( 2.429 -0.976 -13.659) 13.908 17.209 ( 5.064 -1.182 12.901) 13.910 17.397 ( 4.764 -2.719 -7.530) 9.316 ======================= Grid point 572 (178/219) ======================= q-point: (-0.44 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -8.298 5.590 2.149) 10.234 2.449 ( -6.800 2.601 -5.810) 9.314 2.861 ( -4.830 2.656 6.075) 8.203 3.005 ( -4.371 0.481 -9.286) 10.275 3.182 ( -7.231 -3.988 4.832) 9.567 3.210 ( -3.449 -3.741 1.881) 5.425 3.542 ( -1.272 -7.381 2.563) 7.916 3.609 ( -3.200 -3.287 -4.492) 6.420 4.135 ( -9.227 -11.030 -0.128) 14.381 4.158 ( -9.801 -7.401 -2.729) 12.581 4.739 ( 1.328 10.289 7.006) 12.519 4.857 ( -1.569 7.394 -5.473) 9.332 5.016 ( -10.987 -3.558 3.860) 12.177 5.087 ( -10.403 -5.755 -3.122) 12.292 5.573 ( -6.928 6.511 4.788) 10.645 5.669 ( -1.682 5.796 -5.185) 7.956 5.898 ( -24.132 2.517 9.028) 25.888 6.051 ( -24.309 2.579 -7.309) 25.514 7.707 ( 4.332 3.799 3.701) 6.848 7.777 ( 2.802 2.573 -3.657) 5.277 9.613 ( -11.311 -10.222 5.591) 16.238 9.700 ( -13.704 -7.676 -2.489) 15.903 9.810 ( -3.740 -5.393 6.627) 9.327 9.938 ( -3.913 -4.982 -7.691) 9.964 10.322 ( -4.879 -7.350 2.346) 9.128 10.452 ( -4.093 -3.320 -9.522) 10.883 10.854 ( -13.233 -3.403 6.879) 15.297 10.935 ( -13.743 -5.822 -2.001) 15.059 11.272 ( -4.362 -3.982 0.877) 5.971 11.310 ( -3.362 -4.504 -3.261) 6.499 11.886 ( 6.710 2.549 13.583) 15.363 12.136 ( 6.457 4.045 -12.402) 14.556 12.311 ( 7.180 -2.825 13.638) 15.670 12.540 ( 10.203 -2.825 -9.604) 14.294 13.062 ( 3.225 2.956 8.806) 9.833 13.293 ( 4.528 3.142 -13.572) 14.648 13.717 ( 10.036 1.818 6.763) 12.238 13.806 ( 13.958 2.667 -2.979) 14.520 15.691 ( 6.138 -0.617 4.812) 7.824 15.839 ( 4.185 -2.768 -11.450) 12.501 17.341 ( 7.905 -1.457 13.148) 15.411 17.534 ( 7.514 -3.738 -7.755) 11.427 ======================= Grid point 573 (179/219) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -12.629 6.565 4.398) 14.898 2.267 ( -10.456 2.258 -9.309) 14.180 2.717 ( -7.502 8.883 8.528) 14.419 2.864 ( -7.340 6.076 -5.112) 10.813 3.107 ( -6.539 -7.700 0.653) 10.123 3.156 ( -5.502 -6.505 -2.379) 8.845 3.550 ( -5.578 -9.413 4.089) 11.681 3.608 ( 0.079 -12.647 -0.839) 12.675 3.912 ( -18.553 -9.154 -1.066) 20.715 3.950 ( -14.108 -4.927 -4.643) 15.648 4.507 ( -21.543 8.268 6.223) 23.899 4.590 ( -18.286 6.392 -0.467) 19.377 4.845 ( -12.766 3.972 -0.797) 13.393 4.898 ( -8.390 8.620 -5.213) 13.110 5.389 ( -16.257 3.727 7.437) 18.261 5.506 ( -16.440 5.329 -4.491) 17.856 5.616 ( 1.694 -3.569 10.123) 10.867 5.797 ( 5.830 -4.829 -8.646) 11.492 7.770 ( 4.387 3.303 2.332) 5.966 7.815 ( 2.698 2.732 -2.370) 4.513 9.376 ( -16.620 -5.427 5.073) 18.204 9.462 ( -13.396 -2.195 -3.700) 14.070 9.739 ( -6.982 -3.150 6.565) 10.088 9.873 ( -8.100 -6.475 -8.181) 13.208 10.317 ( -1.837 -6.217 8.193) 10.447 10.517 ( 3.972 -7.757 -11.522) 14.446 10.625 ( -11.467 -7.500 3.918) 14.251 10.686 ( -13.761 -8.072 -1.750) 16.049 11.210 ( -4.569 -5.221 2.540) 7.389 11.277 ( -4.589 -9.619 -4.809) 11.692 12.007 ( 7.306 4.480 13.439) 15.939 12.249 ( 7.569 4.843 -11.527) 14.615 12.400 ( 0.059 1.113 14.732) 14.774 12.666 ( -0.281 1.041 -13.444) 13.487 12.992 ( -4.857 -1.664 14.688) 15.560 13.267 ( -3.297 0.357 -13.635) 14.032 14.024 ( 21.106 4.251 6.659) 22.536 14.148 ( 21.950 4.915 -6.503) 23.414 15.814 ( 6.118 -1.570 4.687) 7.865 15.958 ( 5.973 -3.242 -11.121) 13.033 17.528 ( 10.466 -2.180 13.626) 17.319 17.725 ( 9.853 -4.621 -7.791) 13.384 ======================= Grid point 574 (180/219) ======================= q-point: (-0.31 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -14.804 7.217 7.780) 18.214 2.037 ( -12.011 1.264 -13.842) 18.371 2.458 ( -12.640 13.848 12.007) 22.265 2.659 ( -11.143 9.533 -8.315) 16.858 2.919 ( -16.803 -6.555 4.876) 18.684 3.022 ( -15.083 -6.512 -5.607) 17.360 3.501 ( -6.434 -14.307 8.649) 17.914 3.613 ( -15.051 -5.433 2.089) 16.137 3.689 ( -8.415 -15.020 -6.189) 18.295 3.708 ( -9.077 -4.821 -6.553) 12.189 4.013 ( -19.886 8.474 11.227) 24.358 4.170 ( -18.336 4.620 -3.062) 19.155 4.398 ( -29.711 3.275 0.574) 29.896 4.487 ( -24.725 11.495 -9.931) 29.019 5.246 ( -1.952 7.872 2.194) 8.402 5.262 ( 0.361 6.236 0.514) 6.267 5.796 ( 9.389 -7.586 12.566) 17.424 6.007 ( 9.718 -9.548 -9.931) 16.860 7.837 ( 4.349 2.852 0.464) 5.221 7.850 ( 2.757 3.003 -0.785) 4.152 9.073 ( -17.438 -3.213 6.474) 18.876 9.203 ( -14.916 -1.253 -7.243) 16.629 9.586 ( -10.615 -1.869 5.691) 12.188 9.704 ( -12.978 -4.733 -6.870) 15.428 10.189 ( -11.734 -1.385 11.846) 16.731 10.385 ( -14.507 -3.798 -8.042) 17.016 10.607 ( 0.368 -10.077 5.543) 11.507 10.732 ( 4.834 -9.561 -8.387) 13.606 11.176 ( -2.429 -10.176 3.952) 11.183 11.266 ( -2.333 -13.291 -5.807) 14.691 12.072 ( 1.253 6.543 13.449) 15.009 12.256 ( -5.557 5.952 4.950) 9.530 12.388 ( 3.368 3.719 -5.276) 7.281 12.536 ( -6.502 3.255 -10.344) 12.644 12.982 ( -0.103 -2.899 12.882) 13.204 13.229 ( -0.986 -1.466 -12.755) 12.877 14.401 ( 20.042 5.797 6.056) 21.724 14.523 ( 18.993 5.418 -6.621) 20.831 15.953 ( 7.577 -1.776 3.861) 8.687 16.086 ( 5.450 -1.949 -10.770) 12.227 17.763 ( 12.334 -3.318 14.160) 19.069 17.959 ( 11.404 -5.337 -7.235) 14.521 ======================= Grid point 575 (181/219) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -13.335 7.824 12.656) 19.980 1.812 ( -10.374 0.670 -18.600) 21.308 2.052 ( -23.051 11.829 11.085) 28.181 2.228 ( -28.619 5.967 -7.845) 30.269 2.653 ( -13.751 4.566 5.052) 15.345 2.697 ( -12.881 1.845 -0.829) 13.039 3.244 ( -21.926 -1.223 3.968) 22.316 3.252 ( -25.108 4.003 2.377) 25.536 3.559 ( -0.536 -7.984 5.500) 9.709 3.673 ( -13.661 -6.049 -3.493) 15.343 3.691 ( -22.858 4.966 7.073) 24.438 3.871 ( -12.846 -4.948 -8.576) 16.219 3.955 ( -7.302 -10.343 -0.507) 12.671 4.093 ( -4.834 -2.212 -13.136) 14.171 5.196 ( 1.996 10.988 6.461) 12.902 5.277 ( 3.568 8.688 -2.920) 9.836 6.018 ( 8.239 -8.780 13.688) 18.230 6.244 ( 8.229 -11.227 -10.583) 17.486 7.872 ( 2.131 4.639 1.338) 5.277 7.906 ( 3.980 3.672 -2.206) 5.847 8.745 ( -18.877 -3.475 7.125) 20.474 8.895 ( -18.640 -1.874 -8.853) 20.720 9.338 ( -17.221 -2.044 4.339) 17.876 9.417 ( -19.186 -2.405 -3.724) 19.692 9.962 ( -11.072 5.220 8.316) 14.799 10.096 ( -13.985 6.350 -5.788) 16.414 10.677 ( 1.401 -13.978 8.343) 16.338 10.845 ( 1.687 -12.731 -9.400) 15.915 11.259 ( 3.022 -12.329 4.875) 13.598 11.357 ( 1.734 -14.620 -5.631) 15.763 12.006 ( 0.264 6.979 6.540) 9.568 12.128 ( -4.309 4.890 -1.417) 6.670 12.353 ( -0.813 5.298 3.685) 6.505 12.527 ( 3.840 3.834 -10.238) 11.587 12.964 ( -3.249 -0.722 11.550) 12.020 13.205 ( -3.515 -0.698 -13.749) 14.209 14.691 ( 13.546 6.914 4.772) 15.940 14.779 ( 11.044 6.376 -4.310) 13.461 16.118 ( 8.434 -0.605 -0.184) 8.458 16.179 ( 3.491 0.030 -7.179) 7.983 18.035 ( 13.148 -5.816 14.397) 20.347 18.217 ( 11.685 -6.573 -5.801) 14.608 ======================= Grid point 576 (182/219) ======================= q-point: (-0.19 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -7.577 8.067 18.604) 21.647 1.450 ( -29.824 11.121 9.059) 33.094 1.596 ( -25.574 7.208 -9.306) 28.153 1.664 ( -8.832 0.744 -20.791) 22.602 2.373 ( -4.863 19.997 18.561) 27.714 2.560 ( -3.086 2.129 -3.433) 5.084 2.765 ( -19.585 5.032 5.116) 20.859 2.887 ( -14.303 2.387 -3.775) 14.984 3.240 ( -17.660 1.729 0.539) 17.753 3.255 ( -19.614 1.110 -0.224) 19.646 3.635 ( 1.732 -7.145 4.323) 8.529 3.846 ( 1.599 -4.958 -16.542) 17.343 4.030 ( 1.982 -18.801 6.087) 19.862 4.161 ( 1.210 -19.146 -8.092) 20.821 5.170 ( 1.927 11.972 8.042) 14.550 5.280 ( 2.305 10.514 -4.521) 11.674 6.198 ( 5.203 -8.177 14.511) 17.450 6.436 ( 4.893 -10.701 -11.101) 16.177 7.864 ( -0.052 7.366 2.463) 7.767 7.921 ( -0.449 6.189 -3.245) 7.002 8.387 ( -19.636 0.859 4.417) 20.145 8.489 ( -22.224 2.104 -5.843) 23.076 8.964 ( -17.762 1.392 5.825) 18.745 9.061 ( -15.869 0.899 -4.265) 16.456 9.724 ( -5.905 15.352 5.089) 17.218 9.856 ( -6.057 8.690 -8.264) 13.435 10.857 ( 6.512 -19.139 8.460) 21.916 11.018 ( 7.853 -17.036 -8.472) 20.584 11.353 ( -2.385 -13.353 3.271) 13.953 11.415 ( -5.274 -14.800 -3.860) 16.179 12.083 ( 10.452 5.941 -0.392) 12.029 12.097 ( 5.670 6.219 -0.954) 8.470 12.323 ( -0.326 3.584 11.541) 12.090 12.557 ( 1.559 4.609 -12.118) 13.058 12.864 ( -6.797 0.996 8.946) 11.279 13.076 ( -9.053 2.847 -13.899) 16.830 14.827 ( 5.085 7.265 3.204) 9.429 14.880 ( 4.464 8.094 -2.422) 9.556 16.216 ( 1.444 2.237 -0.989) 2.841 16.259 ( 5.551 1.130 -4.601) 7.298 18.320 ( 10.752 -10.785 12.966) 20.001 18.465 ( 8.933 -8.526 -3.463) 12.825 ======================= Grid point 577 (183/219) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 15.010 12.682) 19.650 1.144 ( -0.000 5.684 23.885) 24.552 1.226 ( -0.000 9.175 -10.538) 13.972 1.597 ( -0.000 1.074 -23.736) 23.760 2.201 ( -0.000 27.396 32.648) 42.619 2.528 ( 0.000 -0.974 1.278) 1.607 2.552 ( 0.000 -0.618 -1.267) 1.409 2.712 ( -0.000 6.373 -19.839) 20.838 3.046 ( -0.000 0.507 0.620) 0.801 3.057 ( -0.000 0.914 -0.560) 1.072 3.707 ( 0.000 -8.796 7.278) 11.416 3.908 ( 0.000 -6.561 -11.806) 13.507 4.185 ( 0.000 -22.878 4.690) 23.354 4.296 ( 0.000 -21.364 -8.045) 22.828 5.123 ( -0.000 11.624 8.450) 14.371 5.240 ( -0.000 11.429 -4.907) 12.438 6.296 ( 0.000 -6.386 14.882) 16.195 6.543 ( 0.000 -8.673 -11.643) 14.518 7.759 ( -0.000 8.729 4.763) 9.944 7.860 ( -0.000 9.139 -6.024) 10.946 8.069 ( -0.000 12.740 8.608) 15.375 8.234 ( -0.000 10.929 -9.191) 14.280 8.779 ( -0.000 0.773 6.721) 6.766 8.894 ( -0.000 0.968 -5.469) 5.555 9.578 ( -0.000 15.488 6.079) 16.638 9.755 ( -0.000 7.440 -11.637) 13.812 11.065 ( 0.000 -19.824 10.645) 22.501 11.272 ( 0.000 -18.971 -11.818) 22.351 11.363 ( 0.000 -12.058 1.187) 12.116 11.386 ( 0.000 -11.887 -1.263) 11.954 12.181 ( -0.000 4.943 1.174) 5.081 12.203 ( -0.000 4.922 -1.098) 5.043 12.294 ( -0.000 0.619 13.016) 13.030 12.536 ( -0.000 5.449 -13.245) 14.322 12.757 ( -0.000 1.811 6.766) 7.005 12.918 ( -0.000 6.681 -10.547) 12.485 14.827 ( -0.000 6.885 2.624) 7.368 14.872 ( -0.000 8.608 -2.179) 8.879 16.211 ( -0.000 3.317 3.014) 4.482 16.304 ( -0.000 2.224 -6.267) 6.650 18.512 ( 0.000 -14.158 9.698) 17.161 18.617 ( 0.000 -9.773 -1.883) 9.953 ======================= Grid point 582 (184/219) ======================= q-point: ( 0.19 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 6.194 -0.000 5.471) 8.265 2.505 ( 4.173 -0.000 -5.830) 7.169 2.974 ( 9.952 -0.000 1.682) 10.093 3.034 ( 11.648 -0.000 -3.944) 12.298 3.343 ( -3.444 0.000 -2.205) 4.089 3.359 ( -4.077 0.000 -3.433) 5.330 3.905 ( -3.401 0.000 7.042) 7.820 3.978 ( -3.131 0.000 3.763) 4.895 4.119 ( 1.215 -0.000 -2.298) 2.599 4.185 ( 0.877 -0.000 -4.670) 4.752 4.869 ( 0.936 -0.000 5.824) 5.898 4.938 ( 12.415 -0.000 -2.710) 12.708 4.998 ( -2.950 0.000 5.131) 5.918 5.111 ( -15.067 0.000 -6.002) 16.218 5.709 ( 21.682 -0.000 1.789) 21.756 5.749 ( 20.231 -0.000 -2.504) 20.386 6.159 ( 17.577 -0.000 8.259) 19.421 6.308 ( 19.386 -0.000 -7.365) 20.738 7.490 ( -2.912 0.000 8.059) 8.569 7.643 ( -1.465 0.000 -8.008) 8.141 9.975 ( 13.599 -0.000 4.482) 14.319 10.012 ( 8.989 -0.000 -0.299) 8.994 10.295 ( -4.002 0.000 1.454) 4.258 10.346 ( 3.302 -0.000 -3.076) 4.513 10.653 ( 6.523 -0.000 7.204) 9.718 10.776 ( 7.631 -0.000 -6.996) 10.353 11.124 ( -12.802 0.000 -1.376) 12.876 11.130 ( -13.207 0.000 -2.327) 13.410 11.409 ( 14.223 -0.000 6.351) 15.577 11.582 ( 17.403 -0.000 -9.861) 20.002 11.824 ( 1.474 -0.000 9.517) 9.630 11.977 ( 1.256 -0.000 -6.767) 6.883 12.394 ( -2.364 0.000 16.162) 16.334 12.433 ( -21.065 0.000 11.092) 23.807 12.659 ( -27.334 0.000 -10.677) 29.346 12.707 ( -8.440 0.000 -15.867) 17.972 13.636 ( -0.226 0.000 3.012) 3.020 13.659 ( 2.661 -0.000 0.151) 2.665 15.610 ( -4.079 0.000 7.316) 8.376 15.806 ( -4.058 0.000 -14.060) 14.634 17.251 ( -7.277 0.000 15.785) 17.382 17.491 ( -8.064 0.000 -10.290) 13.073 ======================= Grid point 583 (185/219) ======================= q-point: ( 0.25 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 4.248 -0.315 4.036) 5.868 2.573 ( 2.950 -0.200 -4.344) 5.255 3.109 ( 4.201 2.754 5.764) 7.646 3.216 ( 6.673 -0.426 -4.038) 7.811 3.257 ( -4.103 3.688 -2.819) 6.195 3.312 ( -1.366 -4.721 -6.086) 7.822 3.849 ( -1.472 0.333 6.141) 6.324 3.919 ( -2.077 1.546 0.579) 2.653 4.124 ( -1.429 0.556 1.472) 2.126 4.193 ( -2.930 -2.748 -4.084) 5.728 4.678 ( -8.251 1.493 7.532) 11.271 4.798 ( -10.308 4.183 -5.367) 12.352 5.147 ( 5.950 -4.761 0.576) 7.642 5.168 ( 6.918 -2.883 -1.773) 7.702 6.027 ( 12.228 3.002 1.808) 12.720 6.060 ( 12.441 1.834 -1.856) 12.711 6.455 ( 12.065 -1.510 8.701) 14.952 6.615 ( 11.595 -1.798 -8.044) 14.226 7.469 ( 0.748 -0.409 8.928) 8.969 7.636 ( 0.641 -0.236 -8.575) 8.602 10.016 ( -7.242 1.706 1.712) 7.635 10.077 ( -7.869 1.311 -4.419) 9.120 10.328 ( 13.435 0.963 10.097) 16.834 10.453 ( 8.254 -0.437 -1.113) 8.340 10.718 ( -12.066 -0.222 3.650) 12.608 10.790 ( -2.665 -0.748 -1.768) 3.285 10.913 ( -1.021 0.259 -0.106) 1.058 11.039 ( 2.905 0.690 -10.146) 10.576 11.594 ( 2.644 1.172 8.317) 8.806 11.739 ( -2.988 1.087 -4.065) 5.161 11.917 ( 0.994 5.234 5.255) 7.483 12.007 ( 2.543 -1.400 -3.278) 4.378 12.090 ( -3.172 -0.268 3.452) 4.696 12.167 ( -17.088 -2.730 -1.548) 17.374 12.401 ( -0.859 -0.987 5.107) 5.272 12.571 ( -7.235 -1.815 -11.221) 13.474 13.637 ( 0.133 0.551 4.203) 4.241 13.695 ( 0.952 -0.168 -2.160) 2.367 15.551 ( -1.853 0.982 7.350) 7.643 15.746 ( -2.074 0.209 -13.891) 14.047 17.138 ( -4.359 -0.292 14.727) 15.362 17.360 ( -5.445 -0.106 -9.317) 10.792 ======================= Grid point 584 (186/219) ======================= q-point: ( 0.31 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 2.475 0.216 3.183) 4.038 2.619 ( 1.797 0.093 -3.100) 3.584 3.103 ( -1.614 3.477 5.516) 6.717 3.160 ( -3.692 3.283 -1.441) 5.146 3.294 ( 1.152 -2.742 -3.166) 4.344 3.347 ( 0.839 -2.308 -6.653) 7.092 3.845 ( -0.815 -1.497 5.906) 6.147 3.882 ( -1.694 -1.357 2.856) 3.587 4.039 ( -6.600 2.127 -1.194) 7.036 4.073 ( -7.823 -1.013 -5.058) 9.371 4.620 ( 2.047 0.846 5.424) 5.859 4.698 ( 1.664 2.191 -3.115) 4.157 5.231 ( -0.137 -4.831 0.797) 4.898 5.257 ( 0.414 -3.396 -2.020) 3.973 6.146 ( 3.006 5.393 3.179) 6.945 6.197 ( 3.429 3.736 -2.432) 5.625 6.614 ( 3.164 -1.379 7.579) 8.328 6.758 ( 1.770 -2.918 -7.415) 8.163 7.519 ( 4.044 0.254 7.850) 8.834 7.665 ( 2.207 0.163 -7.486) 7.806 9.824 ( -10.099 1.614 1.690) 10.366 9.863 ( -11.340 0.511 -1.961) 11.520 10.436 ( -12.089 -0.789 3.662) 12.656 10.482 ( -14.687 -4.984 -0.441) 15.516 10.612 ( 11.580 1.217 6.903) 13.536 10.677 ( 1.421 -2.119 -0.130) 2.555 11.057 ( 4.685 2.509 -3.862) 6.570 11.085 ( 5.495 0.294 -5.475) 7.762 11.510 ( -6.008 0.711 1.970) 6.363 11.581 ( -10.171 1.156 -3.954) 10.974 11.763 ( -7.400 -1.054 6.574) 9.955 11.841 ( -10.728 -0.496 -2.052) 10.933 12.185 ( 11.093 4.026 8.523) 14.557 12.317 ( 8.228 5.206 -5.460) 11.163 12.442 ( 1.130 -5.063 -1.771) 5.482 12.468 ( 2.452 -5.216 -4.109) 7.078 13.634 ( 0.403 1.715 4.389) 4.729 13.702 ( -0.302 -0.363 -2.708) 2.749 15.527 ( 0.379 2.462 7.437) 7.843 15.724 ( -0.148 0.319 -13.971) 13.976 17.093 ( -0.790 -0.985 13.546) 13.604 17.292 ( -1.845 -0.880 -8.162) 8.414 ======================= Grid point 585 (187/219) ======================= q-point: (-0.62 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.452 1.622 2.316) 2.863 2.635 ( 0.166 1.716 -2.895) 3.369 3.040 ( -3.333 1.069 5.248) 6.308 3.084 ( -2.823 1.032 -0.352) 3.027 3.293 ( -2.516 -0.551 -2.310) 3.460 3.334 ( -3.649 -3.414 -5.124) 7.157 3.745 ( -7.542 1.283 4.577) 8.915 3.822 ( -8.836 2.066 -2.730) 9.476 3.941 ( 1.541 -6.978 5.067) 8.760 4.054 ( 1.723 -3.646 -7.346) 8.381 4.698 ( 6.359 3.264 5.906) 9.272 4.780 ( 6.903 2.333 -3.101) 7.919 5.203 ( -5.625 -5.492 1.003) 7.925 5.231 ( -5.119 -4.295 -1.869) 6.938 6.091 ( -4.812 6.714 3.470) 8.960 6.149 ( -5.389 5.677 -2.790) 8.310 6.581 ( -7.053 -0.075 7.065) 9.983 6.714 ( -7.991 -2.444 -6.728) 10.728 7.603 ( 4.915 1.598 5.709) 7.701 7.711 ( 2.740 0.883 -5.553) 6.255 9.646 ( -7.994 -2.372 2.964) 8.850 9.686 ( -7.730 -4.414 -0.954) 8.953 10.175 ( -15.727 -5.117 1.688) 16.625 10.233 ( -12.717 -3.753 -4.819) 14.108 10.581 ( -7.253 0.890 9.761) 12.193 10.799 ( -1.307 0.010 -11.795) 11.867 11.044 ( 1.440 1.776 11.123) 11.356 11.182 ( 1.651 3.057 0.040) 3.474 11.387 ( -9.305 -1.455 -1.968) 9.622 11.436 ( -5.862 -2.617 -5.378) 8.375 11.692 ( -0.180 -2.106 5.821) 6.193 11.791 ( 6.934 -3.032 -5.910) 9.602 12.233 ( -2.983 4.370 3.674) 6.441 12.312 ( -0.492 3.323 -4.123) 5.319 12.575 ( 14.053 -2.730 10.204) 17.580 12.774 ( 18.042 -1.683 -10.609) 20.998 13.638 ( 1.066 1.609 3.788) 4.251 13.691 ( -1.069 -0.504 -1.766) 2.125 15.539 ( 2.519 2.851 7.170) 8.117 15.731 ( 0.928 0.079 -13.758) 13.789 17.116 ( 2.483 -1.192 12.561) 12.859 17.298 ( 1.583 -1.663 -7.233) 7.589 ======================= Grid point 586 (188/219) ======================= q-point: (-0.56 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -2.188 3.405 1.182) 4.216 2.597 ( -2.522 4.155 -3.016) 5.720 2.963 ( -4.435 -0.014 5.180) 6.819 3.036 ( -3.003 -2.219 -1.510) 4.028 3.210 ( -5.786 -1.804 0.448) 6.077 3.271 ( -5.550 -5.560 -4.061) 8.844 3.584 ( -6.898 2.556 5.595) 9.243 3.689 ( -4.093 2.817 -5.096) 7.117 4.016 ( -0.363 -10.713 3.957) 11.427 4.114 ( 0.232 -6.146 -6.865) 9.217 4.797 ( 6.302 6.129 6.845) 11.142 4.900 ( 6.760 4.447 -4.267) 9.148 5.094 ( -8.866 -6.493 2.056) 11.180 5.132 ( -7.471 -5.697 -1.721) 9.551 5.900 ( -10.418 7.136 2.298) 12.835 5.945 ( -10.910 7.139 -2.266) 13.234 6.346 ( -16.979 1.521 7.328) 18.555 6.480 ( -17.255 -0.583 -6.715) 18.525 7.682 ( 4.591 2.673 4.051) 6.681 7.758 ( 2.984 1.520 -3.968) 5.193 9.554 ( -5.481 -8.758 4.734) 11.364 9.621 ( -3.451 -9.033 -1.565) 9.795 9.920 ( -13.878 -5.710 3.801) 15.481 10.036 ( -9.557 -2.089 -8.297) 12.827 10.404 ( -9.989 -0.790 9.189) 13.595 10.628 ( -11.812 1.546 -13.038) 17.660 11.037 ( -5.546 0.212 5.867) 8.076 11.095 ( -9.236 0.765 -0.165) 9.269 11.262 ( -5.179 -5.117 3.293) 7.990 11.339 ( -4.766 -3.294 -3.409) 6.722 11.778 ( 6.853 -0.821 12.078) 13.911 12.019 ( 11.077 -1.359 -13.023) 17.151 12.178 ( 1.251 0.999 8.533) 8.682 12.333 ( 5.636 1.307 -7.675) 9.612 12.890 ( 16.578 0.992 11.058) 19.952 13.122 ( 17.096 1.444 -12.998) 21.525 13.656 ( 0.903 0.194 2.996) 3.135 13.680 ( 1.553 0.015 0.414) 1.607 15.592 ( 4.423 1.523 5.602) 7.298 15.755 ( 1.358 -1.043 -12.184) 12.303 17.197 ( 5.250 -0.913 11.844) 12.988 17.367 ( 4.366 -2.353 -6.672) 8.314 ======================= Grid point 587 (189/219) ======================= q-point: (-0.50 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -6.872 6.403 0.889) 9.434 2.490 ( -5.982 4.728 -3.950) 8.587 2.876 ( -4.621 -0.289 4.750) 6.633 2.982 ( -4.162 -3.780 -6.167) 8.346 3.126 ( -5.582 -5.268 4.404) 8.849 3.186 ( -5.264 -1.914 -0.629) 5.637 3.482 ( -3.466 -2.145 5.459) 