----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.197337941411898 1.268633651974735 13.782484429999984 b -2.197337941411893 1.268633651974735 13.782484429999984 c 0.000000000000002 -2.537267303949473 13.782484429999984 Atomic positions (fractional): *1 Bi 0.57347563887394 0.57347563887395 0.57347563887394 208.980 2 Bi 0.42652436112605 0.42652436112606 0.42652436112606 208.980 *3 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *4 Te 0.86547198954053 0.86547198954053 0.86547198954053 127.600 *5 Te 0.71094007875010 0.71094007875010 0.71094007875010 127.600 6 Te 0.28905992124990 0.28905992124990 0.28905992124990 127.600 7 Te 0.13452801045947 0.13452801045947 0.13452801045947 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.394675882823791 0.000000000000000 0.000000000000000 b -2.197337941411896 3.805900955924208 0.000000000000000 c 0.000000000000000 0.000000000000000 41.347453289999997 Atomic positions (fractional): *1 Bi 0.33333333333333 0.66666666666667 0.24014230554061 208.980 > 1 2 Bi 0.33333333333333 0.66666666666667 0.09319102779272 208.980 > 2 3 Bi 0.00000000000000 0.00000000000000 0.57347563887394 208.980 > 1 4 Bi 0.00000000000000 0.00000000000000 0.42652436112606 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.90680897220728 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.75985769445939 208.980 > 2 *7 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 3 8 Sn 0.66666666666667 0.33333333333333 0.33333333333333 118.710 > 3 9 Sn 0.33333333333333 0.66666666666667 0.66666666666667 118.710 > 3 *10 Te 0.66666666666667 0.33333333333333 0.19880532287386 127.600 > 4 *11 Te 0.66666666666667 0.33333333333333 0.04427341208343 127.600 > 5 12 Te 0.00000000000000 0.00000000000000 0.28905992124990 127.600 > 6 13 Te 0.00000000000000 0.00000000000000 0.13452801045947 127.600 > 7 14 Te 0.33333333333333 0.66666666666667 0.53213865620720 127.600 > 4 15 Te 0.33333333333333 0.66666666666667 0.37760674541676 127.600 > 5 16 Te 0.66666666666667 0.33333333333333 0.62239325458324 127.600 > 6 17 Te 0.66666666666667 0.33333333333333 0.46786134379280 127.600 > 7 18 Te 0.00000000000000 0.00000000000000 0.86547198954053 127.600 > 4 19 Te 0.00000000000000 0.00000000000000 0.71094007875010 127.600 > 5 20 Te 0.33333333333333 0.66666666666667 0.95572658791657 127.600 > 6 21 Te 0.33333333333333 0.66666666666667 0.80119467712614 127.600 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.789351765647583 0.000000000000000 0.000000000000000 b -4.394675882823792 7.611801911848416 0.000000000000000 c 0.000000000000000 0.000000000000000 41.347453289999997 Atomic positions (fractional): *1 Bi 0.16666666666667 0.33333333333333 0.24014230554061 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.24014230554061 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.24014230554061 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.24014230554061 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09319102779272 208.980 > 2 6 Bi 0.66666666666667 0.33333333333333 0.09319102779272 208.980 > 2 7 Bi 0.16666666666667 0.83333333333333 0.09319102779272 208.980 > 2 8 Bi 0.66666666666667 0.83333333333333 0.09319102779272 208.980 > 2 9 Bi 0.00000000000000 0.00000000000000 0.57347563887394 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57347563887394 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57347563887394 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57347563887394 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42652436112606 208.980 > 2 14 Bi 0.50000000000000 0.00000000000000 0.42652436112606 208.980 > 2 15 Bi 0.00000000000000 0.50000000000000 0.42652436112606 208.980 > 2 16 Bi 0.50000000000000 0.50000000000000 0.42652436112606 208.980 > 2 17 Bi 0.33333333333333 0.16666666666667 0.90680897220728 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90680897220728 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90680897220728 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90680897220728 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.75985769445939 208.980 > 2 22 Bi 0.83333333333333 0.16666666666667 0.75985769445939 208.980 > 2 23 Bi 0.33333333333333 0.66666666666667 0.75985769445939 208.980 > 2 24 Bi 0.83333333333333 0.66666666666667 0.75985769445939 208.980 > 2 *25 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 3 26 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 3 27 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 3 28 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 3 29 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 3 30 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 3 31 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 3 32 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 3 33 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 3 34 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 3 35 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 3 36 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 3 *37 Te 0.33333333333333 0.16666666666667 0.19880532287386 127.600 > 4 38 Te 0.83333333333333 0.16666666666667 0.19880532287386 127.600 > 4 39 Te 0.33333333333333 0.66666666666667 0.19880532287386 127.600 > 4 40 Te 0.83333333333333 0.66666666666667 0.19880532287386 127.600 > 4 *41 Te 0.33333333333333 0.16666666666667 0.04427341208343 127.600 > 5 42 Te 0.83333333333333 0.16666666666667 0.04427341208343 127.600 > 5 43 Te 0.33333333333333 0.66666666666667 0.04427341208343 127.600 > 5 44 Te 0.83333333333333 0.66666666666667 0.04427341208343 127.600 > 5 45 Te 0.00000000000000 0.00000000000000 0.28905992124990 127.600 > 6 46 Te 0.50000000000000 0.00000000000000 0.28905992124990 127.600 > 6 47 Te 0.00000000000000 0.50000000000000 0.28905992124990 127.600 > 6 48 Te 0.50000000000000 0.50000000000000 0.28905992124990 127.600 > 6 49 Te 0.00000000000000 0.00000000000000 0.13452801045947 127.600 > 7 50 Te 0.50000000000000 0.00000000000000 0.13452801045947 127.600 > 7 51 Te 0.00000000000000 0.50000000000000 0.13452801045947 127.600 > 7 52 Te 0.50000000000000 0.50000000000000 0.13452801045947 127.600 > 7 53 Te 0.16666666666667 0.33333333333333 0.53213865620720 127.600 > 4 54 Te 0.66666666666667 0.33333333333333 0.53213865620720 127.600 > 4 55 Te 0.16666666666667 0.83333333333333 0.53213865620720 127.600 > 4 56 Te 0.66666666666667 0.83333333333333 0.53213865620720 127.600 > 4 57 Te 0.16666666666667 0.33333333333333 0.37760674541676 127.600 > 5 58 Te 0.66666666666667 0.33333333333333 0.37760674541676 127.600 > 5 59 Te 0.16666666666667 0.83333333333333 0.37760674541676 127.600 > 5 60 Te 0.66666666666667 0.83333333333333 0.37760674541676 127.600 > 5 61 Te 0.33333333333333 0.16666666666667 0.62239325458324 127.600 > 6 62 Te 0.83333333333333 0.16666666666667 0.62239325458324 127.600 > 6 63 Te 0.33333333333333 0.66666666666667 0.62239325458324 127.600 > 6 64 Te 0.83333333333333 0.66666666666667 0.62239325458324 127.600 > 6 65 Te 0.33333333333333 0.16666666666667 0.46786134379280 127.600 > 7 66 Te 0.83333333333333 0.16666666666667 0.46786134379280 127.600 > 7 67 Te 0.33333333333333 0.66666666666667 0.46786134379280 127.600 > 7 68 Te 0.83333333333333 0.66666666666667 0.46786134379280 127.600 > 7 69 Te 0.00000000000000 0.00000000000000 0.86547198954053 127.600 > 4 70 Te 0.50000000000000 0.00000000000000 0.86547198954053 127.600 > 4 71 Te 0.00000000000000 0.50000000000000 0.86547198954053 127.600 > 4 72 Te 0.50000000000000 0.50000000000000 0.86547198954053 127.600 > 4 73 Te 0.00000000000000 0.00000000000000 0.71094007875010 127.600 > 5 74 Te 0.50000000000000 0.00000000000000 0.71094007875010 127.600 > 5 75 Te 0.00000000000000 0.50000000000000 0.71094007875010 127.600 > 5 76 Te 0.50000000000000 0.50000000000000 0.71094007875010 127.600 > 5 77 Te 0.16666666666667 0.33333333333333 0.95572658791657 127.600 > 6 78 Te 0.66666666666667 0.33333333333333 0.95572658791657 127.600 > 6 79 Te 0.16666666666667 0.83333333333333 0.95572658791657 127.600 > 6 80 Te 0.66666666666667 0.83333333333333 0.95572658791657 127.600 > 6 81 Te 0.16666666666667 0.33333333333333 0.80119467712614 127.600 > 7 82 Te 0.66666666666667 0.33333333333333 0.80119467712614 127.600 > 7 83 Te 0.16666666666667 0.83333333333333 0.80119467712614 127.600 > 7 84 Te 0.66666666666667 0.83333333333333 0.80119467712614 127.600 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 42.9938617 0.0000000 0.0000000 0.0000000 42.9938617 0.0000000 0.0000000 0.0000000 44.7929593 -------------------------- Born effective charges -------------------------- 1 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 2 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 3 Sn 6.6444458 0.0000000 0.0000000 0.0000000 6.6444458 0.0000000 0.0000000 0.0000000 4.2522497 4 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 5 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 6 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 7 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 397 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.133 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.139 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 397 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), 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 09:31:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.197337941411898 1.268633651974735 13.782484429999984 b -2.197337941411893 1.268633651974735 13.782484429999984 c 0.000000000000002 -2.537267303949473 13.782484429999984 Atomic positions (fractional): 1 Bi 0.57347563887394 0.57347563887395 0.57347563887394 208.980 2 Bi 0.42652436112605 0.42652436112606 0.42652436112606 208.980 3 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 4 Te 0.86547198954053 0.86547198954053 0.86547198954053 127.600 5 Te 0.71094007875010 0.71094007875010 0.71094007875010 127.600 6 Te 0.28905992124990 0.28905992124990 0.28905992124990 127.600 7 Te 0.13452801045947 0.13452801045947 0.13452801045947 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.789351765647583 0.000000000000000 0.000000000000000 b -4.394675882823792 7.611801911848416 0.000000000000000 c 0.000000000000000 0.000000000000000 41.347453289999997 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.24014230554061 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.24014230554061 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.24014230554061 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.24014230554061 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09319102779272 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09319102779272 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09319102779272 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09319102779272 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57347563887394 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57347563887394 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57347563887394 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57347563887394 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42652436112606 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42652436112606 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42652436112606 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42652436112606 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90680897220728 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90680897220728 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90680897220728 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90680897220728 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.75985769445939 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.75985769445939 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.75985769445939 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.75985769445939 208.980 > 5 25 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 25 27 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 25 28 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 25 29 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 25 30 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 25 31 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 25 32 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 25 33 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 25 34 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 25 35 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 25 36 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 25 37 Te 0.33333333333333 0.16666666666667 0.19880532287386 127.600 > 37 38 Te 0.83333333333333 0.16666666666667 0.19880532287386 127.600 > 37 39 Te 0.33333333333333 0.66666666666667 0.19880532287386 127.600 > 37 40 Te 0.83333333333333 0.66666666666667 0.19880532287386 127.600 > 37 41 Te 0.33333333333333 0.16666666666667 0.04427341208343 127.600 > 41 42 Te 0.83333333333333 0.16666666666667 0.04427341208343 127.600 > 41 43 Te 0.33333333333333 0.66666666666667 0.04427341208343 127.600 > 41 44 Te 0.83333333333333 0.66666666666667 0.04427341208343 127.600 > 41 45 Te 0.00000000000000 0.00000000000000 0.28905992124990 127.600 > 45 46 Te 0.50000000000000 0.00000000000000 0.28905992124990 127.600 > 45 47 Te 0.00000000000000 0.50000000000000 0.28905992124990 127.600 > 45 48 Te 0.50000000000000 0.50000000000000 0.28905992124990 127.600 > 45 49 Te 0.00000000000000 0.00000000000000 0.13452801045947 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.13452801045947 127.600 > 49 51 Te 0.00000000000000 0.50000000000000 0.13452801045947 127.600 > 49 52 Te 0.50000000000000 0.50000000000000 0.13452801045947 127.600 > 49 53 Te 0.16666666666667 0.33333333333333 0.53213865620720 127.600 > 37 54 Te 0.66666666666667 0.33333333333333 0.53213865620720 127.600 > 37 55 Te 0.16666666666667 0.83333333333333 0.53213865620720 127.600 > 37 56 Te 0.66666666666667 0.83333333333333 0.53213865620720 127.600 > 37 57 Te 0.16666666666667 0.33333333333333 0.37760674541676 127.600 > 41 58 Te 0.66666666666667 0.33333333333333 0.37760674541676 127.600 > 41 59 Te 0.16666666666667 0.83333333333333 0.37760674541676 127.600 > 41 60 Te 0.66666666666667 0.83333333333333 0.37760674541676 127.600 > 41 61 Te 0.33333333333333 0.16666666666667 0.62239325458324 127.600 > 45 62 Te 0.83333333333333 0.16666666666667 0.62239325458324 127.600 > 45 63 Te 0.33333333333333 0.66666666666667 0.62239325458324 127.600 > 45 64 Te 0.83333333333333 0.66666666666667 0.62239325458324 127.600 > 45 65 Te 0.33333333333333 0.16666666666667 0.46786134379280 127.600 > 49 66 Te 0.83333333333333 0.16666666666667 0.46786134379280 127.600 > 49 67 Te 0.33333333333333 0.66666666666667 0.46786134379280 127.600 > 49 68 Te 0.83333333333333 0.66666666666667 0.46786134379280 127.600 > 49 69 Te 0.00000000000000 0.00000000000000 0.86547198954053 127.600 > 37 70 Te 0.50000000000000 0.00000000000000 0.86547198954053 127.600 > 37 71 Te 0.00000000000000 0.50000000000000 0.86547198954053 127.600 > 37 72 Te 0.50000000000000 0.50000000000000 0.86547198954053 127.600 > 37 73 Te 0.00000000000000 0.00000000000000 0.71094007875010 127.600 > 41 74 Te 0.50000000000000 0.00000000000000 0.71094007875010 127.600 > 41 75 Te 0.00000000000000 0.50000000000000 0.71094007875010 127.600 > 41 76 Te 0.50000000000000 0.50000000000000 0.71094007875010 127.600 > 41 77 Te 0.16666666666667 0.33333333333333 0.95572658791657 127.600 > 45 78 Te 0.66666666666667 0.33333333333333 0.95572658791657 127.600 > 45 79 Te 0.16666666666667 0.83333333333333 0.95572658791657 127.600 > 45 80 Te 0.66666666666667 0.83333333333333 0.95572658791657 127.600 > 45 81 Te 0.16666666666667 0.33333333333333 0.80119467712614 127.600 > 49 82 Te 0.66666666666667 0.33333333333333 0.80119467712614 127.600 > 49 83 Te 0.16666666666667 0.83333333333333 0.80119467712614 127.600 > 49 84 Te 0.66666666666667 0.83333333333333 0.80119467712614 127.600 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 42.9938617 0.0000000 0.0000000 0.0000000 42.9938617 0.0000000 0.0000000 0.0000000 44.7929593 -------------------------- Born effective charges -------------------------- 1 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 2 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 3 Sn 6.6444458 0.0000000 0.0000000 0.0000000 6.6444458 0.0000000 0.0000000 0.0000000 4.2522497 4 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 5 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 6 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 7 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000015 (yzy) -0.00000015 (yzy) -0.00000015 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.197337941411898 1.268633651974735 13.782484429999984 b -2.197337941411893 1.268633651974735 13.782484429999984 c 0.000000000000002 -2.537267303949473 13.782484429999984 Atomic positions (fractional): 1 Bi 0.57347563887394 0.57347563887395 0.57347563887394 208.980 2 Bi 0.42652436112605 0.42652436112606 0.42652436112606 208.980 3 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 4 Te 0.86547198954053 0.86547198954053 0.86547198954053 127.600 5 Te 0.71094007875010 0.71094007875010 0.71094007875010 127.600 6 Te 0.28905992124990 0.28905992124990 0.28905992124990 127.600 7 Te 0.13452801045947 0.13452801045947 0.13452801045947 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.789351765647583 0.000000000000000 0.000000000000000 b -4.394675882823792 7.611801911848416 0.000000000000000 c 0.000000000000000 0.000000000000000 41.347453289999997 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.24014230554061 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.24014230554061 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.24014230554061 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.24014230554061 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09319102779272 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09319102779272 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09319102779272 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09319102779272 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57347563887394 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57347563887394 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57347563887394 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57347563887394 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42652436112606 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42652436112606 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42652436112606 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42652436112606 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90680897220728 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90680897220728 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90680897220728 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90680897220728 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.75985769445939 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.75985769445939 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.75985769445939 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.75985769445939 208.980 > 5 25 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 25 27 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 25 28 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 25 29 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 25 30 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 25 31 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 25 32 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 25 33 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 25 34 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 25 35 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 25 36 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 25 37 Te 0.33333333333333 0.16666666666667 0.19880532287386 127.600 > 37 38 Te 0.83333333333333 0.16666666666667 0.19880532287386 127.600 > 37 39 Te 0.33333333333333 0.66666666666667 0.19880532287386 127.600 > 37 40 Te 0.83333333333333 0.66666666666667 0.19880532287386 127.600 > 37 41 Te 0.33333333333333 0.16666666666667 0.04427341208343 127.600 > 41 42 Te 0.83333333333333 0.16666666666667 0.04427341208343 127.600 > 41 43 Te 0.33333333333333 0.66666666666667 0.04427341208343 127.600 > 41 44 Te 0.83333333333333 0.66666666666667 0.04427341208343 127.600 > 41 45 Te 0.00000000000000 0.00000000000000 0.28905992124990 127.600 > 45 46 Te 0.50000000000000 0.00000000000000 0.28905992124990 127.600 > 45 47 Te 0.00000000000000 0.50000000000000 0.28905992124990 127.600 > 45 48 Te 0.50000000000000 0.50000000000000 0.28905992124990 127.600 > 45 49 Te 0.00000000000000 0.00000000000000 0.13452801045947 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.13452801045947 127.600 > 49 51 Te 0.00000000000000 0.50000000000000 0.13452801045947 127.600 > 49 52 Te 0.50000000000000 0.50000000000000 0.13452801045947 127.600 > 49 53 Te 0.16666666666667 0.33333333333333 0.53213865620720 127.600 > 37 54 Te 0.66666666666667 0.33333333333333 0.53213865620720 127.600 > 37 55 Te 0.16666666666667 0.83333333333333 0.53213865620720 127.600 > 37 56 Te 0.66666666666667 0.83333333333333 0.53213865620720 127.600 > 37 57 Te 0.16666666666667 0.33333333333333 0.37760674541676 127.600 > 41 58 Te 0.66666666666667 0.33333333333333 0.37760674541676 127.600 > 41 59 Te 0.16666666666667 0.83333333333333 0.37760674541676 127.600 > 41 60 Te 0.66666666666667 0.83333333333333 0.37760674541676 127.600 > 41 61 Te 0.33333333333333 0.16666666666667 0.62239325458324 127.600 > 45 62 Te 0.83333333333333 0.16666666666667 0.62239325458324 127.600 > 45 63 Te 0.33333333333333 0.66666666666667 0.62239325458324 127.600 > 45 64 Te 0.83333333333333 0.66666666666667 0.62239325458324 127.600 > 45 65 Te 0.33333333333333 0.16666666666667 0.46786134379280 127.600 > 49 66 Te 0.83333333333333 0.16666666666667 0.46786134379280 127.600 > 49 67 Te 0.33333333333333 0.66666666666667 0.46786134379280 127.600 > 49 68 Te 0.83333333333333 0.66666666666667 0.46786134379280 127.600 > 49 69 Te 0.00000000000000 0.00000000000000 0.86547198954053 127.600 > 37 70 Te 0.50000000000000 0.00000000000000 0.86547198954053 127.600 > 37 71 Te 0.00000000000000 0.50000000000000 0.86547198954053 127.600 > 37 72 Te 0.50000000000000 0.50000000000000 0.86547198954053 127.600 > 37 73 Te 0.00000000000000 0.00000000000000 0.71094007875010 127.600 > 41 74 Te 0.50000000000000 0.00000000000000 0.71094007875010 127.600 > 41 75 Te 0.00000000000000 0.50000000000000 0.71094007875010 127.600 > 41 76 Te 0.50000000000000 0.50000000000000 0.71094007875010 127.600 > 41 77 Te 0.16666666666667 0.33333333333333 0.95572658791657 127.600 > 45 78 Te 0.66666666666667 0.33333333333333 0.95572658791657 127.600 > 45 79 Te 0.16666666666667 0.83333333333333 0.95572658791657 127.600 > 45 80 Te 0.66666666666667 0.83333333333333 0.95572658791657 127.600 > 45 81 Te 0.16666666666667 0.33333333333333 0.80119467712614 127.600 > 49 82 Te 0.66666666666667 0.33333333333333 0.80119467712614 127.600 > 49 83 Te 0.16666666666667 0.83333333333333 0.80119467712614 127.600 > 49 84 Te 0.66666666666667 0.83333333333333 0.80119467712614 127.600 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 42.9938617 0.0000000 0.0000000 0.0000000 42.9938617 0.0000000 0.0000000 0.0000000 44.7929593 -------------------------- Born effective charges -------------------------- 1 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 2 Bi 7.7903978 0.0000000 0.0000000 0.0000000 7.7903978 0.0000000 0.0000000 0.0000000 3.5662617 3 Sn 6.6444458 0.0000000 0.0000000 0.0000000 6.6444458 0.0000000 0.0000000 0.0000000 4.2522497 4 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 5 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 6 Te -6.3673762 0.0000000 0.0000000 0.0000000 -6.3673762 0.0000000 0.0000000 0.0000000 -4.9007619 7 Te -4.7452444 0.0000000 0.0000000 0.0000000 -4.7452444 0.0000000 0.0000000 0.0000000 -0.7916246 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000015 (yzy) -0.00000015 (yzy) -0.00000015 (yyz) 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 ... [ 13 13 13 ] 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: 0.68, Number of G-points: 271, Lambda: 0.47 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 14.319 8.267 -1.488) 16.601 0.441 ( 18.107 10.454 -1.293) 20.948 0.606 ( 24.695 14.258 3.067) 28.680 0.989 ( 2.953 1.705 -0.145) 3.413 1.049 ( 7.414 4.280 -1.647) 8.718 1.362 ( -1.160 -0.670 -0.698) 1.511 1.685 ( 0.195 0.112 0.366) 0.429 1.756 ( 2.724 1.573 -0.372) 3.168 2.121 ( 4.953 2.860 2.189) 6.124 2.375 ( -1.047 -0.605 0.337) 1.255 2.895 ( -2.574 -1.486 -0.735) 3.062 2.928 ( -0.363 -0.210 -0.209) 0.469 3.212 ( -2.182 -1.260 -2.172) 3.326 3.237 ( -1.257 -0.726 1.453) 2.054 3.260 ( 0.905 0.522 1.004) 1.449 3.269 ( 2.771 1.600 -2.817) 4.263 3.293 ( -2.556 -1.476 -2.140) 3.645 3.515 ( 2.359 1.362 -14.802) 15.050 3.597 ( -1.763 -1.018 9.701) 9.912 4.151 ( -5.779 -3.337 -5.606) 8.715 4.199 ( -4.686 -2.706 5.718) 7.873 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 13.002 7.507 -2.070) 15.155 0.821 ( 14.316 8.265 -1.995) 16.651 1.075 ( 3.926 2.267 0.560) 4.568 1.120 ( 16.490 9.520 1.740) 19.120 1.238 ( 8.398 4.849 -5.581) 11.189 1.367 ( 3.437 1.984 4.150) 5.742 1.690 ( 0.287 0.166 0.142) 0.361 1.842 ( 4.882 2.818 -0.595) 5.668 2.287 ( 8.375 4.836 3.421) 10.258 2.344 ( -1.380 -0.797 -0.521) 1.676 2.823 ( -3.012 -1.739 -0.963) 3.609 2.897 ( -2.232 -1.289 -0.673) 2.663 3.127 ( -4.739 -2.736 -1.868) 5.782 3.187 ( -4.565 -2.636 -3.494) 6.324 3.199 ( -2.053 -1.185 0.561) 2.436 3.282 ( 0.035 0.020 -0.997) 0.998 3.345 ( 1.926 1.112 1.553) 2.712 3.477 ( -4.505 -2.601 8.483) 9.951 3.628 ( 3.852 2.224 -9.940) 10.889 3.957 ( -9.356 -5.402 -4.457) 11.687 4.061 ( -7.539 -4.352 4.885) 9.982 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 10.111 5.838 -3.473) 12.181 1.083 ( 7.926 4.576 -2.643) 9.526 1.156 ( 2.803 1.618 1.525) 3.578 1.251 ( -0.230 -0.133 2.142) 2.158 1.455 ( 9.115 5.262 -2.748) 10.878 1.552 ( 6.686 3.860 2.240) 8.038 1.708 ( 1.547 0.893 -0.204) 1.798 2.010 ( 9.871 5.699 -0.375) 11.404 2.317 ( -0.621 -0.359 -1.294) 1.480 2.499 ( 8.650 4.994 2.941) 10.412 2.772 ( -0.835 -0.482 -0.613) 1.142 2.825 ( -3.800 -2.194 -0.809) 4.462 2.988 ( -6.686 -3.860 -1.496) 7.864 3.076 ( -3.967 -2.290 -3.417) 5.715 3.149 ( -2.165 -1.250 0.186) 2.506 3.241 ( -5.929 -3.423 0.376) 6.857 3.277 ( -4.659 -2.690 -0.527) 5.405 3.440 ( -0.378 -0.218 3.806) 3.831 3.634 ( -6.028 -3.480 -2.903) 7.542 3.789 ( -0.593 -0.342 -2.904) 2.984 3.891 ( -7.052 -4.071 3.286) 8.780 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 7.528 4.347 -4.868) 9.963 1.140 ( -1.303 -0.752 0.789) 1.699 1.205 ( -4.226 -2.440 4.202) 6.440 1.245 ( 3.724 2.150 -1.926) 4.712 1.614 ( -0.137 -0.079 -0.079) 0.177 1.651 ( 7.991 4.614 -1.482) 9.346 1.763 ( 2.981 1.721 -0.160) 3.446 2.173 ( -0.222 -0.128 -1.633) 1.653 2.363 ( 6.155 3.554 0.175) 7.110 2.670 ( 5.099 2.944 1.242) 6.018 2.724 ( -4.136 -2.388 -1.187) 4.921 2.756 ( -3.433 -1.982 -1.526) 4.248 2.863 ( -0.328 -0.189 0.555) 0.672 2.965 ( -6.740 -3.891 -2.842) 8.285 3.084 ( -2.516 -1.452 2.466) 3.810 3.105 ( -1.605 -0.927 0.445) 1.906 3.197 ( -3.359 -1.939 -3.591) 5.286 3.404 ( -3.536 -2.042 1.680) 4.415 3.434 ( -8.313 -4.800 0.587) 9.618 3.769 ( -3.590 -2.073 1.909) 4.564 3.828 ( 2.033 1.174 -1.046) 2.570 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -6.254 -3.611 3.007) 7.822 1.083 ( -3.048 -1.760 0.462) 3.550 1.255 ( 5.328 3.076 -5.229) 8.075 1.301 ( 1.600 0.924 -1.501) 2.380 1.588 ( -1.286 -0.742 0.834) 1.703 1.815 ( 5.393 3.114 -1.873) 6.504 1.831 ( 2.561 1.478 -0.074) 2.958 2.056 ( -7.208 -4.161 -0.721) 8.354 2.435 ( -1.024 -0.591 0.374) 1.241 2.607 ( -6.094 -3.519 -1.495) 7.194 2.660 ( -2.464 -1.422 -0.669) 2.923 2.767 ( 2.693 1.555 1.078) 3.291 2.868 ( 1.046 0.604 1.149) 1.667 2.940 ( 4.041 2.333 -0.245) 4.673 3.079 ( -0.703 -0.406 1.115) 1.380 3.094 ( 0.390 0.225 -1.857) 1.910 3.107 ( -2.809 -1.622 -2.214) 3.927 3.267 ( -4.496 -2.596 -0.447) 5.210 3.325 ( -3.766 -2.174 2.656) 5.096 3.718 ( -1.347 -0.778 0.754) 1.728 3.858 ( 0.591 0.341 -0.047) 0.684 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.167 -1.829 1.091) 3.817 1.025 ( -1.482 -0.856 0.062) 1.713 1.323 ( 0.480 0.277 -0.494) 0.743 1.336 ( 2.036 1.175 -2.588) 3.496 1.580 ( 0.389 0.225 1.233) 1.312 1.811 ( -3.889 -2.245 -2.875) 5.332 1.873 ( 0.943 0.544 -0.040) 1.089 1.978 ( 0.680 0.393 0.975) 1.252 2.406 ( -0.746 -0.431 1.345) 1.597 2.499 ( -2.484 -1.434 -0.528) 2.916 2.596 ( -1.842 -1.064 -0.158) 2.133 2.811 ( 0.911 0.526 0.504) 1.166 2.927 ( 1.367 0.789 0.058) 1.580 3.010 ( 1.751 1.011 -0.925) 2.224 3.036 ( -0.981 -0.566 -1.490) 1.872 3.072 ( -0.254 -0.147 1.115) 1.153 3.098 ( -0.561 -0.324 -0.822) 1.047 3.228 ( 0.192 0.111 0.082) 0.236 3.264 ( -1.585 -0.915 1.279) 2.233 3.700 ( -0.372 -0.215 0.159) 0.458 3.862 ( -0.074 -0.043 0.074) 0.113 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -0.000 16.718 2.898) 16.967 0.456 ( -0.000 20.810 4.024) 21.196 0.597 ( 0.000 28.445 -0.343) 28.447 0.983 ( 0.000 3.229 -2.317) 3.974 1.049 ( 0.000 8.786 -1.467) 8.907 1.356 ( 0.000 -1.552 -2.787) 3.190 1.684 ( -0.000 0.198 0.142) 0.244 1.755 ( 0.000 3.127 -0.578) 3.180 2.124 ( -0.000 5.601 3.354) 6.529 2.376 ( -0.000 -1.089 0.876) 1.398 2.896 ( 0.000 -2.879 -0.217) 2.888 2.927 ( 0.000 -0.245 -0.599) 0.648 3.205 ( 0.000 -2.317 -3.843) 4.488 3.240 ( 0.000 2.315 -6.462) 6.865 3.241 ( -0.000 -1.652 2.182) 2.737 3.276 ( 0.000 -1.881 -8.065) 8.281 3.284 ( -0.000 1.518 1.005) 1.821 3.433 ( 0.000 3.647 -21.906) 22.207 3.674 ( -0.000 -1.471 17.647) 17.708 4.142 ( 0.000 -6.057 -6.620) 8.973 4.207 ( -0.000 -6.153 6.392) 8.872 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 6.649 13.963 1.851) 15.575 0.759 ( 8.321 17.052 0.836) 18.992 0.984 ( 11.717 18.035 0.277) 21.509 1.058 ( 4.029 5.629 -1.820) 7.157 1.174 ( 3.913 8.524 -3.767) 10.107 1.345 ( 1.225 0.217 -0.130) 1.251 1.691 ( 0.324 0.457 0.265) 0.620 1.811 ( 2.352 4.027 -1.037) 4.778 2.240 ( 4.366 7.104 4.756) 9.599 2.356 ( -1.030 -1.261 0.575) 1.727 2.836 ( -2.360 -3.553 -0.854) 4.350 2.910 ( -1.131 -1.695 -0.384) 2.073 3.159 ( -1.172 -2.885 -4.230) 5.253 3.193 ( -2.258 -3.306 -2.921) 4.956 3.216 ( -1.832 -3.309 -2.133) 4.343 3.303 ( -0.526 2.097 -0.202) 2.172 3.304 ( 3.351 1.589 -0.073) 3.709 3.482 ( 5.340 -0.835 -7.520) 9.261 3.633 ( -5.691 1.365 5.934) 8.334 4.011 ( -5.264 -7.981 -5.213) 10.890 4.107 ( -3.834 -8.218 4.784) 10.253 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 7.853 9.672 -0.146) 12.460 1.038 ( 6.285 11.685 -1.838) 13.395 1.152 ( 2.749 4.578 0.635) 5.377 1.244 ( 2.448 2.992 -2.675) 4.702 1.353 ( 8.028 7.099 -2.471) 10.998 1.472 ( 7.690 6.403 3.297) 10.536 1.711 ( 0.612 2.127 0.126) 2.217 1.928 ( 6.121 6.373 -0.826) 8.875 2.312 ( -0.979 -1.878 -0.503) 2.177 2.425 ( 6.457 6.400 4.084) 9.967 2.758 ( -1.503 -3.853 -1.039) 4.264 2.860 ( -2.080 -1.729 -0.246) 2.716 3.073 ( -5.423 -2.240 -2.613) 6.423 3.103 ( -2.853 -3.680 -3.903) 6.076 3.144 ( -1.548 -3.869 -0.456) 4.192 3.288 ( -2.063 0.364 -2.229) 3.059 3.353 ( -0.776 -0.706 1.797) 2.081 3.477 ( -5.217 -1.004 4.924) 7.244 3.613 ( 3.430 -0.800 -4.885) 6.022 3.808 ( -6.441 -7.312 -2.889) 10.164 3.944 ( -5.357 -8.373 3.113) 10.416 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 6.465 5.844 -2.420) 9.045 1.182 ( -0.453 4.075 -0.736) 4.165 1.232 ( 2.111 5.627 0.120) 6.011 1.276 ( -1.612 2.918 1.050) 3.496 1.544 ( 8.155 4.215 -1.590) 9.316 1.600 ( 2.120 0.539 0.341) 2.214 1.758 ( 1.173 3.956 0.027) 4.126 2.133 ( 6.139 5.352 -1.188) 8.231 2.290 ( 2.747 -1.381 -0.569) 3.127 2.595 ( 6.058 2.963 2.387) 7.154 2.709 ( 0.162 -3.654 -0.843) 3.754 2.817 ( -2.123 1.063 0.045) 2.374 2.934 ( -7.205 -1.318 -1.753) 7.531 3.006 ( -3.233 -3.289 -2.805) 5.398 3.090 ( -0.327 -3.137 -0.666) 3.224 3.218 ( -10.343 -1.131 1.544) 10.518 3.233 ( -3.133 -0.857 -2.875) 4.338 3.423 ( -1.182 -2.735 2.782) 4.076 3.529 ( -7.936 -5.105 -0.861) 9.475 3.753 ( 4.692 -3.256 -0.715) 5.756 3.791 ( -3.357 -6.201 1.146) 7.144 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -2.251 0.058 0.544) 2.316 1.188 ( 2.654 3.425 -3.672) 5.679 1.239 ( -6.763 4.909 1.748) 8.538 1.314 ( 0.476 4.956 -1.326) 5.152 1.603 ( -0.595 -0.543 0.295) 0.858 1.718 ( 7.649 2.219 -0.831) 8.007 1.825 ( 1.599 4.028 -0.120) 4.335 2.109 ( -4.794 -4.825 -1.487) 6.962 2.404 ( 4.489 0.270 -0.684) 4.549 2.673 ( -1.875 -1.154 -1.291) 2.552 2.699 ( 3.256 1.006 0.361) 3.427 2.749 ( -5.942 0.578 -0.400) 5.983 2.874 ( 1.547 -0.258 1.408) 2.108 2.911 ( -3.187 -0.888 -0.200) 3.315 3.070 ( 0.020 -1.711 -1.589) 2.335 3.101 ( -1.820 1.307 -0.060) 2.241 3.163 ( -3.135 -0.418 -1.369) 3.446 3.329 ( -6.827 -3.994 -1.375) 8.028 3.363 ( -3.691 -3.897 3.185) 6.241 3.706 ( -0.314 -4.611 0.910) 4.710 3.801 ( 3.939 -3.529 -0.387) 5.303 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -5.540 0.908 1.075) 5.716 1.162 ( -7.997 7.216 1.395) 10.861 1.278 ( 3.882 1.434 -4.902) 6.415 1.351 ( -0.908 3.475 -0.092) 3.593 1.593 ( -0.646 1.121 1.258) 1.805 1.818 ( 1.577 -0.922 -2.359) 2.983 1.883 ( 0.370 2.868 -0.796) 3.000 1.966 ( -2.680 -4.008 0.549) 4.853 2.415 ( -0.444 -1.002 0.695) 1.298 2.584 ( -6.311 1.504 -0.617) 6.517 2.646 ( -4.130 0.527 -0.509) 4.194 2.798 ( 2.694 1.124 0.948) 3.069 2.899 ( 2.485 1.086 0.952) 2.874 2.930 ( 3.483 -2.959 0.098) 4.571 3.046 ( -0.354 -0.498 -3.350) 3.406 3.089 ( -0.911 -0.265 0.457) 1.053 3.133 ( -3.014 1.822 -0.887) 3.632 3.218 ( -0.203 -2.145 0.194) 2.164 3.277 ( -2.353 -3.196 2.062) 4.472 3.674 ( 1.071 -3.660 0.185) 3.818 3.817 ( 2.639 -4.165 -0.150) 4.932 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -2.584 4.174 0.616) 4.948 1.127 ( -5.731 9.582 0.753) 11.191 1.328 ( 1.832 -0.524 -2.132) 2.859 1.354 ( -1.823 2.035 1.050) 2.928 1.599 ( -1.182 1.314 -0.156) 1.774 1.786 ( 0.362 0.944 0.159) 1.023 1.897 ( -0.954 1.740 0.038) 1.985 1.953 ( 1.500 -3.087 0.037) 3.432 2.404 ( -0.393 0.188 -0.576) 0.722 2.532 ( -2.467 4.409 0.699) 5.100 2.609 ( -1.285 2.373 -0.081) 2.699 2.824 ( -0.471 0.419 -0.668) 0.919 2.931 ( 0.309 -0.452 0.381) 0.667 2.944 ( 2.466 -4.456 0.048) 5.093 3.057 ( 1.587 0.678 -2.849) 3.331 3.075 ( -1.437 -0.528 2.886) 3.267 3.101 ( 0.143 0.831 0.716) 1.106 3.222 ( 0.197 -0.516 -0.225) 0.596 3.236 ( 0.671 -1.970 -0.213) 2.092 3.665 ( 1.777 -3.123 -0.206) 3.599 3.817 ( 2.434 -4.206 -0.307) 4.869 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 1.602 5.479 -0.107) 5.710 1.157 ( -2.654 10.436 -0.327) 10.773 1.303 ( -2.696 -2.616 3.903) 5.417 1.349 ( -1.835 2.339 -0.782) 3.074 1.587 ( -0.593 1.300 -0.863) 1.670 1.830 ( -0.489 -2.482 1.608) 2.997 1.888 ( -2.766 0.853 0.889) 3.028 1.963 ( 5.562 1.077 -0.624) 5.699 2.411 ( 1.275 0.407 -0.703) 1.512 2.591 ( 2.068 6.444 1.678) 6.972 2.648 ( 1.687 3.908 0.292) 4.267 2.790 ( -2.287 -1.901 -1.585) 3.369 2.893 ( -2.324 -2.221 -1.193) 3.429 2.930 ( 0.625 -4.442 0.244) 4.492 3.062 ( 0.280 -0.310 1.801) 1.848 3.090 ( 1.497 1.484 1.047) 2.353 3.141 ( -0.830 3.501 1.619) 3.945 3.216 ( 2.426 -0.668 -0.181) 2.523 3.264 ( 3.769 0.026 -2.675) 4.622 3.672 ( 2.528 -2.823 -0.632) 3.842 3.817 ( 2.348 -4.326 -0.285) 4.931 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.507 3.054 -0.276) 3.417 1.203 ( -3.876 -0.628 1.336) 4.148 1.233 ( -2.451 7.239 0.048) 7.643 1.320 ( -4.031 1.819 0.762) 4.488 1.603 ( 0.873 0.514 0.176) 1.028 1.721 ( -5.508 -5.826 0.552) 8.037 1.826 ( -4.333 0.571 0.290) 4.380 2.115 ( 6.811 1.735 0.473) 7.044 2.410 ( -2.745 -3.465 1.457) 4.654 2.679 ( 1.671 0.692 0.926) 2.032 2.697 ( -2.841 -3.057 -0.336) 4.187 2.753 ( 3.123 6.451 0.819) 7.214 2.867 ( -0.184 -1.509 -1.290) 1.994 2.913 ( 3.014 2.711 0.322) 4.067 3.075 ( 0.847 -0.664 0.242) 1.103 3.101 ( -0.826 1.904 -0.197) 2.084 3.174 ( 2.623 2.629 2.701) 4.592 3.337 ( 6.914 3.979 1.705) 8.157 3.342 ( 5.111 1.038 -4.348) 6.790 3.699 ( 3.929 -2.174 -1.514) 4.739 3.803 ( 1.316 -5.000 0.439) 5.189 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -8.319 -3.555 3.055) 9.548 1.181 ( -1.786 2.801 -1.322) 3.575 1.234 ( -7.128 0.458 0.955) 7.206 1.267 ( -1.776 3.933 -2.069) 4.786 1.551 ( -7.204 -5.416 0.861) 9.054 1.600 ( -2.114 -1.319 0.344) 2.516 1.758 ( -4.012 0.856 0.160) 4.106 2.138 ( -8.111 -2.862 0.846) 8.643 2.293 ( 0.173 -2.864 0.374) 2.894 2.585 ( -6.176 -3.912 -1.056) 7.387 2.713 ( 3.143 -2.084 0.429) 3.796 2.817 ( 0.345 2.195 -0.061) 2.223 2.942 ( 4.870 6.081 1.158) 7.876 3.021 ( 4.829 0.295 2.340) 5.375 3.090 ( 2.966 -0.619 -0.619) 3.092 3.209 ( 5.685 8.772 -1.351) 10.539 3.252 ( 2.320 2.145 3.672) 4.844 3.404 ( 2.873 -0.380 -3.689) 4.692 3.532 ( 8.910 4.177 0.367) 9.848 3.754 ( 2.770 -4.522 -0.387) 5.318 3.787 ( 4.904 -1.115 -0.026) 5.030 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -12.421 -3.083 1.605) 12.898 1.048 ( -13.575 -0.240 1.870) 13.706 1.145 ( -4.741 0.545 -1.629) 5.043 1.251 ( -3.506 0.383 -0.463) 3.558 1.366 ( -8.932 -3.741 1.733) 9.837 1.457 ( -10.867 -3.242 -1.836) 11.488 1.710 ( -2.163 0.454 0.023) 2.210 1.931 ( -8.450 -2.016 0.146) 8.688 2.315 ( 1.797 -0.551 0.585) 1.969 2.410 ( -9.032 -2.214 -1.210) 9.378 2.762 ( 4.203 -0.687 0.427) 4.280 2.861 ( 2.655 0.804 0.191) 2.780 3.082 ( 4.694 3.767 0.610) 6.050 3.118 ( 5.253 0.689 1.000) 5.392 3.146 ( 3.937 -0.580 0.367) 3.996 3.301 ( 0.221 1.783 2.521) 3.096 3.341 ( 1.144 0.431 -2.389) 2.684 3.452 ( 2.410 4.644 -4.091) 6.642 3.637 ( 0.726 -3.886 3.717) 5.426 3.824 ( 10.076 1.670 2.360) 10.483 3.927 ( 9.343 0.839 -2.599) 9.734 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -15.463 -0.000 0.000) 15.463 0.757 ( -19.083 -0.000 0.000) 19.083 0.983 ( -22.142 -0.000 0.000) 22.142 1.063 ( -6.557 -0.000 0.000) 6.557 1.185 ( -9.713 -0.000 0.000) 9.713 1.345 ( 0.167 0.000 -0.000) 0.167 1.690 ( -0.589 -0.000 0.000) 0.589 1.814 ( -4.674 -0.000 0.000) 4.674 2.226 ( -8.503 -0.000 0.000) 8.503 2.354 ( 1.437 0.000 -0.000) 1.437 2.838 ( 4.298 0.000 -0.000) 4.298 2.911 ( 2.092 0.000 -0.000) 2.092 3.173 ( 3.448 0.000 -0.000) 3.448 3.196 ( 3.174 0.000 -0.000) 3.174 3.227 ( 5.011 0.000 -0.000) 5.011 3.304 ( -2.075 -0.000 0.000) 2.075 3.304 ( -2.398 -0.000 0.000) 2.398 3.508 ( 1.108 0.000 -0.000) 1.108 3.612 ( -0.814 -0.000 0.000) 0.814 4.030 ( 10.291 0.000 -0.000) 10.291 4.089 ( 8.307 0.000 -0.000) 8.307 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 15.601 4.984) 16.378 0.851 ( -0.000 16.517 3.282) 16.840 1.052 ( 0.000 4.207 -3.437) 5.432 1.090 ( 0.000 16.882 -3.843) 17.314 1.245 ( 0.000 10.637 -4.834) 11.684 1.347 ( -0.000 4.741 1.440) 4.955 1.690 ( -0.000 0.447 0.175) 0.480 1.838 ( 0.000 5.586 -1.225) 5.718 2.297 ( -0.000 9.360 5.067) 10.643 2.354 ( -0.000 -1.411 0.908) 1.678 2.827 ( 0.000 -3.420 -0.084) 3.421 2.900 ( 0.000 -2.468 -0.256) 2.481 3.120 ( 0.000 -4.754 -3.471) 5.886 3.155 ( 0.000 -4.720 -8.270) 9.523 3.199 ( -0.000 -2.971 0.575) 3.026 3.284 ( 0.000 1.847 -0.634) 1.952 3.335 ( 0.000 1.491 -0.174) 1.501 3.398 ( 0.000 -1.827 -5.221) 5.531 3.717 ( -0.000 0.666 5.524) 5.564 3.959 ( 0.000 -9.376 -4.159) 10.257 4.052 ( -0.000 -10.239 2.979) 10.664 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 1.894 12.965 4.404) 13.823 1.067 ( 4.534 11.996 1.054) 12.867 1.117 ( 4.257 3.383 -3.106) 6.263 1.212 ( 4.168 2.324 -5.801) 7.511 1.359 ( 1.034 10.448 -2.576) 10.811 1.469 ( 2.694 10.512 3.219) 11.319 1.712 ( 1.483 1.719 0.266) 2.286 1.926 ( 2.563 8.624 -0.974) 9.049 2.321 ( -1.816 -1.747 0.022) 2.520 2.428 ( 2.620 8.592 4.481) 10.039 2.761 ( -3.049 -3.176 -0.522) 4.433 2.862 ( -0.676 -2.627 -0.041) 2.713 3.064 ( 0.542 -4.855 -3.745) 6.155 3.089 ( -1.367 -4.582 -4.682) 6.692 3.149 ( -2.046 -3.505 0.022) 4.059 3.315 ( 0.406 -0.747 -1.344) 1.590 3.329 ( 0.320 -0.516 1.102) 1.259 3.419 ( 5.205 -3.357 -1.653) 6.410 3.663 ( -5.709 -1.707 0.957) 6.035 3.826 ( -4.366 -6.915 -1.489) 8.312 3.925 ( -2.855 -10.019 1.317) 10.501 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 2.565 8.583 1.976) 9.174 1.187 ( 3.647 2.666 -3.445) 5.681 1.257 ( 2.939 5.991 1.337) 6.806 1.312 ( 3.568 4.791 -1.822) 6.245 1.473 ( 3.552 5.889 -0.617) 6.905 1.580 ( 1.225 2.890 -0.345) 3.158 1.777 ( 2.104 3.928 0.484) 4.482 2.102 ( 5.737 10.440 -0.657) 11.930 2.257 ( -2.151 -3.323 -0.843) 4.048 2.559 ( 3.049 5.273 3.359) 6.956 2.682 ( -1.737 -2.951 -0.867) 3.532 2.841 ( 0.144 -0.162 0.020) 0.218 2.991 ( -3.359 -4.064 -3.695) 6.438 3.031 ( -0.088 -2.856 -1.681) 3.315 3.063 ( -2.997 -3.398 -0.574) 4.567 3.262 ( -2.864 -2.470 -2.254) 4.403 3.324 ( -1.695 -2.969 0.588) 3.469 3.427 ( -1.476 -5.115 2.333) 5.812 3.563 ( 0.144 -3.965 -1.406) 4.210 3.679 ( -5.106 -3.740 0.060) 6.329 3.777 ( -3.357 -7.708 0.414) 8.418 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.906 4.321 -0.502) 4.750 1.231 ( -0.781 1.950 -0.857) 2.269 1.355 ( 1.436 5.559 -0.177) 5.744 1.383 ( -2.116 6.582 -0.344) 6.923 1.595 ( 1.219 -0.189 -0.803) 1.472 1.609 ( 6.021 2.333 0.211) 6.461 1.849 ( 1.087 4.079 0.298) 4.232 2.157 ( -4.982 -1.596 -0.751) 5.285 2.304 ( 7.140 2.742 -1.354) 7.768 2.636 ( 0.836 -1.301 -0.148) 1.554 2.661 ( 2.903 1.159 0.830) 3.235 2.847 ( -2.115 1.311 0.048) 2.489 2.898 ( -2.015 -1.697 -2.628) 3.721 2.946 ( -4.703 -1.766 0.996) 5.122 3.037 ( 1.533 -1.493 -1.619) 2.684 3.169 ( -3.692 -3.377 -0.547) 5.033 3.203 ( -5.064 -2.355 -1.928) 5.908 3.370 ( -1.626 -2.978 3.034) 4.552 3.444 ( -8.407 -3.241 -0.429) 9.020 3.643 ( 2.196 -6.389 1.227) 6.867 3.676 ( 1.786 -5.527 -1.043) 5.902 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.977 2.262 -0.248) 3.748 1.242 ( 0.499 2.867 -2.603) 3.904 1.370 ( -5.494 6.380 -0.326) 8.426 1.411 ( -1.081 4.160 1.046) 4.424 1.618 ( 0.484 2.420 0.146) 2.472 1.739 ( 6.055 0.312 -0.117) 6.065 1.891 ( 0.584 0.965 0.120) 1.135 2.033 ( -7.133 0.229 -0.894) 7.192 2.396 ( 2.206 0.152 -1.021) 2.435 2.639 ( 1.854 -1.655 -1.212) 2.765 2.739 ( 3.014 1.750 0.695) 3.554 2.771 ( -6.476 1.772 -1.099) 6.803 2.856 ( -0.661 -2.217 2.472) 3.385 2.899 ( -0.122 -0.190 0.396) 0.456 3.045 ( 0.084 0.389 -2.419) 2.452 3.102 ( -1.791 -1.712 -0.998) 2.672 3.151 ( 2.071 -1.327 -0.412) 2.493 3.260 ( -8.201 -1.915 -1.610) 8.574 3.303 ( -3.437 -2.675 3.355) 5.498 3.597 ( 1.611 -6.135 0.346) 6.352 3.693 ( 4.792 -6.670 -0.383) 8.221 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -4.507 5.064 0.390) 6.790 1.278 ( 2.082 0.109 -2.966) 3.626 1.345 ( -5.737 8.673 0.639) 10.418 1.418 ( -2.027 2.469 1.622) 3.582 1.644 ( -1.230 3.346 -0.138) 3.568 1.807 ( 1.021 1.332 -0.749) 1.838 1.879 ( 0.798 -4.188 0.454) 4.288 1.961 ( -3.791 4.942 -0.332) 6.237 2.417 ( -0.157 1.348 -0.848) 1.601 2.645 ( -2.299 3.940 0.068) 4.562 2.681 ( -4.706 2.852 -0.234) 5.508 2.811 ( 2.873 -0.240 0.501) 2.926 2.850 ( 2.513 -4.289 1.626) 5.230 2.910 ( 1.300 -0.830 0.062) 1.544 3.036 ( -0.434 -0.157 -3.695) 3.724 3.070 ( 0.363 -1.765 1.253) 2.195 3.134 ( -3.509 -0.529 -0.061) 3.549 3.184 ( 2.098 -2.026 -0.691) 2.997 3.239 ( -1.998 -0.447 1.829) 2.745 3.579 ( 2.821 -5.510 -0.137) 6.191 3.698 ( 4.142 -7.210 -0.497) 8.330 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.125 6.712 0.643) 7.070 1.295 ( 0.628 -1.671 -0.345) 1.818 1.348 ( -4.612 9.667 1.304) 10.790 1.407 ( -1.961 2.610 0.085) 3.265 1.637 ( -2.690 2.942 -1.193) 4.161 1.821 ( -1.162 -1.195 1.537) 2.267 1.874 ( 3.315 -2.316 -0.447) 4.068 1.965 ( -2.074 6.068 0.372) 6.424 2.413 ( -0.974 1.036 -1.507) 2.072 2.650 ( -1.741 4.030 0.977) 4.497 2.687 ( 0.037 6.076 0.925) 6.146 2.799 ( -1.657 -2.561 -1.611) 3.450 2.843 ( 1.612 -5.199 0.255) 5.449 2.910 ( 0.011 -1.497 0.259) 1.519 3.052 ( 1.660 -0.088 -1.817) 2.463 3.075 ( 1.312 0.026 3.236) 3.492 3.140 ( 3.266 1.593 0.996) 3.768 3.187 ( 1.470 -1.646 -0.687) 2.311 3.220 ( -0.895 0.913 -0.906) 1.567 3.577 ( 3.224 -5.250 -0.444) 6.177 3.697 ( 4.222 -7.165 -0.627) 8.340 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.551 5.168 1.412) 5.386 1.259 ( -2.626 -1.248 0.310) 2.924 1.379 ( -3.459 9.008 1.303) 9.737 1.400 ( -2.311 2.608 -0.913) 3.602 1.616 ( -1.861 1.428 -0.236) 2.357 1.737 ( -3.550 -6.033 -0.359) 7.009 1.891 ( -1.074 -0.124 0.015) 1.081 2.041 ( 3.345 5.868 0.366) 6.765 2.410 ( -0.315 -1.116 1.266) 1.717 2.647 ( 0.629 -2.956 0.067) 3.023 2.734 ( -3.257 -1.949 -0.157) 3.799 2.784 ( 1.620 7.128 1.140) 7.398 2.833 ( 2.464 0.314 -1.326) 2.816 2.898 ( 0.184 -0.187 0.152) 0.303 3.056 ( 0.271 -0.887 -0.501) 1.054 3.116 ( 1.252 -0.148 1.302) 1.812 3.165 ( 1.086 -0.195 2.331) 2.579 3.255 ( 4.201 0.839 -5.040) 6.614 3.283 ( 5.096 6.069 2.337) 8.262 3.590 ( 4.161 -4.443 -0.849) 6.146 3.693 ( 3.669 -7.362 -0.285) 8.231 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -5.231 -0.899 1.828) 5.614 1.226 ( -1.229 2.482 -1.453) 3.127 1.356 ( -5.051 1.105 0.010) 5.171 1.387 ( -5.055 5.943 0.305) 7.808 1.597 ( -3.852 -3.968 -0.167) 5.532 1.611 ( -0.980 -1.359 0.269) 1.697 1.847 ( -4.103 0.901 0.048) 4.201 2.161 ( 4.410 3.007 -0.035) 5.338 2.321 ( -6.787 -4.940 1.199) 8.479 2.633 ( -1.882 -1.127 -0.061) 2.195 2.658 ( -0.292 -2.466 -0.165) 2.489 2.842 ( -0.206 2.535 -0.779) 2.660 2.932 ( 3.485 5.487 0.760) 6.544 2.934 ( 4.183 -1.078 1.260) 4.500 3.042 ( 1.035 -2.371 -0.695) 2.679 3.172 ( 5.256 2.990 -0.091) 6.047 3.236 ( 3.413 2.338 3.643) 5.513 3.329 ( 4.245 0.054 -3.781) 5.685 3.446 ( 6.258 5.189 -0.066) 8.130 3.631 ( 4.554 -3.534 -0.811) 5.821 3.685 ( 3.951 -5.240 0.481) 6.580 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -9.198 -0.000 0.000) 9.198 1.211 ( -2.201 -0.000 0.000) 2.201 1.244 ( -8.451 -0.000 0.000) 8.451 1.324 ( -4.973 -0.000 0.000) 4.973 1.475 ( -6.337 -0.000 0.000) 6.337 1.583 ( -4.021 -0.000 0.000) 4.021 1.774 ( -4.420 -0.000 0.000) 4.420 2.106 ( -12.007 -0.000 0.000) 12.007 2.262 ( 3.971 0.000 -0.000) 3.971 2.539 ( -6.710 -0.000 0.000) 6.710 2.687 ( 3.456 0.000 -0.000) 3.456 2.841 ( -0.074 -0.000 0.000) 0.074 3.022 ( 5.719 0.000 -0.000) 5.719 3.033 ( 4.021 0.000 -0.000) 4.021 3.069 ( 3.733 0.000 -0.000) 3.733 3.287 ( 3.976 0.000 -0.000) 3.976 3.309 ( 2.262 0.000 -0.000) 2.262 3.412 ( 5.429 0.000 -0.000) 5.429 3.572 ( 4.115 0.000 -0.000) 4.115 3.679 ( 6.173 0.000 -0.000) 6.173 3.772 ( 7.765 0.000 -0.000) 7.765 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 11.738 5.835) 13.109 1.102 ( 0.000 3.596 -1.813) 4.027 1.140 ( -0.000 8.675 0.965) 8.728 1.153 ( 0.000 -0.892 -8.567) 8.614 1.459 ( 0.000 10.331 -2.695) 10.677 1.563 ( -0.000 8.574 3.226) 9.161 1.712 ( -0.000 1.874 0.108) 1.877 2.009 ( 0.000 12.271 -0.241) 12.273 2.320 ( 0.000 -1.954 -1.341) 2.370 2.512 ( -0.000 9.399 4.124) 10.264 2.778 ( -0.000 -1.067 0.490) 1.174 2.828 ( 0.000 -4.330 -0.617) 4.374 2.993 ( 0.000 -6.598 -1.570) 6.782 3.043 ( 0.000 -3.201 -4.821) 5.787 3.133 ( 0.000 -3.102 -1.270) 3.352 3.243 ( -0.000 -8.687 1.273) 8.780 3.307 ( 0.000 -1.133 -0.483) 1.232 3.380 ( 0.000 -0.219 -1.228) 1.247 3.648 ( 0.000 -9.686 -1.338) 9.778 3.832 ( -0.000 -1.148 1.511) 1.898 3.856 ( 0.000 -7.970 -0.655) 7.997 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.331 8.188 3.861) 9.058 1.126 ( 2.887 0.096 -4.447) 5.302 1.219 ( 7.104 1.241 -2.627) 7.675 1.255 ( 3.793 5.465 0.872) 6.710 1.542 ( -0.877 8.315 -1.773) 8.547 1.617 ( -1.263 3.219 1.141) 3.642 1.764 ( 2.827 3.189 0.406) 4.281 2.141 ( 1.250 8.034 -0.514) 8.147 2.286 ( -2.067 1.566 -1.236) 2.873 2.602 ( -0.053 6.369 2.641) 6.895 2.714 ( -3.935 -1.327 -0.032) 4.153 2.812 ( 1.373 -2.223 -0.528) 2.666 2.941 ( 1.562 -5.986 -1.436) 6.351 3.014 ( -0.701 -0.819 -2.242) 2.488 3.070 ( -1.952 -4.340 -0.861) 4.836 3.205 ( 4.435 -9.078 0.239) 10.106 3.295 ( 0.316 -2.284 -1.565) 2.787 3.359 ( 0.084 -3.453 1.318) 3.697 3.521 ( -2.046 -8.948 -1.657) 9.327 3.748 ( -3.527 -5.578 0.189) 6.603 3.796 ( -4.659 0.200 0.251) 4.670 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -0.105 4.954 1.144) 5.086 1.195 ( 4.535 0.040 -2.087) 4.993 1.350 ( 4.434 3.042 -0.556) 5.406 1.392 ( 7.247 2.605 0.204) 7.704 1.595 ( -1.317 6.305 -0.102) 6.442 1.604 ( -1.354 0.546 -0.894) 1.712 1.852 ( 2.635 2.948 0.398) 3.974 2.151 ( 1.180 -5.463 -0.960) 5.671 2.323 ( -2.028 9.221 -0.757) 9.472 2.633 ( -1.192 -0.784 -0.794) 1.633 2.666 ( -1.229 3.188 1.807) 3.865 2.825 ( 2.602 -1.516 -0.998) 3.172 2.906 ( -0.194 -2.771 -1.749) 3.283 2.981 ( -1.006 -3.392 1.903) 4.017 3.013 ( -0.922 -0.066 -2.224) 2.409 3.161 ( -0.709 -5.532 -0.957) 5.659 3.240 ( -3.028 -4.156 -2.688) 5.802 3.334 ( 1.765 -5.444 3.639) 6.782 3.438 ( 1.776 -6.335 -0.775) 6.625 3.627 ( -4.782 -3.134 0.181) 5.721 3.687 ( -6.977 -0.922 -0.148) 7.039 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.752 2.652 -1.002) 2.933 1.260 ( 2.135 0.780 -0.643) 2.362 1.427 ( 1.488 1.465 0.316) 2.112 1.495 ( -0.743 3.550 -0.614) 3.679 1.616 ( 2.576 2.891 -1.382) 4.111 1.657 ( 3.001 2.743 1.364) 4.288 1.890 ( -0.078 -0.114 0.148) 0.203 2.141 ( 0.489 0.474 0.406) 0.793 2.358 ( 0.138 3.155 -1.558) 3.521 2.590 ( -0.598 -1.723 -1.444) 2.327 2.700 ( 1.425 1.241 0.805) 2.054 2.846 ( -0.070 -1.654 -0.054) 1.657 2.880 ( -0.865 0.940 -0.207) 1.295 2.930 ( -2.671 -0.650 0.658) 2.827 3.019 ( 2.088 -0.475 0.243) 2.155 3.106 ( -1.088 -1.616 -0.755) 2.089 3.122 ( -3.336 -4.124 -3.664) 6.446 3.315 ( 0.571 -4.590 3.023) 5.526 3.375 ( -4.727 -3.261 -0.008) 5.743 3.554 ( -3.365 -4.696 -0.026) 5.777 3.556 ( 0.086 -3.308 -0.398) 3.333 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.625 3.167 -0.676) 3.298 1.275 ( -1.065 0.951 -0.790) 1.632 1.444 ( -0.451 1.638 0.591) 1.799 1.487 ( -2.511 2.247 -0.056) 3.370 1.691 ( 1.015 4.315 -0.907) 4.524 1.735 ( 3.854 -1.039 0.234) 3.998 1.870 ( -0.726 -1.104 0.044) 1.322 2.143 ( -6.096 9.237 0.281) 11.071 2.418 ( 3.013 2.118 -0.225) 3.690 2.607 ( 4.784 -0.784 -0.746) 4.905 2.733 ( 2.467 -1.997 -0.535) 3.218 2.806 ( -3.260 1.336 0.117) 3.526 2.845 ( -3.671 0.213 1.982) 4.178 2.895 ( -1.179 -0.935 0.360) 1.547 3.032 ( -0.903 -3.285 -2.574) 4.270 3.056 ( 1.024 -0.056 0.043) 1.026 3.102 ( 1.797 -2.113 -0.694) 2.859 3.234 ( -6.100 -0.391 -1.534) 6.303 3.280 ( -2.417 -1.294 3.018) 4.078 3.477 ( 1.059 -5.351 0.015) 5.455 3.547 ( 3.640 -6.914 -0.616) 7.838 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -2.662 5.196 -0.109) 5.839 1.262 ( 0.642 -0.646 -0.641) 1.114 1.453 ( -1.272 0.773 0.922) 1.751 1.472 ( -1.153 3.575 0.369) 3.774 1.721 ( -2.363 4.383 -0.948) 5.069 1.763 ( 2.676 -4.911 -0.287) 5.600 1.860 ( -0.103 0.520 0.576) 0.782 2.135 ( -6.809 12.051 0.811) 13.866 2.454 ( -1.751 2.101 -1.662) 3.200 2.698 ( 0.316 -1.232 0.159) 1.281 2.718 ( 1.799 -0.771 -0.186) 1.966 2.788 ( 0.333 0.357 0.548) 0.734 2.808 ( -1.649 -1.842 0.454) 2.514 2.862 ( 1.811 -1.242 0.938) 2.388 3.007 ( 1.064 -0.318 -0.982) 1.482 3.064 ( 0.469 -0.462 -0.227) 0.696 3.108 ( 1.429 -1.928 0.388) 2.431 3.178 ( -1.290 2.589 -0.937) 3.041 3.248 ( -1.049 0.277 1.224) 1.636 3.464 ( 3.023 -5.329 -0.212) 6.130 3.541 ( 4.333 -7.433 -0.752) 8.637 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -1.339 