6.812 3.595 ( -5.574 0.638 -5.896) 8.139 4.004 ( -8.502 -10.906 2.554) 14.062 4.086 ( -7.354 -5.270 -6.519) 11.151 4.842 ( 0.812 6.204 5.693) 8.460 4.891 ( -10.628 -1.282 0.440) 10.714 5.012 ( 1.170 2.282 -0.794) 2.684 5.028 ( -5.983 -3.117 -2.214) 7.100 5.642 ( -10.348 5.413 4.393) 12.477 5.731 ( -5.803 4.582 -4.578) 8.696 5.928 ( -24.619 2.701 8.215) 26.094 6.074 ( -24.062 1.383 -7.129) 25.134 7.748 ( 4.199 3.245 3.037) 6.114 7.806 ( 3.038 2.249 -2.960) 4.801 9.489 ( -8.945 -10.426 6.035) 15.004 9.596 ( -8.450 -9.502 -4.483) 13.483 9.752 ( -4.450 -4.763 7.250) 9.749 9.902 ( -5.530 -2.034 -8.347) 10.217 10.249 ( -6.817 -4.950 5.815) 10.236 10.428 ( -6.773 -0.862 -11.186) 13.105 10.822 ( -15.021 -2.160 4.893) 15.945 10.876 ( -14.910 -4.366 -1.503) 15.608 11.211 ( -4.300 -5.675 1.959) 7.385 11.270 ( -4.901 -2.802 -3.578) 6.684 11.914 ( 7.780 2.168 14.502) 16.599 12.174 ( 6.907 2.403 -12.382) 14.380 12.286 ( 8.068 -1.377 13.546) 15.826 12.515 ( 10.963 -1.446 -9.957) 14.880 13.093 ( 2.267 2.334 8.899) 9.476 13.323 ( 2.943 2.032 -13.441) 13.909 13.736 ( 11.718 1.423 7.081) 13.765 13.833 ( 15.784 1.938 -3.607) 16.306 15.685 ( 5.316 -0.399 3.428) 6.338 15.804 ( 2.896 -3.186 -9.688) 10.601 17.328 ( 7.853 -0.851 11.457) 13.916 17.492 ( 6.987 -3.328 -6.399) 10.042 ======================= Grid point 588 (190/219) ======================= q-point: (-0.44 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -11.292 8.421 2.036) 14.232 2.309 ( -9.810 5.051 -6.835) 12.979 2.785 ( -4.852 2.327 6.030) 8.082 2.915 ( -4.989 1.338 -6.620) 8.397 3.025 ( -7.180 -4.679 5.779) 10.337 3.107 ( -5.460 -2.654 -1.468) 6.246 3.446 ( -11.693 -7.573 1.088) 13.974 3.467 ( -2.731 -11.202 -0.321) 11.535 3.810 ( -16.241 -7.701 2.475) 18.143 3.912 ( -11.869 -2.058 -8.289) 14.623 4.567 ( -21.692 2.338 5.339) 22.461 4.653 ( -17.936 3.831 -2.426) 18.500 4.899 ( -8.547 6.059 4.186) 11.282 5.007 ( -3.540 9.246 -6.385) 11.781 5.423 ( -18.261 2.244 8.524) 20.277 5.552 ( -9.206 1.328 -0.171) 9.302 5.582 ( -9.424 -0.898 3.718) 10.171 5.744 ( 1.452 -4.143 -8.314) 9.402 7.808 ( 4.040 3.205 2.057) 5.552 7.847 ( 2.843 2.820 -2.066) 4.506 9.306 ( -14.407 -6.233 6.413) 16.956 9.421 ( -12.477 -4.683 -5.269) 14.331 9.713 ( -4.721 -1.731 5.220) 7.248 9.818 ( -6.273 -2.913 -6.236) 9.313 10.234 ( 0.709 -7.858 7.549) 10.919 10.430 ( 3.345 -7.075 -11.935) 14.272 10.545 ( -14.823 -6.152 4.353) 16.629 10.596 ( -16.121 -7.052 -1.432) 17.654 11.150 ( -5.534 -6.054 0.259) 8.206 11.181 ( -6.794 -5.924 -2.971) 9.491 12.055 ( 8.145 3.712 13.891) 16.525 12.296 ( 7.523 3.269 -10.718) 13.496 12.412 ( 2.850 0.883 14.726) 15.025 12.677 ( 2.777 0.758 -13.028) 13.342 12.985 ( -7.455 0.272 14.422) 16.237 13.272 ( -4.669 0.453 -14.741) 15.470 14.073 ( 22.285 4.075 7.001) 23.712 14.202 ( 22.496 4.375 -6.776) 23.898 15.792 ( 5.362 -1.999 3.559) 6.739 15.912 ( 5.738 -4.506 -9.465) 11.951 17.507 ( 10.172 -1.391 11.658) 15.534 17.672 ( 9.387 -4.417 -6.263) 12.118 ======================= Grid point 589 (191/219) ======================= q-point: (-0.38 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -13.082 10.237 3.954) 17.075 2.073 ( -11.342 4.883 -10.632) 16.295 2.601 ( -12.600 10.101 8.965) 18.471 2.757 ( -10.843 7.022 -5.456) 14.023 2.854 ( -14.712 -4.679 4.706) 16.140 2.962 ( -10.694 -3.601 -5.220) 12.432 3.315 ( -7.924 -16.515 7.992) 19.985 3.471 ( -8.416 -18.690 -8.249) 22.095 3.562 ( -10.091 -4.987 4.899) 12.276 3.674 ( -14.281 -2.218 -7.382) 16.229 4.106 ( -21.141 6.344 8.518) 23.659 4.227 ( -21.517 4.803 -3.300) 22.293 4.466 ( -29.811 8.546 5.708) 31.533 4.632 ( -22.980 13.107 -11.365) 28.793 5.309 ( 2.885 2.872 2.778) 4.928 5.334 ( -1.958 6.105 0.795) 6.460 5.698 ( 6.965 -9.320 10.801) 15.876 5.891 ( 7.201 -10.096 -9.537) 15.644 7.870 ( 4.376 2.801 0.590) 5.229 7.885 ( 2.976 2.988 -0.883) 4.309 9.035 ( -16.540 -3.136 7.401) 18.390 9.180 ( -15.023 -2.590 -7.815) 17.131 9.580 ( -9.464 0.768 4.340) 10.440 9.670 ( -10.626 -0.936 -5.303) 11.912 10.170 ( -10.787 -2.040 10.214) 14.995 10.322 ( -12.671 -6.680 -5.288) 15.269 10.481 ( 0.901 -11.802 4.949) 12.830 10.611 ( 4.023 -11.362 -9.082) 15.092 11.077 ( -4.660 -6.773 0.902) 8.270 11.119 ( -3.730 -11.812 -3.624) 12.906 12.143 ( 2.411 5.678 13.699) 15.024 12.329 ( -5.653 6.397 7.447) 11.329 12.426 ( 4.581 2.804 -6.269) 8.255 12.570 ( -6.810 2.617 -8.286) 11.040 12.957 ( 1.302 -1.461 11.586) 11.750 13.212 ( -1.498 -1.449 -14.197) 14.349 14.469 ( 20.927 5.895 5.772) 22.494 14.585 ( 19.336 5.279 -6.287) 21.006 15.928 ( 7.543 -2.606 3.495) 8.712 16.053 ( 5.928 -3.723 -10.047) 12.245 17.729 ( 11.629 -2.533 12.314) 17.126 17.896 ( 10.797 -5.400 -5.920) 13.445 ======================= Grid point 590 (192/219) ======================= q-point: (-0.31 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -11.245 12.188 6.918) 17.968 1.841 ( -9.505 4.327 -15.000) 18.278 2.173 ( -25.517 9.073 7.061) 27.987 2.286 ( -29.721 4.030 -4.967) 30.401 2.696 ( -5.541 3.315 4.870) 8.088 2.742 ( -10.283 5.004 -0.924) 11.473 3.183 ( -17.388 -8.193 5.800) 20.078 3.279 ( -19.799 -1.867 -3.685) 20.225 3.435 ( -3.718 -11.524 4.775) 13.016 3.554 ( -5.635 -13.776 -6.885) 16.399 3.771 ( -26.114 3.249 4.207) 26.649 3.793 ( -16.302 -3.813 1.980) 16.859 3.874 ( -14.924 2.784 8.827) 17.561 4.201 ( -10.074 14.976 -20.808) 27.545 5.311 ( 2.439 8.743 5.294) 10.508 5.360 ( 4.041 5.529 -0.792) 6.894 5.899 ( 6.946 -11.717 11.509) 17.832 6.099 ( 6.800 -13.484 -9.799) 18.002 7.923 ( 3.399 4.036 0.811) 5.338 7.947 ( 5.011 3.279 -1.650) 6.212 8.713 ( -18.394 -1.954 8.030) 20.165 8.872 ( -18.461 -1.894 -8.914) 20.588 9.328 ( -16.666 0.361 4.166) 17.183 9.406 ( -16.771 0.654 -4.107) 17.279 10.003 ( -6.126 1.937 8.789) 10.887 10.148 ( -8.420 1.709 -6.497) 10.772 10.525 ( -2.002 -11.675 8.287) 14.457 10.691 ( -1.441 -13.658 -9.353) 16.616 11.114 ( 1.821 -12.151 3.293) 12.721 11.185 ( 0.773 -14.641 -4.101) 15.224 12.090 ( -0.019 7.346 7.269) 10.335 12.189 ( -3.839 5.491 2.392) 7.114 12.413 ( -0.772 4.978 1.750) 5.333 12.565 ( 4.123 2.698 -8.284) 9.638 12.961 ( -1.844 0.189 9.787) 9.961 13.195 ( -2.342 -0.994 -14.159) 14.386 14.773 ( 14.079 7.050 4.498) 16.376 14.853 ( 11.916 6.273 -3.788) 13.989 16.105 ( 9.132 -1.698 -0.342) 9.295 16.168 ( 4.222 -1.813 -7.436) 8.741 17.973 ( 11.460 -4.681 13.062) 17.996 18.139 ( 10.542 -6.790 -5.109) 13.541 ======================= Grid point 591 (193/219) ======================= q-point: (-0.25 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -5.935 13.489 11.017) 18.400 1.582 ( -26.667 11.452 5.994) 29.635 1.679 ( -5.919 4.805 -18.593) 20.096 1.690 ( -25.442 6.226 -6.159) 26.907 2.543 ( -3.962 8.370 5.514) 10.778 2.590 ( -4.441 3.125 -0.355) 5.442 2.872 ( -16.740 12.108 7.106) 21.848 2.899 ( -11.720 0.157 5.323) 12.874 3.262 ( -19.383 0.716 1.776) 19.477 3.265 ( -18.560 2.089 0.611) 18.687 3.518 ( 0.147 -13.419 5.536) 14.516 3.712 ( -0.530 -17.813 -11.080) 20.984 3.863 ( 0.668 -11.548 3.586) 12.111 4.057 ( -0.848 4.184 -16.216) 16.768 5.300 ( 1.838 10.267 7.139) 12.639 5.385 ( 2.391 7.596 -2.862) 8.462 6.081 ( 4.483 -12.051 12.418) 17.875 6.290 ( 4.260 -14.407 -9.987) 18.040 7.953 ( 2.190 7.617 2.023) 8.179 8.003 ( 2.940 7.332 -2.840) 8.394 8.386 ( -14.620 -0.621 5.787) 15.736 8.505 ( -18.957 0.653 -6.464) 20.039 8.979 ( -16.495 1.463 5.838) 17.559 9.076 ( -14.748 1.769 -4.450) 15.506 9.882 ( -3.188 10.584 4.254) 11.844 9.970 ( -5.029 10.954 -4.780) 12.966 10.635 ( 4.257 -18.155 8.794) 20.617 10.812 ( 5.378 -17.971 -9.854) 21.189 11.189 ( -3.355 -14.545 2.505) 15.136 11.235 ( -5.168 -15.897 -2.632) 16.922 12.145 ( 8.122 4.965 2.302) 9.794 12.169 ( 6.099 6.053 -0.104) 8.593 12.371 ( -1.340 4.482 10.697) 11.675 12.607 ( 1.945 3.878 -10.798) 11.637 12.881 ( -5.441 1.980 7.752) 9.676 13.106 ( -6.306 2.360 -15.573) 16.966 14.914 ( 5.253 7.454 4.018) 9.965 14.976 ( 5.600 8.239 -2.713) 10.325 16.232 ( 1.976 0.358 -1.970) 2.813 16.266 ( 6.365 -0.028 -5.054) 8.128 18.207 ( 8.302 -8.545 13.362) 17.902 18.362 ( 7.456 -8.942 -3.909) 12.282 ======================= Grid point 592 (194/219) ======================= q-point: (-0.19 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.000 15.970 8.529) 18.105 1.253 ( -0.000 12.718 15.536) 20.078 1.341 ( -0.000 10.425 -7.501) 12.843 1.617 ( -0.000 2.643 -22.292) 22.448 2.515 ( 0.000 -1.184 1.458) 1.879 2.534 ( -0.000 28.867 22.369) 36.520 2.544 ( 0.000 -0.716 -1.593) 1.746 2.778 ( -0.000 4.516 -1.653) 4.809 3.053 ( -0.000 0.690 0.887) 1.124 3.069 ( -0.000 1.063 -0.774) 1.314 3.597 ( 0.000 -11.394 5.015) 12.449 3.809 ( 0.000 -13.574 -15.527) 20.623 3.953 ( 0.000 -15.294 3.380) 15.663 4.080 ( 0.000 -11.687 -9.399) 14.998 5.257 ( -0.000 11.095 7.901) 13.621 5.360 ( -0.000 9.157 -4.036) 10.007 6.195 ( 0.000 -10.961 13.277) 17.217 6.415 ( 0.000 -13.311 -10.381) 16.881 7.878 ( -0.000 11.625 4.938) 12.630 7.984 ( -0.000 12.069 -6.439) 13.679 8.186 ( -0.000 6.587 6.866) 9.515 8.313 ( -0.000 2.796 -6.408) 6.991 8.793 ( -0.000 1.590 6.994) 7.172 8.910 ( -0.000 1.788 -5.501) 5.785 9.769 ( -0.000 16.115 2.731) 16.344 9.859 ( -0.000 10.464 -6.093) 12.109 10.819 ( 0.000 -21.448 10.473) 23.868 11.032 ( 0.000 -21.564 -12.478) 24.914 11.208 ( 0.000 -14.462 1.310) 14.521 11.233 ( 0.000 -14.248 -1.373) 14.313 12.237 ( -0.000 4.458 1.163) 4.607 12.258 ( -0.000 4.466 -1.101) 4.600 12.310 ( -0.000 2.250 15.686) 