2.723 1.502) 3.386 1.270 ( -0.229 0.157 -1.362) 1.390 1.439 ( -1.068 0.975 0.101) 1.449 1.499 ( -0.943 3.901 1.056) 4.150 1.694 ( -4.195 2.145 -0.533) 4.742 1.729 ( -1.305 -4.287 -0.492) 4.508 1.873 ( 1.049 0.031 0.337) 1.103 2.145 ( -5.095 9.261 0.514) 10.582 2.413 ( -1.710 -1.796 -0.640) 2.561 2.613 ( -1.266 -4.045 -0.332) 4.251 2.741 ( -0.562 -3.276 0.255) 3.334 2.797 ( 0.955 1.841 -0.324) 2.099 2.841 ( 2.009 5.215 1.177) 5.711 2.893 ( 0.662 0.325 0.298) 0.796 3.042 ( 0.159 -1.233 -1.161) 1.701 3.058 ( 3.249 -2.415 0.277) 4.058 3.131 ( 2.123 0.030 1.491) 2.595 3.220 ( 1.269 2.851 -2.830) 4.213 3.270 ( 3.001 2.830 2.128) 4.642 3.474 ( 3.975 -3.413 -0.236) 5.244 3.547 ( 4.200 -6.261 -0.665) 7.569 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.845 -0.000 0.000) 2.845 1.257 ( -0.890 -0.000 0.000) 0.890 1.424 ( -1.899 -0.000 0.000) 1.899 1.502 ( -2.590 -0.000 0.000) 2.590 1.632 ( -3.223 -0.000 0.000) 3.223 1.642 ( -4.430 -0.000 0.000) 4.430 1.889 ( -0.011 -0.000 0.000) 0.011 2.137 ( -0.476 -0.000 0.000) 0.476 2.374 ( -2.030 -0.000 0.000) 2.030 2.607 ( 1.966 0.000 -0.000) 1.966 2.690 ( -2.757 -0.000 0.000) 2.757 2.843 ( 2.229 0.000 -0.000) 2.229 2.884 ( 0.568 0.000 -0.000) 0.568 2.922 ( 1.743 0.000 -0.000) 1.743 3.014 ( -0.208 -0.000 0.000) 0.208 3.109 ( 3.160 0.000 -0.000) 3.160 3.186 ( 3.664 0.000 -0.000) 3.664 3.262 ( 2.897 0.000 -0.000) 2.897 3.376 ( 5.482 0.000 -0.000) 5.482 3.554 ( 5.878 0.000 -0.000) 5.878 3.561 ( 2.619 0.000 -0.000) 2.619 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -1.647 -4.942) 5.209 1.124 ( 0.000 0.159 -0.333) 0.369 1.202 ( -0.000 6.622 3.281) 7.390 1.262 ( 0.000 2.687 -0.717) 2.781 1.610 ( 0.000 3.087 -0.402) 3.113 1.678 ( 0.000 5.604 0.042) 5.604 1.770 ( -0.000 3.686 0.218) 3.692 2.158 ( 0.000 -3.452 -2.645) 4.349 2.369 ( -0.000 10.549 0.725) 10.574 2.669 ( -0.000 4.315 0.823) 4.393 2.730 ( 0.000 -4.542 -0.982) 4.647 2.776 ( -0.000 -1.473 0.190) 1.485 2.877 ( -0.000 -2.262 1.261) 2.589 3.011 ( 0.000 -6.788 -0.180) 6.790 3.013 ( 0.000 -4.684 -1.381) 4.883 3.081 ( 0.000 -1.021 -1.039) 1.457 3.262 ( 0.000 -2.877 -1.848) 3.419 3.326 ( -0.000 -5.150 0.608) 5.186 3.445 ( 0.000 -8.185 -0.548) 8.204 3.731 ( 0.000 -3.421 -0.412) 3.446 3.849 ( -0.000 0.553 0.339) 0.649 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.858 -1.195 -1.538) 4.321 1.188 ( 4.795 0.788 -0.304) 4.869 1.270 ( 2.609 3.161 1.047) 4.230 1.310 ( 3.792 0.714 -1.307) 4.074 1.614 ( -0.309 -0.751 0.834) 1.164 1.715 ( -2.762 6.787 -1.497) 7.479 1.834 ( 2.449 3.323 0.168) 4.131 2.083 ( -0.844 -7.002 -2.164) 7.377 2.444 ( -2.155 5.471 0.734) 5.926 2.665 ( -1.901 -0.106 -1.364) 2.342 2.710 ( 0.304 0.943 0.657) 1.189 2.757 ( 1.926 -3.727 -0.765) 4.264 2.876 ( -0.118 0.574 2.197) 2.274 2.926 ( 1.771 -7.447 0.745) 7.691 3.020 ( -0.680 0.622 -3.657) 3.771 3.104 ( 1.987 0.791 0.542) 2.206 3.228 ( -0.358 -3.285 -3.688) 4.952 3.265 ( -0.043 -5.827 2.550) 6.361 3.365 ( -0.597 -6.026 0.400) 6.068 3.675 ( -3.346 -1.936 -0.001) 3.866 3.805 ( -5.194 0.065 -0.119) 5.196 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 5.726 -1.472 0.052) 5.912 1.226 ( -0.583 1.379 -2.630) 3.026 1.387 ( 4.233 1.155 -0.411) 4.407 1.418 ( 9.102 0.302 1.544) 9.237 1.609 ( 0.795 -0.014 0.171) 0.813 1.724 ( -3.165 6.211 -0.730) 7.009 1.893 ( 0.449 1.035 0.093) 1.132 2.031 ( 4.498 -5.209 -0.897) 6.941 2.420 ( -1.900 -0.665 -0.586) 2.096 2.624 ( -2.922 1.470 -1.213) 3.489 2.740 ( -1.357 4.263 0.468) 4.498 2.772 ( 4.042 -3.284 -1.228) 5.351 2.886 ( 2.481 -4.799 4.380) 6.955 2.909 ( -0.623 1.510 0.603) 1.741 3.001 ( 0.039 -0.479 -3.781) 3.812 3.123 ( -1.229 1.074 -1.704) 2.359 3.151 ( -3.712 -3.041 -1.620) 5.065 3.230 ( 1.304 -4.895 1.709) 5.346 3.326 ( 2.387 -5.156 1.231) 5.814 3.579 ( -5.385 -1.396 0.247) 5.568 3.680 ( -8.449 -0.296 -0.418) 8.464 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.384 0.944 -1.415) 1.744 1.250 ( 3.812 -1.008 0.055) 3.943 1.448 ( 1.445 1.174 0.371) 1.899 1.514 ( 1.220 -0.838 -0.068) 1.482 1.672 ( 4.711 2.337 -0.850) 5.327 1.725 ( -2.325 2.768 0.368) 3.634 1.877 ( -1.097 -0.521 -0.097) 1.218 2.157 ( 11.059 0.637 0.162) 11.079 2.403 ( 0.647 0.689 -0.064) 0.947 2.596 ( -2.816 3.790 -0.532) 4.752 2.735 ( -2.691 2.097 -0.600) 3.464 2.807 ( 2.288 -1.602 0.487) 2.835 2.873 ( -0.970 -3.342 1.015) 3.624 2.919 ( 0.910 -0.113 1.759) 1.984 3.000 ( 0.413 -2.768 -3.026) 4.122 3.042 ( -3.202 -0.098 -0.711) 3.282 3.106 ( -1.724 0.519 -0.831) 1.983 3.220 ( 2.536 -4.070 0.466) 4.818 3.310 ( -0.200 -3.480 1.170) 3.677 3.473 ( -4.430 -1.973 0.174) 4.853 3.527 ( -7.227 -0.845 -0.482) 7.293 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.910 1.293 0.490) 1.655 1.280 ( 0.335 0.195 -0.785) 0.875 1.471 ( -0.075 0.808 0.812) 1.148 1.498 ( -0.651 -0.302 -0.893) 1.146 1.703 ( -0.407 -1.359 0.187) 1.431 1.773 ( 2.793 3.501 -0.430) 4.499 1.850 ( -1.060 -1.413 -0.182) 1.776 2.348 ( 2.106 8.714 0.063) 8.965 2.455 ( 3.339 0.335 1.169) 3.553 2.621 ( 2.583 2.999 -0.443) 3.983 2.691 ( -1.738 -1.653 -0.791) 2.526 2.767 ( -3.763 -6.987 -0.009) 7.936 2.826 ( -0.038 0.462 0.625) 0.778 2.900 ( -3.228 0.287 0.883) 3.359 2.984 ( 2.619 -0.227 -1.922) 3.256 3.041 ( -0.006 -0.747 0.821) 1.110 3.087 ( -0.131 -0.108 -0.675) 0.696 3.227 ( 0.326 -0.084 -0.564) 0.657 3.268 ( -1.773 -0.421 1.288) 2.232 3.398 ( -1.112 -2.089 0.123) 2.370 3.436 ( -0.662 -3.241 -0.590) 3.360 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.938 -0.000 0.000) 0.938 1.287 ( -0.533 -0.000 0.000) 0.533 1.461 ( -1.000 -0.000 0.000) 1.000 1.509 ( 1.191 0.000 -0.000) 1.191 1.700 ( 1.084 0.000 -0.000) 1.084 1.780 ( -3.840 -0.000 0.000) 3.840 1.853 ( 1.961 0.000 -0.000) 1.961 2.349 ( -8.910 -0.000 0.000) 8.910 2.434 ( -2.543 -0.000 0.000) 2.543 2.629 ( -3.441 -0.000 0.000) 3.441 2.703 ( 2.941 0.000 -0.000) 2.941 2.768 ( 7.695 0.000 -0.000) 7.695 2.813 ( -1.350 -0.000 0.000) 1.350 2.889 ( 0.956 0.000 -0.000) 0.956 3.017 ( -0.365 -0.000 0.000) 0.365 3.024 ( 1.074 0.000 -0.000) 1.074 3.101 ( 1.542 0.000 -0.000) 1.542 3.235 ( -0.165 -0.000 0.000) 0.165 3.245 ( 0.140 0.000 -0.000) 0.140 3.398 ( 2.198 0.000 -0.000) 2.198 3.444 ( 3.546 0.000 -0.000) 3.546 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 -1.171 0.711) 1.369 1.119 ( -0.000 -0.781 2.313) 2.442 1.266 ( 0.000 -0.743 -3.263) 3.346 1.292 ( 0.000 1.984 -2.273) 3.017 1.599 ( -0.000 -2.505 1.239) 2.794 1.799 ( 0.000 5.070 -3.082) 5.934 1.847 ( -0.000 3.342 0.375) 3.363 2.019 ( 0.000 -6.428 -1.303) 6.558 2.486 ( -0.000 -2.812 1.979) 3.438 2.653 ( 0.000 -3.733 -1.013) 3.868 2.665 ( 0.000 -4.266 -0.179) 4.270 2.724 ( -0.000 -1.094 0.153) 1.105 2.860 ( -0.000 1.150 0.900) 1.461 2.918 ( 0.000 3.307 -0.599) 3.361 3.056 ( 0.000 2.910 -2.262) 3.686 3.096 ( -0.000 1.933 1.386) 2.379 3.189 ( 0.000 -2.504 -3.752) 4.511 3.215 ( -0.000 -5.093 2.159) 5.532 3.322 ( -0.000 -4.747 1.221) 4.901 3.691 ( -0.000 -1.062 0.019) 1.063 3.849 ( 0.000 -0.538 -0.266) 0.600 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.482 -1.024 1.966) 4.127 1.185 ( 5.529 -0.641 -0.704) 5.610 1.287 ( 4.326 -0.469 -0.021) 4.352 1.319 ( 3.495 0.478 -3.113) 4.705 1.582 ( 0.839 -2.071 0.924) 2.418 1.817 ( -1.148 3.257 -3.082) 4.629 1.889 ( 1.460 1.911 -0.190) 2.412 1.955 ( -1.435 -3.703 0.464) 3.998 2.416 ( -1.830 -5.117 1.047) 5.534 2.631 ( 1.613 -1.963 -0.752) 2.650 2.660 ( 3.697 -3.470 -0.847) 5.141 2.746 ( 3.119 -1.252 1.294) 3.602 2.875 ( -2.109 3.929 0.896) 4.549 2.948 ( -0.253 2.496 0.351) 2.533 3.023 ( -3.549 0.988 -2.619) 4.519 3.146 ( 0.707 0.196 0.299) 0.793 3.158 ( -1.689 -0.522 -3.016) 3.496 3.190 ( 1.869 -1.322 1.605) 2.796 3.265 ( -1.247 -4.563 1.889) 5.094 3.652 ( -3.407 -0.623 0.126) 3.466 3.796 ( -5.012 -0.664 -0.347) 5.068 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 4.969 -1.357 0.664) 5.194 1.220 ( 1.295 -0.236 -2.263) 2.618 1.408 ( 5.244 1.020 -1.049) 5.444 1.424 ( 7.477 -0.327 2.015) 7.751 1.604 ( 3.353 -0.326 0.065) 3.370 1.826 ( -3.177 4.045 -0.956) 5.231 1.887 ( -1.220 -1.799 0.383) 2.207 1.963 ( 7.319 -1.154 -0.372) 7.419 2.365 ( 0.812 -2.374 -0.039) 2.509 2.663 ( 1.790 1.921 -0.269) 2.639 2.708 ( 4.631 -2.214 -1.320) 5.301 2.788 ( 2.081 -1.005 1.821) 2.942 2.869 ( -2.955 2.711 1.772) 4.385 2.942 ( -2.689 0.570 1.391) 3.080 2.970 ( -0.847 -1.331 -3.824) 4.137 3.108 ( -3.107 0.727 -1.599) 3.569 3.141 ( -1.084 -0.483 0.327) 1.231 3.171 ( -1.730 -2.111 0.433) 2.764 3.251 ( 2.536 -1.825 1.101) 3.312 3.565 ( -5.731 -0.247 0.122) 5.737 3.670 ( -8.341 -0.368 -0.240) 8.352 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.091 0.000 -0.000) 4.091 1.248 ( 2.007 0.000 -0.000) 2.007 1.477 ( 1.286 0.000 -0.000) 1.286 1.488 ( 1.166 0.000 -0.000) 1.166 1.693 ( 6.168 0.000 -0.000) 6.168 1.753 ( -5.067 -0.000 0.000) 5.067 1.873 ( -1.060 -0.000 0.000) 1.060 2.164 ( 14.793 0.000 -0.000) 14.793 2.402 ( 4.151 0.000 -0.000) 4.151 2.705 ( -1.567 -0.000 0.000) 1.567 2.711 ( -2.385 -0.000 0.000) 2.385 2.809 ( 1.506 0.000 -0.000) 1.506 2.813 ( -4.935 -0.000 0.000) 4.935 2.924 ( 1.860 0.000 -0.000) 1.860 2.945 ( -1.437 -0.000 0.000) 1.437 3.062 ( -2.237 -0.000 0.000) 2.237 3.098 ( -1.613 -0.000 0.000) 1.613 3.179 ( 2.653 0.000 -0.000) 2.653 3.273 ( 0.928 0.000 -0.000) 0.928 3.459 ( -5.803 -0.000 0.000) 5.803 3.516 ( -8.207 -0.000 0.000) 8.207 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 0.095 2.756) 2.757 1.115 ( -0.000 -0.409 1.960) 2.002 1.236 ( 0.000 -0.634 -2.323) 2.408 1.277 ( 0.000 -1.172 -3.788) 3.965 1.554 ( -0.000 -1.646 0.624) 1.761 1.824 ( 0.000 -0.263 -2.811) 2.824 1.896 ( -0.000 1.246 0.155) 1.256 1.964 ( -0.000 0.129 0.930) 0.939 2.388 ( -0.000 -4.038 1.264) 4.231 2.589 ( 0.000 -1.597 -0.228) 1.613 2.595 ( -0.000 -2.038 0.618) 2.129 2.703 ( 0.000 -0.606 -0.873) 1.062 2.934 ( -0.000 2.303 0.198) 2.312 2.968 ( 0.000 1.461 -0.305) 1.493 3.088 ( 0.000 1.536 -2.475) 2.913 3.137 ( -0.000 1.120 0.845) 1.403 3.141 ( -0.000 -2.707 1.801) 3.252 3.186 ( 0.000 2.634 -1.714) 3.143 3.246 ( -0.000 -3.556 1.572) 3.888 3.677 ( -0.000 -0.319 0.041) 0.322 3.834 ( 0.000 -0.561 -0.213) 0.600 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.378 0.000 -0.000) 2.378 1.170 ( 4.163 0.000 -0.000) 4.163 1.293 ( 6.297 0.000 -0.000) 6.297 1.302 ( 5.029 0.000 -0.000) 5.029 1.559 ( 1.477 0.000 -0.000) 1.477 1.829 ( 1.464 0.000 -0.000) 1.464 1.909 ( 0.796 0.000 -0.000) 0.796 1.936 ( -3.404 -0.000 0.000) 3.404 2.355 ( -1.060 -0.000 0.000) 1.060 2.610 ( 3.164 0.000 -0.000) 3.164 2.618 ( 3.522 0.000 -0.000) 3.522 2.732 ( 3.150 0.000 -0.000) 3.150 2.933 ( -1.453 -0.000 0.000) 1.453 2.967 ( -0.756 -0.000 0.000) 0.756 3.030 ( -4.961 -0.000 0.000) 4.961 3.125 ( -0.107 -0.000 0.000) 0.107 3.185 ( -0.126 -0.000 0.000) 0.126 3.193 ( -2.255 -0.000 0.000) 2.255 3.200 ( 1.042 0.000 -0.000) 1.042 3.646 ( -3.349 -0.000 0.000) 3.349 3.787 ( -4.891 -0.000 0.000) 4.891 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.069 ( -0.000 0.000 14.413) 14.413 0.092 ( -0.000 0.000 16.248) 16.248 0.092 ( -0.000 0.000 16.248) 16.248 0.945 ( 0.000 -0.000 -2.844) 2.844 0.945 ( 0.000 -0.000 -2.844) 2.844 1.370 ( 0.000 -0.000 -3.947) 3.947 1.683 ( -0.000 0.000 0.695) 0.695 1.683 ( -0.000 0.000 0.695) 0.695 2.076 ( -0.000 0.000 5.823) 5.823 2.076 ( -0.000 0.000 5.823) 5.823 2.452 ( -0.000 0.000 0.287) 0.287 2.925 ( 0.000 -0.000 -1.118) 1.118 2.925 ( 0.000 -0.000 -1.118) 1.118 3.219 ( 0.000 -0.000 -5.006) 5.006 3.219 ( 0.000 -0.000 -5.006) 5.006 3.264 ( -0.000 0.000 2.606) 2.606 3.264 ( -0.000 0.000 2.606) 2.606 3.328 ( 0.000 -0.000 -1.732) 1.732 3.853 ( 0.000 -0.000 -1.343) 1.343 4.198 ( 0.000 -0.000 -7.685) 7.685 4.289 ( -0.000 0.000 7.158) 7.158 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 13.873 8.009 1.831) 16.123 0.442 ( 17.303 9.990 1.797) 20.061 0.630 ( 23.874 13.784 5.179) 28.049 0.982 ( 3.286 1.897 -2.563) 4.579 1.031 ( 7.077 4.086 -4.578) 9.366 1.348 ( -0.239 -0.138 -4.179) 4.188 1.688 ( 0.129 0.075 0.707) 0.723 1.752 ( 2.698 1.558 -1.104) 3.305 2.148 ( 4.876 2.815 7.547) 9.416 2.380 ( -1.133 -0.654 1.318) 1.858 2.888 ( -2.595 -1.498 -1.793) 3.492 2.925 ( -0.365 -0.211 -0.984) 1.070 3.190 ( -1.804 -1.042 -4.844) 5.273 3.214 ( 3.726 2.151 -20.159) 20.613 3.248 ( -1.594 -0.920 1.926) 2.664 3.251 ( 4.665 2.693 -5.163) 7.461 3.282 ( 0.177 0.102 0.726) 0.754 3.394 ( 9.089 5.248 -16.858) 19.858 3.679 ( -7.399 -4.272 12.373) 15.036 4.114 ( -5.429 -3.134 -6.392) 8.953 4.235 ( -5.102 -2.946 5.914) 8.348 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 12.485 7.208 0.171) 14.417 0.813 ( 13.874 8.010 -0.839) 16.043 1.074 ( 4.445 2.566 -0.954) 5.221 1.127 ( 15.452 8.921 0.640) 17.853 1.202 ( 8.389 4.844 -6.740) 11.801 1.387 ( 5.179 2.990 2.905) 6.648 1.691 ( 0.166 0.096 0.232) 0.301 1.837 ( 4.981 2.876 -1.394) 5.918 2.317 ( 7.955 4.593 7.422) 11.809 2.342 ( -1.837 -1.061 -0.200) 2.131 2.815 ( -2.886 -1.666 -1.744) 3.761 2.893 ( -2.221 -1.282 -0.959) 2.738 3.112 ( -4.334 -2.502 -3.554) 6.138 3.158 ( -3.719 -2.147 -6.208) 7.548 3.202 ( -2.344 -1.353 0.458) 2.745 3.275 ( -0.497 -0.287 -1.716) 1.809 3.352 ( 2.444 1.411 0.751) 2.920 3.523 ( -4.180 -2.413 7.534) 8.947 3.571 ( 4.355 2.514 -10.036) 11.225 3.932 ( -8.769 -5.063 -4.332) 11.014 4.087 ( -7.892 -4.556 3.912) 9.917 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 9.502 5.486 -2.362) 11.223 1.068 ( 7.932 4.580 -2.502) 9.495 1.163 ( 2.883 1.664 1.069) 3.496 1.256 ( 1.237 0.714 -0.391) 1.481 1.440 ( 9.226 5.326 -2.681) 10.985 1.566 ( 5.753 3.321 2.669) 7.159 1.707 ( 1.506 0.870 -0.147) 1.746 2.007 ( 9.902 5.717 -0.582) 11.449 2.309 ( -0.516 -0.298 -1.524) 1.637 2.522 ( 7.937 4.582 5.166) 10.520 2.767 ( -0.663 -0.383 -1.046) 1.296 2.820 ( -3.853 -2.225 -0.961) 4.552 2.979 ( -6.358 -3.671 -1.823) 7.564 3.053 ( -3.969 -2.291 -4.417) 6.365 3.148 ( -2.145 -1.239 -0.518) 2.531 3.236 ( -3.138 -1.812 -1.817) 4.053 3.281 ( -7.572 -4.372 1.383) 8.853 3.459 ( -0.838 -0.484 3.229) 3.371 3.616 ( -4.659 -2.690 -3.606) 6.477 3.774 ( -0.348 -0.201 -2.192) 2.229 3.908 ( -7.352 -4.244 2.416) 8.826 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 7.235 4.177 -4.754) 9.612 1.144 ( -0.925 -0.534 0.539) 1.197 1.225 ( -4.091 -2.362 3.194) 5.702 1.234 ( 3.355 1.937 -1.862) 4.298 1.613 ( 1.019 0.588 -0.182) 1.190 1.644 ( 6.958 4.017 -0.940) 8.089 1.763 ( 3.024 1.746 0.004) 3.491 2.162 ( -0.251 -0.145 -2.296) 2.314 2.365 ( 6.170 3.563 0.492) 7.142 2.679 ( 4.331 2.500 1.581) 5.244 2.717 ( -4.075 -2.353 -1.042) 4.820 2.748 ( -3.424 -1.977 -1.326) 4.170 2.868 ( 0.062 0.036 0.961) 0.963 2.949 ( -5.232 -3.021 -2.766) 6.645 3.097 ( -3.671 -2.119 2.083) 4.723 3.106 ( -1.365 -0.788 -0.108) 1.580 3.178 ( -3.309 -1.911 -3.321) 5.063 3.406 ( -5.494 -3.172 -0.382) 6.356 3.441 ( -6.202 -3.581 1.440) 7.305 3.775 ( -3.492 -2.016 0.061) 4.033 3.826 ( 1.986 1.146 0.217) 2.303 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -3.170 -1.830 1.337) 3.897 1.098 ( -6.560 -3.787 3.480) 8.336 1.224 ( 5.523 3.189 -5.725) 8.570 1.290 ( 1.829 1.056 -2.407) 3.202 1.595 ( -1.097 -0.634 1.515) 1.975 1.802 ( 4.858 2.805 -2.673) 6.214 1.832 ( 2.561 1.479 0.274) 2.970 2.050 ( -6.534 -3.773 -1.426) 7.679 2.440 ( -0.607 -0.350 1.429) 1.592 2.601 ( -5.874 -3.391 -0.609) 6.810 2.656 ( -2.377 -1.372 -0.871) 2.879 2.772 ( 2.548 1.471 0.510) 2.986 2.874 ( 1.143 0.660 0.986) 1.647 2.937 ( 3.581 2.067 -0.721) 4.197 3.083 ( -1.788 -1.032 -1.717) 2.685 3.087 ( -0.410 -0.237 1.510) 1.582 3.096 ( -0.791 -0.456 -1.885) 2.094 3.264 ( -4.174 -2.410 -0.397) 4.836 3.338 ( -3.965 -2.289 1.807) 4.922 3.721 ( -1.445 -0.834 0.104) 1.672 3.857 ( 0.628 0.363 -0.193) 0.751 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -3.717 -2.146 2.695) 5.068 1.030 ( -1.605 -0.926 1.474) 2.368 1.316 ( 0.797 0.460 -1.827) 2.046 1.318 ( 3.132 1.808 -3.706) 5.178 1.587 ( -0.000 -0.000 1.438) 1.438 1.794 ( -2.707 -1.563 -3.193) 4.469 1.875 ( 0.929 0.537 0.441) 1.160 1.983 ( 0.307 0.177 0.799) 0.874 2.413 ( -1.265 -0.731 0.942) 1.738 2.500 ( -2.314 -1.336 0.812) 2.793 2.594 ( -1.729 -0.998 -0.515) 2.062 2.810 ( 0.743 0.429 -1.033) 1.343 2.929 ( 1.208 0.697 0.544) 1.497 3.000 ( 1.858 1.073 -2.224) 3.090 3.030 ( -0.328 -0.189 -0.833) 0.915 3.084 ( -0.456 -0.264 2.818) 2.867 3.096 ( -0.237 -0.137 0.148) 0.311 3.227 ( 0.115 0.067 -0.521) 0.538 3.270 ( -1.985 -1.146 0.747) 2.410 3.700 ( -0.421 -0.243 -0.289) 0.566 3.860 ( -0.077 -0.044 -0.476) 0.485 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 2.462 1.422 0.650) 2.917 1.029 ( 1.290 0.745 1.327) 1.995 1.321 ( -0.113 -0.065 -0.923) 0.932 1.346 ( -0.784 -0.453 0.912) 1.285 1.574 ( -0.627 -0.362 -0.832) 1.103 1.825 ( 4.828 2.787 2.052) 5.940 1.875 ( -0.975 -0.563 0.521) 1.240 1.973 ( -1.155 -0.667 -0.888) 1.602 2.398 ( 0.516 0.298 -1.501) 1.614 2.506 ( 2.594 1.498 1.811) 3.500 2.596 ( 1.947 1.124 -0.170) 2.255 2.805 ( -0.937 -0.541 -1.960) 2.239 2.928 ( -1.695 -0.979 0.305) 1.981 3.008 ( -1.148 -0.663 -1.483) 1.989 3.046 ( 1.709 0.987 2.120) 2.897 3.074 ( -0.524 -0.303 1.707) 1.811 3.105 ( 0.704 0.406 1.465) 1.675 3.227 ( -0.221 -0.127 -0.497) 0.558 3.255 ( 1.172 0.677 -1.707) 2.178 3.698 ( 0.311 0.180 -0.607) 0.705 3.860 ( 0.117 0.068 -0.614) 0.629 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 5.626 3.248 -2.246) 6.874 1.083 ( 2.752 1.589 0.399) 3.203 1.281 ( -4.991 -2.881 3.843) 6.927 1.306 ( -1.225 -0.707 0.357) 1.459 1.586 ( 1.484 0.857 -0.166) 1.722 1.823 ( -5.656 -3.266 0.985) 6.605 1.833 ( -2.604 -1.504 0.420) 3.036 2.057 ( 7.550 4.359 -0.399) 8.728 2.437 ( 1.594 0.920 0.843) 2.024 2.617 ( 6.146 3.548 2.211) 7.433 2.663 ( 2.660 1.536 0.339) 3.090 2.760 ( -2.562 -1.479 -1.545) 3.337 2.862 ( -1.075 -0.621 -1.007) 1.598 2.940 ( -4.189 -2.418 -0.436) 4.856 3.075 ( 0.597 0.344 -0.346) 0.771 3.099 ( -1.722 -0.994 0.009) 1.989 3.124 ( 3.832 2.213 3.727) 5.786 3.268 ( 4.797 2.770 -0.137) 5.541 3.310 ( 3.523 2.034 -2.414) 4.730 3.713 ( 1.176 0.679 -1.249) 1.845 3.858 ( -0.416 -0.240 -0.163) 0.507 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 1.279 0.738 -0.840) 1.699 1.138 ( -7.662 -4.424 4.481) 9.917 1.179 ( 4.112 2.374 -5.013) 6.905 1.255 ( -3.699 -2.136 1.520) 4.534 1.614 ( 0.088 0.051 -0.038) 0.108 1.660 ( -7.823 -4.516 1.676) 9.187 1.765 ( -2.981 -1.721 0.298) 3.455 2.180 ( 0.599 0.346 0.530) 0.871 2.362 ( -6.549 -3.781 0.046) 7.563 2.665 ( -5.355 -3.092 -0.630) 6.216 2.730 ( 4.146 2.394 0.991) 4.889 2.764 ( 2.936 1.695 1.301) 3.631 2.862 ( 0.926 0.535 0.074) 1.072 2.980 ( 8.445 4.876 2.556) 10.081 3.068 ( 1.186 0.685 -3.208) 3.488 3.101 ( 1.684 0.972 -0.905) 2.145 3.218 ( 3.338 1.927 4.085) 5.616 3.386 ( 3.182 1.837 -4.372) 5.711 3.436 ( 8.680 5.011 1.089) 10.081 3.757 ( 3.196 1.845 -2.419) 4.412 3.835 ( -1.521 -0.878 1.295) 2.182 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -10.422 -6.017 4.030) 12.692 1.097 ( -7.352 -4.245 2.237) 8.780 1.147 ( -3.306 -1.909 -1.697) 4.178 1.231 ( 1.090 0.630 -4.904) 5.063 1.468 ( -8.756 -5.055 1.669) 10.247 1.543 ( -7.577 -4.374 -0.592) 8.769 1.710 ( -1.588 -0.917 0.231) 1.848 2.011 ( -9.995 -5.771 0.053) 11.542 2.323 ( 0.867 0.501 0.758) 1.256 2.489 ( -8.936 -5.159 -0.396) 10.326 2.775 ( 0.938 0.541 0.315) 1.128 2.828 ( 3.746 2.162 0.453) 4.349 2.995 ( 6.711 3.874 0.904) 7.801 3.085 ( 3.773 2.178 -0.548) 4.391 3.146 ( 2.244 1.296 -0.847) 2.726 3.236 ( 7.776 4.490 -0.772) 9.012 3.287 ( 2.269 1.310 2.578) 3.675 3.417 ( 0.220 0.127 -4.166) 4.174 3.647 ( 7.163 4.136 1.658) 8.436 3.805 ( 1.126 0.650 2.958) 3.231 3.874 ( 6.550 3.782 -2.756) 8.050 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -13.310 -7.684 3.332) 15.726 0.834 ( -14.452 -8.344 2.831) 16.927 1.067 ( -3.654 -2.109 -2.089) 4.708 1.108 ( -16.198 -9.352 -2.552) 18.877 1.258 ( -9.397 -5.425 0.774) 10.878 1.347 ( -2.382 -1.375 -2.055) 3.433 1.689 ( -0.370 -0.213 0.021) 0.427 1.843 ( -4.822 -2.784 -0.461) 5.587 2.280 ( -8.429 -4.867 0.933) 9.778 2.348 ( 1.141 0.659 0.937) 1.616 2.826 ( 3.043 1.757 0.328) 3.529 2.900 ( 2.201 1.271 0.254) 2.555 3.131 ( 4.698 2.713 -0.640) 5.463 3.189 ( 4.846 2.798 -3.115) 6.405 3.197 ( 2.095 1.210 -0.095) 2.422 3.285 ( -0.786 -0.454 0.186) 0.926 3.337 ( -1.411 -0.815 -0.913) 1.868 3.433 ( 2.941 1.698 -7.144) 7.910 3.679 ( -2.086 -1.204 8.069) 8.421 3.973 ( 9.382 5.417 0.121) 10.834 4.043 ( 7.626 4.403 -0.770) 8.839 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -0.000 16.649 6.135) 17.743 0.484 ( -0.000 19.879 5.808) 20.710 0.603 ( -0.000 27.130 2.474) 27.243 0.964 ( 0.000 3.263 -4.505) 5.563 1.033 ( 0.000 8.817 -4.174) 9.755 1.331 ( 0.000 -0.902 -6.179) 6.245 1.686 ( -0.000 0.085 0.537) 0.543 1.751 ( 0.000 3.068 -1.098) 3.258 2.158 ( -0.000 5.273 8.442) 9.954 2.384 ( -0.000 -1.015 1.690) 1.971 2.893 ( 0.000 -2.688 -1.049) 2.886 2.921 ( 0.000 0.117 -1.443) 1.448 3.136 ( 0.000 10.841 -28.597) 30.582 3.177 ( 0.000 -2.047 -5.943) 6.286 3.232 ( 0.000 1.753 -5.353) 5.633 3.253 ( -0.000 -1.899 1.946) 2.719 3.290 ( -0.000 1.830 0.849) 2.017 3.356 ( 0.000 4.564 -7.126) 8.462 3.746 ( -0.000 -3.556 8.425) 9.145 4.106 ( 0.000 -5.776 -5.906) 8.261 4.240 ( -0.000 -6.708 4.778) 8.236 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 5.517 14.245 4.930) 16.052 0.766 ( 7.113 17.195 1.685) 18.684 0.985 ( 11.568 15.452 -0.156) 19.304 1.044 ( 5.143 6.443 -3.083) 8.802 1.146 ( 3.221 8.401 -5.894) 10.755 1.341 ( 2.855 1.921 -1.302) 3.679 1.693 ( 0.317 0.377 0.408) 0.640 1.803 ( 2.318 3.992 -1.527) 4.862 2.278 ( 4.332 6.550 8.861) 11.840 2.360 ( -1.421 -1.563 0.592) 2.194 2.829 ( -2.583 -3.272 -1.704) 4.504 2.906 ( -1.137 -1.498 -0.698) 2.006 3.129 ( -0.406 -2.597 -6.562) 7.069 3.159 ( -1.347 -2.675 -7.388) 7.972 3.213 ( -1.826 -2.715 0.165) 3.276 3.298 ( 1.746 2.883 -1.515) 3.695 3.304 ( 1.666 1.111 0.110) 2.006 3.437 ( 6.693 2.108 -7.966) 10.616 3.665 ( -7.297 -0.277 5.271) 9.006 3.982 ( -4.956 -7.469 -4.618) 10.084 4.130 ( -3.921 -8.776 2.916) 10.044 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 6.555 9.960 1.925) 12.078 1.028 ( 5.617 11.304 -1.706) 12.738 1.153 ( 3.730 5.068 -0.175) 6.295 1.223 ( 3.512 3.376 -4.552) 6.667 1.339 ( 8.257 7.580 -2.491) 11.482 1.490 ( 7.281 5.465 3.130) 9.627 1.712 ( 0.530 2.183 0.223) 2.258 1.923 ( 6.362 6.552 -1.122) 9.202 2.309 ( -1.494 -2.005 -0.860) 2.645 2.455 ( 6.155 5.685 6.743) 10.755 2.751 ( -1.446 -3.674 -1.640) 4.275 2.859 ( -2.120 -1.478 -0.261) 2.597 3.054 ( -4.847 -2.403 -3.998) 6.727 3.080 ( -2.337 -2.990 -3.941) 5.471 3.141 ( -1.894 -3.990 -0.576) 4.454 3.276 ( -2.447 0.279 -1.998) 3.171 3.359 ( -0.486 -0.656 0.348) 0.887 3.506 ( -5.335 -2.133 5.369) 7.864 3.584 ( 3.732 0.875 -5.560) 6.753 3.794 ( -6.009 -6.743 -2.146) 9.283 3.958 ( -5.388 -8.816 1.453) 10.434 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.410 6.251 -1.472) 8.398 1.174 ( 0.832 5.006 -1.977) 5.447 1.235 ( 0.774 4.865 0.886) 5.005 1.279 ( -0.451 2.706 0.042) 2.743 1.534 ( 7.962 4.745 -1.956) 9.473 1.604 ( 2.240 -0.045 0.847) 2.395 1.759 ( 1.079 4.044 0.188) 4.190 2.126 ( 5.618 4.978 -1.241) 7.608 2.287 ( 3.219 -1.026 -0.570) 3.426 2.611 ( 5.339 2.313 3.371) 6.724 2.704 ( 0.172 -3.568 -1.187) 3.764 2.817 ( -2.320 1.299 0.065) 2.660 2.923 ( -6.131 -1.606 -2.016) 6.651 2.992 ( -3.664 -2.256 -2.058) 4.770 3.084 ( 0.050 -3.501 -1.398) 3.770 3.219 ( -3.466 -1.324 -2.111) 4.269 3.226 ( -9.890 -0.923 0.971) 9.980 3.436 ( -1.603 -2.835 1.927) 3.785 3.522 ( -7.400 -4.535 -1.453) 8.800 3.747 ( 4.701 -2.487 -1.023) 5.416 3.798 ( -3.269 -6.914 1.042) 7.719 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -0.186 0.552 0.713) 0.920 1.166 ( 0.199 3.177 -3.831) 4.981 1.250 ( -6.405 4.254 1.941) 7.930 1.306 ( 0.253 5.481 -1.616) 5.719 1.606 ( -0.204 -0.622 0.945) 1.150 1.712 ( 7.345 2.531 -1.204) 7.862 1.825 ( 1.534 3.973 0.068) 4.260 2.099 ( -4.747 -4.512 -2.065) 6.867 2.403 ( 4.725 -0.125 0.328) 4.738 2.665 ( -1.981 -1.359 -1.366) 2.764 2.700 ( 1.837 1.180 0.270) 2.200 2.748 ( -4.295 0.529 0.019) 4.327 2.882 ( 1.468 0.056 1.253) 1.931 2.911 ( -2.676 -0.443 0.024) 2.713 3.058 ( -0.041 -2.441 -2.334) 3.378 3.101 ( -2.284 0.968 -0.053) 2.481 3.157 ( -2.756 0.181 -0.610) 2.828 3.322 ( -6.767 -4.019 -0.912) 7.923 3.377 ( -3.704 -3.734 1.706) 5.529 3.709 ( -0.423 -4.542 -0.002) 4.561 3.799 ( 3.999 -3.608 -0.104) 5.387 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -5.410 0.484 1.979) 5.781 1.172 ( -7.867 6.884 2.134) 10.669 1.250 ( 3.868 1.741 -4.850) 6.443 1.348 ( -0.879 4.402 -0.975) 4.594 1.601 ( -0.550 0.891 1.494) 1.824 1.803 ( 0.775 -0.698 -2.974) 3.152 1.880 ( 0.421 2.743 -0.314) 2.793 1.968 ( -1.787 -3.666 0.337) 4.093 2.418 ( -0.230 -1.479 0.630) 1.624 2.584 ( -5.782 1.550 0.396) 5.999 2.643 ( -4.107 0.636 -0.623) 4.202 2.801 ( 2.254 1.277 0.212) 2.599 2.903 ( 2.163 1.076 0.666) 2.506 2.931 ( 3.270 -2.574 0.389) 4.179 3.027 ( -0.415 -0.895 -3.305) 3.449 3.092 ( -0.082 -0.008 0.601) 0.606 3.132 ( -2.873 1.318 0.199) 3.167 3.218 ( -0.155 -1.905 -0.050) 1.912 3.287 ( -2.676 -3.128 1.251) 4.302 3.674 ( 0.978 -3.671 -0.251) 3.807 3.815 ( 2.619 -4.195 -0.538) 4.974 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -2.711 3.811 1.780) 5.004 1.135 ( -5.955 9.327 2.113) 11.266 1.311 ( 2.632 0.341 -3.642) 4.506 1.360 ( -1.662 2.269 0.586) 2.873 1.597 ( -1.636 0.825 -0.607) 1.930 1.788 ( 1.471 1.873 0.601) 2.457 1.897 ( -0.792 1.536 0.183) 1.737 1.954 ( 1.106 -3.238 -0.013) 3.422 2.398 ( -0.695 -0.219 -1.547) 1.710 2.540 ( -2.301 4.426 1.954) 5.358 2.608 ( -1.214 2.532 -0.145) 2.812 2.816 ( -0.885 0.394 -1.977) 2.202 2.934 ( 0.166 -0.518 0.453) 0.708 2.946 ( 2.391 -4.272 0.697) 4.945 3.042 ( 2.032 0.754 -2.459) 3.278 3.091 ( -1.342 -0.639 2.404) 2.826 3.109 ( 1.080 1.159 2.219) 2.726 3.219 ( 0.022 -0.532 -0.628) 0.824 3.234 ( -0.039 -2.292 -0.633) 2.378 3.663 ( 1.723 -3.127 -0.570) 3.616 3.814 ( 2.443 -4.203 -0.858) 4.936 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 1.157 5.522 0.717) 5.687 1.158 ( -3.146 10.062 0.747) 10.568 1.320 ( -1.636 -2.351 1.697) 3.329 1.343 ( -1.790 2.377 -0.922) 3.115 1.583 ( -0.354 1.408 -0.549) 1.552 1.837 ( -1.038 -2.941 0.997) 3.275 1.892 ( -2.870 0.444 0.508) 2.948 1.959 ( 6.031 1.747 -0.607) 6.308 2.407 ( 1.933 0.908 -0.513) 2.196 2.603 ( 2.169 6.428 2.543) 7.246 2.649 ( 1.690 4.079 0.092) 4.416 2.780 ( -2.108 -1.677 -2.097) 3.414 2.886 ( -2.378 -2.994 -1.316) 4.044 2.933 ( 0.031 -4.045 0.566) 4.084 3.064 ( 0.546 -0.461 -0.538) 0.895 3.102 ( 1.855 1.601 3.155) 3.994 3.150 ( -1.992 3.138 1.603) 4.048 3.216 ( 2.993 -0.049 -0.106) 2.996 3.249 ( 3.726 -0.444 -2.620) 4.576 3.667 ( 2.395 -2.862 -0.966) 3.855 3.814 ( 2.484 -4.256 -0.679) 4.974 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.456 3.811 -0.483) 4.108 1.202 ( -2.744 3.068 -1.246) 4.301 1.241 ( -4.500 2.567 2.230) 5.640 1.323 ( -3.482 1.807 0.081) 3.924 1.604 ( 0.931 0.623 0.401) 1.190 1.724 ( -5.208 -6.018 0.270) 7.963 1.828 ( -4.329 0.507 0.400) 4.377 2.114 ( 6.942 1.898 -0.718) 7.232 2.419 ( -3.041 -3.412 1.803) 4.913 2.682 ( 1.162 -0.475 -0.035) 1.256 2.696 ( -2.497 -2.453 0.289) 3.512 2.758 ( 3.300 6.620 0.845) 7.445 2.861 ( 0.269 -1.297 -0.740) 1.517 2.915 ( 3.646 3.233 0.486) 4.897 3.071 ( 0.180 -0.695 -1.528) 1.688 3.100 ( -1.122 1.795 -0.184) 2.125 3.193 ( 3.045 2.724 3.891) 5.642 3.315 ( 5.071 1.086 -4.968) 7.182 3.347 ( 6.687 3.648 1.701) 7.805 3.690 ( 3.656 -2.227 -1.622) 4.578 3.805 ( 1.670 -4.825 0.265) 5.112 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -8.192 -4.166 3.267) 9.754 1.169 ( -1.145 2.672 -2.850) 4.071 1.240 ( -7.047 1.078 1.028) 7.203 1.254 ( -2.654 4.187 -2.478) 5.543 1.554 ( -6.686 -5.482 -0.087) 8.647 1.604 ( -2.577 -1.553 0.953) 3.156 1.760 ( -4.044 0.796 0.331) 4.135 2.142 ( -8.276 -3.030 0.378) 8.822 2.294 ( 0.330 -2.660 -0.124) 2.683 2.584 ( -6.373 -3.887 0.413) 7.476 2.714 ( 3.178 -2.269 0.083) 3.906 2.816 ( 0.621 2.145 -0.173) 2.240 2.946 ( 4.879 5.941 0.378) 7.697 3.029 ( 4.188 -0.348 0.571) 4.241 3.084 ( 3.457 0.096 -1.595) 3.808 3.204 ( 5.420 8.877 -0.456) 10.411 3.273 ( 2.147 2.075 3.861) 4.881 3.383 ( 2.947 -0.043 -3.960) 4.937 3.532 ( 9.106 3.705 -0.302) 9.836 3.750 ( 4.927 -2.507 -0.658) 5.567 3.790 ( 3.055 -2.695 0.688) 4.132 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -12.383 -4.041 2.780) 13.319 1.058 ( -13.506 -1.046 1.745) 13.658 1.133 ( -4.509 1.194 -2.611) 5.345 1.239 ( -3.613 1.471 -3.665) 5.352 1.369 ( -8.584 -4.217 -0.752) 9.593 1.455 ( -11.357 -2.942 1.414) 11.816 1.711 ( -2.193 0.415 0.174) 2.239 1.930 ( -8.513 -2.001 -0.573) 8.764 2.319 ( 1.916 -0.777 0.676) 2.175 2.411 ( -9.035 -2.107 1.612) 9.416 2.763 ( 4.262 -0.812 -0.108) 4.340 2.862 ( 2.679 0.725 0.090) 2.777 3.079 ( 4.508 3.434 -1.650) 5.903 3.112 ( 5.185 0.866 -2.957) 6.032 3.148 ( 3.940 -0.301 0.266) 3.961 3.315 ( -0.431 1.854 2.015) 2.772 3.329 ( 1.366 -0.026 -1.630) 2.127 3.432 ( 1.403 5.455 -2.972) 6.368 3.654 ( 2.561 -4.168 2.284) 5.399 3.831 ( 9.640 0.764 0.053) 9.670 3.919 ( 9.366 1.701 0.043) 9.519 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 15.563 7.606) 17.322 0.870 ( -0.000 16.085 3.342) 16.429 1.030 ( 0.000 4.490 -4.388) 6.278 1.063 ( 0.000 13.501 -6.054) 14.796 1.214 ( 0.000 11.163 -5.630) 12.502 1.356 ( -0.000 7.844 1.482) 7.982 1.691 ( -0.000 0.395 0.245) 0.465 1.830 ( 0.000 5.650 -1.416) 5.825 2.335 ( -0.000 8.584 8.436) 12.036 2.357 ( -0.000 -1.839 0.183) 1.848 2.826 ( 0.000 -3.173 -0.323) 3.190 2.897 ( 0.000 -2.372 -0.779) 2.497 3.094 ( 0.000 -3.997 -5.651) 6.922 3.107 ( 0.000 -3.018 -8.042) 8.589 3.203 ( -0.000 -3.509 0.724) 3.583 3.279 ( 0.000 2.696 -1.211) 2.955 3.333 ( 0.000 1.812 -0.456) 1.868 3.373 ( 0.000 -0.849 -3.926) 4.017 3.741 ( -0.000 -0.509 3.133) 3.174 3.935 ( 0.000 -8.476 -3.926) 9.341 4.065 ( -0.000 -10.948 1.279) 11.023 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.084 12.872 6.371) 14.404 1.065 ( 2.141 9.003 -2.165) 9.504 1.103 ( 6.420 6.204 -1.104) 8.996 1.177 ( 5.291 2.750 -6.596) 8.892 1.343 ( 1.525 11.000 -3.053) 11.517 1.488 ( 2.137 9.902 3.149) 10.608 1.714 ( 1.551 1.726 0.271) 2.336 1.920 ( 2.591 8.992 -0.960) 9.407 2.318 ( -1.865 -2.248 -1.136) 3.135 2.460 ( 2.418 7.767 6.875) 10.651 2.758 ( -3.366 -2.935 -0.826) 4.542 2.862 ( -0.530 -2.555 -0.147) 2.614 3.040 ( 0.546 -4.055 -4.763) 6.279 3.064 ( -0.954 -4.052 -3.919) 5.717 3.148 ( -2.040 -3.723 -0.301) 4.256 3.307 ( -0.256 -0.781 -1.407) 1.629 3.331 ( 0.801 -0.602 -0.533) 1.135 3.414 ( 5.949 -2.109 0.013) 6.311 3.666 ( -6.103 -3.245 0.029) 6.913 3.817 ( -4.308 -5.311 -1.478) 6.997 3.929 ( -2.776 -10.582 0.034) 10.940 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.469 8.534 2.974) 9.156 1.167 ( 4.368 2.996 -3.540) 6.371 1.263 ( 2.957 5.256 0.454) 6.048 1.302 ( 4.055 5.620 -1.605) 7.113 1.468 ( 3.950 6.438 -1.087) 7.631 1.578 ( 0.734 2.197 -0.243) 2.329 1.780 ( 2.094 3.970 0.532) 4.519 2.098 ( 5.555 10.408 -0.531) 11.809 2.251 ( -1.966 -3.262 -1.270) 4.015 2.581 ( 2.687 4.560 4.407) 6.888 2.677 ( -1.835 -2.792 -1.030) 3.496 2.841 ( 0.208 -0.382 0.061) 0.439 2.970 ( -3.195 -3.816 -3.869) 6.304 3.020 ( 0.383 -2.073 -1.966) 2.883 3.060 ( -3.330 -3.487 -0.558) 4.854 3.252 ( -2.924 -2.424 -1.324) 4.023 3.323 ( -1.737 -3.344 -0.990) 3.896 3.441 ( -1.482 -5.140 2.645) 5.968 3.555 ( 0.673 -3.533 -1.648) 3.956 3.680 ( -5.277 -3.267 0.444) 6.222 3.777 ( -3.261 -7.991 -0.557) 8.649 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.265 4.416 0.546) 4.626 1.223 ( -0.527 1.849 -1.889) 2.695 1.354 ( 1.104 5.772 -0.107) 5.878 1.382 ( -1.602 6.363 -0.236) 6.566 1.589 ( 0.972 -0.403 -0.944) 1.414 1.611 ( 6.508 2.802 0.397) 7.097 1.851 ( 0.989 4.063 0.360) 4.197 2.152 ( -5.167 -1.007 -0.990) 5.356 2.299 ( 7.195 2.133 -0.738) 7.541 2.633 ( 0.362 -2.356 -0.828) 2.523 2.668 ( 2.833 1.925 1.603) 3.781 2.846 ( -2.685 1.069 -0.478) 2.929 2.885 ( -0.708 -1.246 -1.907) 2.385 2.951 ( -4.510 -1.611 0.950) 4.883 3.026 ( 1.297 -1.097 -2.047) 2.660 3.166 ( -3.070 -3.447 -0.283) 4.624 3.194 ( -5.167 -2.818 -1.407) 6.051 3.384 ( -1.988 -2.447 2.244) 3.870 3.440 ( -8.335 -3.271 -0.852) 8.994 3.650 ( 2.429 -6.737 1.137) 7.251 3.670 ( 1.575 -5.249 -1.165) 5.603 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.493 1.768 0.789) 3.157 1.225 ( -0.365 3.484 -3.155) 4.715 1.369 ( -4.890 5.862 0.114) 7.634 1.417 ( -1.160 4.834 0.938) 5.059 1.619 ( 0.891 2.060 0.246) 2.258 1.737 ( 5.501 0.549 -0.529) 5.553 1.892 ( 0.549 1.035 0.115) 1.177 2.028 ( -7.254 0.536 -0.850) 7.323 2.392 ( 2.469 -0.033 -0.452) 2.511 2.632 ( 1.927 -1.475 -1.294) 2.751 2.743 ( 2.836 1.701 0.754) 3.391 2.765 ( -5.867 1.476 -1.012) 6.134 2.871 ( -0.596 -2.006 2.640) 3.369 2.902 ( -0.116 -0.185 0.586) 0.625 3.029 ( -0.399 0.684 -3.109) 3.208 3.097 ( -1.511 -1.807 -0.681) 2.452 3.150 ( 2.228 -1.477 -0.176) 2.679 3.253 ( -8.010 -2.162 -1.032) 8.360 3.319 ( -3.715 -2.262 2.324) 4.931 3.598 ( 1.506 -6.148 -0.039) 6.330 3.690 ( 4.789 -6.718 -0.557) 8.269 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -4.359 4.725 0.965) 6.501 1.260 ( 2.001 0.926 -3.413) 4.063 1.350 ( -5.274 8.260 1.431) 9.905 1.427 ( -2.156 2.692 1.625) 3.813 1.641 ( -1.402 2.810 -0.912) 3.270 1.805 ( 1.467 1.867 -0.109) 2.377 1.881 ( 0.551 -3.994 0.367) 4.049 1.959 ( -3.615 4.980 -0.186) 6.157 2.409 ( -0.439 1.044 -1.746) 2.081 2.646 ( -1.552 3.830 0.519) 4.165 2.680 ( -4.641 2.972 0.069) 5.512 2.813 ( 2.381 -0.489 0.110) 2.433 2.861 ( 2.037 -3.925 2.385) 5.024 2.910 ( 1.302 -1.016 -0.024) 1.652 3.015 ( -0.238 0.187 -3.629) 3.641 3.076 ( 1.027 -1.796 1.008) 2.301 3.135 ( -3.308 0.045 0.439) 3.338 3.180 ( 2.169 -2.622 -0.699) 3.474 3.249 ( -2.520 -0.470 1.397) 2.919 3.578 ( 2.731 -5.498 -0.369) 6.150 3.694 ( 4.114 -7.223 -0.964) 8.369 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.980 6.604 0.997) 6.966 1.288 ( 1.129 -0.893 -2.128) 2.569 1.358 ( -4.402 9.375 2.190) 10.586 1.410 ( -2.525 2.285 0.828) 3.504 1.630 ( -2.547 3.000 -1.541) 4.226 1.829 ( -1.391 -2.526 1.203) 3.125 1.872 ( 3.408 -1.282 0.000) 3.642 1.967 ( -2.007 6.250 0.204) 6.567 2.402 ( -0.521 1.309 -2.258) 2.662 2.656 ( -1.572 3.319 1.022) 3.812 2.693 ( 0.102 6.641 1.453) 6.799 2.790 ( -1.656 -2.184 -1.666) 3.207 2.845 ( 0.677 -5.358 0.559) 5.429 2.913 ( 0.260 -1.605 0.690) 1.766 3.041 ( 1.900 0.211 -2.177) 2.897 3.092 ( 1.601 -0.115 2.758) 3.191 3.146 ( 3.391 0.737 1.195) 3.670 3.179 ( 1.996 -1.501 -2.249) 3.361 3.220 ( -1.847 1.299 0.747) 2.378 3.574 ( 3.132 -5.214 -0.631) 6.115 3.692 ( 4.281 -7.130 -1.063) 8.384 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.593 5.749 1.180) 5.898 1.257 ( -2.450 -1.931 -0.774) 3.214 1.387 ( -4.119 9.048 1.505) 10.054 1.395 ( -2.053 2.572 -0.515) 3.331 1.614 ( -1.447 1.466 -0.433) 2.105 1.734 ( -3.627 -6.296 -0.478) 7.282 1.891 ( -1.080 -0.155 0.097) 1.095 2.042 ( 3.128 5.855 -0.101) 6.639 2.417 ( 0.380 -0.877 0.969) 1.360 2.645 ( 0.578 -3.208 -0.759) 3.346 2.734 ( -3.318 -2.160 0.164) 3.962 2.788 ( 1.281 5.960 0.241) 6.101 2.831 ( 2.706 2.208 0.659) 3.554 2.900 ( 0.074 -0.382 0.423) 0.575 3.050 ( 0.496 -0.977 -1.687) 2.012 3.122 ( 0.442 -0.996 0.838) 1.375 3.181 ( 1.992 0.950 3.104) 3.809 3.226 ( 4.194 0.658 -5.232) 6.738 3.296 ( 4.666 5.775 2.261) 7.761 3.585 ( 3.998 -4.317 -0.813) 5.940 3.691 ( 3.904 -7.302 -0.604) 8.302 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.280 -1.751 1.532) 5.770 1.217 ( -1.376 3.148 -1.824) 3.889 1.356 ( -4.776 1.366 -0.244) 4.974 1.389 ( -5.429 5.857 0.256) 7.991 1.596 ( -4.365 -4.415 -0.122) 6.210 1.612 ( -0.244 -1.091 -0.262) 1.148 1.848 ( -4.051 0.829 0.241) 4.142 2.159 ( 4.452 3.074 -0.447) 5.429 2.326 ( -7.009 -5.355 0.494) 8.834 2.634 ( -1.588 -0.859 0.376) 1.845 2.657 ( -0.397 -2.703 -0.162) 2.737 2.837 ( -0.079 2.716 -1.014) 2.900 2.924 ( 3.649 2.550 -1.575) 4.722 2.952 ( 3.857 1.346 3.200) 5.190 3.036 ( 0.998 -2.027 -1.575) 2.754 3.171 ( 5.233 3.030 -0.539) 6.071 3.253 ( 3.479 0.887 1.950) 4.086 3.312 ( 4.503 1.712 -1.499) 5.045 3.445 ( 5.685 4.892 -0.343) 7.508 3.628 ( 4.712 -2.945 -0.440) 5.574 3.687 ( 4.079 -5.473 0.203) 6.829 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -9.078 -1.058 0.815) 9.176 1.204 ( -3.150 1.215 -2.472) 4.185 1.249 ( -7.554 -0.526 1.438) 7.708 1.320 ( -5.233 0.393 -1.175) 5.377 1.475 ( -6.461 0.055 -0.158) 6.463 1.582 ( -3.776 -0.213 -0.283) 3.793 1.774 ( -4.429 -0.080 0.291) 4.440 2.105 ( -11.983 -0.112 -0.461) 11.992 2.261 ( 3.979 -0.172 -0.380) 4.001 2.544 ( -6.560 0.003 1.805) 6.803 2.686 ( 3.451 0.018 -0.488) 3.486 2.841 ( -0.037 0.079 0.024) 0.091 3.011 ( 5.441 -0.649 -3.129) 6.310 3.036 ( 3.703 0.777 0.058) 3.784 3.067 ( 3.938 -0.313 -0.633) 4.001 3.277 ( 3.617 -1.004 -2.701) 4.624 3.317 ( 2.868 0.186 1.883) 3.436 3.416 ( 5.331 0.810 1.386) 5.568 3.570 ( 3.897 1.266 -0.825) 4.180 3.679 ( 6.062 -1.522 -0.072) 6.250 3.774 ( 7.967 0.549 0.570) 8.006 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.000 10.837 7.219) 13.021 1.089 ( 0.000 3.362 -2.638) 4.273 1.103 ( 0.000 0.284 -9.277) 9.281 1.147 ( -0.000 8.970 1.317) 9.066 1.443 ( 0.000 10.728 -3.130) 11.175 1.581 ( -0.000 7.910 2.911) 8.429 1.712 ( 0.000 1.862 -0.029) 1.862 2.008 ( 0.000 12.636 -0.174) 12.637 2.310 ( 0.000 -2.279 -2.252) 3.204 2.539 ( -0.000 8.240 5.422) 9.864 2.782 ( -0.000 -0.941 0.803) 1.237 2.823 ( 0.000 -4.395 -1.094) 4.529 2.979 ( 0.000 -5.427 -3.111) 6.255 3.022 ( 0.000 -2.648 -2.592) 3.705 3.127 ( 0.000 -3.534 -0.950) 3.659 3.248 ( -0.000 -8.668 0.328) 8.675 3.295 ( 0.000 -0.775 -3.158) 3.252 3.383 ( -0.000 0.092 1.861) 1.863 3.638 ( 0.000 -10.028 -2.077) 10.241 3.837 ( -0.000 0.059 0.134) 0.147 3.853 ( 0.000 -8.924 -0.460) 8.936 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.520 1.193 -4.883) 5.623 1.121 ( 0.498 6.329 3.860) 7.430 1.208 ( 6.795 2.763 -1.429) 7.473 1.259 ( 4.022 4.859 0.516) 6.329 1.531 ( -0.555 8.652 -1.987) 8.894 1.622 ( -1.814 2.893 0.727) 3.491 1.766 ( 2.942 3.199 0.273) 4.355 2.137 ( 1.158 7.076 -0.902) 7.226 2.279 ( -1.888 2.567 -1.159) 3.390 2.618 ( -0.104 5.126 2.896) 5.889 2.714 ( -3.977 -1.092 0.102) 4.125 2.809 ( 1.361 -2.482 -0.344) 2.851 2.930 ( 0.845 -4.883 -2.291) 5.460 3.004 ( -0.145 -0.610 -1.291) 1.435 3.065 ( -1.983 -4.226 -0.754) 4.729 3.206 ( 4.243 -9.055 -0.159) 10.002 3.279 ( 0.228 -2.306 -3.663) 4.334 3.374 ( 0.663 -3.535 3.586) 5.079 3.511 ( -2.058 -8.589 -1.883) 9.030 3.749 ( -3.191 -5.951 0.005) 6.753 3.796 ( -4.960 0.556 -0.085) 4.992 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.851 3.830 0.408) 3.944 1.184 ( 3.561 0.751 -1.427) 3.909 1.348 ( 4.821 3.160 -0.351) 5.775 1.392 ( 6.857 2.815 -0.055) 7.412 1.594 ( -1.657 5.777 -0.270) 6.016 1.600 ( -0.843 1.297 -0.464) 1.615 1.854 ( 2.641 2.856 0.318) 3.903 2.146 ( 1.709 -5.422 -0.913) 5.758 2.318 ( -2.513 9.173 -0.992) 9.563 2.628 ( -1.618 -1.204 -0.875) 2.199 2.677 ( -0.974 2.846 1.997) 3.610 2.821 ( 2.679 -1.588 -0.649) 3.181 2.896 ( -0.410 -1.694 -1.770) 2.484 2.989 ( -1.514 -3.312 0.858) 3.741 3.002 ( -0.001 0.033 -1.778) 1.778 3.157 ( -0.995 -5.509 -0.535) 5.624 3.225 ( -2.713 -4.379 -2.787) 5.857 3.355 ( 1.721 -5.541 3.586) 6.820 3.433 ( 1.923 -6.006 -0.918) 6.373 3.628 ( -4.825 -3.250 0.438) 5.834 3.685 ( -7.036 -0.814 -0.366) 7.093 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.759 2.093 -0.352) 2.254 1.254 ( 2.117 1.279 -1.215) 2.756 1.429 ( 1.546 1.453 0.362) 2.152 1.492 ( -0.662 3.634 -0.540) 3.733 1.608 ( 2.570 2.974 -1.215) 4.114 1.664 ( 2.928 2.643 1.343) 4.167 1.891 ( -0.112 -0.186 0.119) 0.248 2.144 ( 0.576 0.530 0.424) 0.890 2.349 ( 0.326 3.446 -1.504) 3.774 2.582 ( -0.575 -1.684 -1.221) 2.158 2.704 ( 1.162 0.878 0.654) 1.596 2.845 ( -0.091 -1.321 -0.310) 1.360 2.879 ( -0.433 1.255 0.041) 1.328 2.933 ( -2.550 -0.572 0.606) 2.682 3.019 ( 1.921 -0.052 -0.378) 1.958 3.099 ( -0.500 -2.348 -1.635) 2.905 3.109 ( -3.639 -3.973 -1.383) 5.562 3.329 ( 0.089 -5.198 1.988) 5.566 3.375 ( -4.509 -2.628 0.151) 5.221 3.553 ( 0.685 -5.497 -0.286) 5.546 3.554 ( -4.055 -2.549 -0.065) 4.790 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.379 3.068 -0.060) 3.092 1.270 ( -1.423 1.433 -1.247) 2.373 1.447 ( -0.417 1.990 0.452) 2.083 1.488 ( -2.022 1.496 0.634) 2.594 1.685 ( 0.993 4.324 -1.177) 4.590 1.736 ( 3.572 -0.976 0.064) 3.704 1.871 ( -0.564 -1.211 0.160) 1.345 2.145 ( -6.115 9.451 0.518) 11.268 2.416 ( 2.635 2.494 -0.541) 3.668 2.603 ( 5.021 -0.690 -0.763) 5.125 2.730 ( 2.382 -2.158 -0.406) 3.239 2.806 ( -3.491 1.799 0.067) 3.928 2.858 ( -2.589 -0.627 2.392) 3.580 2.897 ( -1.599 -0.754 0.676) 1.893 3.016 ( -0.645 -2.854 -2.929) 4.140 3.055 ( 0.386 0.044 -0.400) 0.557 3.100 ( 2.463 -2.375 -0.081) 3.422 3.227 ( -5.980 -0.321 -1.053) 6.080 3.295 ( -2.767 -1.465 2.391) 3.940 3.477 ( 0.971 -5.312 -0.047) 5.400 3.543 ( 3.592 -6.928 -0.899) 7.855 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -2.471 5.012 -0.141) 5.590 1.258 ( 0.482 -0.084 -0.833) 0.966 1.460 ( -1.558 0.305 1.251) 2.021 1.475 ( -0.531 3.523 0.552) 3.605 1.714 ( -2.437 4.687 -1.294) 5.439 1.761 ( 2.546 -4.840 -0.426) 5.486 1.863 ( 0.166 0.188 0.719) 0.762 2.141 ( -6.864 12.270 1.220) 14.112 2.443 ( -2.103 2.345 -2.355) 3.933 2.699 ( 0.057 -1.520 0.250) 1.541 2.717 ( 2.467 -0.608 -0.281) 2.556 2.792 ( 0.236 0.587 0.867) 1.073 2.810 ( -1.558 -3.179 0.426) 3.565 2.869 ( 1.460 -0.330 1.670) 2.243 3.000 ( 1.341 -0.043 -1.642) 2.120 3.062 ( 0.732 -0.671 -0.222) 1.018 3.109 ( 1.559 -2.042 0.020) 2.570 3.174 ( -1.469 2.719 -0.544) 3.138 3.255 ( -1.205 0.260 1.369) 1.842 3.463 ( 2.953 -5.279 -0.280) 6.055 3.536 ( 4.304 -7.349 -1.095) 8.587 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.827 2.621 1.059) 2.945 1.261 ( -0.579 0.338 -1.557) 1.696 1.440 ( -1.216 0.816 0.361) 1.508 1.505 ( -0.756 3.495 0.970) 3.705 1.690 ( -4.241 2.560 -0.917) 5.038 1.726 ( -1.314 -4.242 -0.449) 4.463 1.875 ( 0.973 -0.180 0.311) 1.037 2.149 ( -5.356 9.118 0.621) 10.593 2.410 ( -1.158 -1.356 -0.658) 1.901 2.610 ( -1.312 -3.976 -0.754) 4.254 2.741 ( -0.762 -3.381 -0.012) 3.465 2.797 ( 0.865 1.990 0.279) 2.188 2.849 ( 2.426 4.501 1.536) 5.338 2.896 ( 0.342 0.419 0.685) 0.873 3.034 ( -0.093 -0.892 -1.389) 1.654 3.058 ( 3.686 -2.603 -0.230) 4.519 3.133 ( 2.190 -0.320 -0.761) 2.340 3.209 ( 0.894 3.496 -0.716) 3.679 3.282 ( 3.097 2.389 2.062) 4.422 3.473 ( 3.948 -3.230 -0.202) 5.105 3.543 ( 4.219 -6.066 -0.967) 7.452 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -2.675 -1.338 -1.352) 3.282 1.259 ( -1.056 1.108 0.563) 1.631 1.424 ( -1.918 0.202 0.108) 1.931 1.501 ( -2.601 -1.059 -0.330) 2.827 1.629 ( -3.448 0.468 -0.871) 3.587 1.644 ( -4.213 0.440 0.774) 4.306 1.889 ( 0.008 -0.011 0.081) 0.082 2.138 ( -0.500 0.048 0.160) 0.527 2.372 ( -2.141 -0.637 -0.712) 2.344 2.604 ( 1.931 0.124 -0.842) 2.111 2.692 ( -2.614 0.324 0.494) 2.680 2.844 ( 2.097 0.400 0.190) 2.144 2.883 ( 0.440 -0.627 -0.309) 0.826 2.923 ( 1.803 -0.916 0.409) 2.063 3.015 ( -0.241 1.060 0.320) 1.133 3.109 ( 3.070 -0.135 -0.086) 3.074 3.172 ( 3.722 -1.044 -4.072) 5.615 3.274 ( 3.022 1.734 3.506) 4.943 3.376 ( 5.487 -0.940 -0.121) 5.569 3.554 ( 5.856 -0.582 0.024) 5.885 3.560 ( 2.644 1.114 -0.269) 2.882 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -4.991 0.137 -1.473) 5.205 1.232 ( -1.227 -1.982 0.470) 2.378 1.356 ( -5.355 -1.190 -0.169) 5.489 1.385 ( -4.761 -5.656 -0.360) 7.402 1.597 ( -2.359 2.689 -0.086) 3.579 1.609 ( -2.774 2.518 -0.366) 3.764 1.847 ( -4.110 -0.998 0.151) 4.233 2.160 ( 4.215 -3.165 -0.380) 5.285 2.313 ( -6.423 4.734 -1.545) 8.127 2.635 ( -1.037 1.228 0.379) 1.651 2.659 ( -1.045 2.289 0.150) 2.521 2.846 ( -0.253 -2.418 0.456) 2.473 2.914 ( 3.236 -1.496 -3.190) 4.784 2.940 ( 4.020 -3.007 1.170) 5.155 3.043 ( 0.841 2.369 -0.519) 2.567 3.172 ( 5.100 -2.401 -0.355) 5.648 3.217 ( 3.896 -2.920 -3.000) 5.719 3.350 ( 3.790 0.323 3.798) 5.375 3.445 ( 6.736 -5.512 -0.178) 8.706 3.637 ( 4.461 4.325 1.105) 6.310 3.681 ( 3.892 4.827 -0.788) 6.251 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 -0.343 -4.437) 4.450 1.123 ( 0.000 0.912 -0.000) 0.912 1.221 ( -0.000 5.288 3.319) 6.243 1.256 ( 0.000 1.961 -1.291) 2.348 1.607 ( 0.000 4.637 -0.382) 4.653 1.676 ( 0.000 4.053 -0.722) 4.117 1.771 ( 0.000 3.785 0.050) 3.786 2.143 ( 0.000 -3.799 -2.546) 4.573 2.373 ( -0.000 11.140 0.833) 11.171 2.674 ( -0.000 3.161 0.917) 3.291 2.724 ( 0.000 -4.452 -1.288) 4.635 2.776 ( 0.000 -1.441 -0.150) 1.449 2.883 ( -0.000 -1.854 1.012) 2.112 3.000 ( 0.000 -0.195 -2.056) 2.065 3.016 ( -0.000 -11.202 0.899) 11.238 3.077 ( 0.000 -0.490 -0.543) 0.731 3.244 ( 0.000 -2.903 -4.111) 5.032 3.338 ( -0.000 -5.478 3.018) 6.254 3.441 ( 0.000 -7.450 -1.024) 7.520 3.730 ( -0.000 -3.314 0.033) 3.314 3.850 ( -0.000 0.429 0.119) 0.445 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.977 -0.065 -1.251) 4.169 1.186 ( 3.976 0.727 -0.416) 4.063 1.275 ( 3.135 2.198 0.715) 3.895 1.303 ( 4.191 0.495 -1.329) 4.424 1.619 ( -0.459 -0.533 1.214) 1.403 1.705 ( -2.481 6.595 -2.021) 7.330 1.834 ( 2.431 3.253 -0.036) 4.061 2.073 ( -0.619 -6.737 -1.547) 6.940 2.446 ( -2.598 5.570 0.009) 6.146 2.658 ( -1.856 -0.590 -1.214) 2.295 2.712 ( 0.982 0.364 0.086) 1.050 2.753 ( 1.062 -2.957 -0.485) 3.179 2.887 ( 0.099 1.719 1.841) 2.521 2.931 ( 2.269 -8.038 1.000) 8.411 3.001 ( -1.255 0.353 -3.121) 3.383 3.107 ( 1.747 0.916 0.563) 2.052 3.206 ( -0.120 -3.303 -3.807) 5.041 3.280 ( 0.096 -6.088 2.570) 6.609 3.367 ( -0.628 -5.350 0.269) 5.394 3.676 ( -3.284 -1.924 0.509) 3.840 3.805 ( -5.239 -0.021 -0.085) 5.240 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 5.592 -0.919 0.114) 5.668 1.211 ( -0.190 0.635 -2.733) 2.812 1.384 ( 4.508 0.928 -0.509) 4.630 1.425 ( 8.685 0.866 0.929) 8.777 1.611 ( 0.328 0.076 0.693) 0.771 1.720 ( -2.551 5.978 -0.476) 6.517 1.894 ( 0.503 1.016 0.038) 1.134 2.026 ( 4.740 -5.193 -0.755) 7.071 2.416 ( -2.176 -0.332 -1.067) 2.446 2.618 ( -2.752 1.578 -0.740) 3.257 2.743 ( -1.618 3.824 0.424) 4.174 2.766 ( 4.500 -3.196 -0.971) 5.605 2.905 ( 0.925 -3.764 1.630) 4.205 2.916 ( 0.087 1.345 2.781) 3.090 2.980 ( 0.870 -0.850 -3.739) 3.932 3.111 ( -2.058 -0.300 -2.269) 3.078 3.147 ( -2.984 -1.404 -0.078) 3.298 3.237 ( 1.305 -5.486 1.004) 5.728 3.332 ( 2.203 -4.723 0.834) 5.278 3.582 ( -5.431 -1.447 0.566) 5.648 3.678 ( -8.460 -0.328 -0.087) 8.467 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.933 1.131 -1.249) 1.927 1.251 ( 3.638 -0.960 0.141) 3.765 1.449 ( 1.675 1.194 0.229) 2.070 1.512 ( 0.716 -0.792 -0.604) 1.227 1.669 ( 4.494 2.450 -0.299) 5.127 1.728 ( -2.144 2.560 0.584) 3.390 1.876 ( -1.157 -0.563 -0.198) 1.301 2.157 ( 11.246 0.523 -0.151) 11.260 2.403 ( 1.063 1.035 0.221) 1.500 2.594 ( -2.915 4.034 -0.165) 4.980 2.732 ( -2.760 1.791 -0.542) 3.335 2.809 ( 2.615 -1.553 0.169) 3.046 2.878 ( -1.648 -2.859 0.530) 3.343 2.927 ( 1.095 -0.081 0.918) 1.431 2.984 ( -0.269 -3.405 -2.406) 4.178 3.041 ( -1.807 0.301 0.118) 1.836 3.103 ( -2.211 0.707 -0.326) 2.344 3.222 ( 2.409 -4.335 0.039) 4.960 3.315 ( -0.129 -3.500 0.578) 3.549 3.474 ( -4.459 -1.960 0.193) 4.875 3.526 ( -7.355 -0.831 0.067) 7.402 ======================= Grid point 247 (96/231) ======================= q-point: ( 0.69 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.045 1.527 0.724) 1.987 1.275 ( 0.183 0.147 -0.961) 0.989 1.476 ( -0.059 0.603 0.932) 1.112 1.492 ( -0.420 -0.169 -0.987) 1.086 1.704 ( -0.537 -1.414 0.157) 1.521 1.771 ( 2.721 3.760 -0.310) 4.651 1.849 ( -0.981 -1.398 -0.126) 1.712 2.348 ( 2.785 8.267 0.072) 8.724 2.461 ( 2.489 0.564 0.811) 2.678 2.618 ( 2.464 3.202 -0.287) 4.051 2.687 ( -1.497 -1.574 -0.591) 2.251 2.767 ( -3.857 -7.006 0.002) 7.997 2.829 ( -0.085 0.248 0.375) 0.458 2.904 ( -3.001 -0.332 0.776) 3.117 2.974 ( 2.684 0.633 -1.391) 3.089 3.045 ( -0.121 -0.896 0.484) 1.025 3.084 ( 0.019 0.120 -0.385) 0.403 3.224 ( 0.100 0.139 -0.427) 0.460 3.275 ( -1.426 -0.937 0.874) 1.917 3.399 ( -1.214 -2.136 0.135) 2.460 3.433 ( -0.811 -2.979 -0.468) 3.123 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.000 0.046 0.038) 1.001 1.287 ( -0.504 0.143 -0.132) 0.540 1.461 ( -0.979 -0.219 0.239) 1.032 1.508 ( 1.145 -0.202 -0.275) 1.194 1.701 ( 1.103 0.137 0.040) 1.113 1.779 ( -3.886 0.327 -0.204) 3.905 1.853 ( 1.942 -0.105 -0.096) 1.947 2.348 ( -8.871 -1.512 -0.057) 8.999 2.436 ( -2.509 1.576 0.648) 3.033 2.628 ( -3.484 0.357 -0.267) 3.512 2.702 ( 2.888 -0.292 -0.335) 2.922 2.767 ( 7.711 0.132 -0.038) 7.712 2.814 ( -1.251 -0.130 0.439) 1.332 2.889 ( 0.967 -1.092 0.247) 1.479 3.014 ( -0.126 1.550 -1.136) 1.926 3.026 ( 0.773 -0.639 0.661) 1.202 3.100 ( 1.361 -0.059 -0.500) 1.451 3.234 ( -0.068 2.116 -0.201) 2.127 3.247 ( 0.191 -2.515 0.770) 2.638 3.398 ( 2.207 0.085 -0.010) 2.209 3.443 ( 3.515 0.468 -0.225) 3.553 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -1.830 -2.566 -1.544) 3.510 1.276 ( -0.074 -0.400 0.768) 0.869 1.439 ( -0.977 -1.075 0.231) 1.471 1.493 ( -1.023 -4.032 -0.961) 4.269 1.696 ( -4.191 -1.741 0.058) 4.539 1.732 ( -1.251 4.229 0.429) 4.431 1.871 ( 1.154 -0.169 -0.256) 1.194 2.143 ( -4.928 -9.467 -0.296) 10.677 2.416 ( -2.340 1.992 0.464) 3.107 2.613 ( -1.341 4.181 -0.169) 4.394 2.739 ( -0.229 3.184 -0.455) 3.224 2.800 ( 0.958 -1.901 0.746) 2.255 2.836 ( 1.697 -5.405 -0.459) 5.684 2.893 ( 0.952 -0.300 -0.010) 0.998 3.047 ( 1.370 0.872 0.524) 1.707 3.055 ( 1.952 2.514 -0.520) 3.225 3.120 ( 1.548 0.353 -2.235) 2.741 3.238 ( 2.343 -3.221 3.193) 5.105 3.259 ( 2.543 -2.616 -1.659) 4.008 3.476 ( 4.018 3.551 0.190) 5.366 3.550 ( 4.180 6.439 0.240) 7.680 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.549 -4.441 -1.086) 4.604 1.254 ( -2.678 0.186 -1.541) 3.095 1.373 ( -3.052 -8.604 -0.836) 9.168 1.405 ( -2.611 -2.762 1.062) 3.946 1.617 ( -2.192 -1.199 0.114) 2.501 1.738 ( -3.428 5.619 0.180) 6.585 1.891 ( -1.090 0.081 0.072) 1.095 2.038 ( 3.433 -6.034 -0.725) 6.980 2.403 ( -0.909 1.464 -1.303) 2.160 2.645 ( 0.617 2.642 -0.802) 2.829 2.735 ( -3.160 1.852 0.481) 3.695 2.777 ( 1.729 -7.082 -1.194) 7.387 2.843 ( 2.353 0.395 2.150) 3.212 2.898 ( 0.230 0.048 0.144) 0.276 3.055 ( -0.118 0.490 -1.037) 1.153 3.109 ( 2.055 -0.641 -1.432) 2.586 3.155 ( 0.380 1.661 -1.097) 2.027 3.271 ( 5.509 -6.238 -2.104) 8.584 3.282 ( 4.124 -1.198 4.320) 6.091 3.594 ( 4.351 4.494 0.672) 6.291 3.694 ( 3.477 7.428 -0.082) 8.202 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.000 0.082 1.321) 1.323 1.132 ( -0.000 -0.436 1.922) 1.970 1.248 ( 0.000 -0.948 -2.959) 3.107 1.277 ( 0.000 0.638 -3.235) 3.298 1.607 ( -0.000 -2.543 1.617) 3.014 1.780 ( 0.000 4.542 -3.330) 5.632 1.848 ( 0.000 3.361 0.047) 3.361 2.015 ( 0.000 -5.607 -0.413) 5.623 2.494 ( -0.000 -2.387 0.849) 2.533 2.647 ( 0.000 -3.609 -0.884) 3.716 2.658 ( 0.000 -3.494 -2.168) 4.112 2.730 ( -0.000 -1.921 1.803) 2.635 2.866 ( -0.000 1.114 1.086) 1.555 2.916 ( 0.000 3.050 -0.118) 3.053 3.046 ( 0.000 2.526 -1.467) 2.921 3.103 ( -0.000 2.136 1.082) 2.394 3.166 ( 0.000 -2.170 -4.243) 4.765 3.228 ( -0.000 -5.096 2.109) 5.515 3.329 ( -0.000 -4.420 1.059) 4.546 3.692 ( -0.000 -1.124 0.591) 1.270 3.848 ( -0.000 -0.602 -0.011) 0.602 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.064 -0.752 1.598) 3.537 1.177 ( 3.552 -0.753 -1.867) 4.083 1.292 ( 6.203 0.236 1.061) 6.297 1.299 ( 4.219 -0.028 -3.381) 5.407 1.590 ( 0.736 -2.251 1.683) 2.906 1.799 ( -0.565 2.865 -3.289) 4.398 1.888 ( 1.306 1.940 -0.248) 2.352 1.958 ( -1.652 -2.969 0.691) 3.468 2.422 ( -2.244 -4.879 0.817) 5.432 2.626 ( 1.500 -1.465 -1.114) 2.374 2.652 ( 3.551 -3.365 -1.843) 5.228 2.757 ( 3.497 -1.440 2.490) 4.528 2.882 ( -1.661 3.476 1.480) 4.127 2.949 ( 0.177 2.150 -0.067) 2.158 3.009 ( -4.150 1.298 -2.267) 4.904 3.140 ( -1.276 0.848 -2.742) 3.141 3.148 ( 0.674 -0.870 -0.121) 1.107 3.198 ( 1.073 -1.537 1.273) 2.266 3.275 ( -1.065 -4.336 1.617) 4.749 3.654 ( -3.392 -0.742 0.568) 3.518 3.796 ( -5.022 -0.673 0.134) 5.069 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 4.723 -1.549 -0.419) 4.988 1.212 ( 1.642 0.665 -0.528) 1.849 1.398 ( 6.024 0.954 -2.019) 6.425 1.435 ( 6.707 -0.468 1.435) 6.875 1.607 ( 3.092 -0.529 1.003) 3.293 1.820 ( -2.182 4.110 -1.069) 4.775 1.888 ( -1.613 -1.650 -0.025) 2.308 1.961 ( 7.097 -0.952 -0.285) 7.167 2.367 ( 0.705 -2.305 0.947) 2.589 2.661 ( 1.808 2.240 -0.466) 2.916 2.700 ( 4.835 -2.093 -1.553) 5.492 2.798 ( 1.478 -0.945 1.642) 2.403 2.879 ( -2.606 1.656 1.843) 3.596 2.942 ( -3.235 0.011 -2.602) 4.152 2.957 ( -0.165 -0.052 0.363) 0.402 3.099 ( -3.140 1.131 -1.478) 3.650 3.143 ( -0.256 -0.755 0.303) 0.853 3.172 ( -2.328 -1.782 0.105) 2.934 3.256 ( 2.262 -2.250 0.669) 3.260 3.567 ( -5.751 -0.362 0.360) 5.774 3.670 ( -8.340 -0.349 0.413) 8.357 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 4.253 0.149 0.183) 4.260 1.248 ( 1.784 0.221 0.183) 1.807 1.476 ( 1.237 -0.756 -0.378) 1.498 1.486 ( 1.368 0.802 -0.515) 1.668 1.695 ( 6.096 0.155 0.610) 6.129 1.754 ( -5.097 -0.128 0.259) 5.106 1.873 ( -0.978 0.111 -0.249) 1.015 2.162 ( 14.728 0.120 -0.772) 14.748 2.406 ( 4.079 -0.325 1.254) 4.279 2.704 ( -1.590 -1.414 -0.216) 2.138 2.712 ( -2.301 1.912 0.223) 3.000 2.808 ( 1.095 0.529 -0.616) 1.363 2.813 ( -4.444 -1.434 0.018) 4.670 2.912 ( 1.031 -0.191 -2.971) 3.151 2.957 ( -0.708 1.048 3.025) 3.279 3.062 ( -2.100 0.291 -0.081) 2.121 3.100 ( -1.757 -0.094 0.551) 1.844 3.178 ( 2.717 0.053 -0.411) 2.749 3.272 ( 0.923 -0.338 -0.441) 1.077 3.459 ( -5.823 -0.075 0.090) 5.824 3.518 ( -8.233 0.035 0.620) 8.256 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.783 -1.120 -0.267) 1.393 1.284 ( 0.411 -0.202 0.533) 0.703 1.467 ( -0.013 -0.942 -0.652) 1.146 1.502 ( -0.790 0.488 0.738) 1.187 1.702 ( -0.347 1.255 -0.155) 1.311 1.775 ( 2.716 -3.295 0.448) 4.294 1.851 ( -1.106 1.466 0.198) 1.846 2.348 ( 1.866 -8.942 -0.008) 9.135 2.448 ( 3.726 -0.393 -1.283) 3.960 2.623 ( 2.540 -2.856 0.512) 3.856 2.696 ( -1.850 1.850 0.791) 2.733 2.767 ( -3.700 6.926 0.029) 7.852 2.822 ( 0.104 -0.721 -0.777) 1.065 2.895 ( -2.917 -0.397 -0.741) 3.036 2.995 ( 2.220 0.702 2.045) 3.099 3.036 ( -0.139 0.569 -0.978) 1.140 3.091 ( -0.316 0.410 0.839) 0.986 3.230 ( 0.853 0.478 0.551) 1.122 3.261 ( -2.139 -0.232 -1.459) 2.600 3.398 ( -1.027 2.050 -0.064) 2.294 3.439 ( -0.732 3.381 0.560) 3.505 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -2.881 -5.217 0.044) 5.959 1.265 ( 0.668 1.004 0.239) 1.230 1.450 ( -0.952 -1.175 -0.338) 1.550 1.471 ( -1.698 -3.467 -0.131) 3.863 1.725 ( -2.354 -4.174 0.350) 4.805 1.764 ( 2.792 4.928 0.101) 5.664 1.857 ( -0.328 -0.693 -0.223) 0.798 2.132 ( -6.818 -11.901 -0.283) 13.719 2.460 ( -1.377 -2.045 0.600) 2.538 2.698 ( 0.492 1.046 -0.054) 1.158 2.719 ( 1.073 1.049 0.065) 1.502 2.786 ( 0.204 -0.061 -0.183) 0.280 2.806 ( -0.802 0.437 -0.201) 0.935 2.859 ( 1.616 2.059 -0.293) 2.634 3.011 ( 0.662 0.611 0.332) 0.961 3.065 ( 0.281 0.373 0.094) 0.477 3.106 ( 1.203 1.883 -0.214) 2.244 3.182 ( -1.275 -2.428 0.482) 2.785 3.243 ( -0.629 -0.449 -0.532) 0.938 3.465 ( 3.074 5.353 0.079) 6.173 3.544 ( 4.337 7.487 0.267) 8.656 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -2.197 -6.642 -0.172) 6.998 1.291 ( -0.240 1.985 -1.665) 2.602 1.343 ( -4.707 -9.657 -0.293) 10.747 1.410 ( -1.380 -2.863 0.999) 3.332 1.643 ( -2.625 -2.857 0.610) 3.927 1.813 ( -1.218 0.473 -1.309) 1.850 1.876 ( 3.245 2.783 0.539) 4.309 1.963 ( -2.223 -5.914 -0.414) 6.331 2.418 ( -1.185 -0.852 0.350) 1.501 2.646 ( -1.990 -4.257 -0.517) 4.728 2.683 ( -0.020 -5.670 -0.526) 5.694 2.807 ( -1.586 2.649 1.139) 3.291 2.844 ( 2.289 4.865 0.546) 5.405 2.909 ( -0.041 1.489 0.001) 1.490 3.056 ( 0.421 -0.281 -3.463) 3.500 3.062 ( 1.950 0.702 1.444) 2.526 3.136 ( 2.812 -2.331 -0.603) 3.702 3.187 ( 0.663 2.236 -0.437) 2.373 3.229 ( 0.616 -1.092 1.903) 2.279 3.579 ( 3.303 5.245 0.157) 6.200 3.699 ( 4.182 7.188 0.069) 8.317 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 -0.871 0.651) 1.088 1.118 ( 0.000 -0.959 -1.202) 1.538 1.231 ( -0.000 0.123 0.768) 0.778 1.260 ( 0.000 0.366 -2.363) 2.391 1.561 ( -0.000 -2.078 1.848) 2.780 1.806 ( 0.000 0.882 -3.480) 3.590 1.895 ( 0.000 1.236 -0.280) 1.267 1.970 ( -0.000 -0.161 1.301) 1.310 2.396 ( -0.000 -4.486 1.547) 4.746 2.588 ( 0.000 -1.701 -2.883) 3.347 2.588 ( 0.000 -1.465 -0.279) 1.491 2.710 ( -0.000 -0.851 2.951) 3.071 2.935 ( -0.000 2.105 0.334) 2.131 2.967 ( -0.000 1.546 0.044) 1.546 3.072 ( 0.000 1.797 -3.121) 3.601 3.139 ( 0.000 0.832 -0.059) 0.835 3.145 ( 0.000 -1.478 -0.648) 1.614 3.182 ( -0.000 1.687 0.636) 1.802 3.255 ( -0.000 -3.532 1.488) 3.833 3.679 ( -0.000 -0.434 0.492) 0.657 3.834 ( -0.000 -0.547 0.397) 0.676 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 2.576 -0.739 -2.414) 3.606 1.173 ( 5.001 0.521 1.029) 5.132 1.275 ( 4.743 0.188 -3.202) 5.726 1.320 ( 5.537 0.844 3.720) 6.724 1.563 ( 1.434 -0.546 1.226) 1.964 1.825 ( 1.457 1.833 -1.491) 2.776 1.907 ( 0.769 -0.008 -0.368) 0.852 1.939 ( -3.319 -0.725 0.871) 3.507 2.357 ( -0.994 -0.616 0.941) 1.501 2.607 ( 3.368 -0.139 -1.673) 3.763 2.613 ( 3.548 0.871 -1.026) 3.795 2.740 ( 2.861 -0.738 2.780) 4.057 2.933 ( -1.506 -0.511 0.015) 1.590 2.967 ( -0.923 0.331 -0.060) 0.982 3.028 ( -4.584 1.067 -0.607) 4.745 3.124 ( -0.118 -0.305 -0.493) 0.592 3.174 ( -0.576 3.117 -2.629) 4.118 3.201 ( -0.542 -0.993 0.605) 1.283 3.203 ( -0.309 -2.288 1.825) 2.943 3.647 ( -3.366 -0.106 0.399) 3.391 3.788 ( -4.888 0.007 0.652) 4.931 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.434 1.358 -1.213) 5.731 1.235 ( 0.689 0.836 3.217) 3.395 1.404 ( 7.529 0.424 -2.340) 7.895 1.418 ( 5.245 -1.225 -0.013) 5.387 1.606 ( 3.549 0.073 0.805) 3.640 1.831 ( -3.704 -3.918 0.712) 5.439 1.884 ( -0.975 2.138 -0.801) 2.483 1.965 ( 7.260 1.322 0.373) 7.388 2.368 ( 0.997 2.091 1.081) 2.556 2.664 ( 1.984 -1.378 0.030) 2.416 2.713 ( 4.851 2.792 0.336) 5.607 2.779 ( 1.851 0.178 -1.165) 2.195 2.860 ( -3.464 -3.312 -1.370) 4.984 2.934 ( -2.473 -0.355 -1.563) 2.947 2.992 ( -0.905 1.664 3.747) 4.199 3.115 ( -2.617 0.357 0.703) 2.734 3.141 ( -1.908 -0.125 0.638) 2.016 3.167 ( -1.405 2.405 -0.864) 2.916 3.244 ( 2.712 1.228 -1.441) 3.308 3.566 ( -5.772 0.140 0.186) 5.777 3.673 ( -8.333 0.346 0.829) 8.381 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.273 -0.458 1.177) 1.293 1.250 ( 3.528 0.704 0.141) 3.600 1.445 ( 1.303 -1.062 -0.472) 1.746 1.513 ( 1.957 0.919 -0.400) 2.199 1.678 ( 4.759 -2.276 1.147) 5.398 1.724 ( -2.599 -2.985 -0.050) 3.958 1.877 ( -0.978 0.537 -0.042) 1.116 2.155 ( 10.855 -0.577 -0.430) 10.879 2.404 ( 0.168 -0.710 0.328) 0.800 2.600 ( -2.748 -3.514 0.826) 4.536 2.738 ( -2.637 -2.322 0.507) 3.549 2.804 ( 1.926 1.675 -0.700) 2.647 2.866 ( 0.155 3.835 -1.436) 4.098 2.909 ( 0.781 0.196 -1.600) 1.791 3.015 ( 0.529 1.326 2.265) 2.677 3.048 ( -4.337 1.150 1.285) 4.668 3.113 ( -1.368 -0.098 1.710) 2.193 3.216 ( 2.712 3.713 -0.946) 4.694 3.303 ( -0.137 3.521 -1.595) 3.868 3.472 ( -4.486 1.950 -0.066) 4.892 3.531 ( -7.179 0.802 0.892) 7.278 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.933 -3.095 1.230) 3.459 1.278 ( -0.682 -0.522 0.034) 0.859 1.441 ( -0.475 -1.429 -0.508) 1.590 1.489 ( -2.848 -2.745 0.630) 4.005 1.695 ( 0.867 -4.374 0.455) 4.482 1.734 ( 4.110 1.050 -0.339) 4.256 1.870 ( -0.788 0.994 0.108) 1.273 2.142 ( -5.956 -9.074 0.012) 10.855 2.418 ( 3.108 -1.584 -0.149) 3.491 2.611 ( 4.523 0.872 0.555) 4.640 2.736 ( 2.638 1.708 0.553) 3.191 2.804 ( -2.593 -0.589 -0.531) 2.711 2.837 ( -4.852 -0.976 -0.792) 5.012 2.893 ( -0.913 0.865 -0.189) 1.271 3.044 ( -1.176 3.554 1.542) 4.049 3.055 ( 1.908 0.510 -0.297) 1.997 3.109 ( 0.672 1.667 1.663) 2.449 3.243 ( -6.393 0.548 1.400) 6.568 3.263 ( -1.673 1.009 -3.011) 3.589 3.476 ( 1.096 5.329 -0.102) 5.442 3.550 ( 3.601 6.887 0.214) 7.775 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 -0.210 -3.860) 3.866 1.099 ( 0.000 0.314 -3.614) 3.628 1.254 ( -0.000 0.939 3.836) 3.949 1.300 ( -0.000 1.889 4.024) 4.445 1.554 ( -0.000 1.026 0.510) 1.146 1.836 ( -0.000 2.093 1.511) 2.582 1.894 ( 0.000 -1.243 -0.570) 1.368 1.961 ( 0.000 -0.778 -0.220) 0.809 2.383 ( 0.000 3.216 -0.678) 3.286 2.582 ( 0.000 2.486 -3.432) 4.238 2.590 ( -0.000 1.819 0.176) 1.827 2.718 ( -0.000 0.155 3.930) 3.933 2.933 ( 0.000 -2.502 -0.080) 2.503 2.970 ( -0.000 -1.330 0.736) 1.520 3.097 ( -0.000 -0.049 0.441) 0.443 3.130 ( 0.000 1.848 -1.671) 2.491 3.130 ( 0.000 -1.353 -1.683) 2.159 3.198 ( -0.000 -2.319 2.309) 3.273 3.238 ( 0.000 3.354 -1.286) 3.592 3.679 ( -0.000 0.223 0.459) 0.510 3.836 ( -0.000 0.519 0.771) 0.929 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 3.865 1.708 -1.954) 4.656 1.184 ( 7.860 0.551 -1.082) 7.953 1.293 ( 2.059 1.016 1.881) 2.968 1.333 ( 2.825 -1.146 2.002) 3.647 1.579 ( 0.946 1.690 -0.224) 1.949 1.832 ( -1.740 -3.467 2.071) 4.397 1.890 ( 1.660 -1.951 0.278) 2.577 1.953 ( -1.247 4.649 -0.099) 4.814 2.411 ( -1.303 4.854 -0.932) 5.112 2.634 ( 1.838 2.660 0.196) 3.240 2.659 ( 4.382 4.104 -1.076) 6.099 2.745 ( 1.871 0.088 0.902) 2.079 2.872 ( -2.333 -4.176 -0.135) 4.785 2.945 ( -0.941 -2.674 -0.650) 2.909 3.037 ( -2.750 -0.438 2.454) 3.712 3.143 ( 0.467 0.475 -0.890) 1.112 3.172 ( -0.432 0.208 0.906) 1.025 3.184 ( 1.414 1.114 0.447) 1.855 3.254 ( -1.546 4.732 -1.998) 5.364 3.652 ( -3.458 0.528 0.403) 3.521 3.799 ( -4.993 0.566 0.752) 5.081 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 5.751 1.991 -0.259) 6.091 1.240 ( -0.815 -2.181 2.260) 3.244 1.389 ( 4.191 -1.178 0.358) 4.368 1.409 ( 9.169 0.307 -1.846) 9.358 1.609 ( 1.259 -0.050 0.317) 1.299 1.728 ( -3.548 -6.332 0.716) 7.293 1.893 ( 0.415 -1.044 -0.133) 1.131 2.036 ( 4.149 5.299 0.833) 6.781 2.422 ( -1.549 0.719 0.033) 1.708 2.631 ( -3.055 -1.347 1.457) 3.643 2.738 ( -0.942 -4.326 -0.475) 4.453 2.779 ( 3.541 3.159 1.314) 4.924 2.861 ( 2.705 4.716 -4.145) 6.836 2.906 ( -0.552 -0.776 -0.609) 1.130 3.021 ( -0.554 0.223 3.304) 3.357 3.128 ( -0.963 -1.382 0.034) 1.684 3.167 ( -3.736 3.597 4.056) 6.584 3.218 ( 1.385 4.347 -2.488) 5.197 3.318 ( 2.500 5.709 -1.616) 6.438 3.579 ( -5.423 1.342 0.164) 5.589 3.683 ( -8.410 0.159 0.677) 8.438 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.489 -2.983 1.522) 3.384 1.261 ( 1.985 -0.438 -0.147) 2.038 1.425 ( 1.327 -1.503 -0.218) 2.016 1.498 ( -0.350 -3.244 0.549) 3.309 1.623 ( 2.437 -2.823 1.267) 3.938 1.650 ( 2.812 -3.009 -1.152) 4.277 1.889 ( -0.043 0.046 -0.136) 0.150 2.139 ( 0.380 -0.433 -0.305) 0.652 2.366 ( 0.212 -2.685 1.271) 2.978 2.598 ( -0.709 1.737 1.349) 2.311 2.695 ( 1.589 -1.679 -0.774) 2.438 2.845 ( -0.292 1.900 -0.184) 1.931 2.881 ( -0.987 -0.458 0.388) 1.155 2.926 ( -2.361 0.827 -0.622) 2.577 3.017 ( 1.759 0.590 -0.467) 1.913 3.108 ( -1.579 2.252 0.264) 2.763 3.147 ( -2.983 3.066 4.751) 6.393 3.295 ( 0.504 4.060 -3.823) 5.599 3.375 ( -4.294 3.810 0.135) 5.742 3.554 ( -3.778 4.514 -0.031) 5.887 3.558 ( 0.343 3.341 0.428) 3.386 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 2.596 -0.068) 2.597 1.107 ( 0.000 1.381 -2.191) 2.590 1.283 ( -0.000 0.280 2.847) 2.861 1.302 ( -0.000 -3.239 1.109) 3.423 1.593 ( 0.000 2.339 -0.912) 2.510 1.814 ( -0.000 -5.667 2.205) 6.081 1.844 ( 0.000 -3.284 -0.631) 3.344 2.029 ( -0.000 7.363 2.027) 7.637 2.472 ( 0.000 3.023 -2.626) 4.004 2.658 ( -0.000 3.745 0.873) 3.846 2.659 ( 0.000 5.619 -1.921) 5.938 2.729 ( -0.000 -0.495 1.570) 1.647 2.856 ( 0.000 -1.272 -0.487) 1.362 2.923 ( -0.000 -3.648 1.038) 3.792 3.070 ( -0.000 -2.932 2.555) 3.889 3.088 ( 0.000 -1.453 -1.434) 2.042 3.192 ( 0.000 4.134 -2.891) 5.044 3.219 ( -0.000 3.841 3.729) 5.353 3.315 ( 0.000 5.012 -1.412) 5.207 3.692 ( -0.000 1.019 0.642) 1.205 3.851 ( -0.000 0.362 0.458) 0.584 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 3.576 2.206 1.478) 4.454 1.190 ( 5.259 -0.607 0.564) 5.324 1.263 ( 2.515 -3.824 -1.462) 4.805 1.317 ( 3.432 -1.082 1.035) 3.744 1.610 ( -0.134 0.960 -0.579) 1.129 1.722 ( -2.871 -7.040 0.784) 7.643 1.832 ( 2.485 -3.405 -0.331) 4.228 2.096 ( -1.190 7.135 2.265) 7.580 2.438 ( -1.750 -5.143 -1.325) 5.592 2.672 ( -1.858 -0.313 1.285) 2.281 2.705 ( -0.122 -1.425 -0.967) 1.727 2.760 ( 2.827 4.577 0.473) 5.401 2.865 ( -0.536 0.172 -1.548) 1.648 2.922 ( 1.448 6.547 -0.700) 6.741 3.040 ( -0.469 -0.782 3.568) 3.683 3.101 ( 2.107 -0.506 -0.375) 2.199 3.235 ( 0.656 3.656 -2.214) 4.324 3.263 ( -1.298 5.327 3.140) 6.319 3.362 ( -0.500 6.677 -0.809) 6.745 3.676 ( -3.459 1.906 0.647) 4.002 3.806 ( -5.137 -0.275 0.102) 5.146 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.370 -5.499 -1.180) 5.637 1.206 ( 4.114 0.342 1.930) 4.557 1.353 ( 3.950 -3.139 0.485) 5.068 1.390 ( 7.604 -2.234 -0.262) 7.929 1.595 ( -1.548 -6.206 0.102) 6.397 1.609 ( -1.102 -0.536 0.730) 1.426 1.850 ( 2.673 -3.035 -0.371) 4.061 2.156 ( 0.720 5.446 0.785) 5.549 2.326 ( -1.543 -9.061 0.242) 9.195 2.636 ( -0.428 -0.329 0.072) 0.545 2.658 ( -1.803 -2.725 -0.743) 3.351 2.831 ( 2.495 1.444 1.106) 3.087 2.915 ( 0.055 3.683 1.680) 4.049 2.968 ( -0.816 3.780 -2.637) 4.680 3.026 ( -1.648 -0.034 2.065) 2.642 3.167 ( -0.286 5.787 0.910) 5.865 3.253 ( -2.824 3.515 1.714) 4.823 3.316 ( 1.265 5.405 -2.563) 6.114 3.442 ( 1.556 6.793 0.590) 6.993 3.626 ( -4.752 2.933 0.098) 5.585 3.687 ( -6.917 0.875 -0.011) 6.973 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 2.563 5.330) 5.914 1.127 ( -0.000 0.546 0.589) 0.804 1.184 ( 0.000 -7.356 -3.406) 8.106 1.264 ( -0.000 -3.367 -0.027) 3.367 1.612 ( -0.000 -1.734 0.315) 1.762 1.676 ( 0.000 -6.998 -0.846) 7.049 1.769 ( 0.000 -3.580 -0.336) 3.596 2.171 ( -0.000 2.625 1.991) 3.294 2.365 ( 0.000 -9.566 -0.481) 9.578 2.665 ( 0.000 -5.298 -0.526) 5.324 2.734 ( -0.000 4.640 0.333) 4.652 2.774 ( 0.000 1.822 -0.494) 1.888 2.870 ( 0.000 2.268 -1.181) 2.557 3.004 ( 0.000 12.672 -1.637) 12.777 3.029 ( -0.000 -1.169 3.398) 3.594 3.088 ( -0.000 1.501 1.257) 1.958 3.260 ( 0.000 3.345 -2.379) 4.105 3.335 ( -0.000 4.546 3.518) 5.748 3.446 ( 0.000 8.870 -0.250) 8.874 3.735 ( -0.000 3.391 1.143) 3.578 3.846 ( 0.000 -0.809 -0.635) 1.028 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.032 -8.991 -3.486) 9.643 1.150 ( 2.701 0.319 3.817) 4.687 1.235 ( 6.781 -0.358 2.752) 7.327 1.250 ( 3.563 -5.735 -0.942) 6.817 1.550 ( -1.228 -8.245 1.073) 8.404 1.610 ( -0.584 -3.307 -1.260) 3.587 1.762 ( 2.742 -3.155 -0.427) 4.202 2.143 ( 1.388 -8.576 0.086) 8.689 2.292 ( -2.285 -1.077 0.785) 2.645 2.590 ( -0.094 -7.161 -1.748) 7.371 2.714 ( -3.756 1.503 0.085) 4.047 2.815 ( 1.432 1.908 0.377) 2.415 2.946 ( 2.227 6.766 0.501) 7.141 3.026 ( -1.674 1.886 1.671) 3.025 3.075 ( -1.737 3.995 1.259) 4.534 3.204 ( 4.803 9.087 -0.229) 10.281 3.292 ( 0.663 2.571 -2.392) 3.573 3.363 ( -0.911 3.003 2.598) 4.074 3.528 ( -1.799 9.378 1.080) 9.610 3.748 ( -3.973 4.659 0.119) 6.124 3.793 ( -4.323 0.270 -0.594) 4.372 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 -12.077 -4.627) 12.933 1.105 ( 0.000 -6.228 -0.611) 6.258 1.139 ( -0.000 -6.035 0.783) 6.086 1.197 ( -0.000 1.419 7.099) 7.240 1.470 ( -0.000 -9.971 0.980) 10.019 1.547 ( 0.000 -9.055 -2.083) 9.292 1.711 ( 0.000 -1.865 -0.202) 1.876 2.011 ( -0.000 -11.861 0.184) 11.863 2.325 ( -0.000 1.456 0.184) 1.468 2.494 ( 0.000 -10.116 -2.080) 10.328 2.776 ( 0.000 1.117 -0.276) 1.151 2.829 ( 0.000 4.300 0.055) 4.300 2.997 ( 0.000 7.390 0.119) 7.391 3.070 ( -0.000 3.873 4.363) 5.834 3.140 ( -0.000 2.776 1.255) 3.046 3.236 ( 0.000 8.970 -0.899) 9.015 3.301 ( 0.000 1.684 -2.145) 2.727 3.395 ( -0.000 0.266 3.666) 3.676 3.652 ( 0.000 9.157 -0.025) 9.157 3.821 ( 0.000 1.734 -2.449) 3.001 3.862 ( -0.000 7.291 1.483) 7.440 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.165 ( -0.000 0.000 19.940) 19.940 0.180 ( -0.000 0.000 15.199) 15.199 0.180 ( -0.000 0.000 15.199) 15.199 0.922 ( 0.000 -0.000 -5.312) 5.312 0.922 ( 0.000 -0.000 -5.312) 5.312 1.336 ( 0.000 -0.000 -8.038) 8.038 1.688 ( -0.000 0.000 1.003) 1.003 1.688 ( -0.000 0.000 1.003) 1.003 2.124 ( -0.000 0.000 11.016) 11.016 2.124 ( -0.000 0.000 11.016) 11.016 2.453 ( 0.000 -0.000 -0.016) 0.016 2.916 ( 0.000 -0.000 -2.250) 2.250 2.916 ( 0.000 -0.000 -2.250) 2.250 3.187 ( 0.000 -0.000 -6.367) 6.367 3.187 ( 0.000 -0.000 -6.367) 6.367 3.276 ( -0.000 0.000 1.840) 1.840 3.276 ( -0.000 0.000 1.840) 1.840 3.317 ( 0.000 -0.000 -1.837) 1.837 3.843 ( 0.000 -0.000 -2.041) 2.041 4.161 ( 0.000 -0.000 -5.527) 5.527 4.320 ( -0.000 0.000 3.640) 3.640 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 12.315 7.110 8.311) 16.471 0.460 ( 15.840 9.145 4.481) 18.832 0.663 ( 22.497 12.988 6.444) 26.764 0.961 ( 3.760 2.171 -4.620) 6.340 0.999 ( 6.751 3.898 -6.743) 10.307 1.315 ( 1.114 0.643 -7.405) 7.516 1.692 ( 0.019 0.011 0.746) 0.746 1.745 ( 2.618 1.512 -1.219) 3.260 2.203 ( 4.618 2.666 11.982) 13.115 2.388 ( -1.292 -0.746 1.562) 2.160 2.875 ( -2.568 -1.482 -2.898) 4.146 2.916 ( 0.088 0.051 -2.215) 2.218 3.068 ( 18.018 10.403 -26.786) 33.917 3.160 ( -1.554 -0.897 -6.076) 6.335 3.220 ( 4.241 2.449 -6.022) 7.762 3.258 ( -1.758 -1.015 1.356) 2.441 3.288 ( 0.313 0.181 0.936) 1.003 3.339 ( 4.203 2.426 -5.322) 7.202 3.729 ( -7.086 -4.091 6.052) 10.178 4.084 ( -5.320 -3.071 -4.440) 7.579 4.259 ( -5.274 -3.045 2.215) 6.480 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 11.486 6.632 3.608) 13.745 0.812 ( 13.163 7.600 0.505) 15.208 1.065 ( 5.165 2.982 -2.271) 6.382 1.122 ( 11.741 6.779 -3.212) 13.932 1.170 ( 11.163 6.445 -3.985) 13.492 1.398 ( 7.172 4.141 0.878) 8.328 1.692 ( 0.046 0.027 0.228) 0.234 1.828 ( 5.045 2.913 -1.589) 6.038 2.341 ( -2.339 -1.350 -0.355) 2.724 2.368 ( 7.226 4.172 10.460) 13.380 2.803 ( -2.670 -1.542 -2.509) 3.975 2.887 ( -2.160 -1.247 -1.129) 2.738 3.089 ( -3.769 -2.176 -4.760) 6.450 3.126 ( -2.719 -1.570 -4.695) 5.648 3.204 ( -2.702 -1.560 0.242) 3.130 3.262 ( -0.664 -0.384 -2.640) 2.750 3.352 ( 2.651 1.530 -0.415) 3.089 3.507 ( 8.493 4.903 -10.077) 14.061 3.571 ( -7.028 -4.057 7.124) 10.798 3.911 ( -8.303 -4.794 -2.983) 10.041 4.101 ( -7.993 -4.615 0.762) 9.261 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 8.534 4.927 -0.813) 9.887 1.055 ( 7.630 4.405 -1.995) 9.033 1.168 ( 3.269 1.888 0.573) 3.818 1.248 ( 2.926 1.690 -1.985) 3.919 1.425 ( 9.153 5.284 -2.417) 10.842 1.580 ( 5.085 2.936 2.476) 6.372 1.707 ( 1.478 0.853 -0.074) 1.708 2.004 ( 10.037 5.795 -0.517) 11.601 2.300 ( -0.473 -0.273 -1.634) 1.722 2.555 ( 6.867 3.965 6.631) 10.336 2.761 ( -0.416 -0.240 -1.344) 1.427 2.814 ( -3.868 -2.233 -0.956) 4.568 2.968 ( -5.735 -3.311 -2.086) 6.943 3.032 ( -4.025 -2.324 -2.734) 5.392 3.144 ( -2.213 -1.278 -1.060) 2.766 3.224 ( -2.242 -1.294 -2.477) 3.583 3.287 ( -8.084 -4.667 0.603) 9.354 3.476 ( -1.467 -0.847 2.530) 3.045 3.595 ( -3.492 -2.016 -3.693) 5.468 3.765 ( -0.428 -0.247 -1.005) 1.120 3.916 ( -7.240 -4.180 0.492) 8.374 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 6.662 3.846 -4.301) 8.813 1.145 ( -0.068 -0.040 0.020) 0.082 1.225 ( 2.513 1.451 -1.221) 3.149 1.241 ( -3.598 -2.077 2.384) 4.790 1.612 ( 3.667 2.117 -0.248) 4.242 1.641 ( 4.413 2.548 -0.233) 5.101 1.763 ( 3.100 1.790 0.154) 3.583 2.149 ( -0.578 -0.333 -2.424) 2.514 2.368 ( 6.539 3.775 0.809) 7.594 2.687 ( 2.957 1.707 1.314) 3.658 2.712 ( -4.001 -2.310 -0.733) 4.678 2.743 ( -2.742 -1.583 -0.505) 3.207 2.874 ( 0.242 0.140 1.104) 1.139 2.936 ( -4.294 -2.479 -1.892) 5.307 3.104 ( -1.008 -0.582 -0.662) 1.339 3.108 ( -4.468 -2.579 1.645) 5.415 3.159 ( -3.169 -1.830 -3.056) 4.767 3.404 ( -6.486 -3.745 -0.320) 7.497 3.446 ( -4.986 -2.879 0.097) 5.758 3.770 ( -2.607 -1.505 -1.602) 3.409 3.830 ( 1.148 0.663 1.214) 1.798 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -3.098 -1.789 2.111) 4.154 1.115 ( -6.109 -3.527 2.409) 7.454 1.195 ( 5.156 2.977 -4.046) 7.198 1.275 ( 1.872 1.081 -2.950) 3.657 1.605 ( -0.995 -0.574 1.968) 2.278 1.785 ( 4.183 2.415 -3.173) 5.779 1.834 ( 2.605 1.504 0.540) 3.055 2.041 ( -5.708 -3.295 -1.649) 6.794 2.451 ( -0.422 -0.244 2.170) 2.224 2.600 ( -5.508 -3.180 0.355) 6.370 2.651 ( -2.400 -1.386 -0.906) 2.916 2.773 ( 2.121 1.224 -0.145) 2.453 2.878 ( 1.352 0.780 0.588) 1.668 2.933 ( 3.042 1.757 -0.920) 3.632 3.074 ( -3.397 -1.961 -1.686) 4.269 3.088 ( 0.891 0.515 -0.714) 1.253 3.095 ( 0.100 0.058 1.481) 1.485 3.262 ( -4.059 -2.344 -0.484) 4.712 3.345 ( -3.977 -2.296 0.747) 4.653 3.720 ( -1.432 -0.827 -0.508) 1.730 3.856 ( 0.504 0.291 -0.281) 0.646 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -4.018 -2.320 3.868) 6.040 1.042 ( -1.656 -0.956 2.745) 3.345 1.296 ( 3.855 2.226 -4.012) 5.992 1.303 ( 1.016 0.586 -2.919) 3.146 1.594 ( -0.552 -0.318 0.863) 1.072 1.778 ( -1.419 -0.820 -2.457) 2.954 1.878 ( 0.941 0.543 0.796) 1.347 1.987 ( 0.089 0.051 0.342) 0.357 2.416 ( -1.982 -1.144 0.341) 2.313 2.508 ( -2.105 -1.216 2.104) 3.215 2.590 ( -1.610 -0.930 -0.641) 1.967 2.800 ( 0.467 0.269 -2.562) 2.618 2.933 ( 1.242 0.717 0.776) 1.630 2.988 ( 1.716 0.990 -2.057) 2.856 3.027 ( 0.200 0.115 0.006) 0.231 3.100 ( 0.135 0.078 1.166) 1.176 3.100 ( -0.322 -0.186 3.010) 3.033 3.222 ( 0.036 0.021 -1.187) 1.188 3.272 ( -2.316 -1.337 0.189) 2.681 3.697 ( -0.461 -0.266 -0.648) 0.838 3.856 ( -0.128 -0.074 -0.927) 0.938 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.678 0.969 2.240) 2.961 1.040 ( 1.037 0.599 2.542) 2.810 1.312 ( 0.250 0.144 -2.248) 2.267 1.346 ( 0.367 0.212 -0.849) 0.948 1.570 ( -0.618 -0.357 -0.756) 1.039 1.834 ( 5.220 3.014 1.247) 6.156 1.879 ( -1.012 -0.584 0.867) 1.455 1.968 ( -1.538 -0.888 -0.739) 1.923 2.390 ( 0.646 0.373 -1.340) 1.533 2.519 ( 2.628 1.518 2.935) 4.222 2.594 ( 1.997 1.153 -0.305) 2.326 2.790 ( -0.809 -0.467 -3.282) 3.413 2.930 ( -2.045 -1.181 0.371) 2.391 2.997 ( -0.806 -0.465 -2.232) 2.419 3.060 ( 2.341 1.351 2.694) 3.816 3.087 ( -1.095 -0.632 2.878) 3.144 3.113 ( 0.553 0.319 1.535) 1.663 3.223 ( -0.228 -0.132 -0.684) 0.733 3.245 ( 0.919 0.530 -1.878) 2.157 3.693 ( 0.242 0.140 -0.934) 0.975 3.855 ( 0.194 0.112 -1.031) 1.055 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 4.689 2.707 -1.460) 5.608 1.087 ( 2.312 1.335 1.165) 2.912 1.297 ( -4.463 -2.577 2.093) 5.563 1.305 ( -0.756 -0.436 -0.864) 1.228 1.586 ( 1.664 0.961 0.341) 1.951 1.826 ( -5.629 -3.250 0.021) 6.500 1.836 ( -2.680 -1.547 0.667) 3.166 2.052 ( 7.496 4.328 -1.538) 8.792 2.444 ( 2.155 1.244 1.949) 3.160 2.631 ( 6.001 3.465 2.659) 7.422 2.664 ( 2.911 1.680 -0.081) 3.362 2.750 ( -2.159 -1.246 -1.900) 3.134 2.857 ( -1.148 -0.663 -0.606) 1.458 2.936 ( -3.961 -2.287 -1.027) 4.687 3.076 ( 0.075 0.043 0.518) 0.525 3.095 ( -2.024 -1.168 -1.477) 2.764 3.147 ( 3.797 2.192 4.365) 6.187 3.261 ( 4.318 2.493 -2.612) 5.629 3.303 ( 3.881 2.240 -0.047) 4.481 3.705 ( 1.007 0.581 -1.418) 1.834 3.856 ( -0.166 -0.096 -0.380) 0.426 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.971 0.561 -0.762) 1.356 1.147 ( 1.412 0.815 -4.833) 5.101 1.164 ( -5.275 -3.045 3.292) 6.923 1.261 ( -3.399 -1.962 0.826) 4.010 1.613 ( -0.552 -0.319 -0.178) 0.662 1.669 ( -7.081 -4.088 1.450) 8.304 1.767 ( -3.024 -1.746 0.365) 3.511 2.179 ( 1.361 0.786 -0.797) 1.762 2.363 ( -7.323 -4.228 0.238) 8.459 2.663 ( -5.162 -2.980 0.013) 5.960 2.734 ( 4.098 2.366 0.424) 4.751 2.771 ( 2.199 1.270 0.882) 2.689 2.864 ( 1.567 0.905 0.740) 1.955 2.993 ( 9.957 5.748 2.187) 11.703 3.049 ( -0.074 -0.043 -3.699) 3.700 3.095 ( 1.581 0.913 -1.197) 2.183 3.241 ( 3.214 1.855 4.024) 5.474 3.359 ( 3.527 2.036 -4.901) 6.373 3.443 ( 8.210 4.740 1.003) 9.533 3.744 ( 2.962 1.710 -1.969) 3.947 3.842 ( -1.047 -0.605 1.008) 1.574 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -0.000 15.669 11.127) 19.218 0.519 ( -0.000 18.522 6.525) 19.638 0.623 ( -0.000 24.706 4.820) 25.172 0.934 ( 0.000 3.496 -6.106) 7.036 1.004 ( 0.000 8.789 -6.118) 10.708 1.288 ( 0.000 0.326 -8.919) 8.925 1.690 ( -0.000 -0.053 0.671) 0.673 1.744 ( 0.000 2.967 -1.040) 3.144 2.216 ( -0.000 4.741 12.392) 13.268 2.394 ( -0.000 -1.192 1.664) 2.047 2.884 ( 0.000 -2.365 -1.883) 3.023 2.910 ( 0.000 1.268 -2.589) 2.883 2.982 ( 0.000 20.531 -23.962) 31.555 3.140 ( 0.000 -1.949 -7.241) 7.499 3.203 ( 0.000 2.893 -5.309) 6.046 3.263 ( -0.000 -1.993 1.345) 2.404 3.294 ( -0.000 1.242 0.387) 1.301 3.330 ( 0.000 2.651 -2.997) 4.001 3.776 ( -0.000 -3.114 3.125) 4.411 4.079 ( 0.000 -5.787 -3.733) 6.887 4.256 ( -0.000 -6.906 0.594) 6.932 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 4.312 13.932 8.562) 16.911 0.778 ( 6.044 16.875 2.445) 18.090 0.979 ( 10.148 10.880 -2.484) 15.084 1.026 ( 6.855 8.471 -3.107) 11.331 1.112 ( 3.274 8.921 -5.965) 11.220 1.330 ( 4.424 4.353 -2.663) 6.754 1.695 ( 0.285 0.305 0.405) 0.581 1.795 ( 2.229 3.928 -1.418) 4.734 2.336 ( 4.189 5.767 11.677) 13.681 2.361 ( -1.800 -2.061 -0.042) 2.737 2.817 ( -2.818 -2.854 -2.554) 4.755 2.902 ( -1.066 -1.233 -0.892) 1.858 3.091 ( 0.663 -1.795 -6.609) 6.880 3.121 ( -0.074 -1.397 -6.161) 6.318 3.213 ( -1.715 -2.515 -0.518) 3.088 3.287 ( 1.997 3.900 -2.413) 5.002 3.305 ( 1.651 0.661 0.083) 1.780 3.396 ( 6.093 3.983 -6.679) 9.879 3.691 ( -7.126 -1.328 3.919) 8.240 3.961 ( -4.739 -7.301 -3.014) 9.211 4.137 ( -3.895 -8.921 -0.779) 9.766 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 4.979 9.901 3.890) 11.746 1.019 ( 5.142 10.500 -1.363) 11.770 1.150 ( 4.725 5.879 -0.667) 7.572 1.196 ( 4.520 4.146 -5.227) 8.059 1.325 ( 8.297 7.475 -2.406) 11.424 1.506 ( 7.143 5.047 2.371) 9.062 1.713 ( 0.462 2.259 0.251) 2.319 1.917 ( 6.620 6.798 -0.978) 9.539 2.303 ( -1.737 -2.137 -1.367) 3.074 2.498 ( 5.493 4.667 8.482) 11.131 2.740 ( -1.328 -3.433 -2.100) 4.237 2.857 ( -2.144 -1.177 -0.194) 2.453 3.029 ( -3.991 -2.331 -4.893) 6.731 3.063 ( -2.094 -2.854 -1.591) 3.881 3.137 ( -2.229 -4.043 -0.679) 4.666 3.265 ( -2.789 0.497 -1.848) 3.383 3.357 ( -0.255 -0.620 -1.154) 1.334 3.536 ( -6.687 -2.879 5.224) 8.961 3.552 ( 5.098 2.104 -5.344) 7.679 3.785 ( -5.464 -6.273 -1.032) 8.383 3.959 ( -5.214 -8.883 -1.174) 10.367 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 4.161 6.557 -0.626) 7.791 1.162 ( 1.519 5.401 -1.993) 5.954 1.240 ( 0.051 4.510 1.094) 4.641 1.277 ( 0.702 2.755 -0.767) 2.945 1.523 ( 7.957 5.090 -1.834) 9.622 1.609 ( 2.386 -0.481 1.034) 2.644 1.760 ( 1.008 4.143 0.306) 4.275 2.119 ( 5.007 4.534 -0.939) 6.820 2.284 ( 3.843 -0.532 -0.558) 3.919 2.632 ( 4.364 1.534 3.760) 5.961 2.697 ( 0.270 -3.499 -1.233) 3.720 2.818 ( -2.631 1.448 0.063) 3.004 2.912 ( -4.781 -1.849 -1.919) 5.474 2.984 ( -3.912 -1.557 -0.558) 4.248 3.075 ( 0.157 -3.776 -1.642) 4.121 3.208 ( -3.517 -0.645 -1.820) 4.012 3.230 ( -9.579 -1.486 0.463) 9.705 3.445 ( -2.112 -2.979 1.433) 3.923 3.512 ( -6.800 -4.012 -2.225) 8.203 3.742 ( 3.717 -2.292 -0.702) 4.423 3.801 ( -2.294 -6.971 0.212) 7.342 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 3.501 3.323 -1.813) 5.156 1.152 ( -3.898 0.690 -0.627) 4.008 1.260 ( -5.599 3.830 1.878) 7.038 1.297 ( -0.236 5.868 -1.550) 6.074 1.613 ( 0.179 -0.756 1.555) 1.738 1.704 ( 6.935 2.757 -1.625) 7.638 1.825 ( 1.498 3.892 0.241) 4.177 2.087 ( -4.738 -4.179 -2.113) 6.662 2.407 ( 5.007 -0.450 1.278) 5.187 2.658 ( -1.786 -1.575 -1.210) 2.671 2.702 ( 0.394 1.330 0.252) 1.410 2.749 ( -2.844 0.347 0.218) 2.873 2.888 ( 1.250 0.346 0.904) 1.581 2.912 ( -2.456 -0.022 0.576) 2.522 3.044 ( -0.139 -3.001 -2.943) 4.205 3.102 ( -2.329 0.619 0.331) 2.433 3.155 ( -2.542 0.654 -0.157) 2.629 3.318 ( -6.716 -4.055 -0.617) 7.869 3.382 ( -3.591 -3.438 0.319) 4.982 3.706 ( -0.325 -4.302 -0.823) 4.392 3.800 ( 3.801 -3.847 0.180) 5.411 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -5.162 0.172 2.560) 5.765 1.183 ( -6.200 6.268 1.118) 8.887 1.228 ( 2.413 2.197 -2.433) 4.070 1.340 ( -1.040 5.316 -1.667) 5.667 1.609 ( -0.657 0.506 1.206) 1.463 1.787 ( 0.354 -0.186 -2.795) 2.824 1.879 ( 0.629 2.513 0.165) 2.596 1.969 ( -1.195 -3.347 0.015) 3.554 2.422 ( -0.382 -2.205 0.559) 2.306 2.588 ( -5.056 1.522 1.217) 5.418 2.639 ( -4.168 0.794 -0.535) 4.276 2.800 ( 1.480 1.499 -0.587) 2.187 2.906 ( 2.133 1.016 0.198) 2.371 2.934 ( 2.888 -1.791 0.643) 3.459 3.010 ( -0.024 -1.534 -2.633) 3.048 3.096 ( 0.441 0.149 0.875) 0.991 3.135 ( -2.375 0.921 0.849) 2.686 3.217 ( -0.350 -1.660 -0.384) 1.739 3.291 ( -2.866 -3.029 0.444) 4.194 3.671 ( 0.919 -3.635 -0.598) 3.797 3.812 ( 2.512 -4.283 -0.812) 5.031 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -2.710 3.289 2.742) 5.068 1.149 ( -6.001 8.950 2.975) 11.178 1.290 ( 2.897 0.695 -3.768) 4.803 1.360 ( -1.546 3.183 -0.654) 3.599 1.592 ( -1.840 0.463 -1.286) 2.292 1.793 ( 2.164 2.636 1.274) 3.641 1.899 ( -0.637 1.193 0.405) 1.412 1.953 ( 0.830 -3.302 -0.309) 3.419 2.388 ( -0.843 -0.679 -2.088) 2.352 2.554 ( -2.064 4.373 2.896) 5.636 2.608 ( -1.191 2.724 -0.026) 2.973 2.802 ( -1.324 0.565 -3.134) 3.449 2.935 ( 0.181 -1.445 -0.092) 1.460 2.953 ( 1.991 -3.028 1.550) 3.941 3.030 ( 2.600 0.358 -1.591) 3.070 3.102 ( -0.980 -0.464 1.909) 2.195 3.125 ( 1.701 1.133 3.019) 3.646 3.215 ( -0.162 -0.449 -0.893) 1.013 3.229 ( -0.703 -2.521 -1.037) 2.815 3.659 ( 1.654 -3.116 -0.803) 3.618 3.808 ( 2.448 -4.205 -1.233) 5.019 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.644 5.309 1.319) 5.508 1.165 ( -3.612 9.441 1.590) 10.233 1.319 ( 0.109 -0.522 -1.718) 1.799 1.342 ( -2.691 1.345 0.171) 3.013 1.581 ( 0.036 1.470 -0.367) 1.515 1.841 ( -1.507 -3.305 0.316) 3.647 1.893 ( -2.871 0.283 -0.014) 2.885 1.956 ( 5.976 2.028 -0.519) 6.332 2.405 ( 2.914 1.267 -0.067) 3.179 2.618 ( 2.162 5.954 2.802) 6.927 2.650 ( 1.572 4.476 0.117) 4.745 2.767 ( -1.782 -1.054 -2.405) 3.173 2.879 ( -2.415 -3.664 -1.136) 4.533 2.936 ( -0.720 -3.478 0.766) 3.633 3.059 ( 0.915 -0.813 -1.361) 1.830 3.121 ( 1.932 1.285 3.116) 3.885 3.158 ( -2.895 2.647 1.360) 4.152 3.212 ( 2.659 0.291 -1.713) 3.176 3.239 ( 4.451 -0.359 -0.377) 4.482 3.661 ( 2.272 -2.861 -1.059) 3.803 3.810 ( 2.658 -4.176 -0.933) 5.037 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.972 4.187 -1.047) 4.424 1.195 ( -2.930 4.274 -1.133) 5.304 1.253 ( -4.837 0.644 2.034) 5.286 1.321 ( -2.991 2.026 -0.553) 3.655 1.607 ( 0.940 0.561 0.477) 1.194 1.724 ( -4.909 -6.082 -0.155) 7.818 1.830 ( -4.276 0.463 0.415) 4.321 2.107 ( 6.934 2.203 -1.736) 7.480 2.429 ( -3.342 -3.641 1.721) 5.233 2.679 ( 0.556 -1.597 -0.931) 1.930 2.700 ( -1.609 -1.370 0.907) 2.299 2.761 ( 2.989 5.920 0.281) 6.637 2.859 ( 0.596 -0.823 0.335) 1.070 2.918 ( 4.289 3.849 0.642) 5.799 3.059 ( -0.333 -0.765 -2.905) 3.023 3.100 ( -1.265 1.735 0.109) 2.150 3.215 ( 3.185 2.733 4.098) 5.866 3.287 ( 4.955 1.089 -4.919) 7.066 3.356 ( 6.433 3.317 1.330) 7.359 3.682 ( 3.464 -2.168 -1.270) 4.279 3.806 ( 2.029 -4.685 0.036) 5.106 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.000 15.135 10.147) 18.222 0.888 ( -0.000 15.427 2.883) 15.694 1.004 ( 0.000 5.078 -4.577) 6.836 1.022 ( 0.000 9.565 -8.787) 12.988 1.186 ( 0.000 12.639 -4.149) 13.303 1.363 ( -0.000 10.723 0.820) 10.754 1.693 ( -0.000 0.296 0.220) 0.369 1.823 ( 0.000 5.707 -1.188) 5.829 2.355 ( 0.000 -2.419 -0.954) 2.601 2.389 ( -0.000 7.492 10.535) 12.928 2.823 ( 0.000 -2.741 -0.639) 2.815 2.891 ( 0.000 -2.274 -1.219) 2.580 3.058 ( 0.000 -3.410 -6.849) 7.651 3.073 ( 0.000 -1.311 -3.855) 4.072 3.206 ( -0.000 -3.832 0.517) 3.867 3.270 ( 0.000 3.230 -1.939) 3.767 3.330 ( 0.000 2.092 -0.645) 2.189 3.354 ( 0.000 0.245 -2.869) 2.880 3.753 ( -0.000 -1.264 1.332) 1.836 3.916 ( 0.000 -8.125 -2.754) 8.579 4.064 ( 0.000 -10.958 -1.804) 11.105 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.187 12.345 7.336) 14.361 1.043 ( 1.919 5.417 -5.272) 7.799 1.105 ( 7.020 9.602 1.133) 11.948 1.141 ( 6.055 3.677 -6.006) 9.288 1.326 ( 1.825 11.118 -2.826) 11.616 1.503 ( 1.712 9.579 2.449) 10.034 1.715 ( 1.645 1.715 0.204) 2.386 1.915 ( 2.622 9.378 -0.698) 9.763 2.309 ( -1.804 -2.589 -2.004) 3.738 2.503 ( 2.177 6.495 8.101) 10.609 2.752 ( -3.743 -2.533 -1.154) 4.665 2.861 ( -0.285 -2.459 -0.031) 2.475 3.011 ( 0.367 -3.613 -5.565) 6.645 3.050 ( -0.529 -3.503 -0.878) 3.650 3.145 ( -2.169 -3.850 -0.644) 4.465 3.300 ( 0.136 -0.902 -1.412) 1.681 3.323 ( 0.749 -1.029 -2.086) 2.444 3.419 ( 5.976 -0.343 1.568) 6.188 3.664 ( -6.108 -4.629 -0.618) 7.689 3.810 ( -4.131 -4.235 -1.062) 6.010 3.924 ( -2.782 -10.480 -1.917) 11.011 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.642 8.204 2.606) 8.632 1.150 ( 4.784 3.237 -2.293) 6.214 1.261 ( 3.512 4.797 -0.979) 6.025 1.295 ( 3.959 6.393 -0.553) 7.540 1.462 ( 4.345 7.079 -1.166) 8.388 1.577 ( 0.385 1.519 -0.137) 1.573 1.782 ( 2.117 3.990 0.452) 4.540 2.096 ( 5.421 10.321 -0.237) 11.660 2.244 ( -1.677 -3.113 -1.426) 3.813 2.607 ( 2.296 3.543 4.686) 6.308 2.671 ( -1.988 -2.453 -0.971) 3.303 2.842 ( 0.221 -0.595 0.413) 0.757 2.947 ( -2.651 -3.562 -4.480) 6.308 3.012 ( 0.048 -1.711 -0.558) 1.800 3.057 ( -3.253 -3.518 -0.689) 4.841 3.248 ( -2.916 -2.309 -0.312) 3.732 3.314 ( -1.464 -3.630 -2.200) 4.491 3.455 ( -1.901 -5.265 2.436) 6.105 3.545 ( 0.724 -2.842 -1.598) 3.339 3.684 ( -4.970 -3.081 0.986) 5.930 3.770 ( -3.115 -7.907 -1.757) 8.679 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.710 4.704 1.165) 4.898 1.211 ( -0.285 1.527 -2.131) 2.637 1.353 ( 0.825 5.872 -0.104) 5.930 1.381 ( -1.142 6.331 -0.024) 6.433 1.585 ( 1.471 -0.485 -0.591) 1.658 1.612 ( 6.229 3.056 0.150) 6.940 1.853 ( 0.920 4.012 0.338) 4.130 2.146 ( -5.364 -0.489 -0.981) 5.475 2.296 ( 7.471 1.564 -0.018) 7.633 2.628 ( 0.098 -2.638 -0.917) 2.794 2.678 ( 2.444 1.829 1.759) 3.523 2.842 ( -3.503 0.741 -1.077) 3.739 2.877 ( 0.810 -0.733 -1.112) 1.559 2.957 ( -4.102 -1.559 1.018) 4.505 3.015 ( 0.931 -0.866 -1.735) 2.151 3.166 ( -3.211 -3.439 0.074) 4.706 3.187 ( -4.536 -3.175 -1.174) 5.660 3.395 ( -2.428 -1.959 1.732) 3.568 3.434 ( -8.138 -3.132 -1.456) 8.841 3.655 ( 0.637 -6.974 0.217) 7.007 3.664 ( 3.215 -5.015 -0.440) 5.973 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.119 1.256 1.690) 2.987 1.208 ( -0.996 3.995 -3.048) 5.123 1.371 ( -4.200 5.425 0.435) 6.875 1.422 ( -1.368 5.590 0.804) 5.811 1.620 ( 1.168 1.473 0.235) 1.894 1.733 ( 5.044 0.877 -0.938) 5.205 1.893 ( 0.520 1.083 0.087) 1.204 2.024 ( -7.267 0.890 -0.619) 7.347 2.392 ( 2.474 -0.456 0.263) 2.530 2.625 ( 2.134 -1.346 -1.136) 2.767 2.747 ( 2.984 1.544 0.633) 3.419 2.759 ( -5.605 1.372 -0.825) 5.829 2.886 ( -0.406 -1.641 2.687) 3.175 2.906 ( -0.184 -0.291 0.823) 0.892 3.011 ( -0.931 0.879 -3.389) 3.623 3.094 ( -1.113 -1.892 -0.439) 2.238 3.149 ( 2.062 -1.652 -0.093) 2.644 3.249 ( -7.627 -2.298 -0.592) 7.988 3.329 ( -3.960 -1.771 1.392) 4.555 3.597 ( 1.447 -6.053 -0.394) 6.236 3.687 ( 4.668 -6.867 -0.606) 8.325 ======================= Grid point 403 (146/231) ======================= q-point: ( 0.69 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -4.223 4.261 1.439) 6.169 1.241 ( 1.695 1.559 -3.221) 3.960 1.360 ( -4.631 7.727 2.033) 9.235 1.435 ( -2.366 3.230 1.195) 4.179 1.634 ( -1.622 2.314 -1.535) 3.216 1.806 ( 2.206 2.142 0.428) 3.105 1.883 ( 0.211 -3.635 0.360) 3.659 1.959 ( -3.569 5.041 -0.046) 6.176 2.398 ( -0.916 0.587 -2.182) 2.439 2.650 ( -0.613 3.578 0.744) 3.706 2.682 ( -4.635 3.147 0.455) 5.621 2.813 ( 1.611 -0.450 -0.193) 1.683 2.875 ( 1.562 -3.657 2.652) 4.780 2.909 ( 1.402 -1.143 -0.088) 1.811 2.995 ( 0.102 0.421 -3.305) 3.333 3.081 ( 1.635 -1.858 0.886) 2.630 3.138 ( -2.877 0.411 0.670) 2.982 3.176 ( 1.911 -3.178 -0.591) 3.755 3.255 ( -2.869 -0.277 0.869) 3.010 3.575 ( 2.635 -5.452 -0.506) 6.076 3.688 ( 4.056 -7.258 -1.237) 8.406 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.827 6.313 1.237) 6.688 1.273 ( 1.208 -0.100 -3.136) 3.362 1.372 ( -4.162 8.897 2.814) 10.218 1.415 ( -2.932 2.222 0.790) 3.763 1.621 ( -2.300 3.047 -1.617) 4.146 1.834 ( -1.523 -4.104 0.393) 4.395 1.874 ( 3.237 -0.091 0.679) 3.309 1.967 ( -2.070 6.490 -0.033) 6.812 2.389 ( 0.085 1.590 -2.400) 2.880 2.661 ( -1.586 2.440 0.690) 2.990 2.702 ( 0.229 6.954 1.740) 7.172 2.781 ( -1.622 -1.343 -1.285) 2.467 2.849 ( -0.240 -5.348 0.696) 5.399 2.918 ( 0.603 -1.824 1.141) 2.234 3.028 ( 2.011 0.328 -2.663) 3.354 3.105 ( 1.897 -0.386 2.068) 2.833 3.153 ( 3.051 -0.302 1.069) 3.247 3.165 ( 1.758 -1.376 -2.510) 3.359 3.227 ( -1.591 2.007 1.478) 2.957 3.571 ( 3.047 -5.140 -0.646) 6.010 3.686 ( 4.348 -7.093 -1.277) 8.417 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.791 6.027 0.680) 6.117 1.251 ( -2.050 -2.100 -1.625) 3.354 1.391 ( -3.389 3.853 -0.275) 5.138 1.399 ( -3.398 7.573 1.684) 8.469 1.612 ( -1.035 1.334 -0.517) 1.766 1.731 ( -3.665 -6.377 -0.597) 7.379 1.892 ( -1.097 -0.169 0.138) 1.119 2.040 ( 2.828 5.999 -0.545) 6.654 2.421 ( 0.995 -0.823 0.507) 1.387 2.639 ( 0.492 -3.316 -1.324) 3.604 2.735 ( -3.345 -2.538 0.382) 4.216 2.786 ( 1.045 4.658 -0.947) 4.866 2.841 ( 2.792 4.163 2.951) 5.816 2.902 ( -0.105 -0.603 0.589) 0.850 3.038 ( 0.531 -0.798 -2.590) 2.762 3.126 ( -0.161 -1.385 0.529) 1.491 3.190 ( 4.146 -1.344 -2.515) 5.032 3.205 ( 2.941 3.297 0.569) 4.454 3.308 ( 4.183 5.403 1.980) 7.114 3.581 ( 3.900 -4.157 -0.560) 5.728 3.687 ( 4.139 -7.249 -0.753) 8.382 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 1.249 -7.815) 7.914 1.074 ( 0.000 3.944 -2.634) 4.742 1.075 ( -0.000 10.170 6.560) 12.102 1.154 ( -0.000 8.487 1.150) 8.565 1.426 ( 0.000 10.992 -2.842) 11.353 1.595 ( -0.000 7.272 2.084) 7.564 1.712 ( 0.000 1.835 -0.158) 1.842 2.007 ( 0.000 12.839 -0.128) 12.840 2.297 ( 0.000 -2.253 -2.455) 3.332 2.571 ( -0.000 6.790 5.770) 8.910 2.787 ( -0.000 -0.756 0.804) 1.103 2.816 ( 0.000 -4.445 -1.272) 4.623 2.959 ( 0.000 -4.121 -4.010) 5.750 3.016 ( -0.000 -2.567 0.532) 2.621 3.123 ( 0.000 -3.898 -0.516) 3.932 3.243 ( 0.000 -8.162 -2.399) 8.507 3.278 ( 0.000 -1.259 -2.393) 2.704 3.398 ( -0.000 0.513 3.432) 3.470 3.626 ( 0.000 -10.226 -2.455) 10.516 3.831 ( 0.000 -1.560 -2.164) 2.668 3.853 ( -0.000 -6.650 0.547) 6.672 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.388 1.777 -5.243) 6.490 1.140 ( 1.411 4.615 2.532) 5.450 1.206 ( 5.099 4.587 1.210) 6.965 1.261 ( 4.246 4.206 0.112) 5.978 1.521 ( -0.261 9.087 -1.718) 9.251 1.625 ( -2.171 2.512 0.242) 3.329 1.767 ( 3.057 3.179 0.073) 4.411 2.131 ( 1.143 5.984 -1.167) 6.203 2.274 ( -1.809 3.796 -0.603) 4.248 2.634 ( -0.312 3.627 2.581) 4.462 2.714 ( -3.744 -0.850 -0.061) 3.840 2.809 ( 1.413 -2.696 0.295) 3.058 2.916 ( 0.173 -3.566 -2.722) 4.490 3.000 ( -0.030 -1.137 -0.189) 1.153 3.061 ( -2.002 -3.964 -0.636) 4.487 3.203 ( 4.522 -8.919 -0.668) 10.022 3.258 ( 0.188 -2.381 -3.584) 4.307 3.396 ( 0.764 -3.554 4.161) 5.525 3.500 ( -1.893 -8.317 -1.827) 8.724 3.748 ( -2.866 -5.728 -0.386) 6.417 3.795 ( -5.283 0.754 -0.230) 5.341 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 4.571 2.437 -1.802) 5.485 1.183 ( -0.069 1.610 0.741) 1.773 1.347 ( 5.008 3.357 0.044) 6.030 1.391 ( 6.508 2.889 -0.423) 7.133 1.591 ( -2.454 3.316 -0.729) 4.189 1.600 ( 0.249 4.068 0.521) 4.109 1.855 ( 2.690 2.780 0.167) 3.872 2.141 ( 2.194 -5.317 -0.655) 5.789 2.313 ( -2.921 8.899 -1.030) 9.423 2.624 ( -1.839 -1.427 -0.624) 2.410 2.687 ( -0.810 2.347 1.503) 2.903 2.818 ( 2.670 -1.796 -0.041) 3.218 2.886 ( -0.617 -0.486 -1.623) 1.803 2.986 ( -1.221 -2.688 -1.533) 3.326 2.998 ( -0.001 -0.655 0.357) 0.746 3.156 ( -1.018 -5.733 0.142) 5.824 3.209 ( -2.376 -4.147 -2.671) 5.476 3.374 ( 1.496 -5.624 3.333) 6.707 3.428 ( 1.918 -5.831 -1.043) 6.226 3.631 ( -4.774 -3.347 0.730) 5.876 3.683 ( -7.148 -0.502 -0.645) 7.195 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.542 1.401 0.083) 1.505 1.247 ( 1.988 1.858 -1.222) 2.983 1.431 ( 1.432 1.490 0.301) 2.089 1.489 ( -0.056 3.444 -0.365) 3.464 1.602 ( 2.408 3.095 -0.818) 4.005 1.671 ( 2.587 2.710 1.007) 3.880 1.892 ( -0.140 -0.244 0.070) 0.290 2.146 ( 0.587 0.610 0.328) 0.908 2.342 ( 0.774 3.477 -1.095) 3.727 2.577 ( -0.645 -1.617 -0.799) 1.915 2.707 ( 0.849 0.660 0.408) 1.150 2.843 ( -0.212 -0.989 -0.339) 1.067 2.880 ( 0.095 1.379 0.138) 1.389 2.936 ( -2.012 -0.634 0.469) 2.162 3.015 ( 1.336 0.275 -0.809) 1.586 3.092 ( -0.785 -4.007 -0.584) 4.125 3.103 ( -3.038 -2.625 -0.892) 4.113 3.337 ( -1.034 -5.691 1.079) 5.884 3.376 ( -3.503 -2.129 0.185) 4.104 3.552 ( 0.188 -5.388 -0.157) 5.394 3.554 ( -3.876 -2.572 -0.068) 4.653 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.164 2.817 0.454) 2.858 1.262 ( -1.745 1.870 -1.265) 2.853 1.449 ( -0.341 2.272 0.243) 2.310 1.493 ( -1.520 0.772 1.150) 2.057 1.679 ( 0.809 4.426 -1.180) 4.651 1.736 ( 3.324 -0.867 -0.189) 3.440 1.872 ( -0.354 -1.288 0.233) 1.356 2.149 ( -5.997 9.674 0.639) 11.400 2.412 ( 2.053 2.604 -0.700) 3.389 2.599 ( 5.179 -0.606 -0.659) 5.256 2.728 ( 2.394 -2.144 -0.186) 3.219 2.807 ( -3.354 1.942 0.179) 3.880 2.870 ( -1.601 -1.658 1.866) 2.965 2.903 ( -2.153 -0.136 1.461) 2.606 3.000 ( -0.568 -2.589 -2.816) 3.868 3.052 ( 0.126 -0.014 -0.713) 0.724 3.100 ( 2.614 -2.337 0.106) 3.508 3.223 ( -5.769 -0.315 -0.502) 5.799 3.307 ( -2.961 -1.575 1.658) 3.741 3.476 ( 0.854 -5.213 -0.083) 5.283 3.538 ( 3.465 -6.931 -1.013) 7.815 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -2.294 4.657 -0.185) 5.195 1.254 ( 0.181 0.577 -0.748) 0.962 1.467 ( -1.820 -0.004 1.209) 2.185 1.478 ( 0.084 3.228 0.693) 3.303 1.707 ( -2.560 4.995 -1.335) 5.770 1.759 ( 2.443 -4.729 -0.486) 5.346 1.867 ( 0.398 -0.195 0.663) 0.798 2.149 ( -6.967 12.505 1.409) 14.384 2.429 ( -2.344 2.694 -2.541) 4.383 2.701 ( -0.288 -1.868 0.304) 1.915 2.715 ( 2.991 -0.540 -0.331) 3.057 2.797 ( 0.102 0.760 1.039) 1.291 2.812 ( -0.865 -4.063 0.248) 4.161 2.881 ( 0.756 0.310 2.368) 2.505 2.989 ( 1.455 0.154 -2.331) 2.752 3.061 ( 1.024 -0.965 -0.091) 1.410 3.108 ( 1.391 -2.029 -0.580) 2.527 3.173 ( -1.509 2.698 0.182) 3.097 3.263 ( -1.167 0.336 1.191) 1.701 3.461 ( 2.882 -5.216 -0.266) 5.966 3.529 ( 4.257 -7.252 -1.214) 8.497 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.401 1.570 0.040) 1.621 1.254 ( -1.054 1.589 -1.053) 2.179 1.443 ( -1.390 0.663 0.484) 1.614 1.509 ( -0.492 2.878 0.747) 3.014 1.684 ( -4.300 2.865 -1.150) 5.293 1.724 ( -1.306 -4.057 -0.254) 4.269 1.876 ( 0.941 -0.399 0.194) 1.040 2.152 ( -5.659 9.064 0.594) 10.702 2.406 ( -0.792 -0.780 -0.539) 1.235 2.605 ( -1.464 -4.005 -0.929) 4.364 2.741 ( -0.801 -3.447 -0.290) 3.551 2.800 ( 0.709 2.225 0.658) 2.426 2.858 ( 2.879 3.393 1.632) 4.740 2.901 ( 0.022 0.589 1.148) 1.290 3.026 ( 0.064 -0.024 -1.648) 1.649 3.055 ( 3.838 -2.941 -0.897) 4.918 3.124 ( 1.363 -0.785 -2.184) 2.691 3.211 ( 1.315 4.026 0.867) 4.323 3.293 ( 3.118 1.932 1.876) 4.120 3.472 ( 3.938 -3.048 -0.085) 4.980 3.537 ( 4.242 -5.902 -1.058) 7.345 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 1.183 -3.578) 3.769 1.124 ( -0.000 1.621 0.385) 1.666 1.239 ( -0.000 3.539 2.965) 4.617 1.248 ( 0.000 1.274 -1.626) 2.065 1.606 ( 0.000 6.305 -0.209) 6.308 1.671 ( 0.000 2.450 -1.282) 2.765 1.771 ( 0.000 3.856 -0.118) 3.857 2.131 ( 0.000 -3.664 -1.815) 4.088 2.377 ( -0.000 11.240 0.703) 11.262 2.679 ( -0.000 1.991 0.891) 2.182 2.717 ( 0.000 -4.387 -1.188) 4.545 2.774 ( 0.000 -1.496 -0.637) 1.626 2.888 ( -0.000 -1.237 0.556) 1.357 2.986 ( 0.000 -3.752 -2.848) 4.711 3.024 ( -0.000 -7.493 2.269) 7.829 3.076 ( -0.000 -0.054 0.137) 0.147 3.220 ( 0.000 -3.095 -4.359) 5.346 3.356 ( -0.000 -6.008 3.580) 6.994 3.435 ( 0.000 -6.653 -1.089) 6.742 3.731 ( -0.000 -3.011 0.344) 3.031 3.850 ( 0.000 0.402 -0.080) 0.410 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.951 1.093 -0.521) 4.132 1.183 ( 2.996 0.286 -0.812) 3.118 1.278 ( 4.003 1.381 0.323) 4.247 1.296 ( 4.465 0.261 -1.154) 4.619 1.627 ( -0.621 -0.439 1.391) 1.585 1.694 ( -2.024 6.618 -1.992) 7.202 1.833 ( 2.429 3.208 -0.231) 4.030 2.066 ( -0.550 -6.433 -0.678) 6.492 2.444 ( -2.983 5.398 -0.790) 6.218 2.652 ( -1.719 -1.027 -0.839) 2.171 2.711 ( 1.628 -0.234 -0.392) 1.690 2.751 ( 0.457 -2.201 -0.101) 2.250 2.895 ( 0.187 2.078 0.736) 2.212 2.936 ( 3.051 -7.194 0.686) 7.844 2.988 ( -2.346 -0.160 -1.239) 2.658 3.109 ( 1.402 0.738 0.375) 1.628 3.186 ( 0.480 -3.048 -3.247) 4.479 3.293 ( 0.020 -6.692 2.123) 7.021 3.368 ( -0.633 -4.740 0.424) 4.801 3.680 ( -3.265 -1.865 0.879) 3.861 3.804 ( -5.277 0.031 -0.083) 5.278 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 5.373 -0.544 0.532) 5.427 1.196 ( 0.299 0.185 -2.652) 2.676 1.381 ( 4.943 0.531 -0.608) 5.008 1.429 ( 8.018 1.309 0.230) 8.128 1.616 ( -0.054 0.390 0.844) 0.931 1.719 ( -1.858 5.602 0.101) 5.903 1.894 ( 0.572 0.998 -0.013) 1.151 2.023 ( 4.836 -5.259 -0.474) 7.160 2.409 ( -2.301 0.197 -1.348) 2.674 2.615 ( -2.577 1.625 -0.182) 3.052 2.745 ( -1.609 3.092 0.428) 3.512 2.761 ( 4.690 -2.870 -0.719) 5.545 2.908 ( -0.182 -0.609 -0.096) 0.643 2.932 ( -0.947 -0.779 1.547) 1.974 2.963 ( 2.717 -1.391 -1.256) 3.300 3.101 ( -2.210 -0.971 -1.543) 2.865 3.148 ( -2.659 -0.467 0.142) 2.703 3.241 ( 1.352 -6.120 0.567) 6.293 3.336 ( 1.909 -4.437 0.414) 4.848 3.585 ( -5.533 -1.506 0.741) 5.782 3.679 ( -8.446 -0.223 0.211) 8.452 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 1.538 1.219 -1.022) 2.213 1.252 ( 3.328 -0.812 0.439) 3.454 1.450 ( 1.930 1.133 0.078) 2.240 1.507 ( 0.577 -0.797 -1.070) 1.453 1.669 ( 4.142 2.596 0.348) 4.901 1.731 ( -2.112 2.416 0.615) 3.267 1.875 ( -1.149 -0.657 -0.254) 1.348 2.155 ( 11.377 0.267 -0.431) 11.388 2.405 ( 1.335 1.664 0.485) 2.188 2.594 ( -3.011 4.199 0.184) 5.170 2.729 ( -2.856 1.463 -0.353) 3.228 2.809 ( 2.910 -1.587 -0.104) 3.316 2.879 ( -1.906 -2.471 0.009) 3.121 2.926 ( 1.592 -0.748 -1.431) 2.267 2.978 ( -1.207 -2.867 0.342) 3.130 3.043 ( -0.825 0.228 0.638) 1.067 3.102 ( -2.673 0.873 -0.136) 2.816 3.221 ( 2.387 -4.604 -0.105) 5.187 3.317 ( -0.014 -3.511 -0.133) 3.514 3.475 ( -4.580 -1.934 0.154) 4.973 3.528 ( -7.504 -0.748 0.581) 7.564 ======================= Grid point 430 (160/231) ======================= q-point: ( 0.77 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.333 2.138 0.652) 2.603 1.270 ( -0.187 -0.312 -0.744) 0.828 1.481 ( 0.063 0.423 0.996) 1.084 1.487 ( -0.178 -0.163 -1.015) 1.043 1.704 ( -0.703 -1.397 0.062) 1.566 1.770 ( 2.513 4.007 -0.113) 4.731 1.849 ( -0.883 -1.421 -0.045) 1.674 2.349 ( 3.739 7.692 0.031) 8.553 2.464 ( 1.375 1.049 0.290) 1.753 2.617 ( 2.204 3.427 -0.097) 4.076 2.685 ( -1.167 -1.641 -0.220) 2.026 2.767 ( -3.964 -6.981 0.002) 8.028 2.830 ( -0.029 0.098 0.121) 0.159 2.908 ( -1.950 -1.408 0.320) 2.427 2.969 ( 1.976 1.762 -0.516) 2.698 3.046 ( -0.381 -0.930 0.144) 1.016 3.083 ( 0.124 0.245 -0.111) 0.296 3.222 ( 0.087 0.203 -0.160) 0.272 3.278 ( -1.049 -1.314 0.309) 1.710 3.400 ( -1.268 -2.184 0.061) 2.526 3.431 ( -1.185 -2.646 -0.182) 2.905 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.159 0.085 0.117) 1.168 1.286 ( -0.439 0.239 -0.305) 0.585 1.463 ( -0.916 -0.392 0.459) 1.097 1.506 ( 1.014 -0.361 -0.528) 1.199 1.701 ( 1.163 0.254 0.094) 1.194 1.778 ( -4.018 0.581 -0.365) 4.076 1.852 ( 1.891 -0.187 -0.167) 1.907 2.348 ( -8.777 -2.531 -0.051) 9.135 2.441 ( -2.397 2.657 1.107) 3.746 2.626 ( -3.596 0.635 -0.453) 3.680 2.700 ( 2.739 -0.534 -0.619) 2.859 2.767 ( 7.765 0.225 -0.046) 7.768 2.817 ( -0.997 -0.225 0.724) 1.253 2.891 ( 1.006 -2.048 0.500) 2.336 3.006 ( -0.163 1.989 -1.754) 2.656 3.030 ( 0.602 -0.231 0.901) 1.108 3.096 ( 0.946 -0.077 -0.794) 1.238 3.233 ( 0.013 1.861 -0.412) 1.907 3.253 ( 0.461 -2.620 1.302) 2.962 3.398 ( 2.237 0.138 0.009) 2.241 3.442 ( 3.427 0.845 -0.423) 3.555 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.000 1.008 2.098) 2.328 1.139 ( -0.000 -0.687 0.609) 0.918 1.235 ( 0.000 -0.589 -1.512) 1.622 1.257 ( 0.000 -0.583 -4.065) 4.106 1.617 ( -0.000 -2.408 1.647) 2.917 1.763 ( 0.000 4.167 -2.640) 4.933 1.847 ( 0.000 3.337 -0.274) 3.348 2.014 ( -0.000 -5.081 0.345) 5.092 2.495 ( 0.000 -1.861 -0.461) 1.917 2.643 ( 0.000 -3.748 -2.760) 4.655 2.643 ( 0.000 -3.435 -0.577) 3.483 2.742 ( -0.000 -1.505 2.223) 2.685 2.872 ( -0.000 1.262 1.004) 1.612 2.916 ( -0.000 2.856 0.285) 2.870 3.041 ( 0.000 1.690 -0.293) 1.716 3.108 ( -0.000 2.080 0.598) 2.165 3.142 ( 0.000 -1.780 -4.065) 4.437 3.238 ( -0.000 -5.115 1.699) 5.389 3.334 ( -0.000 -4.181 0.983) 4.295 3.697 ( -0.000 -1.187 0.974) 1.536 3.849 ( -0.000 -0.534 0.209) 0.574 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.664 -1.429 0.425) 3.053 1.168 ( 2.782 -0.011 -1.052) 2.975 1.275 ( 5.047 -0.912 -4.357) 6.730 1.304 ( 6.695 1.250 2.249) 7.173 1.600 ( 0.620 -2.133 1.962) 2.964 1.782 ( -0.106 2.304 -2.519) 3.415 1.886 ( 1.281 1.952 -0.386) 2.366 1.962 ( -1.870 -2.496 0.739) 3.205 2.425 ( -2.466 -4.201 0.372) 4.886 2.618 ( 1.741 -1.444 -1.682) 2.819 2.643 ( 3.614 -3.528 -1.329) 5.222 2.772 ( 3.059 -0.767 2.539) 4.049 2.891 ( -1.099 2.987 1.677) 3.597 2.947 ( 0.090 1.818 -0.519) 1.892 2.998 ( -4.250 1.133 -1.349) 4.601 3.125 ( -1.070 0.770 -2.527) 2.850 3.147 ( 0.945 -0.732 -0.316) 1.237 3.205 ( 0.362 -1.539 0.996) 1.869 3.283 ( -0.981 -4.162 1.259) 4.457 3.658 ( -3.414 -0.855 0.829) 3.616 3.798 ( -5.021 -0.579 0.563) 5.086 ======================= Grid point 442 (164/231) ======================= q-point: ( 0.69 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 4.866 -1.698 -1.389) 5.337 1.214 ( 1.553 1.505 1.294) 2.521 1.386 ( 7.051 0.609 -2.383) 7.468 1.440 ( 5.731 -0.411 0.440) 5.763 1.614 ( 2.833 -0.625 1.663) 3.344 1.815 ( -0.970 4.000 -1.021) 4.241 1.887 ( -2.111 -1.643 -0.289) 2.691 1.959 ( 6.709 -0.758 -0.172) 6.754 2.375 ( 0.708 -1.891 1.712) 2.647 2.658 ( 2.099 2.235 -0.640) 3.132 2.692 ( 5.077 -2.201 -1.338) 5.693 2.806 ( 0.523 -0.345 1.135) 1.297 2.888 ( -2.658 0.420 1.118) 2.914 2.924 ( -2.520 0.055 -3.250) 4.113 2.965 ( -0.378 0.685 2.056) 2.200 3.092 ( -2.996 1.128 -1.167) 3.407 3.143 ( 0.742 -1.107 -0.081) 1.335 3.173 ( -3.125 -1.279 0.101) 3.378 3.259 ( 1.930 -2.519 0.186) 3.179 3.569 ( -5.826 -0.444 0.500) 5.864 3.674 ( -8.330 -0.289 0.952) 8.390 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.680 0.263 0.235) 4.693 1.250 ( 1.182 0.390 0.463) 1.328 1.472 ( 1.050 -1.449 -0.822) 1.969 1.482 ( 1.985 1.536 -0.754) 2.621 1.700 ( 5.897 0.257 1.088) 6.002 1.756 ( -5.186 -0.219 0.434) 5.209 1.870 ( -0.740 0.200 -0.483) 0.906 2.156 ( 14.553 0.198 -1.276) 14.610 2.415 ( 3.858 -0.569 2.162) 4.459 2.703 ( -1.568 -1.583 -0.303) 2.249 2.714 ( -2.145 2.488 0.320) 3.300 2.803 ( 0.800 0.504 -0.967) 1.353 2.813 ( -3.863 -2.227 -0.082) 4.459 2.895 ( 0.518 0.299 -2.884) 2.945 2.974 ( -0.538 1.318 2.913) 3.242 3.061 ( -1.762 0.427 -0.048) 1.814 3.104 ( -2.103 -0.019 0.812) 2.255 3.175 ( 2.896 0.061 -0.546) 2.948 3.268 ( 0.905 -0.633 -0.853) 1.396 3.460 ( -5.878 -0.115 0.189) 5.883 3.522 ( -8.306 0.056 1.056) 8.373 ======================= Grid point 454 (166/231) ======================= q-point: ( 0.62 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 -2.471 -1.904) 3.119 1.104 ( 0.000 -1.500 -3.512) 3.819 1.243 ( -0.000 0.821 3.108) 3.215 1.253 ( 0.000 2.392 -0.033) 2.392 1.574 ( -0.000 -2.248 2.522) 3.379 1.787 ( 0.000 1.265 -3.169) 3.412 1.893 ( 0.000 1.210 -0.654) 1.375 1.978 ( -0.000 -0.184 1.234) 