15.847 12.597 ( -0.000 4.951 -13.220) 14.117 12.787 ( -0.000 3.226 6.527) 7.281 12.993 ( -0.000 6.005 -14.867) 16.034 14.914 ( -0.000 7.779 3.965) 8.731 14.977 ( -0.000 9.277 -2.920) 9.726 16.243 ( -0.000 1.887 1.503) 2.413 16.326 ( -0.000 1.324 -6.793) 6.921 18.356 ( 0.000 -12.183 12.773) 17.651 18.498 ( 0.000 -10.480 -3.030) 10.909 ======================= Grid point 599 (195/219) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 2.842 -0.000 3.454) 4.473 2.619 ( 1.954 -0.000 -2.801) 3.415 3.126 ( -3.163 0.000 6.814) 7.513 3.192 ( -3.378 0.000 -2.713) 4.332 3.260 ( 0.010 -0.000 -2.462) 2.462 3.337 ( 2.752 -0.000 -8.168) 8.619 3.835 ( 0.143 -0.000 5.550) 5.551 3.874 ( -3.737 0.000 3.194) 4.916 4.056 ( -4.322 0.000 -3.618) 5.637 4.064 ( -10.077 0.000 -2.482) 10.378 4.624 ( 2.297 -0.000 6.082) 6.501 4.712 ( 0.989 -0.000 -3.470) 3.608 5.202 ( 0.392 -0.000 1.127) 1.193 5.236 ( 0.671 -0.000 -2.688) 2.770 6.181 ( 2.980 -0.000 2.962) 4.201 6.218 ( 3.414 -0.000 -1.386) 3.684 6.606 ( 3.721 -0.000 6.615) 7.590 6.739 ( 1.863 -0.000 -7.083) 7.324 7.520 ( 4.375 -0.000 7.806) 8.948 7.666 ( 2.391 -0.000 -7.467) 7.841 9.834 ( -10.682 0.000 1.272) 10.757 9.866 ( -12.692 0.000 -1.856) 12.827 10.434 ( -14.145 0.000 3.895) 14.671 10.448 ( -13.804 0.000 0.685) 13.821 10.623 ( 14.778 -0.000 5.761) 15.861 10.661 ( -0.655 0.000 -0.336) 0.736 11.073 ( -0.539 0.000 -5.141) 5.170 11.085 ( 10.622 -0.000 -4.337) 11.473 11.515 ( -7.007 0.000 2.581) 7.467 11.588 ( -10.444 0.000 -3.562) 11.035 11.757 ( -7.949 0.000 6.536) 10.291 11.837 ( -11.577 0.000 -2.472) 11.838 12.213 ( 13.766 -0.000 9.758) 16.874 12.377 ( 17.283 -0.000 -7.670) 18.908 12.386 ( -0.545 0.000 -0.015) 0.545 12.430 ( -5.886 0.000 -4.973) 7.706 13.645 ( 0.515 -0.000 3.681) 3.717 13.699 ( -0.397 0.000 -1.940) 1.980 15.542 ( 0.484 -0.000 6.690) 6.707 15.725 ( -0.216 0.000 -13.304) 13.306 17.087 ( -0.843 0.000 13.571) 13.597 17.287 ( -2.012 0.000 -8.199) 8.442 ======================= Grid point 600 (196/219) ======================= q-point: (-0.69 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 1.350 1.006 2.944) 3.392 2.646 ( 0.887 0.320 -1.806) 2.037 3.040 ( -5.241 -0.332 6.179) 8.110 3.117 ( -3.187 3.162 -3.283) 5.562 3.249 ( -3.175 -4.191 -0.534) 5.285 3.331 ( -3.671 0.640 -7.617) 8.480 3.764 ( -6.150 1.548 5.013) 8.084 3.836 ( -5.129 -0.083 -2.011) 5.510 3.881 ( -3.320 -2.558 6.394) 7.645 4.025 ( 0.526 -1.295 -8.702) 8.813 4.723 ( 7.254 1.125 5.867) 9.397 4.799 ( 7.016 0.796 -2.445) 7.472 5.158 ( -5.292 -2.013 1.102) 5.769 5.195 ( -5.200 -1.631 -2.855) 6.152 6.150 ( -4.947 3.035 3.555) 6.807 6.192 ( -5.476 1.661 -1.234) 5.854 6.583 ( -6.227 0.260 4.903) 7.930 6.689 ( -7.492 -1.482 -5.845) 9.617 7.616 ( 5.265 0.572 5.397) 7.562 7.718 ( 2.911 0.316 -5.262) 6.022 9.631 ( -10.577 -0.315 1.805) 10.735 9.649 ( -8.996 -1.981 0.013) 9.212 10.130 ( -16.081 -2.221 2.961) 16.501 10.206 ( -11.657 -1.133 -6.010) 13.164 10.589 ( -7.586 0.409 9.316) 12.021 10.800 ( -0.166 0.062 -11.403) 11.405 11.060 ( 1.581 0.831 11.900) 12.033 11.204 ( 1.118 0.804 1.859) 2.314 11.382 ( -9.961 0.456 -4.872) 11.098 11.409 ( -7.928 -1.755 -4.818) 9.442 11.674 ( -0.066 -0.838 5.313) 5.379 11.766 ( 6.976 -1.101 -5.894) 9.199 12.276 ( -6.053 2.423 3.274) 7.296 12.340 ( -0.813 1.239 -2.668) 3.052 12.547 ( 16.889 -1.579 10.263) 19.825 12.756 ( 19.684 -1.022 -11.287) 22.713 13.654 ( 0.668 0.968 2.601) 2.855 13.684 ( -1.206 -0.520 -0.518) 1.411 15.564 ( 2.145 1.293 5.781) 6.300 15.731 ( 0.600 -0.065 -12.422) 12.437 17.106 ( 2.673 -0.470 12.298) 12.593 17.284 ( 1.458 -0.657 -7.051) 7.230 ======================= Grid point 601 (197/219) ======================= q-point: (-0.62 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -0.818 3.336 2.271) 4.117 2.640 ( -1.081 2.770 -2.123) 3.654 2.938 ( -6.370 -3.415 7.298) 10.271 3.035 ( -3.850 2.099 -2.808) 5.207 3.194 ( -4.921 -5.718 -3.310) 8.238 3.202 ( -8.491 -0.968 -4.466) 9.643 3.632 ( -5.491 5.081 5.762) 9.443 3.720 ( -4.051 1.948 -3.291) 5.571 3.906 ( -1.083 -7.894 6.455) 10.255 4.056 ( 0.181 -3.706 -9.710) 10.395 4.854 ( 6.713 3.468 6.714) 10.108 4.937 ( 7.572 1.957 -2.349) 8.166 5.037 ( -8.368 -3.059 0.998) 8.965 5.076 ( -7.960 -3.815 -2.757) 9.248 5.971 ( -10.952 4.917 2.672) 12.299 6.005 ( -11.723 3.032 -0.778) 12.134 6.363 ( -16.195 1.353 4.913) 16.978 6.468 ( -16.410 -1.285 -5.805) 17.454 7.706 ( 4.717 1.435 3.506) 6.049 7.772 ( 3.137 0.800 -3.415) 4.706 9.475 ( -7.191 -4.717 4.373) 9.648 9.540 ( -4.488 -4.862 -1.914) 6.888 9.866 ( -12.964 -3.384 5.520) 14.491 10.015 ( -9.039 -1.447 -10.433) 13.880 10.400 ( -10.950 -0.041 10.958) 15.491 10.647 ( -11.660 1.474 -14.131) 18.380 11.039 ( -6.596 0.082 5.681) 8.705 11.108 ( -12.889 1.139 -0.839) 12.966 11.212 ( -4.656 -3.242 4.961) 7.537 11.305 ( -3.800 -2.288 -3.758) 5.813 11.768 ( 8.140 -0.781 11.492) 14.105 12.003 ( 12.727 -1.169 -12.924) 18.176 12.193 ( -0.105 1.266 9.185) 9.272 12.352 ( 4.277 1.482 -7.547) 8.801 12.895 ( 17.685 0.078 11.106) 20.883 13.131 ( 18.035 0.238 -13.287) 22.403 13.658 ( -0.013 0.112 2.851) 2.853 13.679 ( 2.332 -0.040 0.510) 2.387 15.610 ( 3.479 1.314 4.137) 5.563 15.744 ( 0.492 -0.837 -10.577) 10.621 17.189 ( 5.545 -0.472 10.974) 12.305 17.345 ( 4.177 -1.395 -5.994) 7.438 ======================= Grid point 602 (198/219) ======================= q-point: (-0.56 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -5.054 6.280 1.135) 8.140 2.556 ( -5.041 6.164 -2.673) 8.399 2.846 ( -5.543 -5.048 5.384) 9.230 2.939 ( -6.163 -2.734 -4.237) 7.963 3.075 ( -5.115 -3.173 1.562) 6.219 3.142 ( -4.148 -5.396 -4.264) 8.032 3.499 ( -5.782 4.397 7.140) 10.186 3.613 ( -7.236 1.936 -4.920) 8.962 3.888 ( -6.695 -8.918 6.048) 12.686 4.036 ( -5.162 -3.338 -9.945) 11.692 4.840 ( -9.861 -3.451 4.057) 11.207 4.889 ( -7.777 -0.941 -1.448) 7.966 5.016 ( 1.573 2.544 2.338) 3.796 5.055 ( 5.483 2.840 -1.495) 6.353 5.697 ( -13.153 4.103 4.054) 14.363 5.770 ( -9.381 2.214 -2.543) 9.969 5.959 ( -24.106 2.613 5.628) 24.892 6.084 ( -23.458 0.250 -6.628) 24.378 7.780 ( 4.192 2.204 2.549) 5.378 7.828 ( 3.362 1.562 -2.452) 4.445 9.384 ( -7.286 -7.303 6.089) 11.979 9.497 ( -6.003 -7.114 -5.339) 10.731 9.702 ( -4.599 -3.668 8.215) 10.104 9.882 ( -5.652 -1.568 -10.602) 12.116 10.208 ( -8.694 -2.245 9.477) 13.055 10.428 ( -8.885 0.507 -12.211) 15.110 10.803 ( -16.745 -1.246 2.663) 17.001 10.835 ( -15.516 -2.657 -1.490) 15.812 11.152 ( -4.699 -4.250 4.291) 7.652 11.242 ( -4.974 -2.079 -4.557) 7.059 11.934 ( 8.790 1.241 14.778) 17.239 12.193 ( 7.678 0.999 -11.456) 13.827 12.277 ( 7.948 -0.310 13.207) 15.418 12.506 ( 10.844 -0.207 -10.269) 14.936 13.115 ( 2.164 1.463 8.647) 9.033 13.340 ( 2.198 1.024 -13.205) 13.426 13.750 ( 13.094 0.892 7.217) 14.977 13.851 ( 17.233 1.111 -3.974) 17.721 15.683 ( 4.466 0.099 1.756) 4.800 15.768 ( 1.495 -2.862 -7.701) 8.351 17.321 ( 7.985 -0.289 9.829) 12.667 17.459 ( 6.582 -2.374 -5.083) 8.648 ======================= Grid point 603 (199/219) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -9.984 8.785 0.908) 13.330 2.383 ( -8.806 7.425 -4.884) 12.511 2.778 ( -4.271 -2.845 4.246) 6.661 2.867 ( -4.103 -7.251 -5.125) 9.782 3.011 ( -4.901 -0.909 4.903) 6.992 3.082 ( -4.736 -1.921 -1.572) 5.347 3.359 ( -9.487 -6.149 1.562) 11.413 3.391 ( -15.415 -2.527 -1.691) 15.712 3.738 ( -12.571 -4.744 6.356) 14.864 3.898 ( -9.962 -0.446 -10.675) 14.608 4.576 ( -18.845 -0.278 4.928) 19.480 4.672 ( -16.812 -0.289 -5.053) 17.557 4.982 ( -5.056 7.643 7.118) 11.603 5.100 ( -0.451 6.535 -5.194) 8.360 5.444 ( -20.640 1.414 8.991) 22.557 5.529 ( -5.999 -2.912 8.242) 10.602 5.604 ( -17.927 2.459 -6.391) 19.190 5.703 ( -2.537 -2.992 -8.320) 9.198 7.842 ( 3.758 2.617 1.902) 4.959 7.878 ( 2.978 2.412 -1.877) 4.267 9.239 ( -11.714 -5.034 6.680) 14.394 9.362 ( -10.765 -5.041 -5.887) 13.264 9.693 ( -1.666 -1.769 4.967) 5.529 9.801 ( -4.518 -0.480 -6.042) 7.559 10.144 ( 0.199 -7.173 9.009) 11.518 10.357 ( 0.452 -5.242 -12.161) 13.250 10.484 ( -17.206 -4.353 3.232) 18.040 10.528 ( -17.876 -4.594 -1.881) 18.552 11.074 ( -6.361 -6.056 2.090) 9.028 11.137 ( -7.104 -2.534 -4.291) 8.678 12.092 ( 8.632 2.697 14.041) 16.702 12.326 ( 7.428 1.985 -9.489) 12.213 12.420 ( 5.007 0.567 14.690) 15.530 12.684 ( 5.045 0.557 -12.738) 13.712 12.994 ( -9.170 1.141 13.305) 16.199 13.277 ( -5.629 0.386 -14.964) 15.993 14.116 ( 23.427 3.297 7.134) 24.710 14.247 ( 23.150 3.333 -6.851) 24.371 15.770 ( 4.454 -1.666 1.907) 5.124 15.858 ( 5.380 -4.740 -7.432) 10.327 17.496 ( 10.022 -0.481 9.467) 13.795 17.625 ( 8.943 -3.631 -4.503) 10.651 ======================= Grid point 604 (200/219) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -11.472 11.039 1.473) 15.989 2.149 ( -10.353 8.145 -7.819) 15.319 2.677 ( -10.350 3.024 5.520) 12.114 2.788 ( -14.252 -3.970 -4.354) 15.422 2.838 ( -8.856 3.696 5.425) 11.024 2.940 ( -10.331 -0.660 -4.186) 11.167 3.139 ( -8.996 -13.060 6.171) 17.017 3.263 ( -8.950 -16.352 -6.792) 19.840 3.514 ( -11.892 -3.269 6.446) 13.916 3.656 ( -15.795 -0.825 -8.912) 18.154 4.158 ( -22.100 3.075 6.556) 23.256 4.273 ( -22.753 2.954 -5.323) 23.553 4.592 ( -26.541 12.856 9.452) 30.968 4.782 ( -20.457 12.506 -10.104) 26.019 5.318 ( 2.737 -1.284 5.204) 6.019 5.393 ( -0.495 3.651 -1.568) 4.005 5.583 ( 3.667 -10.262 10.402) 15.065 5.783 ( 4.703 -8.190 -10.187) 13.892 7.900 ( 3.954 2.214 0.760) 4.596 7.916 ( 2.671 2.375 -0.951) 3.699 9.004 ( -14.771 -1.993 7.397) 16.640 9.148 ( -14.035 -2.600 -7.734) 16.235 9.601 ( -7.941 2.681 4.126) 9.341 9.682 ( -7.858 2.845 -4.516) 9.500 10.140 ( -10.325 -3.025 7.882) 13.337 10.242 ( -12.784 -6.643 -2.995) 14.715 10.336 ( 1.110 -13.062 4.930) 14.005 10.472 ( 2.532 -12.311 -9.053) 15.490 10.997 ( -5.665 -8.659 -0.427) 10.357 11.023 ( -4.855 -3.093 -3.200) 6.587 12.201 ( 3.558 4.326 13.688) 14.789 12.401 ( -4.349 6.026 8.808) 11.524 12.453 ( 5.382 1.787 -6.231) 8.425 12.595 ( -7.815 1.611 -5.693) 9.802 12.948 ( 2.355 -0.188 9.168) 9.467 13.197 ( -2.202 -1.219 -14.984) 15.194 14.534 ( 21.687 5.277 5.390) 22.961 14.642 ( 19.495 4.442 -5.749) 20.805 15.895 ( 7.451 -2.847 2.516) 8.364 16.003 ( 6.385 -4.655 -8.875) 11.883 17.706 ( 11.137 -1.368 10.026) 15.048 17.837 ( 10.305 -4.802 -4.176) 12.112 ======================= Grid point 605 (201/219) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -9.534 13.508 2.662) 16.747 1.913 ( -8.797 8.149 -10.829) 16.157 2.262 ( -26.017 6.311 3.854) 27.047 2.325 ( -28.591 2.740 -2.791) 28.857 2.729 ( -3.497 1.846 6.208) 7.361 2.799 ( -7.430 4.424 -1.657) 8.804 3.061 ( -11.859 -11.753 4.969) 17.420 3.179 ( -10.652 -14.934 -7.726) 19.904 3.325 ( -10.477 -7.382 3.305) 13.236 3.411 ( -7.518 -9.331 -5.573) 13.215 3.739 ( -22.508 -2.622 2.897) 22.844 3.786 ( -26.313 -0.194 -2.321) 26.416 4.035 ( -16.652 19.638 17.806) 31.305 4.390 ( -10.012 16.919 -19.472) 27.670 5.385 ( 3.134 2.268 4.628) 6.032 5.414 ( 4.023 5.141 1.271) 6.651 5.747 ( 5.091 -14.516 9.877) 18.281 5.943 ( 5.120 -12.887 -10.381) 17.322 7.960 ( 3.539 2.064 0.609) 4.142 7.977 ( 5.219 1.717 -1.177) 5.619 8.702 ( -17.055 0.099 7.839) 18.770 8.855 ( -17.402 -0.925 -8.429) 19.358 9.348 ( -16.178 3.178 4.589) 17.113 9.433 ( -15.713 3.977 -4.587) 16.845 10.007 ( -3.656 -1.146 7.914) 8.792 10.128 ( -3.730 -4.589 -4.892) 7.675 10.407 ( -1.927 -9.523 5.756) 11.294 10.534 ( -2.904 -13.468 -7.672) 15.769 10.987 ( -0.231 -9.820 1.494) 9.936 11.034 ( -0.264 -10.388 -2.942) 10.800 12.173 ( -0.279 6.778 7.681) 10.248 12.252 ( -4.268 5.400 4.741) 8.358 12.466 ( -0.330 4.129 0.736) 4.207 12.590 ( 4.450 1.454 -5.330) 7.094 12.969 ( -0.613 1.113 7.084) 7.197 13.182 ( -1.429 -1.335 -13.932) 14.068 14.852 ( 14.303 6.479 4.068) 16.220 14.921 ( 12.522 5.287 -3.030) 13.926 16.080 ( 9.579 -2.510 -0.969) 9.950 16.138 ( 5.040 -3.203 -7.264) 9.404 17.928 ( 10.411 -3.049 10.989) 15.441 18.063 ( 9.701 -6.136 -3.762) 12.079 ======================= Grid point 606 (202/219) ======================= q-point: (-0.31 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -5.002 15.262 4.658) 16.722 1.706 ( -20.112 9.211 1.496) 22.172 1.737 ( -12.672 6.734 -9.449) 17.181 1.783 ( -18.771 8.733 -6.162) 21.601 2.596 ( -8.462 2.466 2.502) 9.163 2.627 ( -7.067 2.716 -0.538) 7.590 2.865 ( -8.831 -4.875 9.408) 13.793 3.001 ( -7.748 5.651 -2.606) 9.938 3.257 ( -15.812 -1.804 1.172) 15.958 3.283 ( -15.391 -2.272 -1.805) 15.662 3.351 ( -6.707 -11.867 6.757) 15.214 3.494 ( -3.190 -17.538 -7.518) 19.346 3.815 ( -1.589 5.600 15.441) 16.502 4.185 ( -2.492 15.442 -22.424) 27.341 5.403 ( 1.888 7.207 6.276) 9.741 5.455 ( 2.516 4.547 -0.375) 5.210 5.921 ( 3.508 -15.560 10.164) 18.914 6.111 ( 3.389 -15.837 -9.939) 19.002 8.026 ( 4.848 4.228 2.074) 6.759 8.075 ( 6.133 4.386 -2.857) 8.063 8.383 ( -14.316 0.568 6.592) 15.771 8.512 ( -17.367 1.135 -7.127) 18.806 9.005 ( -15.404 3.150 6.049) 16.846 9.105 ( -14.064 3.362 -4.717) 15.210 9.959 ( -1.747 3.078 6.086) 7.040 10.075 ( -2.576 4.700 -6.014) 8.056 10.465 ( 3.693 -9.781 7.779) 13.032 10.618 ( 4.149 -14.877 -8.638) 17.696 11.025 ( -4.405 -13.312 1.767) 14.132 11.055 ( -5.240 -14.801 -1.463) 15.769 12.201 ( 6.165 4.768 4.560) 9.030 12.233 ( 5.406 4.902 0.222) 7.301 12.424 ( -1.893 4.651 10.104) 11.283 12.646 ( 2.344 2.735 -7.979) 8.754 12.909 ( -4.032 2.765 5.606) 7.438 13.128 ( -4.097 1.320 -15.859) 16.432 14.997 ( 5.294 6.719 4.682) 9.751 15.067 ( 6.427 7.248 -2.894) 10.110 16.225 ( 2.619 -1.416 -2.437) 3.847 16.258 ( 6.787 -1.426 -5.864) 9.082 18.124 ( 6.883 -5.720 11.975) 14.950 18.263 ( 6.417 -8.013 -3.295) 10.782 ======================= Grid point 607 (203/219) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.000 14.356 5.147) 15.251 1.426 ( -0.000 16.441 7.262) 17.973 1.460 ( -0.000 9.750 -4.635) 10.796 1.666 ( -0.000 6.074 -17.529) 18.552 2.502 ( 0.000 -1.181 1.709) 2.077 2.536 ( 0.000 -0.643 -1.961) 2.063 2.798 ( -0.000 3.520 9.862) 10.472 2.850 ( -0.000 19.080 8.291) 20.803 3.062 ( -0.000 0.735 1.120) 1.339 3.081 ( -0.000 1.045 -0.962) 1.420 3.429 ( 0.000 -17.121 6.264) 18.231 3.595 ( 0.000 -20.796 -9.877) 23.023 3.815 ( 0.000 -6.477 7.978) 10.276 4.091 ( -0.000 10.329 -20.238) 22.721 5.375 ( -0.000 9.060 7.020) 11.461 5.449 ( -0.000 6.079 -1.923) 6.376 6.046 ( 0.000 -14.720 11.099) 18.435 6.241 ( 0.000 -16.310 -9.739) 18.997 8.021 ( -0.000 12.723 5.032) 13.682 8.131 ( -0.000 12.881 -6.831) 14.580 8.215 ( 0.000 -1.330 5.186) 5.353 8.309 ( 0.000 -3.010 -4.619) 5.513 8.819 ( -0.000 3.074 7.241) 7.867 8.937 ( -0.000 3.017 -5.452) 6.231 9.909 ( -0.000 7.363 3.849) 8.308 9.997 ( -0.000 11.582 -5.230) 12.708 10.598 ( 0.000 -14.914 9.999) 17.955 10.795 ( 0.000 -18.382 -11.143) 21.496 11.034 ( 0.000 -15.386 1.462) 15.455 11.062 ( 0.000 -15.114 -1.514) 15.190 12.282 ( -0.000 3.363 1.171) 3.561 12.304 ( -0.000 3.396 -1.118) 3.576 12.346 ( -0.000 4.042 17.577) 18.036 12.648 ( -0.000 3.776 -10.204) 10.880 12.830 ( -0.000 4.153 4.595) 6.194 13.054 ( -0.000 4.400 -17.007) 17.567 15.002 ( -0.000 7.324 5.074) 8.910 15.081 ( -0.000 8.499 -3.475) 9.182 16.253 ( 0.000 -0.046 0.473) 0.475 16.332 ( 0.000 -0.387 -7.523) 7.533 18.237 ( 0.000 -8.448 12.702) 15.254 18.381 ( 0.000 -9.590 -3.170) 10.100 ======================= Grid point 616 (204/219) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.008 -0.000 2.528) 2.528 2.655 ( -0.242 0.000 -0.968) 0.997 2.914 ( -7.588 0.000 7.835) 10.907 3.058 ( -4.471 0.000 -7.324) 8.581 3.145 ( -5.474 0.000 0.199) 5.477 3.202 ( -8.684 0.000 -5.854) 10.473 3.674 ( -4.301 0.000 4.084) 5.931 3.728 ( -4.434 0.000 -0.629) 4.479 3.854 ( -1.395 0.000 7.432) 7.562 4.034 ( 0.170 -0.000 -11.091) 11.093 4.874 ( 6.585 -0.000 6.966) 9.585 4.947 ( 7.580 -0.000 -1.116) 7.662 5.022 ( -6.941 0.000 -0.081) 6.942 5.051 ( -8.844 0.000 -3.289) 9.436 6.005 ( -10.599 0.000 2.413) 10.870 6.018 ( -12.691 0.000 0.476) 12.700 6.372 ( -15.909 0.000 3.428) 16.274 6.459 ( -16.011 0.000 -5.206) 16.837 7.714 ( 4.757 -0.000 3.312) 5.796 7.777 ( 3.189 -0.000 -3.219) 4.532 9.447 ( -7.809 0.000 4.247) 8.889 9.511 ( -4.851 0.000 -2.009) 5.250 9.846 ( -12.621 0.000 6.092) 14.014 10.006 ( -8.919 0.000 -11.170) 14.294 10.400 ( -11.229 0.000 11.591) 16.138 10.657 ( -11.580 0.000 -14.669) 18.690 11.039 ( -7.254 0.000 5.868) 9.330 11.116 ( -14.543 0.000 -1.379) 14.608 11.192 ( -4.114 0.000 5.726) 7.050 11.291 ( -3.193 0.000 -3.883) 5.027 11.763 ( 8.570 -0.000 11.252) 14.144 11.996 ( 13.224 -0.000 -12.904) 18.477 12.202 ( -0.628 0.000 9.490) 9.511 12.361 ( 3.846 -0.000 -7.457) 8.390 12.895 ( 18.180 -0.000 11.067) 21.283 13.132 ( 18.449 -0.000 -13.389) 22.795 13.659 ( -0.431 0.000 2.786) 2.819 13.679 ( 2.652 -0.000 0.555) 2.710 15.618 ( 3.098 -0.000 3.438) 4.628 15.739 ( 0.155 -0.000 -9.818) 9.819 17.186 ( 5.685 -0.000 10.628) 12.053 17.337 ( 4.124 -0.000 -5.728) 7.058 ======================= Grid point 618 (205/219) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -3.197 4.339 1.690) 5.649 2.616 ( -3.965 3.219 -1.481) 5.317 2.779 ( -6.594 -4.859 7.346) 11.003 2.922 ( -8.857 -0.508 -7.793) 11.808 3.051 ( -4.863 -1.116 0.017) 4.989 3.085 ( -3.684 -3.085 -3.538) 5.967 3.556 ( -7.443 4.000 4.833) 9.734 3.628 ( -7.884 0.474 -2.775) 8.372 3.807 ( -4.891 -4.351 9.468) 11.511 4.010 ( -3.549 -1.143 -12.170) 12.729 4.808 ( -10.162 -1.506 3.788) 10.949 4.870 ( -9.890 -1.271 -3.201) 10.472 5.052 ( 5.765 2.639 2.576) 6.843 5.073 ( 5.406 0.121 0.359) 5.419 5.733 ( -15.050 1.820 3.485) 15.555 5.784 ( -11.152 0.289 -0.291) 11.160 5.984 ( -23.668 1.262 3.126) 23.907 6.083 ( -22.839 -0.181 -6.068) 23.632 7.798 ( 4.238 0.785 2.291) 4.881 7.841 ( 3.606 0.564 -2.187) 4.255 9.326 ( -6.504 -2.609 6.061) 9.265 9.439 ( -5.158 -2.594 -5.585) 8.032 9.672 ( -4.557 -1.380 8.753) 9.964 9.868 ( -5.553 -0.693 -12.074) 13.308 10.193 ( -9.668 -0.543 11.561) 15.080 10.434 ( -10.066 0.389 -12.711) 16.219 10.793 ( -18.110 -0.451 1.397) 18.170 10.815 ( -15.381 -0.852 -1.842) 15.515 11.117 ( -4.904 -1.565 5.911) 7.838 11.224 ( -4.842 -0.794 -5.080) 7.063 11.943 ( 9.500 0.359 14.782) 17.576 12.200 ( 8.367 0.316 -11.452) 14.187 12.275 ( 7.513 -0.069 13.767) 15.684 12.507 ( 10.447 0.112 -10.475) 14.794 13.127 ( 2.303 0.497 8.387) 8.712 13.348 ( 1.956 0.295 -13.039) 13.188 13.757 ( 13.883 0.302 7.253) 15.666 13.859 ( 18.055 0.350 -4.113) 18.521 15.687 ( 4.196 0.321 0.308) 4.219 15.742 ( 0.306 -1.361 -6.081) 6.239 17.320 ( 8.149 -0.025 8.771) 11.973 17.439 ( 6.331 -0.884 -4.210) 7.654 ======================= Grid point 619 (206/219) ======================= q-point: (-0.56 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -9.021 8.036 0.859) 12.112 2.468 ( -8.029 6.420 -3.499) 10.859 2.725 ( -3.456 -5.891 3.997) 7.913 2.791 ( -5.728 -4.972 -3.518) 8.361 2.987 ( -3.260 -2.157 1.853) 4.327 3.048 ( -3.255 -3.799 -4.116) 6.478 3.329 ( -14.922 0.073 3.163) 15.254 3.378 ( -17.731 -0.260 -2.108) 17.858 3.700 ( -8.866 -1.960 9.545) 13.174 3.899 ( -8.658 0.273 -11.714) 14.569 4.569 ( -16.512 -0.699 4.262) 17.067 4.659 ( -14.562 -1.417 -5.446) 15.612 5.062 ( -3.065 5.625 6.618) 9.210 5.153 ( 1.797 2.572 -2.304) 3.893 5.459 ( -21.352 1.307 8.575) 23.046 5.499 ( -12.625 -2.322 8.011) 15.132 5.628 ( -17.909 1.657 -7.159) 19.358 5.674 ( -4.905 -1.937 -8.618) 10.103 7.866 ( 3.552 1.500 1.841) 4.272 7.901 ( 3.046 1.420 -1.780) 3.803 9.194 ( -9.463 -2.710 6.456) 11.772 9.313 ( -9.137 -3.132 -5.785) 11.259 9.675 ( 1.142 -1.231 5.209) 5.473 9.798 ( -2.599 -0.119 -7.376) 7.822 10.078 ( -2.342 -3.985 11.417) 12.317 10.311 ( -3.019 -2.703 -12.000) 12.666 10.444 ( -18.562 -2.507 2.350) 18.877 10.491 ( -18.557 -1.950 -3.380) 18.963 11.019 ( -6.672 -3.298 4.425) 8.659 11.116 ( -6.793 -1.227 -5.707) 8.956 12.116 ( 8.894 1.418 14.035) 16.676 12.343 ( 7.314 0.980 -8.782) 11.471 12.425 ( 6.333 0.222 15.007) 16.290 12.690 ( 6.257 0.335 -12.661) 14.127 13.007 ( -9.963 0.898 12.234) 15.803 13.281 ( -6.138 0.206 -14.802) 16.025 14.147 ( 24.297 1.882 7.153) 25.398 14.277 ( 23.694 1.818 -6.797) 24.716 15.757 ( 3.451 -0.479 -0.070) 3.485 15.808 ( 5.281 -3.539 -5.261) 8.252 17.495 ( 10.051 0.119 7.539) 12.565 17.591 ( 8.538 -2.219 -2.876) 9.279 ======================= Grid point 620 (207/219) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -10.236 10.288 0.566) 14.524 2.252 ( -9.295 8.977 -6.471) 14.452 2.681 ( -5.200 -2.084 3.212) 6.457 2.723 ( -9.042 -6.137 -0.530) 10.941 2.865 ( -14.226 0.157 1.853) 14.347 2.922 ( -14.619 -3.308 -3.029) 15.291 3.033 ( -9.096 -4.911 3.811) 11.017 3.114 ( -8.659 -8.518 -4.878) 13.089 3.488 ( -13.435 -1.131 7.952) 15.653 3.653 ( -17.045 0.191 -9.800) 19.662 4.183 ( -22.549 1.437 5.826) 23.334 4.297 ( -23.082 1.357 -6.356) 23.979 4.750 ( -21.642 13.774 9.735) 27.439 4.917 ( -17.560 10.533 -7.082) 21.667 5.276 ( 0.617 -6.014 6.946) 9.209 5.394 ( -0.131 -5.263 -4.479) 6.912 5.493 ( 0.665 -2.889 10.933) 11.327 5.708 ( 3.254 -4.582 -11.099) 12.441 7.920 ( 3.206 1.324 0.907) 3.585 7.938 ( 1.912 1.397 -0.958) 2.554 8.989 ( -12.894 -0.676 6.905) 14.642 9.124 ( -12.485 -1.578 -7.260) 14.528 9.640 ( -5.326 3.877 4.653) 8.065 9.730 ( -4.595 4.914 -4.556) 8.126 10.103 ( -8.559 -3.289 6.527) 11.255 10.172 ( -11.595 -6.245 -1.220) 13.226 10.192 ( -3.970 -10.363 3.929) 11.773 10.337 ( -0.552 -10.367 -9.158) 13.844 10.917 ( -5.805 -5.081 2.813) 8.212 11.002 ( -4.746 -0.850 -6.366) 7.986 12.242 ( 4.341 2.677 13.520) 14.449 12.464 ( -1.913 4.491 11.172) 12.192 12.469 ( 6.104 1.099 -7.375) 9.636 12.607 ( -9.824 0.477 -3.577) 10.466 12.950 ( 3.126 0.407 6.751) 7.451 13.185 ( -2.991 -0.835 -15.260) 15.573 14.588 ( 22.315 3.814 4.956) 23.175 14.686 ( 19.443 2.959 -5.080) 20.313 15.866 ( 7.318 -2.114 1.139) 7.702 15.951 ( 6.812 -4.079 -7.500) 10.923 17.697 ( 10.867 -0.198 7.617) 13.272 17.787 ( 9.922 -3.649 -2.199) 10.798 ======================= Grid point 621 (208/219) ======================= q-point: (-0.44 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -8.540 12.494 0.761) 15.153 2.025 ( -8.133 10.741 -8.402) 15.878 2.322 ( -25.116 4.167 1.742) 25.519 2.352 ( -26.637 2.086 -1.528) 26.762 2.714 ( -2.632 -5.392 7.712) 9.771 2.827 ( -4.553 -1.666 -3.852) 6.193 2.952 ( -8.269 -5.667 1.815) 10.187 2.994 ( -10.644 -13.395 -3.504) 17.464 3.256 ( -12.739 -4.710 1.750) 13.694 3.327 ( -12.064 -5.868 -5.621) 14.545 3.721 ( -24.738 -0.683 3.833) 25.042 3.788 ( -27.857 0.358 -3.430) 28.070 4.284 ( -13.610 22.605 15.954) 30.835 4.583 ( -8.491 16.055 -15.483) 23.866 5.362 ( 3.253 -6.023 6.803) 9.650 5.464 ( 3.984 1.380 -2.819) 5.072 5.574 ( 2.636 -13.284 12.473) 18.412 5.817 ( 3.805 -8.316 -12.311) 15.336 7.971 ( 2.385 -0.008 0.758) 2.503 7.986 ( 4.362 0.061 -0.900) 4.454 8.713 ( -15.374 1.527 7.084) 16.997 8.852 ( -15.942 0.212 -7.685) 17.699 9.401 ( -15.677 5.624 5.158) 17.436 9.495 ( -15.715 6.436 -5.047) 17.716 9.984 ( -2.635 -2.368 5.988) 6.957 10.068 ( -2.340 -4.624 -3.197) 6.089 10.287 ( 1.362 -11.507 3.859) 12.213 10.375 ( -2.158 -13.985 -5.393) 15.143 10.884 ( -1.576 -7.479 2.710) 8.109 10.960 ( -1.763 -2.865 -5.002) 6.028 12.242 ( -0.033 4.934 7.568) 9.034 12.312 ( -5.633 4.917 5.437) 9.245 12.509 ( 0.654 3.247 0.658) 3.376 12.599 ( 4.685 0.082 -2.062) 5.119 12.985 ( 0.376 1.673 4.161) 4.500 13.164 ( -0.970 -1.572 -13.137) 13.266 14.921 ( 14.272 5.323 3.376) 15.602 14.973 ( 12.860 3.571 -1.942) 13.487 16.050 ( 9.829 -2.444 -1.959) 10.316 16.098 ( 5.892 -3.492 -6.802) 9.652 17.903 ( 9.810 -1.357 8.554) 13.086 17.999 ( 9.177 -4.926 -1.940) 10.594 ======================= Grid point 622 (209/219) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -6.170 12.979 1.251) 14.426 1.793 ( -14.079 6.577 -2.846) 15.798 1.830 ( -19.768 8.286 0.619) 21.444 1.899 ( -10.356 11.546 -8.303) 17.592 2.616 ( -11.915 1.209 2.431) 12.220 2.652 ( -8.842 1.606 -0.283) 8.992 2.782 ( -6.470 -9.005 8.310) 13.857 2.967 ( -2.231 -11.503 -9.821) 15.289 3.157 ( -2.485 -11.092 5.151) 12.479 3.228 ( -10.412 -3.810 -1.277) 11.160 3.306 ( -18.629 -1.112 -0.318) 18.665 3.348 ( -10.951 -7.676 -4.855) 14.228 3.989 ( -4.044 22.257 21.065) 30.911 4.384 ( -2.617 18.120 -20.884) 27.773 5.440 ( 2.097 -1.878 6.744) 7.308 5.506 ( 2.401 4.703 0.712) 5.328 5.722 ( 2.363 -18.451 9.665) 20.963 5.941 ( 2.529 -12.727 -12.027) 17.692 8.041 ( 4.767 -1.354 2.707) 5.647 8.095 ( 6.758 -0.725 -2.935) 7.404 8.409 ( -13.821 3.785 6.429) 15.706 8.536 ( -15.356 2.767 -7.150) 17.164 9.056 ( -14.556 5.599 5.952) 16.693 9.155 ( -13.867 5.137 -4.705) 15.518 9.958 ( -2.194 -2.833 5.714) 6.745 10.059 ( -2.361 -5.874 -4.633) 7.845 10.410 ( 7.597 -2.175 2.901) 8.418 10.476 ( 5.857 -9.652 -4.477) 12.145 10.888 ( -4.828 -10.599 1.053) 11.694 10.909 ( -7.307 -8.994 -0.855) 11.619 12.254 ( 4.348 4.270 4.821) 7.771 12.282 ( 4.298 3.485 0.500) 5.556 12.479 ( -1.648 4.941 9.952) 11.233 12.669 ( 2.637 1.187 -4.485) 5.336 12.944 ( -2.803 3.172 3.148) 5.275 13.136 ( -2.579 -0.003 -14.734) 14.958 15.067 ( 5.155 5.360 5.129) 9.034 15.142 ( 7.008 5.591 -2.904) 9.423 16.203 ( 3.306 -2.261 -2.814) 4.895 16.236 ( 6.920 -2.253 -6.677) 9.876 18.073 ( 6.142 -3.176 9.727) 11.934 18.179 ( 5.795 -6.433 -1.885) 8.861 ======================= Grid point 623 (210/219) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 11.388 2.557) 11.672 1.563 ( -0.000 7.878 -2.274) 8.200 1.617 ( -0.000 15.920 2.199) 16.071 1.765 ( -0.000 11.345 -12.687) 17.019 2.489 ( 0.000 -1.000 2.019) 2.253 2.530 ( 0.000 -0.458 -2.315) 2.360 2.781 ( 0.000 -4.632 12.505) 13.335 2.989 ( -0.000 0.707 -7.722) 7.754 3.070 ( -0.000 0.659 1.300) 1.457 3.093 ( -0.000 0.890 -1.114) 1.426 3.231 ( 0.000 -15.844 6.115) 16.983 3.370 ( 0.000 -16.238 -7.198) 17.762 3.852 ( -0.000 13.419 19.566) 23.725 4.258 ( -0.000 17.246 -22.797) 28.585 5.455 ( -0.000 3.643 6.648) 7.580 5.504 ( -0.000 4.235 0.567) 4.273 5.855 ( 0.000 -18.198 9.320) 20.446 6.050 ( 0.000 -15.713 -10.848) 19.094 8.164 ( -0.000 11.583 4.868) 12.564 8.168 ( 0.000 -6.177 4.850) 7.853 8.254 ( 0.000 -6.030 -4.201) 7.349 8.272 ( -0.000 10.928 -6.791) 12.866 8.867 ( -0.000 5.339 7.092) 8.877 8.981 ( -0.000 4.553 -5.183) 6.898 9.946 ( 0.000 -0.852 5.603) 5.667 10.058 ( 0.000 -2.240 -5.989) 6.394 10.519 ( -0.000 1.748 5.646) 5.910 10.628 ( 0.000 -9.831 -6.274) 11.662 10.857 ( 0.000 -14.915 1.654) 15.006 10.889 ( 0.000 -14.571 -1.695) 14.669 12.314 ( -0.000 2.219 1.193) 2.519 12.337 ( -0.000 2.265 -1.146) 2.538 12.404 ( -0.000 5.905 18.094) 19.034 12.683 ( -0.000 2.269 -6.117) 6.524 12.881 ( -0.000 4.468 2.199) 4.980 13.093 ( -0.000 2.324 -16.852) 17.012 15.080 ( -0.000 6.078 5.905) 8.474 15.171 ( -0.000 6.921 -3.838) 7.914 16.244 ( 0.000 -1.392 -0.428) 1.456 16.318 ( 0.000 -1.848 -8.215) 8.420 18.159 ( 0.000 -5.065 10.896) 12.016 18.279 ( 0.000 -7.845 -2.249) 8.160 ======================= Grid point 634 (211/219) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -9.112 0.000 -0.259) 9.116 2.501 ( -7.659 0.000 -1.136) 7.743 2.679 ( -2.650 0.000 4.184) 4.953 2.760 ( -6.499 0.000 -4.510) 7.910 2.974 ( -3.438 0.000 0.835) 3.538 3.020 ( -2.742 0.000 -4.214) 5.027 3.333 ( -16.798 0.000 2.754) 17.022 3.377 ( -18.218 0.000 -1.915) 18.318 3.689 ( -7.146 0.000 10.863) 13.003 3.901 ( -8.204 0.000 -11.893) 14.448 4.564 ( -15.667 0.000 3.866) 16.137 4.649 ( -13.570 0.000 -5.336) 14.581 5.098 ( -2.124 0.000 5.498) 5.894 5.165 ( 2.445 -0.000 -0.153) 2.450 5.475 ( -11.933 0.000 7.192) 13.933 5.476 ( -25.067 0.000 8.752) 26.551 5.640 ( -19.990 0.000 -6.848) 21.131 5.660 ( -3.551 0.000 -9.254) 9.912 7.875 ( 3.471 -0.000 1.827) 3.923 7.909 ( 3.059 -0.000 -1.752) 3.525 9.178 ( -8.559 0.000 6.301) 10.628 9.294 ( -8.482 0.000 -5.644) 10.188 9.667 ( 2.303 -0.000 5.298) 5.777 9.797 ( -1.687 0.000 -8.117) 8.290 10.055 ( -3.759 0.000 12.551) 13.101 10.295 ( -4.514 0.000 -11.889) 12.717 10.429 ( -19.053 0.000 2.188) 19.178 10.480 ( -18.695 0.000 -4.275) 19.177 11.000 ( -6.702 0.000 5.362) 8.583 11.108 ( -6.616 0.000 -6.196) 9.065 12.124 ( 8.984 -0.000 14.015) 16.647 12.348 ( 7.227 -0.000 -8.688) 11.301 12.426 ( 6.814 -0.000 15.309) 16.757 12.692 ( 6.611 -0.000 -12.665) 14.287 13.013 ( -10.172 0.000 11.812) 15.588 13.282 ( -6.290 0.000 -14.689) 15.979 14.158 ( 24.630 -0.000 7.146) 25.645 14.288 ( 23.908 -0.000 -6.752) 24.843 15.757 ( 2.403 -0.000 -1.488) 2.826 15.784 ( 5.887 -0.000 -3.792) 7.002 17.496 ( 10.139 -0.000 6.689) 12.147 17.577 ( 8.322 -0.000 -2.133) 8.591 ======================= Grid point 636 (212/219) ======================= q-point: (-0.56 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -9.174 7.456 -0.762) 11.846 2.328 ( -8.944 2.460 -4.674) 10.387 2.636 ( -3.813 -3.455 2.980) 5.945 2.671 ( -4.978 -2.859 -1.033) 5.833 2.856 ( -15.673 -0.597 -0.011) 15.685 2.876 ( -18.989 -3.090 -1.839) 19.327 3.007 ( -9.767 -0.580 2.692) 10.148 3.062 ( -7.674 -1.502 -3.409) 8.530 3.483 ( -14.510 -0.033 8.667) 16.902 3.657 ( -17.772 0.242 -10.043) 20.414 4.194 ( -22.596 0.429 5.553) 23.273 4.307 ( -22.953 0.377 -6.677) 23.907 4.892 ( -16.923 8.884 8.053) 20.741 5.015 ( -15.484 5.364 -3.391) 16.734 5.191 ( -3.179 -6.789 9.156) 11.834 5.318 ( -2.041 -4.826 -3.197) 6.138 5.490 ( 0.802 0.490 6.068) 6.141 5.675 ( 2.947 -1.350 -11.168) 11.629 7.930 ( 2.606 0.424 0.981) 2.816 7.949 ( 1.246 0.435 -0.932) 1.616 8.986 ( -11.720 -0.057 6.463) 13.384 9.112 ( -11.356 -0.483 -6.833) 13.262 9.680 ( -2.531 2.317 5.140) 6.180 9.783 ( -0.796 3.391 -5.402) 6.428 10.053 ( 0.066 -4.809 10.195) 11.272 10.106 ( -13.152 -1.210 0.555) 13.220 10.126 ( -14.063 -3.612 -1.126) 14.563 10.250 ( -4.339 -4.006 -9.713) 11.368 10.878 ( -5.729 -1.612 4.872) 7.691 10.998 ( -4.239 -0.131 -7.937) 8.999 12.263 ( 4.713 0.902 13.374) 14.209 12.475 ( 5.885 0.289 -4.575) 7.459 12.504 ( 1.892 1.916 9.337) 9.717 12.608 ( -12.670 -0.111 -2.729) 12.961 12.954 ( 3.585 0.246 5.331) 6.429 13.178 ( -3.554 -0.304 -15.289) 15.700 14.619 ( 22.730 1.427 4.629) 23.240 14.709 ( 19.297 1.029 -4.558) 19.854 15.849 ( 7.185 -0.710 -0.058) 7.220 15.916 ( 7.119 -1.707 -6.386) 9.714 17.699 ( 10.866 0.329 5.700) 12.274 17.755 ( 9.597 -1.628 -0.514) 9.747 ======================= Grid point 637 (213/219) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -8.043 10.860 -0.262) 13.517 2.139 ( -8.056 7.571 -7.241) 13.215 2.359 ( -23.938 2.281 0.605) 24.054 2.372 ( -24.742 1.180 -0.828) 24.783 2.628 ( -3.267 -6.924 5.536) 9.448 2.721 ( -3.112 -12.779 -4.548) 13.917 2.922 ( -5.856 -0.589 1.363) 6.041 2.933 ( -11.634 -0.180 0.518) 11.647 3.213 ( -11.571 -2.651 0.879) 11.903 3.274 ( -17.883 -3.134 -5.396) 18.941 3.718 ( -25.797 -0.048 4.069) 26.116 3.792 ( -28.381 0.302 -3.919) 28.652 4.541 ( -9.645 20.737 11.643) 25.663 4.746 ( -7.050 10.769 -9.450) 15.968 5.249 ( 1.704 -12.159 9.180) 15.331 5.373 ( 1.721 -11.218 -1.868) 11.501 5.533 ( 3.041 1.454 7.875) 8.566 5.753 ( 3.357 -3.129 -12.739) 13.540 7.965 ( 0.921 -0.688 1.052) 1.558 7.983 ( 3.216 -0.492 -0.830) 3.357 8.731 ( -14.095 1.390 6.334) 15.515 8.857 ( -14.903 0.462 -6.981) 16.463 9.467 ( -15.647 5.185 5.578) 17.402 9.571 ( -16.905 5.955 -5.509) 18.750 9.969 ( -2.090 0.482 4.829) 5.284 10.039 ( -1.362 0.289 -2.931) 3.245 10.148 ( 4.508 -11.638 3.043) 12.846 10.216 ( -1.152 -12.955 -4.062) 13.626 10.822 ( -2.062 -3.324 5.391) 6.661 10.947 ( -2.366 -0.169 -7.564) 7.928 12.285 ( 0.259 2.411 7.523) 7.904 12.361 ( -7.249 3.273 4.270) 9.027 12.543 ( 2.238 2.628 1.283) 3.682 12.592 ( 4.624 -1.256 0.771) 4.853 13.004 ( 1.158 1.421 1.888) 2.632 13.147 ( -0.991 -1.282 -12.197) 12.304 14.973 ( 14.166 3.564 2.333) 14.792 15.001 ( 12.970 1.281 -0.534) 13.044 16.027 ( 9.951 -1.396 -3.087) 10.513 16.063 ( 6.582 -2.393 -6.159) 9.326 17.896 ( 9.530 0.123 6.144) 11.339 17.951 ( 8.874 -3.291 0.077) 9.465 ======================= Grid point 638 (214/219) ======================= q-point: (-0.44 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -12.806 6.940 -0.071) 14.566 1.857 ( -16.904 4.266 -1.044) 17.465 1.935 ( -10.772 10.547 1.425) 15.143 2.040 ( -5.276 11.693 -9.690) 16.076 2.616 ( -9.996 -3.795 4.048) 11.433 2.645 ( -6.033 -2.743 5.066) 8.342 2.695 ( -13.516 -3.236 -2.017) 14.044 2.789 ( -1.311 -15.815 -7.062) 17.370 3.067 ( -3.099 -4.831 5.489) 7.942 3.177 ( -3.042 -5.214 -5.613) 8.243 3.283 ( -17.256 -2.016 0.705) 17.388 3.311 ( -19.373 -0.298 -1.898) 19.468 4.280 ( -3.612 26.385 16.951) 31.568 4.588 ( -2.106 15.973 -15.454) 22.325 5.359 ( 1.765 -11.911 8.805) 14.917 5.488 ( 1.775 -15.097 -1.561) 15.281 5.572 ( 1.786 0.916 10.251) 10.445 5.832 ( 2.037 -6.039 -13.891) 15.283 8.009 ( 2.704 -3.381 3.553) 5.600 8.071 ( 5.161 -2.668 -3.024) 6.550 8.457 ( -11.917 3.982 5.433) 13.689 8.568 ( -13.421 2.345 -6.279) 15.001 9.128 ( -13.969 6.305 5.298) 16.216 9.218 ( -14.085 5.396 -4.370) 15.704 9.914 ( -3.615 -3.730 3.596) 6.318 9.984 ( -4.134 -5.935 -3.670) 8.111 10.369 ( 12.249 -4.997 0.910) 13.260 10.384 ( 10.008 -6.725 -0.883) 12.090 10.787 ( -5.493 -6.253 3.196) 8.916 10.853 ( -8.621 -1.551 -3.461) 9.418 12.296 ( 2.491 2.882 3.762) 5.353 12.314 ( 3.395 2.040 0.688) 4.020 12.538 ( -0.539 5.205 9.188) 10.574 12.672 ( 2.719 -0.753 -0.836) 2.943 12.980 ( -1.859 2.999 0.930) 3.649 13.129 ( -1.786 -1.093 -12.724) 12.895 15.119 ( 4.893 3.500 5.379) 8.070 15.195 ( 7.407 3.518 -2.786) 8.661 16.177 ( 3.898 -1.976 -3.192) 5.411 16.210 ( 6.936 -2.016 -7.315) 10.280 18.049 ( 5.769 -1.039 7.258) 9.330 18.115 ( 5.477 -4.603 -0.022) 7.154 ======================= Grid point 639 (215/219) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.000 7.777 0.697) 7.808 1.640 ( -0.000 5.412 -0.556) 5.440 1.789 ( -0.000 14.091 1.387) 14.159 1.922 ( -0.000 14.595 -11.562) 18.620 2.479 ( 0.000 -0.703 2.344) 2.447 2.526 ( 0.000 -0.253 -2.604) 2.616 2.694 ( 0.000 -9.907 9.953) 14.043 2.880 ( 0.000 -16.185 -10.056) 19.055 3.077 ( -0.000 0.491 1.421) 1.504 3.086 ( 0.000 -8.430 7.161) 11.061 3.102 ( -0.000 0.638 -1.224) 1.381 3.231 ( 0.000 -8.929 -8.069) 12.035 4.094 ( -0.000 25.898 20.450) 32.999 4.468 ( -0.000 18.196 -19.315) 26.536 5.434 ( 0.000 -7.245 8.139) 10.897 5.553 ( -0.000 2.198 -2.459) 3.298 5.633 ( 0.000 -17.994 12.438) 21.874 5.898 ( 0.000 -9.878 -13.684) 16.877 8.088 ( 0.000 -7.013 5.328) 8.808 8.180 ( 0.000 -6.277 -4.425) 7.680 8.281 ( -0.000 8.434 4.312) 9.472 8.376 ( -0.000 6.885 -5.882) 9.055 8.941 ( -0.000 7.051 6.134) 9.345 9.041 ( -0.000 5.489 -4.588) 7.154 9.904 ( 0.000 -5.176 3.933) 6.501 9.984 ( 0.000 -8.131 -4.260) 9.179 10.562 ( 0.000 -1.469 1.256) 1.933 10.592 ( -0.000 7.249 -1.405) 7.384 10.695 ( 0.000 -12.570 1.889) 12.712 10.731 ( 0.000 -12.175 -1.915) 12.325 12.334 ( -0.000 1.266 1.219) 1.757 12.357 ( -0.000 1.309 -1.175) 1.759 12.481 ( -0.000 7.064 16.497) 17.946 12.699 ( -0.000 0.316 -2.087) 2.111 12.932 ( -0.000 4.226 0.165) 4.229 13.107 ( -0.000 0.232 -14.953) 14.955 15.141 ( -0.000 4.344 6.481) 7.802 15.240 ( -0.000 4.876 -4.033) 6.328 16.225 ( 0.000 -1.722 -1.311) 2.164 16.293 ( 0.000 -2.304 -8.748) 9.047 18.116 ( 0.000 -2.396 8.493) 8.825 18.200 ( 0.000 -5.820 -0.640) 5.855 ======================= Grid point 652 (216/219) ======================= q-point: (-0.56 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -8.367 0.000 -3.255) 8.978 2.168 ( -7.900 0.000 -3.803) 8.768 2.375 ( -25.246 0.000 -0.058) 25.246 2.377 ( -21.650 0.000 -0.389) 21.654 2.600 ( -3.727 0.000 1.337) 3.960 2.617 ( -3.984 0.000 -0.601) 4.029 2.921 ( -4.315 0.000 1.536) 4.581 2.935 ( -11.212 0.000 0.393) 11.219 3.197 ( -10.603 0.000 0.734) 10.628 3.256 ( -20.957 0.000 -5.286) 21.614 3.718 ( -26.081 0.000 4.104) 26.402 3.794 ( -28.522 0.000 -4.060) 28.810 4.700 ( -6.546 0.000 6.565) 9.270 4.799 ( -7.680 0.000 -2.602) 8.109 5.157 ( 0.790 -0.000 10.493) 10.523 5.298 ( 0.641 -0.000 -3.544) 3.601 5.543 ( 3.258 -0.000 6.017) 6.843 5.736 ( 3.321 -0.000 -12.338) 12.777 7.960 ( 0.294 -0.000 1.194) 1.230 7.979 ( 2.714 -0.000 -0.836) 2.840 8.740 ( -13.650 0.000 6.024) 14.921 8.860 ( -14.573 0.000 -6.678) 16.030 9.501 ( -15.925 0.000 5.753) 16.932 9.610 ( -18.169 0.000 -5.858) 19.090 9.992 ( -5.231 0.000 5.832) 7.834 10.049 ( 6.479 -0.000 1.219) 6.593 10.083 ( 8.332 -0.000 -1.507) 8.467 10.100 ( -6.611 0.000 -4.837) 8.192 10.803 ( -2.151 0.000 6.524) 6.870 10.947 ( -2.415 0.000 -8.441) 8.779 12.299 ( 0.314 -0.000 7.565) 7.572 12.381 ( -8.027 0.000 3.241) 8.656 12.568 ( 3.534 -0.000 0.018) 3.534 12.573 ( 4.159 -0.000 3.735) 5.590 13.014 ( 1.537 -0.000 1.027) 1.849 13.139 ( -1.145 0.000 -11.771) 11.826 14.999 ( 15.975 -0.000 0.945) 16.003 15.003 ( 11.121 -0.000 1.011) 11.167 16.019 ( 10.011 -0.000 -3.710) 10.676 16.048 ( 6.832 -0.000 -5.743) 8.925 17.900 ( 9.576 -0.000 4.724) 10.678 17.928 ( 8.648 -0.000 1.364) 8.755 ======================= Grid point 654 (217/219) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -17.376 1.606 -0.082) 17.450 1.893 ( -16.896 1.778 -0.551) 16.998 2.056 ( -5.360 8.332 -0.451) 9.918 2.138 ( -3.393 3.793 -8.769) 10.139 2.547 ( -2.453 -3.003 3.594) 5.287 2.603 ( -2.606 -10.085 -2.575) 10.729 2.640 ( -13.992 0.135 3.656) 14.463 2.712 ( -14.278 -0.205 -3.879) 14.797 3.035 ( -3.017 -1.109 3.919) 5.069 3.124 ( -1.120 -2.895 -5.454) 6.275 3.272 ( -18.377 -0.312 2.136) 18.503 3.311 ( -19.649 0.043 -2.008) 19.752 4.561 ( -2.245 19.510 9.343) 21.748 4.713 ( -1.872 3.084 -6.073) 7.064 5.206 ( 0.986 -10.190 10.808) 14.886 5.337 ( 0.786 -8.342 -1.544) 8.520 5.593 ( 2.037 1.100 5.161) 5.656 5.791 ( 1.926 -1.431 -13.293) 13.508 7.978 ( 1.358 -1.567 4.075) 4.572 8.046 ( 3.979 -1.268 -3.169) 5.243 8.491 ( -10.862 1.549 4.670) 11.925 8.586 ( -12.572 0.801 -5.417) 13.713 9.185 ( -13.758 2.901 4.653) 14.810 9.267 ( -14.448 2.448 -4.025) 15.196 9.885 ( -4.682 -1.194 2.064) 5.254 9.934 ( -6.056 -2.289 -3.339) 7.284 10.316 ( 14.497 -3.034 0.935) 14.841 10.323 ( 13.380 -3.038 0.174) 13.722 10.743 ( -5.803 -1.702 5.436) 8.132 10.850 ( -8.242 0.237 -5.500) 9.911 12.319 ( 1.120 0.990 2.919) 3.280 12.329 ( 3.026 0.660 0.748) 3.186 12.595 ( 0.619 3.972 7.119) 8.176 12.652 ( 2.586 -2.267 2.580) 4.300 13.008 ( -1.245 1.508 -0.527) 2.025 13.115 ( -1.600 -0.890 -10.998) 11.150 15.146 ( 4.674 1.226 5.481) 7.307 15.222 ( 7.630 1.200 -2.665) 8.170 16.161 ( 4.251 -0.777 -3.446) 5.527 16.193 ( 6.925 -0.803 -7.671) 10.365 18.047 ( 5.646 0.632 5.003) 7.570 18.073 ( 5.312 -2.490 1.930) 6.176 ======================= Grid point 655 (218/219) ======================= q-point: (-0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.000 2.728 0.482) 2.770 1.696 ( -0.000 3.920 -0.446) 3.945 1.947 ( -0.000 12.791 0.873) 12.820 2.073 ( -0.000 10.055 -11.797) 15.501 2.473 ( 0.000 -0.355 2.600) 2.624 2.524 ( 0.000 -0.099 -2.789) 2.790 2.577 ( 0.000 -8.634 6.444) 10.774 2.685 ( 0.000 -15.482 -5.362) 16.384 3.027 ( 0.000 -2.576 5.715) 6.269 3.081 ( -0.000 0.261 1.488) 1.511 3.107 ( -0.000 0.331 -1.289) 1.330 3.147 ( 0.000 -5.557 -6.976) 8.918 4.404 ( -0.000 25.980 14.118) 29.568 4.653 ( -0.000 11.836 -11.960) 16.827 5.295 ( 0.000 -15.081 10.271) 18.247 5.413 ( 0.000 -14.267 0.801) 14.290 5.603 ( -0.000 2.115 5.519) 5.911 5.824 ( 0.000 -3.409 -14.035) 14.443 8.018 ( 0.000 -4.463 5.864) 7.369 8.118 ( 0.000 -3.952 -4.725) 6.160 8.355 ( -0.000 4.312 3.569) 5.598 8.432 ( -0.000 2.942 -4.598) 5.458 9.017 ( -0.000 5.395 4.865) 7.265 9.099 ( -0.000 4.100 -3.877) 5.643 9.851 ( 0.000 -3.243 1.747) 3.684 9.900 ( 0.000 -5.689 -3.388) 6.622 10.558 ( -0.000 0.482 6.290) 6.308 10.576 ( 0.000 -7.555 2.125) 7.848 10.616 ( 0.000 -7.244 -2.131) 7.551 10.666 ( -0.000 4.693 -4.793) 6.708 12.345 ( -0.000 0.554 1.239) 1.358 12.368 ( -0.000 0.580 -1.198) 1.331 12.561 ( -0.000 6.409 13.131) 14.612 12.689 ( 0.000 -1.861 1.679) 2.507 12.976 ( -0.000 3.149 -1.332) 3.419 13.101 ( 0.000 -1.042 -12.480) 12.524 15.180 ( -0.000 2.272 6.823) 7.191 15.283 ( -0.000 2.524 -4.110) 4.823 16.208 ( 0.000 -1.121 -2.009) 2.301 16.269 ( 0.000 -1.564 -9.080) 9.214 18.102 ( 0.000 -0.232 6.070) 6.074 18.145 ( 0.000 -3.757 1.297) 3.974 ======================= Grid point 671 (219/219) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.000 0.000 0.825) 0.825 1.719 ( -0.000 0.000 -0.832) 0.832 2.043 ( -0.000 0.000 -1.187) 1.187 2.126 ( -0.000 0.000 -9.744) 9.744 2.471 ( -0.000 0.000 2.699) 2.699 2.523 ( -0.000 0.000 -2.851) 2.851 2.536 ( -0.000 0.000 2.329) 2.329 2.568 ( 0.000 -0.000 -1.196) 1.196 3.014 ( -0.000 0.000 4.628) 4.628 3.082 ( -0.000 0.000 1.509) 1.509 3.109 ( -0.000 0.000 -1.310) 1.310 3.112 ( -0.000 0.000 -5.766) 5.766 4.617 ( 0.000 -0.000 5.678) 5.678 4.694 ( -0.000 0.000 -1.316) 1.316 5.184 ( -0.000 0.000 10.886) 10.886 5.318 ( -0.000 0.000 -2.064) 2.064 5.616 ( -0.000 0.000 4.436) 4.436 5.806 ( -0.000 0.000 -13.377) 13.377 7.992 ( -0.000 0.000 6.074) 6.074 8.095 ( -0.000 0.000 -4.845) 4.845 8.380 ( -0.000 0.000 3.205) 3.205 8.448 ( -0.000 0.000 -4.012) 4.012 9.051 ( -0.000 0.000 4.307) 4.307 9.125 ( -0.000 0.000 -3.550) 3.550 9.833 ( -0.000 0.000 0.668) 0.668 9.865 ( -0.000 0.000 -2.814) 2.814 10.530 ( -0.000 0.000 2.234) 2.234 10.562 ( -0.000 0.000 7.910) 7.910 10.573 ( -0.000 0.000 -2.230) 2.230 10.694 ( -0.000 0.000 -5.753) 5.753 12.348 ( -0.000 0.000 1.247) 1.247 12.371 ( -0.000 0.000 -1.206) 1.206 12.609 ( -0.000 0.000 10.757) 10.757 12.668 ( -0.000 0.000 3.891) 3.891 12.996 ( -0.000 0.000 -1.954) 1.954 13.093 ( -0.000 0.000 -11.277) 11.277 15.193 ( -0.000 0.000 6.937) 6.937 15.298 ( -0.000 0.000 -4.127) 4.127 16.201 ( -0.000 0.000 -2.279) 2.279 16.260 ( -0.000 0.000 -9.194) 9.194 18.107 ( -0.000 0.000 4.378) 4.378 18.116 ( 0.000 -0.000 2.830) 2.830 =================== 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 3/53760 10.0 2805.550 7865.600 4684.266 0.000 0.000 -0.000 3/53760 20.0 847.074 960.909 669.725 0.000 0.000 -0.000 3/53760 30.0 362.311 307.225 225.652 0.000 0.000 -0.000 3/53760 40.0 215.533 161.521 118.191 0.000 0.000 -0.000 3/53760 50.0 152.123 107.111 77.046 0.000 0.000 -0.000 3/53760 60.0 116.516 79.358 56.252 0.000 0.000 -0.000 3/53760 70.0 93.064 62.259 43.715 0.000 0.000 -0.000 3/53760 80.0 76.289 50.554 35.309 0.000 0.000 -0.000 3/53760 90.0 63.783 42.064 29.304 0.000 0.000 -0.000 3/53760 100.0 54.238 35.686 24.841 0.000 0.000 -0.000 3/53760 110.0 46.823 30.775 21.429 0.000 0.000 -0.000 3/53760 120.0 40.974 26.918 18.762 0.000 0.000 -0.000 3/53760 130.0 36.292 23.837 16.638 0.000 0.000 -0.000 3/53760 140.0 32.491 21.337 14.918 0.000 0.000 -0.000 3/53760 150.0 29.365 19.281 13.505 0.000 0.000 -0.000 3/53760 160.0 26.761 17.567 12.328 0.000 0.000 -0.000 3/53760 170.0 24.566 16.122 11.336 0.000 0.000 -0.000 3/53760 180.0 22.697 14.890 10.490 0.000 0.000 -0.000 3/53760 190.0 21.089 13.830 9.762 0.000 0.000 -0.000 3/53760 200.0 19.694 12.910 9.129 0.000 0.000 -0.000 3/53760 210.0 18.472 12.104 8.574 0.000 0.000 -0.000 3/53760 220.0 17.395 11.393 8.084 0.000 0.000 -0.000 3/53760 230.0 16.438 10.762 7.649 0.000 0.000 -0.000 3/53760 240.0 15.583 10.198 7.260 0.000 0.000 -0.000 3/53760 250.0 14.815 9.691 6.909 0.000 0.000 -0.000 3/53760 260.0 14.121 9.234 6.592 0.000 0.000 -0.000 3/53760 270.0 13.491 8.818 6.303 0.000 0.000 -0.000 3/53760 280.0 12.916 8.439 6.040 0.000 0.000 -0.000 3/53760 290.0 12.390 8.093 5.799 0.000 0.000 -0.000 3/53760 300.0 11.906 7.774 5.577 0.000 0.000 -0.000 3/53760 310.0 11.460 7.480 5.372 0.000 0.000 -0.000 3/53760 320.0 11.047 7.209 5.182 0.000 0.000 -0.000 3/53760 330.0 10.664 6.957 5.005 0.000 0.000 -0.000 3/53760 340.0 10.308 6.722 4.841 0.000 0.000 -0.000 3/53760 350.0 9.975 6.503 4.687 0.000 0.000 -0.000 3/53760 360.0 9.664 6.299 4.543 0.000 0.000 -0.000 3/53760 370.0 9.372 6.107 4.408 0.000 0.000 -0.000 3/53760 380.0 9.098 5.927 4.281 0.000 0.000 -0.000 3/53760 390.0 8.840 5.758 4.162 0.000 0.000 -0.000 3/53760 400.0 8.597 5.598 4.049 0.000 0.000 -0.000 3/53760 410.0 8.367 5.448 3.942 0.000 0.000 -0.000 3/53760 420.0 8.149 5.305 3.841 0.000 0.000 -0.000 3/53760 430.0 7.943 5.170 3.745 0.000 0.000 -0.000 3/53760 440.0 7.747 5.041 3.654 0.000 0.000 -0.000 3/53760 450.0 7.561 4.920 3.567 0.000 0.000 -0.000 3/53760 460.0 7.384 4.804 3.485 0.000 0.000 -0.000 3/53760 470.0 7.215 4.693 3.406 0.000 0.000 -0.000 3/53760 480.0 7.054 4.588 3.331 0.000 0.000 -0.000 3/53760 490.0 6.900 4.487 3.259 0.000 0.000 -0.000 3/53760 500.0 6.753 4.391 3.190 0.000 0.000 -0.000 3/53760 510.0 6.612 4.299 3.124 0.000 0.000 -0.000 3/53760 520.0 6.477 4.211 3.061 0.000 0.000 -0.000 3/53760 530.0 6.348 4.126 3.001 0.000 0.000 -0.000 3/53760 540.0 6.224 4.045 2.943 0.000 0.000 -0.000 3/53760 550.0 6.104 3.967 2.887 0.000 0.000 -0.000 3/53760 560.0 5.990 3.892 2.833 0.000 0.000 -0.000 3/53760 570.0 5.879 3.820 2.781 0.000 0.000 -0.000 3/53760 580.0 5.773 3.750 2.731 0.000 0.000 -0.000 3/53760 590.0 5.670 3.684 2.683 0.000 0.000 -0.000 3/53760 600.0 5.571 3.619 2.637 0.000 0.000 -0.000 3/53760 610.0 5.476 3.557 2.592 0.000 0.000 -0.000 3/53760 620.0 5.384 3.497 2.549 0.000 0.000 -0.000 3/53760 630.0 5.295 3.439 2.507 0.000 0.000 -0.000 3/53760 640.0 5.209 3.383 2.467 0.000 0.000 -0.000 3/53760 650.0 5.125 3.328 2.427 0.000 0.000 -0.000 3/53760 660.0 5.045 3.276 2.389 0.000 0.000 -0.000 3/53760 670.0 4.967 3.225 2.353 0.000 0.000 -0.000 3/53760 680.0 4.891 3.175 2.317 0.000 0.000 -0.000 3/53760 690.0 4.818 3.128 2.283 0.000 0.000 -0.000 3/53760 700.0 4.747 3.081 2.249 0.000 0.000 -0.000 3/53760 710.0 4.678 3.036 2.217 0.000 0.000 -0.000 3/53760 720.0 4.610 2.993 2.185 0.000 0.000 -0.000 3/53760 730.0 4.545 2.950 2.154 0.000 0.000 -0.000 3/53760 740.0 4.482 2.909 2.125 0.000 0.000 -0.000 3/53760 750.0 4.421 2.869 2.096 0.000 0.000 -0.000 3/53760 760.0 4.361 2.830 2.067 0.000 0.000 -0.000 3/53760 770.0 4.302 2.792 2.040 0.000 0.000 -0.000 3/53760 780.0 4.246 2.755 2.013 0.000 0.000 -0.000 3/53760 790.0 4.191 2.719 1.987 0.000 0.000 -0.000 3/53760 800.0 4.137 2.684 1.962 0.000 0.000 -0.000 3/53760 810.0 4.085 2.650 1.937 0.000 0.000 -0.000 3/53760 820.0 4.033 2.617 1.913 0.000 0.000 -0.000 3/53760 830.0 3.984 2.585 1.890 0.000 0.000 -0.000 3/53760 840.0 3.935 2.553 1.867 0.000 0.000 -0.000 3/53760 850.0 3.888 2.522 1.844 0.000 0.000 -0.000 3/53760 860.0 3.842 2.492 1.822 0.000 0.000 -0.000 3/53760 870.0 3.796 2.463 1.801 0.000 0.000 -0.000 3/53760 880.0 3.752 2.434 1.780 0.000 0.000 -0.000 3/53760 890.0 3.709 2.406 1.760 0.000 0.000 -0.000 3/53760 900.0 3.667 2.379 1.740 0.000 0.000 -0.000 3/53760 910.0 3.626 2.352 1.721 0.000 0.000 -0.000 3/53760 920.0 3.586 2.326 1.702 0.000 0.000 -0.000 3/53760 930.0 3.547 2.301 1.683 0.000 0.000 -0.000 3/53760 940.0 3.508 2.276 1.665 0.000 0.000 -0.000 3/53760 950.0 3.471 2.251 1.647 0.000 0.000 -0.000 3/53760 960.0 3.434 2.227 1.630 0.000 0.000 -0.000 3/53760 970.0 3.398 2.204 1.613 0.000 0.000 -0.000 3/53760 980.0 3.363 2.181 1.596 0.000 0.000 -0.000 3/53760 990.0 3.328 2.158 1.580 0.000 0.000 -0.000 3/53760 1000.0 3.294 2.136 1.564 0.000 0.000 -0.000 3/53760 Thermal conductivity related properties were written into "kappa-m16165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:01:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|