1.248 2.405 ( -0.000 -4.465 1.473) 4.702 2.567 ( 0.000 -1.717 -4.176) 4.516 2.586 ( 0.000 -1.450 -0.200) 1.464 2.732 ( -0.000 -0.680 4.561) 4.611 2.937 ( -0.000 1.930 0.306) 1.954 2.968 ( -0.000 1.611 0.396) 1.659 3.055 ( 0.000 1.617 -2.996) 3.404 3.135 ( 0.000 0.116 -2.319) 2.322 3.136 ( 0.000 0.516 -0.973) 1.102 3.191 ( -0.000 0.388 2.102) 2.138 3.263 ( -0.000 -3.401 1.210) 3.610 3.683 ( -0.000 -0.525 0.797) 0.954 3.838 ( -0.000 -0.479 0.901) 1.020 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.050 -0.977 -3.400) 4.671 1.176 ( 7.589 -0.010 -0.587) 7.612 1.264 ( 2.083 1.563 -0.382) 2.632 1.339 ( 5.104 0.873 2.945) 5.957 1.572 ( 1.332 -1.029 1.932) 2.562 1.814 ( 1.449 3.046 -2.151) 4.000 1.905 ( 0.814 -0.024 -0.560) 0.988 1.945 ( -3.224 -1.047 1.061) 3.552 2.365 ( -0.803 -1.057 1.706) 2.161 2.591 ( 4.074 0.508 -3.417) 5.342 2.610 ( 3.250 0.501 -0.345) 3.306 2.760 ( 2.272 -1.042 3.944) 4.669 2.933 ( -1.617 -0.801 0.074) 1.806 2.966 ( -1.509 0.415 -0.519) 1.649 3.025 ( -3.519 1.956 -0.488) 4.056 3.120 ( -0.096 -0.546 -1.077) 1.211 3.159 ( -0.421 2.927 -2.936) 4.167 3.205 ( 0.229 -0.410 0.772) 0.903 3.213 ( -1.455 -2.815 1.749) 3.620 3.650 ( -3.410 -0.167 0.707) 3.487 3.794 ( -4.880 0.013 1.136) 5.011 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 5.936 1.475 -1.339) 6.262 1.254 ( 0.002 1.086 3.469) 3.635 1.388 ( 9.023 0.765 -3.055) 9.556 1.418 ( 3.894 -1.542 -0.245) 4.195 1.612 ( 3.683 -0.198 1.383) 3.939 1.834 ( -3.619 -3.769 0.309) 5.234 1.879 ( -1.039 2.579 -0.994) 2.952 1.967 ( 6.981 1.428 0.251) 7.130 2.376 ( 1.192 1.544 1.950) 2.758 2.664 ( 2.350 -0.745 -0.289) 2.482 2.711 ( 5.530 3.518 -1.103) 6.646 2.777 ( 0.759 -1.158 0.252) 1.407 2.853 ( -3.994 -3.346 -0.953) 5.297 2.925 ( -2.237 -0.295 -1.451) 2.683 3.011 ( -0.785 1.871 3.243) 3.826 3.114 ( -1.807 1.295 -1.027) 2.449 3.149 ( -2.740 -0.439 2.074) 3.465 3.161 ( -1.144 2.799 -1.039) 3.197 3.235 ( 2.736 0.465 -1.611) 3.209 3.567 ( -5.862 0.076 0.477) 5.882 3.679 ( -8.323 0.291 1.201) 8.414 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.000 0.257 -4.028) 4.036 1.077 ( 0.000 0.534 -3.900) 3.937 1.276 ( -0.000 0.887 3.946) 4.044 1.321 ( -0.000 1.920 3.432) 3.933 1.559 ( -0.000 0.311 1.073) 1.117 1.841 ( -0.000 4.092 0.234) 4.098 1.890 ( 0.000 -1.229 -0.876) 1.509 1.961 ( -0.000 -1.500 0.398) 1.552 2.381 ( -0.000 2.224 0.090) 2.226 2.560 ( 0.000 2.794 -4.127) 4.984 2.591 ( -0.000 2.062 0.196) 2.072 2.743 ( -0.000 -0.262 4.724) 4.732 2.932 ( 0.000 -2.634 -0.095) 2.636 2.976 ( -0.000 -1.146 1.286) 1.723 3.091 ( 0.000 2.413 -2.304) 3.336 3.118 ( 0.000 -1.495 -2.393) 2.822 3.124 ( 0.000 0.116 -0.480) 0.494 3.210 ( -0.000 -1.715 2.023) 2.652 3.233 ( 0.000 2.731 -0.340) 2.752 3.682 ( -0.000 0.184 0.860) 0.879 3.842 ( -0.000 0.437 1.136) 1.217 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 4.151 2.494 -1.724) 5.141 1.175 ( 9.301 0.933 -1.858) 9.531 1.306 ( 0.598 0.868 2.594) 2.800 1.341 ( 2.357 -1.681 0.710) 2.981 1.579 ( 1.085 1.218 0.180) 1.641 1.840 ( -2.083 -3.368 0.734) 4.027 1.892 ( 1.717 -2.153 0.314) 2.771 1.954 ( -1.151 5.603 0.281) 5.727 2.407 ( -0.771 4.146 -0.498) 4.247 2.631 ( 2.801 3.855 -1.512) 5.000 2.652 ( 4.122 4.024 -0.993) 5.845 2.754 ( 0.700 -1.152 2.210) 2.589 2.874 ( -2.288 -4.159 0.608) 4.786 2.941 ( -1.762 -2.622 -0.794) 3.257 3.049 ( -1.911 0.102 1.957) 2.737 3.135 ( 0.093 1.579 -1.981) 2.535 3.166 ( 3.115 -0.905 -1.601) 3.617 3.197 ( -1.069 1.586 3.080) 3.625 3.244 ( -2.015 4.590 -1.613) 5.266 3.656 ( -3.534 0.494 0.851) 3.668 3.804 ( -4.969 0.406 0.966) 5.078 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 4.062 0.675) 4.118 1.095 ( 0.000 2.046 -1.779) 2.711 1.297 ( -0.000 -0.286 1.988) 2.009 1.304 ( 0.000 -4.306 -0.361) 4.321 1.589 ( 0.000 2.126 -0.663) 2.227 1.823 ( -0.000 -6.185 1.070) 6.277 1.840 ( 0.000 -3.195 -0.743) 3.280 2.041 ( -0.000 8.170 2.169) 8.453 2.457 ( 0.000 2.921 -2.614) 3.920 2.646 ( 0.000 6.482 -2.690) 7.018 2.662 ( -0.000 3.614 0.522) 3.651 2.739 ( -0.000 -1.696 2.045) 2.656 2.855 ( -0.000 -1.351 0.060) 1.352 2.929 ( -0.000 -4.096 1.238) 4.279 3.080 ( 0.000 -0.729 -1.154) 1.365 3.084 ( -0.000 -2.697 2.308) 3.550 3.171 ( 0.000 4.404 -4.149) 6.050 3.242 ( -0.000 4.095 4.044) 5.755 3.307 ( 0.000 5.008 -1.299) 5.173 3.698 ( -0.000 1.043 1.189) 1.582 3.854 ( -0.000 0.106 0.502) 0.513 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( -0.000 0.000 13.671) 13.671 0.261 ( -0.000 0.000 13.671) 13.671 0.288 ( -0.000 0.000 23.554) 23.554 0.887 ( 0.000 -0.000 -7.044) 7.044 0.887 ( 0.000 -0.000 -7.044) 7.044 1.280 ( 0.000 -0.000 -11.892) 11.892 1.694 ( -0.000 0.000 0.916) 0.916 1.694 ( -0.000 0.000 0.916) 0.916 2.197 ( -0.000 0.000 14.715) 14.715 2.197 ( -0.000 0.000 14.715) 14.715 2.451 ( 0.000 -0.000 -0.906) 0.906 2.900 ( 0.000 -0.000 -3.482) 3.482 2.900 ( 0.000 -0.000 -3.482) 3.482 3.149 ( 0.000 -0.000 -7.172) 7.172 3.149 ( 0.000 -0.000 -7.172) 7.172 3.284 ( -0.000 0.000 1.227) 1.227 3.284 ( -0.000 0.000 1.227) 1.227 3.311 ( -0.000 0.000 0.023) 0.023 3.832 ( 0.000 -0.000 -1.810) 1.810 4.137 ( 0.000 -0.000 -2.927) 2.927 4.327 ( 0.000 -0.000 -1.150) 1.150 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 9.971 5.757 13.965) 18.099 0.490 ( 14.185 8.189 6.297) 17.548 0.700 ( 20.694 11.947 6.579) 24.784 0.931 ( 4.312 2.490 -6.026) 7.817 0.958 ( 6.595 3.808 -7.598) 10.757 1.267 ( 2.628 1.517 -9.818) 10.276 1.696 ( -0.088 -0.051 0.566) 0.575 1.739 ( 2.499 1.443 -0.903) 3.024 2.279 ( 4.207 2.429 14.646) 15.430 2.395 ( -1.647 -0.951 0.960) 2.130 2.856 ( -2.471 -1.427 -3.949) 4.872 2.891 ( 7.530 4.348 -8.284) 12.010 2.953 ( 17.098 9.871 -12.168) 23.191 3.124 ( -1.354 -0.782 -6.723) 6.902 3.185 ( 4.253 2.455 -6.505) 8.151 3.264 ( -1.857 -1.072 0.919) 2.333 3.292 ( 0.027 0.015 0.480) 0.481 3.321 ( 1.987 1.147 -1.579) 2.785 3.753 ( -5.783 -3.339 3.192) 7.401 4.065 ( -5.352 -3.090 -2.204) 6.561 4.258 ( -5.242 -3.026 -2.403) 6.512 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 9.915 5.725 6.920) 13.378 0.818 ( 12.267 7.082 1.881) 14.289 1.049 ( 6.012 3.471 -3.248) 7.664 1.090 ( 8.792 5.076 -7.442) 12.587 1.160 ( 13.309 7.684 -0.398) 15.373 1.398 ( 9.352 5.399 -0.703) 10.821 1.693 ( -0.041 -0.024 0.166) 0.172 1.820 ( 5.048 2.914 -1.275) 5.967 2.338 ( -2.726 -1.574 -0.809) 3.251 2.431 ( 6.295 3.634 11.838) 13.892 2.788 ( -2.349 -1.356 -2.966) 4.019 2.880 ( -2.047 -1.182 -1.135) 2.622 3.060 ( -3.195 -1.845 -5.531) 6.648 3.110 ( -1.828 -1.055 -0.716) 2.229 3.205 ( -3.028 -1.748 0.152) 3.499 3.245 ( -0.427 -0.246 -3.745) 3.777 3.347 ( 2.519 1.454 -1.394) 3.226 3.453 ( 8.851 5.110 -8.994) 13.614 3.611 ( -6.273 -3.621 7.066) 10.119 3.898 ( -8.002 -4.620 -1.554) 9.369 4.095 ( -7.797 -4.502 -2.804) 9.430 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 7.253 4.187 0.772) 8.410 1.046 ( 7.116 4.109 -1.224) 8.308 1.170 ( 3.850 2.223 0.132) 4.447 1.235 ( 4.483 2.588 -2.793) 5.882 1.413 ( 9.109 5.259 -1.981) 10.703 1.593 ( 4.766 2.752 1.959) 5.841 1.707 ( 1.468 0.847 0.010) 1.695 2.002 ( 10.222 5.902 -0.213) 11.805 2.291 ( -0.445 -0.257 -1.633) 1.712 2.593 ( 5.548 3.203 6.685) 9.258 2.754 ( -0.066 -0.038 -1.010) 1.013 2.809 ( -3.838 -2.216 -0.847) 4.512 2.955 ( -4.847 -2.799 -2.372) 6.079 3.025 ( -4.318 -2.493 0.218) 4.990 3.137 ( -2.409 -1.391 -1.282) 3.063 3.209 ( -1.948 -1.125 -2.833) 3.617 3.287 ( -7.575 -4.373 -0.482) 8.760 3.486 ( -1.619 -0.935 0.987) 2.115 3.577 ( -3.368 -1.944 -2.474) 4.609 3.763 ( -0.686 -0.396 0.276) 0.838 3.913 ( -6.679 -3.856 -1.542) 7.865 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 5.835 3.369 -3.416) 7.554 1.144 ( 1.044 0.603 -0.634) 1.362 1.221 ( 1.423 0.822 -0.172) 1.652 1.252 ( -2.758 -1.592 1.670) 3.596 1.610 ( 6.596 3.808 -0.283) 7.621 1.642 ( 1.526 0.881 0.474) 1.825 1.765 ( 3.192 1.843 0.265) 3.695 2.136 ( -1.074 -0.620 -2.049) 2.395 2.373 ( 7.180 4.145 0.926) 8.342 2.692 ( 1.219 0.704 0.378) 1.458 2.709 ( -3.931 -2.269 -0.418) 4.558 2.744 ( -1.583 -0.914 0.817) 2.002 2.880 ( 0.261 0.151 1.029) 1.072 2.929 ( -4.065 -2.347 -0.191) 4.698 3.099 ( -0.593 -0.343 -1.109) 1.304 3.110 ( -4.685 -2.705 -1.434) 5.597 3.148 ( -3.124 -1.804 -0.193) 3.612 3.403 ( -7.122 -4.112 -0.107) 8.225 3.442 ( -4.128 -2.383 -1.291) 4.938 3.760 ( -2.008 -1.159 -2.057) 3.099 3.837 ( 0.601 0.347 1.205) 1.390 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.814 -1.625 2.605) 4.165 1.117 ( -2.422 -1.398 -2.183) 3.548 1.187 ( 1.717 0.991 1.599) 2.547 1.258 ( 1.686 0.973 -3.019) 3.592 1.616 ( -1.072 -0.619 1.853) 2.228 1.768 ( 3.607 2.083 -2.934) 5.095 1.838 ( 2.677 1.546 0.676) 3.165 2.032 ( -4.954 -2.860 -1.543) 5.925 2.464 ( -0.482 -0.278 2.497) 2.558 2.604 ( -5.021 -2.899 1.296) 5.941 2.646 ( -2.502 -1.444 -0.750) 2.984 2.770 ( 1.424 0.822 -0.837) 1.845 2.880 ( 1.536 0.887 0.116) 1.777 2.928 ( 2.624 1.515 -0.914) 3.165 3.063 ( -2.433 -1.405 -2.251) 3.600 3.090 ( 0.275 0.159 1.438) 1.473 3.103 ( 0.659 0.380 1.133) 1.365 3.259 ( -4.128 -2.384 -0.745) 4.825 3.347 ( -3.839 -2.217 -0.131) 4.435 3.715 ( -1.331 -0.768 -0.945) 1.804 3.854 ( 0.258 0.149 -0.341) 0.453 ======================= Grid point 559 (178/231) ======================= q-point: ( 0.69 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -3.945 -2.278 4.321) 6.279 1.060 ( -1.637 -0.945 3.697) 4.153 1.275 ( 4.023 2.323 -3.483) 5.806 1.284 ( 1.099 0.635 -3.641) 3.856 1.595 ( -1.237 -0.714 -0.618) 1.557 1.769 ( -0.143 -0.082 -0.519) 0.544 1.883 ( 0.973 0.562 0.952) 1.473 1.987 ( -0.024 -0.014 -0.261) 0.262 2.416 ( -2.770 -1.599 -0.381) 3.221 2.523 ( -1.878 -1.084 3.228) 3.889 2.587 ( -1.472 -0.850 -0.439) 1.756 2.782 ( 0.117 0.068 -3.852) 3.854 2.936 ( 1.381 0.797 0.524) 1.678 2.978 ( 1.569 0.906 -1.440) 2.315 3.031 ( 0.650 0.375 1.122) 1.350 3.109 ( 0.425 0.246 1.999) 2.058 3.116 ( -0.095 -0.055 2.567) 2.569 3.214 ( -0.010 -0.006 -1.778) 1.778 3.272 ( -2.577 -1.488 -0.343) 2.995 3.693 ( -0.488 -0.282 -0.866) 1.033 3.850 ( -0.217 -0.125 -1.183) 1.209 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.895 0.517 3.431) 3.583 1.057 ( 0.747 0.431 3.450) 3.556 1.297 ( 0.559 0.323 -3.315) 3.377 1.337 ( 1.216 0.702 -2.335) 2.725 1.565 ( -0.291 -0.168 -1.008) 1.062 1.839 ( 4.794 2.768 0.601) 5.568 1.884 ( -1.043 -0.602 0.990) 1.559 1.964 ( -1.621 -0.936 -0.646) 1.980 2.384 ( 1.147 0.662 -0.835) 1.566 2.538 ( 2.573 1.486 3.778) 4.806 2.593 ( 1.944 1.122 -0.273) 2.261 2.768 ( -0.554 -0.320 -4.308) 4.355 2.932 ( -2.258 -1.304 0.235) 2.618 2.985 ( -0.834 -0.482 -1.887) 2.119 3.076 ( 2.628 1.517 2.968) 4.244 3.104 ( -1.296 -0.748 2.873) 3.239 3.121 ( 0.145 0.084 0.974) 0.989 3.219 ( -0.624 -0.360 -1.067) 1.288 3.236 ( 1.336 0.772 -1.261) 1.993 3.688 ( 0.182 0.105 -1.034) 1.055 3.849 ( 0.287 0.166 -1.225) 1.269 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -0.000 14.271 14.174) 20.114 0.555 ( -0.000 17.074 6.236) 18.177 0.655 ( -0.000 21.229 6.330) 22.153 0.897 ( 0.000 3.898 -6.736) 7.782 0.967 ( 0.000 8.861 -6.972) 11.274 1.233 ( 0.000 2.008 -10.393) 10.585 1.693 ( -0.000 -0.165 0.600) 0.623 1.739 ( 0.000 2.840 -0.739) 2.935 2.292 ( -0.000 4.067 14.459) 15.020 2.401 ( -0.000 -1.722 0.726) 1.869 2.869 ( 0.000 23.437 -12.281) 26.460 2.871 ( 0.000 -1.892 -3.030) 3.572 2.904 ( 0.000 3.107 -3.760) 4.877 3.098 ( 0.000 -1.951 -7.455) 7.707 3.173 ( 0.000 3.851 -5.477) 6.695 3.269 ( -0.000 -2.052 0.810) 2.206 3.296 ( -0.000 0.760 0.484) 0.901 3.319 ( 0.000 1.260 -0.975) 1.593 3.787 ( -0.000 -2.441 1.212) 2.725 4.064 ( 0.000 -5.935 -1.544) 6.133 4.246 ( 0.000 -6.846 -3.823) 7.841 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 3.167 13.006 10.882) 17.251 0.793 ( 5.213 16.059 2.937) 17.138 0.956 ( 8.650 7.410 -5.450) 12.627 1.007 ( 7.397 8.556 -4.060) 12.017 1.085 ( 4.599 10.579 -3.217) 11.975 1.313 ( 5.794 7.155 -3.219) 9.753 1.697 ( 0.244 0.257 0.308) 0.470 1.788 ( 2.133 3.841 -1.022) 4.511 2.358 ( -1.925 -2.422 -0.910) 3.225 2.405 ( 3.817 4.715 12.666) 14.044 2.800 ( -2.973 -2.335 -3.361) 5.059 2.897 ( -0.918 -0.887 -0.808) 1.511 3.057 ( 0.475 -1.802 -5.695) 5.992 3.095 ( 2.128 0.673 -2.530) 3.374 3.206 ( -1.081 -1.538 -1.856) 2.642 3.274 ( 1.523 4.172 -2.171) 4.943 3.305 ( 1.490 0.340 0.014) 1.528 3.363 ( 4.933 4.585 -4.986) 8.380 3.710 ( -6.226 -1.967 3.188) 7.266 3.948 ( -4.645 -7.376 -1.489) 8.844 4.122 ( -3.766 -8.721 -4.149) 10.366 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.341 9.332 4.834) 11.028 1.014 ( 4.984 9.500 -0.489) 10.739 1.146 ( 5.532 6.958 -0.868) 8.931 1.166 ( 5.418 4.987 -5.324) 9.087 1.313 ( 8.248 7.234 -2.012) 11.153 1.517 ( 7.157 4.955 1.518) 8.836 1.714 ( 0.427 2.336 0.222) 2.385 1.912 ( 6.862 7.049 -0.599) 9.856 2.294 ( -1.765 -2.260 -1.535) 3.253 2.547 ( 4.615 3.603 8.559) 10.370 2.728 ( -1.072 -3.185 -2.185) 4.008 2.857 ( -2.190 -0.835 0.154) 2.349 3.000 ( -2.974 -2.259 -5.474) 6.627 3.063 ( -2.328 -3.154 1.548) 4.215 3.133 ( -2.378 -4.051 -0.823) 4.768 3.256 ( -3.115 1.031 -1.469) 3.595 3.347 ( -0.073 -0.666 -2.223) 2.322 3.520 ( 1.958 3.724 -5.360) 6.814 3.568 ( -3.778 -4.266 5.603) 7.991 3.782 ( -4.846 -5.854 0.031) 7.599 3.945 ( -4.862 -8.620 -3.361) 10.452 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 2.934 6.629 0.135) 7.250 1.153 ( 1.682 5.552 -1.282) 5.941 1.247 ( -0.171 4.355 1.050) 4.483 1.271 ( 1.746 3.020 -1.527) 3.808 1.515 ( 8.104 5.294 -1.289) 9.765 1.615 ( 2.529 -0.797 0.970) 2.823 1.762 ( 0.976 4.230 0.369) 4.357 2.116 ( 4.386 4.095 -0.370) 6.011 2.281 ( 4.546 0.037 -0.612) 4.587 2.651 ( 3.151 0.765 2.886) 4.341 2.691 ( 0.564 -3.394 -0.422) 3.466 2.818 ( -3.044 1.418 0.060) 3.359 2.902 ( -3.332 -1.946 -1.627) 4.187 2.985 ( -3.893 -1.430 0.947) 4.254 3.066 ( -0.081 -3.863 -1.499) 4.144 3.199 ( -4.245 0.025 -1.394) 4.468 3.231 ( -8.476 -1.728 0.055) 8.651 3.452 ( -2.378 -3.006 0.964) 3.952 3.498 ( -6.554 -3.730 -2.705) 8.012 3.740 ( 2.191 -2.485 -0.234) 3.321 3.800 ( -0.839 -6.601 -0.451) 6.669 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 2.573 4.655 -3.205) 6.210 1.157 ( -3.300 -0.187 1.774) 3.751 1.270 ( -4.408 3.597 1.656) 5.925 1.289 ( -1.003 5.970 -1.110) 6.155 1.623 ( 0.379 -0.982 1.786) 2.073 1.694 ( 6.594 2.885 -1.795) 7.418 1.827 ( 1.496 3.809 0.366) 4.108 2.076 ( -4.769 -3.896 -1.713) 6.392 2.416 ( 5.317 -0.613 1.873) 5.670 2.652 ( -1.385 -1.756 -0.846) 2.391 2.703 ( -0.717 1.411 0.323) 1.615 2.750 ( -1.897 0.068 0.206) 1.909 2.892 ( 1.064 0.606 0.578) 1.354 2.918 ( -2.723 0.287 1.302) 3.032 3.026 ( -0.291 -3.249 -3.470) 4.763 3.105 ( -1.882 0.329 0.708) 2.037 3.156 ( -2.517 0.835 0.385) 2.679 3.315 ( -6.692 -4.068 -0.651) 7.858 3.381 ( -3.410 -3.083 -0.609) 4.637 3.700 ( -0.130 -4.030 -1.264) 4.226 3.801 ( 3.461 -4.121 0.284) 5.389 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.692 0.124 2.527) 5.330 1.179 ( -1.267 4.417 -2.093) 5.049 1.230 ( -2.406 3.650 2.694) 5.135 1.329 ( -1.371 6.070 -2.120) 6.574 1.613 ( -1.073 0.030 0.139) 1.083 1.775 ( 0.550 0.427 -1.402) 1.566 1.881 ( 0.835 2.301 0.431) 2.485 1.969 ( -0.925 -3.097 -0.332) 3.249 2.424 ( -0.867 -3.016 0.408) 3.164 2.597 ( -4.149 1.381 1.785) 4.723 2.637 ( -4.319 0.984 -0.197) 4.434 2.794 ( 0.393 1.778 -1.378) 2.284 2.905 ( 2.284 0.954 -0.553) 2.536 2.938 ( 2.363 -0.795 0.833) 2.629 2.999 ( 0.903 -2.278 -1.464) 2.854 3.103 ( 0.811 0.092 1.438) 1.654 3.140 ( -1.837 0.664 0.917) 2.158 3.214 ( -0.690 -1.351 -0.658) 1.653 3.292 ( -2.966 -2.932 -0.253) 4.178 3.667 ( 0.898 -3.564 -0.820) 3.766 3.807 ( 2.344 -4.408 -0.924) 5.077 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -2.600 2.695 3.357) 5.029 1.166 ( -5.521 8.224 2.700) 10.267 1.271 ( 2.378 1.221 -2.635) 3.754 1.353 ( -1.607 4.121 -1.880) 4.806 1.583 ( -1.795 0.415 -1.885) 2.636 1.802 ( 2.331 2.956 1.946) 4.238 1.902 ( -0.514 0.878 0.566) 1.164 1.950 ( 0.684 -3.321 -0.748) 3.473 2.376 ( -0.792 -1.049 -2.128) 2.501 2.571 ( -1.788 4.191 3.451) 5.716 2.608 ( -1.201 2.896 0.179) 3.141 2.782 ( -1.734 0.923 -3.896) 4.363 2.934 ( 0.128 -1.838 -0.157) 1.849 2.961 ( 1.531 -1.984 1.293) 2.820 3.025 ( 3.169 -0.610 -0.467) 3.261 3.112 ( -0.653 -0.384 1.588) 1.760 3.142 ( 2.254 1.104 3.093) 3.983 3.210 ( -0.338 -0.253 -0.949) 1.038 3.222 ( -1.274 -2.656 -1.413) 3.267 3.655 ( 1.590 -3.088 -0.852) 3.576 3.801 ( 2.451 -4.211 -1.339) 5.053 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.000 14.416 11.155) 18.228 0.900 ( -0.000 14.291 1.098) 14.333 0.967 ( 0.000 6.799 -10.687) 12.666 0.982 ( 0.000 6.231 -3.022) 6.925 1.168 ( 0.000 13.418 -2.336) 13.619 1.366 ( -0.000 13.183 0.592) 13.196 1.694 ( -0.000 0.179 0.146) 0.231 1.817 ( 0.000 5.741 -0.844) 5.803 2.347 ( 0.000 -2.924 -1.779) 3.423 2.449 ( -0.000 6.240 10.891) 12.552 2.817 ( 0.000 -2.089 -1.607) 2.636 2.884 ( 0.000 -2.182 -1.355) 2.568 3.020 ( 0.000 -3.032 -6.390) 7.073 3.066 ( -0.000 -0.127 1.474) 1.479 3.208 ( -0.000 -4.001 0.225) 4.007 3.256 ( 0.000 3.241 -3.104) 4.487 3.326 ( 0.000 1.176 -0.783) 1.413 3.342 ( 0.000 2.793 -1.080) 2.994 3.756 ( 0.000 -1.960 -0.302) 1.983 3.904 ( 0.000 -8.182 -1.638) 8.345 4.048 ( 0.000 -10.386 -3.697) 11.024 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -0.497 10.021 3.166) 10.521 1.016 ( 3.204 5.981 -2.591) 7.263 1.106 ( 7.683 6.851 -2.732) 10.651 1.118 ( 5.190 8.423 0.047) 9.894 1.312 ( 1.971 11.020 -2.129) 11.395 1.515 ( 1.383 9.357 1.651) 9.602 1.716 ( 1.744 1.690 0.107) 2.431 1.912 ( 2.668 9.699 -0.419) 10.068 2.297 ( -1.673 -2.743 -2.076) 3.825 2.548 ( 1.939 5.059 7.792) 9.490 2.744 ( -4.030 -1.985 -1.785) 4.834 2.862 ( 0.060 -2.304 0.463) 2.351 2.979 ( 0.067 -3.252 -5.531) 6.417 3.055 ( -0.430 -3.528 2.317) 4.243 3.141 ( -2.367 -3.869 -1.028) 4.650 3.289 ( 1.914 -1.393 -2.674) 3.571 3.313 ( -0.424 -0.911 -1.216) 1.578 3.430 ( 5.570 1.280 2.570) 6.267 3.658 ( -5.743 -5.787 -1.453) 8.281 3.805 ( -3.773 -3.778 -0.880) 5.411 3.910 ( -2.984 -9.833 -2.512) 10.578 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.020 7.432 0.717) 7.535 1.143 ( 4.186 3.569 0.026) 5.501 1.253 ( 4.145 5.277 -1.567) 6.891 1.294 ( 3.578 6.415 0.073) 7.346 1.456 ( 4.624 7.658 -0.830) 8.984 1.577 ( 0.235 0.992 -0.071) 1.022 1.784 ( 2.169 3.984 0.292) 4.546 2.096 ( 5.422 10.178 -0.005) 11.532 2.236 ( -1.461 -2.887 -1.144) 3.432 2.631 ( 1.985 2.264 3.954) 4.970 2.666 ( -2.096 -1.851 -0.878) 2.931 2.847 ( 0.102 -0.732 1.250) 1.452 2.921 ( -2.050 -3.164 -4.724) 6.044 3.013 ( -0.574 -1.933 0.759) 2.155 3.053 ( -2.961 -3.537 -0.754) 4.674 3.249 ( -2.808 -2.178 0.626) 3.608 3.300 ( -1.150 -3.756 -2.663) 4.745 3.467 ( -2.525 -5.528 1.808) 6.341 3.537 ( 0.435 -1.985 -1.264) 2.394 3.691 ( -4.295 -3.139 1.389) 5.498 3.758 ( -3.027 -7.580 -2.317) 8.484 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.242 5.251 1.311) 5.418 1.201 ( 0.045 0.881 -1.632) 1.855 1.352 ( 0.665 5.930 -0.245) 5.972 1.382 ( -0.820 6.446 0.286) 6.504 1.583 ( 2.089 -0.630 -0.087) 2.184 1.612 ( 5.715 3.247 -0.311) 6.580 1.854 ( 0.897 3.934 0.257) 4.044 2.141 ( -5.547 -0.197 -0.696) 5.594 2.298 ( 7.920 1.229 0.528) 8.032 2.623 ( -0.132 -2.659 -0.613) 2.732 2.687 ( 2.071 1.395 1.377) 2.851 2.834 ( -3.893 0.553 -1.466) 4.196 2.873 ( 1.765 -0.305 -0.289) 1.814 2.963 ( -3.510 -1.603 1.132) 4.021 3.008 ( 0.428 -0.799 -1.072) 1.404 3.166 ( -4.469 -3.488 -0.168) 5.672 3.182 ( -2.900 -3.369 -0.289) 4.454 3.404 ( -2.501 -1.519 1.284) 3.195 3.424 ( -8.302 -2.891 -1.907) 8.996 3.651 ( -1.003 -6.097 -1.271) 6.308 3.667 ( 4.596 -5.876 0.966) 7.522 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -1.878 0.786 2.251) 3.035 1.193 ( -1.356 4.353 -2.341) 5.125 1.374 ( -3.462 5.067 0.617) 6.168 1.426 ( -1.726 6.347 0.627) 6.608 1.621 ( 1.185 0.810 -0.031) 1.436 1.727 ( 4.878 1.213 -1.088) 5.143 1.893 ( 0.513 1.087 0.064) 1.203 2.022 ( -7.192 1.215 -0.269) 7.299 2.395 ( 2.242 -1.000 0.915) 2.620 2.619 ( 2.375 -1.287 -0.808) 2.820 2.749 ( 3.776 0.708 0.063) 3.843 2.756 ( -5.992 2.070 -0.169) 6.342 2.899 ( 0.126 -0.916 1.909) 2.121 2.913 ( -0.522 -0.863 1.799) 2.063 2.991 ( -1.608 1.162 -3.546) 4.064 3.093 ( -0.661 -2.083 -0.006) 2.185 3.149 ( 1.760 -1.870 -0.072) 2.569 3.246 ( -7.132 -2.282 -0.379) 7.497 3.335 ( -4.200 -1.273 0.639) 4.435 3.594 ( 1.440 -5.888 -0.649) 6.096 3.683 ( 4.454 -7.073 -0.558) 8.377 ======================= Grid point 586 (192/231) ======================= q-point: ( 0.77 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -4.079 3.757 1.662) 5.789 1.225 ( 1.197 1.978 -2.527) 3.425 1.373 ( -3.847 7.101 2.372) 8.417 1.440 ( -2.728 3.955 0.479) 4.829 1.624 ( -1.823 2.073 -1.833) 3.314 1.809 ( 3.086 1.906 0.805) 3.715 1.886 ( -0.105 -3.157 0.377) 3.181 1.959 ( -3.709 5.190 0.066) 6.379 2.386 ( -1.475 0.084 -2.150) 2.609 2.654 ( 0.288 3.252 0.760) 3.352 2.685 ( -4.599 3.287 0.912) 5.726 2.811 ( 0.589 -0.164 -0.608) 0.862 2.888 ( 1.163 -3.241 1.377) 3.708 2.911 ( 1.613 -1.344 1.059) 2.352 2.979 ( 0.525 0.372 -2.736) 2.811 3.086 ( 2.138 -1.938 0.941) 3.035 3.142 ( -2.204 0.480 0.516) 2.314 3.174 ( 1.323 -3.485 -0.356) 3.745 3.258 ( -3.074 0.033 0.331) 3.092 3.572 ( 2.558 -5.372 -0.547) 5.975 3.681 ( 3.983 -7.307 -1.242) 8.414 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 2.197 -8.774) 9.045 1.060 ( 0.000 4.759 -2.225) 5.254 1.119 ( -0.000 9.596 8.074) 12.540 1.159 ( -0.000 7.783 0.922) 7.838 1.412 ( 0.000 11.090 -2.103) 11.287 1.604 ( -0.000 6.681 1.166) 6.782 1.710 ( 0.000 1.800 -0.235) 1.816 2.006 ( 0.000 12.826 -0.201) 12.827 2.284 ( 0.000 -1.870 -1.820) 2.609 2.601 ( -0.000 5.302 5.120) 7.370 2.789 ( 0.000 -0.467 -0.290) 0.549 2.809 ( 0.000 -4.455 -1.050) 4.577 2.938 ( 0.000 -3.058 -3.283) 4.487 3.026 ( -0.000 -3.104 2.703) 4.116 3.121 ( 0.000 -4.037 -0.094) 4.038 3.221 ( 0.000 -5.897 -4.868) 7.647 3.271 ( 0.000 -3.586 -0.305) 3.599 3.419 ( -0.000 0.827 4.161) 4.242 3.611 ( 0.000 -10.109 -2.763) 10.479 3.815 ( 0.000 -2.569 -3.394) 4.257 3.859 ( -0.000 -4.873 1.451) 5.085 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.977 2.799 -4.413) 6.567 1.148 ( 3.351 3.522 0.351) 4.874 1.221 ( 2.570 5.238 3.519) 6.814 1.261 ( 4.420 3.588 -0.286) 5.701 1.513 ( 0.033 9.491 -1.100) 9.555 1.625 ( -2.341 2.183 -0.182) 3.206 1.767 ( 3.150 3.131 -0.131) 4.443 2.124 ( 1.185 5.195 -1.164) 5.454 2.272 ( -1.839 4.742 0.063) 5.086 2.646 ( -0.658 2.241 2.005) 3.078 2.712 ( -3.320 -0.635 -0.789) 3.471 2.812 ( 1.697 -2.945 0.843) 3.501 2.901 ( -0.428 -2.327 -2.221) 3.245 3.000 ( -0.153 -2.163 0.121) 2.171 3.058 ( -2.132 -3.597 -0.450) 4.206 3.198 ( 4.970 -7.991 -1.086) 9.473 3.241 ( 0.147 -3.136 -2.210) 3.839 3.419 ( 0.577 -3.509 4.123) 5.445 3.491 ( -1.602 -8.129 -1.562) 8.431 3.745 ( -2.606 -4.774 -0.614) 5.473 3.794 ( -5.565 0.433 -0.078) 5.583 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 5.319 2.512 -1.775) 6.144 1.188 ( -0.595 1.076 0.871) 1.507 1.348 ( 5.007 3.486 0.368) 6.112 1.388 ( 6.241 2.864 -0.648) 6.897 1.587 ( -2.378 2.384 -0.652) 3.430 1.604 ( 0.466 5.331 0.880) 5.424 1.856 ( 2.773 2.733 0.003) 3.893 2.139 ( 2.541 -5.166 -0.245) 5.763 2.307 ( -3.165 8.443 -0.969) 9.069 2.621 ( -1.978 -1.550 -0.253) 2.525 2.693 ( -0.545 2.032 0.541) 2.172 2.820 ( 2.560 -2.235 0.729) 3.476 2.878 ( -0.826 0.666 -1.189) 1.593 2.977 ( -0.489 -2.707 -1.535) 3.151 3.001 ( -0.480 -0.861 0.415) 1.070 3.158 ( -0.819 -6.100 0.733) 6.198 3.196 ( -2.167 -3.679 -2.221) 4.812 3.392 ( 1.116 -5.443 2.946) 6.288 3.422 ( 1.815 -5.990 -1.102) 6.355 3.636 ( -4.654 -3.476 1.055) 5.904 3.678 ( -7.309 -0.035 -0.905) 7.365 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.072 0.723 0.112) 0.735 1.242 ( 1.710 2.394 -0.531) 2.989 1.432 ( 1.153 1.611 0.119) 1.984 1.488 ( 0.961 2.976 -0.129) 3.130 1.599 ( 2.114 3.265 -0.287) 3.900 1.675 ( 2.065 2.930 0.377) 3.604 1.892 ( -0.158 -0.274 0.022) 0.317 2.147 ( 0.503 0.707 0.124) 0.876 2.338 ( 1.420 3.252 -0.402) 3.571 2.574 ( -0.779 -1.530 -0.276) 1.739 2.709 ( 0.533 0.628 0.136) 0.835 2.841 ( -0.335 -0.763 -0.141) 0.845 2.880 ( 0.546 1.342 0.067) 1.451 2.938 ( -1.152 -0.923 0.188) 1.489 3.012 ( 0.642 0.438 -0.417) 0.882 3.091 ( -1.579 -4.708 0.138) 4.968 3.099 ( -2.146 -1.870 -0.543) 2.897 3.341 ( -2.463 -5.690 0.340) 6.210 3.377 ( -2.082 -2.144 0.077) 2.990 3.551 ( -1.482 -4.968 -0.038) 5.184 3.554 ( -2.669 -2.789 -0.038) 3.860 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.052 2.435 0.791) 2.561 1.256 ( -2.054 2.215 -0.907) 3.155 1.450 ( -0.185 2.341 0.071) 2.350 1.500 ( -1.149 0.290 1.293) 1.754 1.673 ( 0.514 4.627 -0.888) 4.739 1.734 ( 3.166 -0.735 -0.455) 3.282 1.873 ( -0.151 -1.326 0.264) 1.361 2.152 ( -5.759 9.865 0.609) 11.440 2.408 ( 1.385 2.416 -0.668) 2.864 2.596 ( 5.223 -0.542 -0.463) 5.272 2.728 ( 2.504 -1.981 0.087) 3.194 2.808 ( -3.082 1.889 0.225) 3.622 2.877 ( -1.071 -2.557 0.762) 2.875 2.914 ( -2.254 0.596 2.304) 3.278 2.986 ( -0.895 -2.499 -2.203) 3.450 3.047 ( 0.221 -0.199 -0.814) 0.866 3.101 ( 2.429 -2.141 0.110) 3.240 3.221 ( -5.474 -0.305 -0.071) 5.483 3.314 ( -3.044 -1.669 0.893) 3.584 3.476 ( 0.730 -5.073 -0.113) 5.126 3.532 ( 3.288 -6.919 -0.913) 7.714 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 2.757 -2.087) 3.458 1.128 ( -0.000 2.175 0.768) 2.307 1.238 ( 0.000 0.729 -1.683) 1.834 1.253 ( -0.000 1.621 1.945) 2.532 1.605 ( 0.000 7.941 0.080) 7.942 1.663 ( 0.000 0.969 -1.565) 1.841 1.770 ( 0.000 3.881 -0.247) 3.889 2.123 ( 0.000 -3.201 -0.765) 3.291 2.380 ( -0.000 10.875 0.315) 10.880 2.684 ( -0.000 0.956 0.829) 1.266 2.711 ( 0.000 -4.365 -0.795) 4.437 2.769 ( 0.000 -1.410 -1.232) 1.872 2.889 ( -0.000 -0.618 0.040) 0.619 2.968 ( 0.000 -5.536 -3.582) 6.593 3.042 ( -0.000 -5.375 3.861) 6.617 3.078 ( -0.000 0.152 0.801) 0.816 3.196 ( 0.000 -3.399 -4.062) 5.297 3.376 ( -0.000 -6.928 3.446) 7.738 3.429 ( 0.000 -5.663 -0.744) 5.712 3.734 ( -0.000 -2.612 0.751) 2.718 3.849 ( 0.000 0.422 -0.296) 0.515 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.786 2.218 0.711) 4.445 1.176 ( 2.095 -0.548 -1.382) 2.569 1.279 ( 4.783 1.127 0.093) 4.914 1.290 ( 4.788 -0.227 -1.015) 4.900 1.633 ( -0.914 -0.574 0.596) 1.233 1.685 ( -1.376 6.974 -0.863) 7.161 1.832 ( 2.446 3.187 -0.367) 4.034 2.065 ( -0.616 -6.190 0.220) 6.224 2.437 ( -3.237 5.030 -1.518) 6.171 2.649 ( -1.491 -1.400 -0.289) 2.066 2.708 ( 1.945 -0.553 -0.526) 2.090 2.751 ( 0.300 -1.644 0.010) 1.671 2.896 ( 0.213 1.675 -0.081) 1.690 2.935 ( 3.081 -4.677 -1.152) 5.718 2.990 ( -2.906 -1.401 1.995) 3.793 3.110 ( 1.044 0.152 -0.068) 1.057 3.170 ( 1.207 -2.609 -2.353) 3.715 3.303 ( -0.079 -7.313 1.574) 7.481 3.372 ( -0.670 -4.329 0.737) 4.442 3.686 ( -3.281 -1.830 1.159) 3.931 3.803 ( -5.306 0.219 -0.143) 5.313 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 3.058 -1.886 -1.019) 3.734 1.184 ( 2.850 1.554 -0.138) 3.249 1.378 ( 5.493 0.039 -0.662) 5.532 1.428 ( 7.212 1.584 -0.310) 7.391 1.620 ( -0.174 0.910 0.506) 1.055 1.721 ( -1.393 5.149 0.763) 5.388 1.893 ( 0.642 0.988 -0.045) 1.179 2.021 ( 4.798 -5.408 -0.117) 7.230 2.401 ( -2.232 0.826 -1.308) 2.716 2.616 ( -2.422 1.574 0.355) 2.910 2.748 ( -1.524 2.743 0.440) 3.169 2.758 ( 4.802 -2.921 -0.497) 5.643 2.906 ( -0.411 0.001 -0.658) 0.776 2.926 ( -1.255 -1.063 -2.642) 3.112 2.972 ( 2.746 -1.296 3.219) 4.425 3.094 ( -1.917 -1.326 -0.684) 2.429 3.148 ( -2.547 0.127 0.106) 2.552 3.244 ( 1.441 -6.753 0.374) 6.916 3.337 ( 1.500 -4.297 -0.057) 4.552 3.590 ( -5.668 -1.593 0.768) 5.938 3.681 ( -8.410 0.013 0.427) 8.421 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 1.376 3.098) 3.390 1.137 ( 0.000 -1.643 -1.353) 2.128 1.232 ( 0.000 -1.353 -4.625) 4.819 1.233 ( -0.000 0.422 0.785) 0.891 1.624 ( -0.000 -2.074 0.746) 2.204 1.753 ( 0.000 3.937 -0.826) 4.022 1.845 ( 0.000 3.275 -0.526) 3.317 2.018 ( -0.000 -4.917 0.891) 4.997 2.489 ( 0.000 -1.325 -1.606) 2.082 2.628 ( 0.000 -4.410 -2.669) 5.155 2.642 ( -0.000 -3.234 -0.048) 3.235 2.754 ( -0.000 -0.523 1.999) 2.066 2.877 ( -0.000 1.550 0.712) 1.706 2.919 ( -0.000 2.745 0.582) 2.806 3.043 ( -0.000 0.423 0.955) 1.045 3.109 ( 0.000 1.803 0.011) 1.803 3.121 ( 0.000 -1.303 -3.617) 3.844 3.247 ( -0.000 -5.072 1.370) 5.254 3.340 ( -0.000 -4.115 0.904) 4.213 3.703 ( -0.000 -1.268 1.162) 1.720 3.850 ( -0.000 -0.336 0.338) 0.476 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.407 -2.955 -1.454) 4.079 1.168 ( 2.944 1.341 1.191) 3.448 1.250 ( 5.347 -1.172 -4.251) 6.931 1.317 ( 6.556 1.684 2.343) 7.163 1.610 ( 0.527 -1.644 1.262) 2.139 1.773 ( 0.157 1.527 -0.757) 1.712 1.884 ( 1.375 1.927 -0.481) 2.416 1.966 ( -2.066 -2.286 0.608) 3.141 2.426 ( -2.445 -3.252 -0.089) 4.070 2.608 ( 2.503 -2.104 -2.007) 3.836 2.638 ( 3.332 -3.387 -0.419) 4.770 2.785 ( 2.241 0.239 2.070) 3.060 2.900 ( -0.604 2.641 1.327) 3.017 2.943 ( -0.696 1.674 -0.821) 1.990 2.994 ( -3.585 0.442 0.004) 3.612 3.112 ( -0.680 0.837 -2.037) 2.305 3.144 ( 1.157 -0.953 -0.666) 1.641 3.210 ( -0.276 -1.428 0.833) 1.676 3.289 ( -0.982 -4.069 0.814) 4.265 3.663 ( -3.467 -0.946 0.904) 3.705 3.802 ( -5.009 -0.398 0.842) 5.095 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 -3.858 -3.737) 5.371 1.082 ( 0.000 -1.774 -4.101) 4.468 1.259 ( -0.000 3.987 2.123) 4.517 1.263 ( -0.000 1.174 3.833) 4.008 1.587 ( -0.000 -2.051 2.100) 2.936 1.773 ( 0.000 0.907 -1.739) 1.961 1.888 ( 0.000 1.169 -0.895) 1.473 1.984 ( -0.000 -0.114 0.839) 0.847 2.412 ( -0.000 -3.992 1.050) 4.128 2.544 ( 0.000 -1.914 -4.024) 4.456 2.586 ( -0.000 -1.543 0.075) 1.545 2.758 ( -0.000 -0.298 4.622) 4.632 2.938 ( 0.000 1.768 -0.022) 1.768 2.971 ( -0.000 1.691 0.845) 1.891 3.040 ( 0.000 1.229 -2.259) 2.571 3.121 ( 0.000 0.573 -2.469) 2.535 3.128 ( 0.000 0.195 -1.838) 1.848 3.203 ( -0.000 0.029 2.165) 2.165 3.268 ( -0.000 -3.213 0.818) 3.315 3.688 ( -0.000 -0.567 0.921) 1.081 3.844 ( -0.000 -0.371 1.180) 1.237 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -0.000 0.000 11.614) 11.614 0.332 ( -0.000 0.000 11.614) 11.614 0.422 ( -0.000 0.000 23.812) 23.812 0.845 ( 0.000 -0.000 -7.626) 7.626 0.845 ( 0.000 -0.000 -7.626) 7.626 1.206 ( 0.000 -0.000 -14.564) 14.564 1.698 ( -0.000 0.000 0.648) 0.648 1.698 ( -0.000 0.000 0.648) 0.648 2.284 ( -0.000 0.000 15.942) 15.942 2.284 ( -0.000 0.000 15.942) 15.942 2.443 ( 0.000 -0.000 -1.696) 1.696 2.876 ( 0.000 -0.000 -4.836) 4.836 2.876 ( 0.000 -0.000 -4.836) 4.836 3.109 ( 0.000 -0.000 -6.798) 6.798 3.109 ( 0.000 -0.000 -6.798) 6.798 3.290 ( -0.000 0.000 0.768) 0.768 3.290 ( -0.000 0.000 0.768) 0.768 3.319 ( -0.000 0.000 2.502) 2.502 3.824 ( 0.000 -0.000 -0.881) 0.881 4.127 ( 0.000 -0.000 -0.587) 0.587 4.308 ( 0.000 -0.000 -5.443) 5.443 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.228 4.750 15.581) 18.249 0.528 ( 12.758 7.366 7.048) 16.331 0.732 ( 18.022 10.405 4.578) 21.307 0.896 ( 4.842 2.795 -6.480) 8.558 0.918 ( 6.955 4.015 -6.069) 10.066 1.208 ( 4.271 2.466 -10.823) 11.893 1.698 ( -0.166 -0.096 0.315) 0.369 1.735 ( 2.375 1.371 -0.497) 2.787 2.362 ( 3.707 2.140 14.544) 15.161 2.398 ( -2.089 -1.206 -0.020) 2.412 2.831 ( -2.240 -1.294 -4.552) 5.235 2.839 ( 19.311 11.149 -7.613) 23.563 2.919 ( 6.972 4.025 -3.236) 8.677 3.087 ( -1.262 -0.729 -6.364) 6.529 3.149 ( 4.432 2.559 -5.882) 7.796 3.268 ( -1.910 -1.103 0.626) 2.293 3.294 ( -0.270 -0.156 0.595) 0.672 3.318 ( 0.633 0.366 0.377) 0.823 3.769 ( -4.514 -2.606 2.476) 5.770 4.058 ( -5.506 -3.179 -0.331) 6.367 4.234 ( -5.064 -2.923 -5.877) 8.290 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 8.042 4.643 9.006) 12.936 0.832 ( 11.305 6.527 3.131) 13.425 1.029 ( 6.885 3.975 -3.796) 8.810 1.046 ( 9.077 5.241 -8.172) 13.290 1.159 ( 12.532 7.235 -0.054) 14.471 1.392 ( 11.421 6.594 -1.465) 13.269 1.694 ( -0.081 -0.047 0.093) 0.132 1.814 ( 5.022 2.899 -0.753) 5.848 2.333 ( -2.932 -1.693 -0.944) 3.515 2.495 ( 5.295 3.057 10.479) 12.133 2.772 ( -1.878 -1.084 -2.393) 3.229 2.875 ( -1.920 -1.108 -0.815) 2.362 3.028 ( -2.742 -1.583 -5.509) 6.354 3.117 ( -1.185 -0.684 2.909) 3.214 3.206 ( -3.278 -1.893 0.166) 3.789 3.221 ( 0.243 0.141 -4.638) 4.647 3.338 ( 2.171 1.253 -1.909) 3.151 3.409 ( 8.480 4.896 -6.882) 11.969 3.650 ( -5.490 -3.170 7.150) 9.556 3.893 ( -7.833 -4.522 -0.490) 9.058 4.072 ( -7.405 -4.275 -5.074) 9.943 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 5.844 3.374 2.481) 7.190 1.042 ( 6.455 3.727 -0.299) 7.460 1.169 ( 4.546 2.625 -0.221) 5.254 1.217 ( 5.729 3.307 -3.586) 7.524 1.404 ( 9.193 5.308 -1.204) 10.683 1.602 ( 4.751 2.743 1.287) 5.635 1.707 ( 1.476 0.852 0.103) 1.708 2.002 ( 10.440 6.027 0.140) 12.056 2.283 ( -0.488 -0.282 -1.326) 1.441 2.625 ( 4.172 2.409 4.271) 6.438 2.752 ( 0.371 0.214 0.767) 0.878 2.805 ( -3.808 -2.198 -0.558) 4.432 2.942 ( -3.810 -2.200 -2.450) 5.036 3.033 ( -4.700 -2.713 2.301) 5.894 3.130 ( -2.732 -1.577 -1.150) 3.358 3.193 ( -1.965 -1.134 -2.537) 3.403 3.283 ( -6.605 -3.813 -1.052) 7.699 3.484 ( -0.620 -0.358 -1.900) 2.030 3.571 ( -4.942 -2.854 0.387) 5.720 3.768 ( -1.017 -0.587 1.455) 1.870 3.900 ( -5.788 -3.342 -2.784) 7.240 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 4.827 2.787 -1.912) 5.893 1.139 ( 1.855 1.071 -1.043) 2.382 1.223 ( 0.636 0.367 0.809) 1.092 1.259 ( -1.613 -0.931 0.733) 2.002 1.608 ( 8.133 4.696 -0.344) 9.397 1.646 ( -0.074 -0.043 1.111) 1.114 1.766 ( 3.278 1.892 0.322) 3.799 2.127 ( -1.646 -0.950 -1.302) 2.303 2.378 ( 7.982 4.608 0.712) 9.244 2.691 ( 0.199 0.115 -0.417) 0.476 2.708 ( -3.861 -2.229 -0.100) 4.459 2.751 ( -0.939 -0.542 1.686) 2.004 2.885 ( 0.144 0.083 0.790) 0.807 2.934 ( -4.402 -2.542 1.798) 5.392 3.092 ( -0.204 -0.118 -1.332) 1.353 3.092 ( -4.224 -2.439 -4.367) 6.547 3.157 ( -3.403 -1.965 2.715) 4.776 3.401 ( -7.685 -4.437 -0.639) 8.897 3.433 ( -3.387 -1.955 -1.612) 4.230 3.749 ( -1.847 -1.066 -1.826) 2.808 3.843 ( 0.425 0.246 0.876) 1.004 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.567 0.327 -3.818) 3.874 1.126 ( -2.270 -1.311 2.510) 3.629 1.206 ( -0.924 -0.533 4.410) 4.537 1.242 ( 1.203 0.695 -2.414) 2.786 1.624 ( -1.382 -0.798 0.829) 1.798 1.755 ( 3.353 1.936 -1.492) 4.149 1.842 ( 2.761 1.594 0.668) 3.257 2.024 ( -4.446 -2.567 -1.274) 5.290 2.478 ( -0.746 -0.431 2.320) 2.475 2.614 ( -4.443 -2.565 2.107) 5.546 2.643 ( -2.642 -1.525 -0.412) 3.079 2.764 ( 0.523 0.302 -1.487) 1.605 2.880 ( 1.540 0.889 -0.323) 1.807 2.923 ( 2.408 1.390 -0.789) 2.890 3.051 ( -0.969 -0.559 -1.898) 2.203 3.103 ( -0.567 -0.327 2.797) 2.872 3.108 ( 1.166 0.673 0.598) 1.473 3.254 ( -4.275 -2.468 -1.062) 5.050 3.344 ( -3.661 -2.114 -0.668) 4.280 3.709 ( -1.203 -0.695 -1.158) 1.809 3.852 ( -0.033 -0.019 -0.371) 0.373 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.000 13.869 13.225) 19.164 0.586 ( -0.000 15.707 4.640) 16.378 0.691 ( -0.000 16.160 5.940) 17.217 0.862 ( 0.000 4.449 -5.747) 7.268 0.930 ( 0.000 9.329 -5.872) 11.023 1.175 ( 0.000 4.245 -9.994) 10.858 1.696 ( -0.000 -0.236 0.445) 0.504 1.736 ( 0.000 2.717 -0.466) 2.757 2.373 ( -0.000 3.399 13.800) 14.212 2.401 ( 0.000 -2.297 -0.442) 2.339 2.823 ( 0.000 25.921 -4.238) 26.266 2.850 ( 0.000 -1.346 -4.640) 4.831 2.888 ( 0.000 2.126 -2.273) 3.113 3.061 ( 0.000 -2.023 -5.716) 6.064 3.143 ( 0.000 4.676 -4.924) 6.790 3.272 ( -0.000 -2.105 0.381) 2.140 3.299 ( -0.000 0.702 0.489) 0.856 3.318 ( -0.000 -0.447 0.635) 0.777 3.793 ( -0.000 -2.126 0.751) 2.254 4.061 ( -0.000 -6.202 0.111) 6.203 4.217 ( 0.000 -6.551 -6.244) 9.050 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 2.380 11.642 10.846) 16.088 0.810 ( 4.784 14.631 2.691) 15.626 0.922 ( 8.549 7.249 -6.522) 12.968 0.979 ( 6.240 7.185 -5.357) 10.920 1.077 ( 6.045 11.373 -0.246) 12.882 1.296 ( 6.811 9.892 -2.653) 12.299 1.698 ( 0.202 0.238 0.182) 0.362 1.784 ( 2.081 3.752 -0.592) 4.331 2.352 ( -1.984 -2.806 -1.161) 3.628 2.473 ( 3.421 3.932 10.835) 12.023 2.780 ( -2.813 -1.913 -3.713) 5.036 2.894 ( -0.686 -0.508 -0.339) 0.919 3.026 ( -0.291 -2.364 -5.077) 5.608 3.095 ( 4.073 3.160 2.028) 5.540 3.191 ( -0.255 0.346 -3.377) 3.404 3.265 ( 0.519 2.916 -0.868) 3.087 3.305 ( 1.102 0.109 -0.043) 1.109 3.340 ( 3.890 4.586 -3.240) 6.831 3.727 ( -4.902 -2.578 2.589) 6.114 3.943 ( -4.656 -7.626 -0.446) 8.946 4.095 ( -3.680 -8.217 -5.135) 10.365 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 2.179 8.136 4.896) 9.742 1.015 ( 5.039 8.680 0.898) 10.077 1.136 ( 5.871 5.840 -5.258) 9.809 1.141 ( 6.146 8.050 -1.046) 10.182 1.304 ( 8.206 7.088 -1.211) 10.910 1.523 ( 7.223 5.050 0.696) 8.840 1.715 ( 0.428 2.395 0.157) 2.438 1.910 ( 7.068 7.245 -0.220) 10.124 2.287 ( -1.710 -2.381 -1.034) 3.109 2.589 ( 3.571 2.875 5.783) 7.379 2.718 ( -0.472 -3.169 -1.144) 3.402 2.860 ( -2.282 -0.450 0.797) 2.459 2.970 ( -2.246 -2.316 -4.825) 5.804 3.077 ( -2.812 -3.624 2.624) 5.285 3.128 ( -2.190 -3.969 -0.849) 4.611 3.250 ( -3.390 1.745 -0.286) 3.823 3.333 ( 0.072 -0.827 -2.574) 2.704 3.492 ( 1.725 4.687 -4.778) 6.912 3.599 ( -4.040 -5.425 5.332) 8.613 3.785 ( -4.091 -5.413 0.901) 6.845 3.924 ( -4.587 -8.174 -3.917) 10.158 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.921 6.359 1.272) 6.764 1.148 ( 1.466 5.591 -0.427) 5.796 1.251 ( 0.255 3.669 0.337) 3.693 1.260 ( 2.345 4.183 -1.934) 5.170 1.509 ( 8.258 5.324 -0.519) 9.839 1.620 ( 2.683 -0.997 0.777) 2.966 1.764 ( 0.993 4.289 0.364) 4.417 2.116 ( 3.885 3.741 0.285) 5.401 2.277 ( 5.130 0.549 -0.652) 5.200 2.660 ( 1.873 -0.054 0.152) 1.879 2.695 ( 1.136 -2.960 1.607) 3.555 2.818 ( -3.540 1.091 -0.032) 3.704 2.894 ( -1.885 -1.862 -0.942) 2.812 2.993 ( -3.557 -1.674 1.462) 4.194 3.059 ( -0.667 -3.773 -0.911) 3.938 3.193 ( -5.582 0.709 -0.561) 5.655 3.231 ( -6.785 -1.879 0.057) 7.040 3.453 ( -2.262 -2.399 -0.795) 3.392 3.485 ( -6.833 -4.212 -1.520) 8.170 3.740 ( 0.353 -3.009 0.190) 3.036 3.797 ( 0.831 -5.964 -0.563) 6.048 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.163 4.642 -2.172) 5.255 1.167 ( -2.200 0.482 1.863) 2.922 1.278 ( -2.491 4.049 0.773) 4.816 1.286 ( -2.347 5.202 0.032) 5.707 1.632 ( 0.208 -1.229 1.087) 1.653 1.686 ( 6.592 2.849 -1.035) 7.256 1.829 ( 1.514 3.746 0.414) 4.061 2.069 ( -4.868 -3.704 -1.039) 6.204 2.427 ( 5.655 -0.558 1.945) 6.006 2.649 ( -0.918 -1.899 -0.317) 2.133 2.706 ( -1.349 1.435 0.445) 2.019 2.751 ( -1.488 -0.261 0.085) 1.513 2.895 ( 1.082 0.813 0.403) 1.412 2.926 ( -3.676 0.481 1.726) 4.089 3.006 ( -0.319 -3.334 -3.443) 4.804 3.109 ( -1.097 0.429 0.590) 1.318 3.160 ( -2.689 0.520 1.263) 3.016 3.310 ( -6.595 -3.983 -1.017) 7.771 3.376 ( -3.298 -2.806 -0.915) 4.425 3.693 ( 0.015 -3.838 -1.328) 4.062 3.802 ( 3.119 -4.341 0.236) 5.350 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.000 11.726 4.582) 12.590 0.896 ( 0.000 12.344 -2.496) 12.594 0.909 ( 0.000 7.552 -5.334) 9.246 0.975 ( -0.000 8.265 0.810) 8.304 1.159 ( 0.000 13.308 -0.858) 13.336 1.370 ( -0.000 14.901 0.780) 14.921 1.694 ( -0.000 0.065 0.071) 0.097 1.813 ( 0.000 5.759 -0.524) 5.783 2.337 ( 0.000 -3.241 -1.693) 3.656 2.506 ( -0.000 5.101 8.918) 10.274 2.803 ( 0.000 -1.316 -3.581) 3.815 2.877 ( 0.000 -2.109 -1.064) 2.362 2.992 ( 0.000 -2.893 -3.371) 4.442 3.086 ( -0.000 0.359 5.310) 5.322 3.209 ( -0.000 -4.072 -0.016) 4.072 3.235 ( 0.000 2.698 -4.541) 5.282 3.322 ( 0.000 0.304 -0.586) 0.660 3.343 ( -0.000 5.648 1.218) 5.778 3.748 ( 0.000 -2.955 -2.649) 3.969 3.897 ( 0.000 -8.479 -0.875) 8.524 4.029 ( 0.000 -9.366 -2.451) 9.681 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 2.244 5.415 -4.901) 7.641 1.021 ( 2.760 9.129 1.887) 9.722 1.094 ( 5.836 6.912 -0.029) 9.047 1.126 ( 5.251 10.092 1.605) 11.489 1.303 ( 2.019 10.840 -1.092) 11.080 1.522 ( 1.116 9.149 0.871) 9.258 1.716 ( 1.823 1.654 0.011) 2.462 1.910 ( 2.721 9.888 -0.222) 10.258 2.288 ( -1.511 -2.749 -1.301) 3.396 2.586 ( 1.670 3.866 5.546) 6.963 2.732 ( -3.985 -1.448 -2.542) 4.944 2.865 ( 0.581 -2.121 0.469) 2.249 2.954 ( -0.442 -3.009 -2.985) 4.261 3.072 ( -0.808 -4.109 3.275) 5.316 3.134 ( -2.569 -3.728 -1.424) 4.746 3.271 ( 3.252 -1.801 -3.495) 5.102 3.312 ( -1.093 -0.577 0.784) 1.464 3.447 ( 4.948 2.549 3.312) 6.476 3.647 ( -4.964 -6.530 -2.821) 8.674 3.799 ( -3.214 -4.145 -1.227) 5.386 3.901 ( -3.569 -8.838 -0.602) 9.550 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.574 6.423 -0.133) 6.921 1.146 ( 2.868 3.883 0.556) 4.859 1.246 ( 4.090 6.177 -0.763) 7.447 1.295 ( 3.473 6.172 0.076) 7.082 1.453 ( 4.715 8.034 -0.290) 9.320 1.577 ( 0.267 0.668 -0.022) 0.720 1.786 ( 2.237 3.956 0.100) 4.546 2.096 ( 5.593 10.001 0.033) 11.459 2.232 ( -1.442 -2.671 -0.441) 3.067 2.649 ( 1.740 1.151 2.252) 3.070 2.661 ( -1.946 -1.237 -1.028) 2.525 2.855 ( -0.127 -0.657 1.439) 1.587 2.898 ( -1.768 -2.922 -2.829) 4.435 3.018 ( -1.105 -2.265 0.609) 2.593 3.049 ( -2.470 -3.625 -0.420) 4.406 3.253 ( -2.237 -2.331 0.750) 3.316 3.287 ( -1.341 -3.576 -1.552) 4.122 3.475 ( -3.124 -5.775 0.704) 6.604 3.532 ( -0.094 -1.125 -0.518) 1.242 3.698 ( -3.107 -3.514 0.864) 4.769 3.747 ( -3.436 -7.145 -1.275) 8.030 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.173 5.782 1.419) 5.956 1.193 ( 0.568 0.208 -1.022) 1.187 1.350 ( 0.589 6.011 -0.412) 6.053 1.384 ( -0.657 6.628 0.579) 6.686 1.584 ( 2.682 -0.801 0.357) 2.822 1.609 ( 5.083 3.298 -0.748) 6.105 1.855 ( 0.920 3.846 0.141) 3.957 2.139 ( -5.685 -0.174 -0.240) 5.693 2.302 ( 8.440 1.214 0.829) 8.567 2.621 ( -0.297 -2.599 -0.175) 2.622 2.693 ( 1.897 0.894 0.546) 2.167 2.826 ( -3.653 0.716 -1.341) 3.957 2.873 ( 1.741 -0.181 0.505) 1.822 2.969 ( -2.797 -1.668 1.291) 3.503 3.003 ( -0.107 -0.843 -0.545) 1.010 3.163 ( -5.250 -3.661 -0.874) 6.460 3.185 ( -1.872 -3.457 1.295) 4.139 3.405 ( -3.161 -1.576 -1.441) 3.814 3.417 ( -7.914 -2.172 0.133) 8.207 3.643 ( -0.880 -5.798 -1.314) 6.010 3.673 ( 4.157 -6.208 1.058) 7.545 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 3.657 -6.981) 7.881 1.049 ( 0.000 5.664 -1.536) 5.868 1.161 ( -0.000 8.634 6.734) 10.949 1.164 ( -0.000 6.974 0.709) 7.010 1.403 ( 0.000 11.020 -1.065) 11.071 1.608 ( -0.000 6.152 0.286) 6.159 1.709 ( 0.000 1.764 -0.242) 1.780 2.005 ( 0.000 12.629 -0.329) 12.633 2.277 ( 0.000 -1.307 -0.651) 1.460 2.626 ( -0.000 4.147 3.416) 5.373 2.781 ( 0.000 0.068 -2.539) 2.540 2.805 ( 0.000 -4.433 -0.546) 4.467 2.926 ( 0.000 -2.728 -0.687) 2.813 3.041 ( -0.000 -4.209 2.145) 4.724 3.122 ( -0.000 -3.913 0.332) 3.927 3.196 ( 0.000 -4.247 -3.789) 5.691 3.272 ( -0.000 -5.102 0.538) 5.131 3.443 ( -0.000 0.882 4.381) 4.469 3.595 ( 0.000 -9.405 -2.925) 9.849 3.796 ( 0.000 -2.216 -3.335) 4.004 3.869 ( -0.000 -4.813 2.300) 5.334 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.408 3.839 -2.879) 6.516 1.148 ( 4.100 3.691 -0.083) 5.518 1.241 ( 1.268 4.340 3.357) 5.631 1.258 ( 4.547 3.224 -0.520) 5.598 1.509 ( 0.301 9.759 -0.310) 9.769 1.623 ( -2.344 1.950 -0.516) 3.093 1.766 ( 3.207 3.067 -0.285) 4.446 2.119 ( 1.243 4.959 -0.845) 5.182 2.274 ( -1.946 5.052 0.507) 5.438 2.656 ( -0.967 1.373 1.332) 2.143 2.705 ( -3.042 -0.409 -1.730) 3.524 2.817 ( 2.289 -3.004 0.546) 3.816 2.893 ( -0.834 -1.826 -0.622) 2.102 2.999 ( -0.100 -3.263 -0.651) 3.329 3.057 ( -2.448 -3.069 0.057) 3.926 3.193 ( 4.582 -6.064 -0.607) 7.625 3.233 ( 0.740 -4.963 -0.722) 5.069 3.441 ( 0.065 -3.260 3.367) 4.687 3.483 ( -1.117 -8.131 -0.808) 8.247 3.742 ( -2.554 -3.150 -0.515) 4.088 3.795 ( -5.683 -0.629 0.273) 5.724 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 4.242 -0.088) 4.243 1.133 ( -0.000 2.419 1.043) 2.634 1.230 ( 0.000 0.477 -1.428) 1.506 1.260 ( -0.000 -0.234 0.551) 0.599 1.606 ( -0.000 9.211 0.309) 9.216 1.654 ( 0.000 -0.087 -1.515) 1.518 1.768 ( 0.000 3.855 -0.317) 3.868 2.122 ( -0.000 -2.576 0.325) 2.596 2.381 ( 0.000 10.146 -0.228) 10.148 2.688 ( -0.000 0.250 0.727) 0.768 2.708 ( 0.000 -4.392 -0.310) 4.403 2.761 ( 0.000 -1.157 -1.704) 2.059 2.888 ( 0.000 -0.135 -0.425) 0.446 2.949 ( 0.000 -5.629 -3.250) 6.500 3.066 ( -0.000 -4.762 4.709) 6.697 3.084 ( -0.000 0.077 1.236) 1.238 3.175 ( 0.000 -3.756 -3.581) 5.189 3.393 ( -0.000 -8.309 2.382) 8.644 3.428 ( -0.000 -4.337 0.284) 4.347 3.740 ( -0.000 -2.273 1.300) 2.618 3.847 ( 0.000 0.446 -0.555) 0.712 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -0.000 0.000 8.453) 8.453 0.389 ( -0.000 0.000 8.453) 8.453 0.546 ( -0.000 0.000 19.938) 19.938 0.805 ( 0.000 -0.000 -6.407) 6.407 0.805 ( 0.000 -0.000 -6.407) 6.407 1.123 ( 0.000 -0.000 -14.269) 14.269 1.701 ( -0.000 0.000 0.364) 0.364 1.701 ( -0.000 0.000 0.364) 0.364 2.368 ( -0.000 0.000 13.480) 13.480 2.368 ( -0.000 0.000 13.480) 13.480 2.433 ( 0.000 -0.000 -1.655) 1.655 2.847 ( 0.000 -0.000 -5.454) 5.454 2.847 ( 0.000 -0.000 -5.454) 5.454 3.076 ( 0.000 -0.000 -4.816) 4.816 3.076 ( 0.000 -0.000 -4.816) 4.816 3.293 ( -0.000 0.000 0.418) 0.418 3.293 ( -0.000 0.000 0.418) 0.418 3.336 ( -0.000 0.000 3.435) 3.435 3.822 ( -0.000 0.000 0.042) 0.042 4.129 ( -0.000 0.000 1.113) 1.113 4.272 ( 0.000 -0.000 -7.064) 7.064 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 11.876 6.857 6.382) 15.126 0.586 ( 8.258 4.768 13.007) 16.128 0.744 ( 13.352 7.709 -0.973) 15.448 0.861 ( 5.171 2.986 -5.512) 8.126 0.897 ( 8.504 4.910 -1.234) 9.896 1.151 ( 5.945 3.432 -9.092) 11.393 1.699 ( -0.215 -0.124 0.082) 0.261 1.733 ( 2.283 1.318 -0.166) 2.641 2.396 ( -2.336 -1.349 -0.430) 2.732 2.433 ( 3.183 1.837 10.141) 10.787 2.808 ( -1.801 -1.040 -3.288) 3.891 2.814 ( 20.250 11.691 -1.800) 23.452 2.902 ( 5.784 3.339 -2.961) 7.306 3.055 ( -1.346 -0.777 -4.652) 4.905 3.122 ( 4.573 2.640 -3.627) 6.406 3.271 ( -1.923 -1.110 0.407) 2.258 3.298 ( -0.070 -0.040 0.546) 0.551 3.323 ( -0.790 -0.456 1.034) 1.379 3.782 ( -3.429 -1.980 2.245) 4.552 4.060 ( -5.761 -3.326 0.812) 6.701 4.199 ( -4.835 -2.791 -6.079) 8.254 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 6.328 3.653 10.096) 12.462 0.853 ( 10.445 6.030 4.047) 12.721 1.000 ( 10.000 5.774 -8.382) 14.269 1.008 ( 7.634 4.408 -3.841) 9.616 1.158 ( 11.634 6.717 -0.250) 13.437 1.383 ( 12.929 7.464 -1.518) 15.006 1.694 ( -0.073 -0.042 0.034) 0.091 1.811 ( 5.002 2.888 -0.237) 5.780 2.329 ( -2.985 -1.723 -0.340) 3.464 2.540 ( 4.378 2.528 4.739) 6.930 2.766 ( -1.245 -0.719 0.578) 1.550 2.872 ( -1.831 -1.057 -0.199) 2.124 3.001 ( -2.509 -1.448 -4.149) 5.060 3.133 ( -0.763 -0.440 1.324) 1.591 3.199 ( 1.249 0.721 -2.074) 2.526 3.207 ( -3.440 -1.986 0.194) 3.977 3.328 ( 1.641 0.947 -1.601) 2.481 3.376 ( 7.421 4.284 -4.738) 9.791 3.690 ( -4.649 -2.684 6.950) 8.782 3.892 ( -7.729 -4.463 0.120) 8.926 4.044 ( -7.098 -4.098 -4.685) 9.441 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 4.470 2.581 4.630) 6.934 1.043 ( 5.701 3.291 0.660) 6.615 1.167 ( 5.294 3.056 -0.489) 6.132 1.194 ( 6.672 3.852 -4.961) 9.164 1.400 ( 9.375 5.412 -0.116) 10.826 1.607 ( 4.963 2.865 0.532) 5.756 1.708 ( 1.498 0.865 0.189) 1.740 2.003 ( 10.689 6.171 0.343) 12.347 2.277 ( -0.710 -0.410 -0.533) 0.978 2.637 ( 3.335 1.925 -0.158) 3.854 2.764 ( 0.510 0.294 3.105) 3.161 2.803 ( -3.812 -2.201 -0.051) 4.402 2.929 ( -2.861 -1.652 -1.649) 3.692 3.044 ( -4.600 -2.656 1.105) 5.425 3.125 ( -3.101 -1.790 -0.777) 3.663 3.185 ( -2.487 -1.436 -0.035) 2.872 3.277 ( -5.496 -3.173 -1.010) 6.426 3.467 ( 0.402 0.232 -3.877) 3.904 3.580 ( -6.870 -3.967 2.417) 8.293 3.779 ( -1.426 -0.823 2.526) 3.015 3.884 ( -4.833 -2.790 -2.922) 6.299 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 14.480 1.043) 14.518 0.626 ( -0.000 15.041 8.185) 17.124 0.714 ( -0.000 9.600 2.229) 9.856 0.838 ( 0.000 5.160 -2.340) 5.666 0.906 ( 0.000 10.488 -2.269) 10.731 1.128 ( 0.000 6.713 -6.106) 9.074 1.698 ( -0.000 -0.270 0.278) 0.388 1.734 ( 0.000 2.627 -0.265) 2.641 2.397 ( 0.000 -2.608 -0.710) 2.703 2.439 ( -0.000 2.992 9.110) 9.588 2.813 ( 0.000 25.075 -0.317) 25.077 2.821 ( 0.000 -1.062 -5.061) 5.171 2.880 ( 0.000 3.505 -0.334) 3.521 3.038 ( 0.000 -2.012 -2.139) 2.937 3.120 ( 0.000 5.165 -3.108) 6.028 3.273 ( -0.000 -2.158 0.052) 2.158 3.300 ( -0.000 0.729 0.077) 0.733 3.324 ( -0.000 -1.833 1.046) 2.110 3.795 ( -0.000 -2.283 0.085) 2.285 4.064 ( -0.000 -6.594 0.676) 6.628 4.184 ( 0.000 -6.015 -4.484) 7.502 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.749 9.759 7.721) 12.744 0.818 ( 5.363 11.868 -0.371) 13.029 0.889 ( 8.404 9.795 -4.278) 13.597 0.955 ( 5.084 7.150 -2.704) 9.180 1.078 ( 6.270 10.955 0.248) 12.625 1.285 ( 7.204 11.822 -1.045) 13.883 1.699 ( 0.162 0.241 0.059) 0.296 1.781 ( 2.090 3.682 -0.193) 4.238 2.347 ( -1.878 -3.030 -0.521) 3.603 2.518 ( 2.706 3.687 4.671) 6.538 2.763 ( -1.987 -2.003 -1.980) 3.447 2.893 ( -0.355 -0.289 0.002) 0.458 3.005 ( -0.933 -2.410 -2.117) 3.341 3.110 ( 4.542 5.593 2.410) 7.598 3.173 ( -0.008 0.993 -2.583) 2.767 3.263 ( 0.232 1.368 -0.065) 1.389 3.305 ( 0.464 0.035 -0.041) 0.467 3.328 ( 3.136 4.736 -1.188) 5.803 3.738 ( -3.209 -3.418 1.112) 4.819 3.942 ( -4.671 -7.925 -0.024) 9.199 4.072 ( -3.915 -7.558 -2.418) 8.849 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.090 6.444 5.112) 8.487 1.022 ( 5.368 7.958 1.268) 9.683 1.108 ( 5.591 6.880 -4.453) 9.920 1.134 ( 6.201 9.014 -1.339) 11.023 1.300 ( 8.245 7.089 -0.103) 10.874 1.524 ( 7.298 5.258 -0.095) 8.995 1.716 ( 0.462 2.421 0.077) 2.466 1.910 ( 7.197 7.336 0.044) 10.277 2.284 ( -1.662 -2.522 0.065) 3.021 2.605 ( 2.530 2.861 -0.456) 3.847 2.719 ( 0.472 -3.630 1.601) 3.995 2.865 ( -2.301 -0.202 0.743) 2.427 2.950 ( -2.039 -2.300 -1.825) 3.575 3.084 ( -3.353 -3.593 -0.590) 4.950 3.127 ( -1.770 -3.959 0.652) 4.385 3.255 ( -3.471 2.162 1.916) 4.516 3.320 ( 0.140 -1.067 -2.045) 2.311 3.467 ( 0.890 5.303 -4.043) 6.728 3.626 ( -3.823 -6.644 4.361) 8.818 3.791 ( -3.098 -4.990 1.413) 6.041 3.906 ( -4.842 -7.753 -2.351) 9.439 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 6.058 -10.793) 12.377 0.876 ( 0.000 11.550 -4.212) 12.294 0.951 ( -0.000 12.563 9.129) 15.530 0.988 ( -0.000 9.187 3.155) 9.713 1.157 ( 0.000 13.081 0.054) 13.081 1.375 ( -0.000 15.548 1.175) 15.593 1.694 ( -0.000 -0.027 0.015) 0.031 1.811 ( 0.000 5.766 -0.186) 5.769 2.330 ( 0.000 -3.396 -0.771) 3.483 2.543 ( -0.000 4.564 3.579) 5.800 2.780 ( 0.000 -0.955 -4.091) 4.201 2.873 ( 0.000 -2.081 -0.490) 2.138 2.985 ( -0.000 -2.859 1.000) 3.029 3.119 ( -0.000 0.048 5.513) 5.513 3.208 ( 0.000 -0.677 -2.556) 2.644 3.208 ( 0.000 -1.374 -2.062) 2.478 3.321 ( -0.000 1.017 0.546) 1.154 3.355 ( -0.000 7.180 2.967) 7.769 3.725 ( 0.000 -4.221 -5.416) 6.867 3.894 ( 0.000 -8.768 -0.460) 8.780 4.025 ( -0.000 -8.425 1.454) 8.550 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -0.000 0.000 3.271) 3.271 0.422 ( -0.000 0.000 3.271) 3.271 0.631 ( -0.000 0.000 8.891) 8.891 0.779 ( 0.000 -0.000 -2.651) 2.651 0.779 ( 0.000 -0.000 -2.651) 2.651 1.059 ( 0.000 -0.000 -7.019) 7.019 1.702 ( -0.000 0.000 0.115) 0.115 1.702 ( -0.000 0.000 0.115) 0.115 2.424 ( -0.000 0.000 5.688) 5.688 2.424 ( -0.000 0.000 5.688) 5.688 2.426 ( 0.000 -0.000 -0.681) 0.681 2.822 ( 0.000 -0.000 -2.804) 2.804 2.822 ( 0.000 -0.000 -2.804) 2.804 3.058 ( 0.000 -0.000 -1.705) 1.705 3.058 ( 0.000 -0.000 -1.705) 1.705 3.295 ( -0.000 0.000 0.132) 0.132 3.295 ( -0.000 0.000 0.132) 0.132 3.352 ( -0.000 0.000 1.622) 1.622 3.823 ( -0.000 0.000 0.203) 0.203 4.137 ( -0.000 0.000 1.157) 1.157 4.239 ( 0.000 -0.000 -3.743) 3.743 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.34e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 11.811 6.819 3.565) 14.096 0.639 ( 11.349 6.552 4.619) 13.895 0.727 ( 7.891 4.556 -3.506) 9.763 0.838 ( 5.049 2.915 -2.405) 6.307 0.899 ( 9.571 5.526 1.001) 11.097 1.117 ( 6.858 3.959 -2.364) 8.264 1.699 ( -0.237 -0.137 -0.109) 0.294 1.733 ( 2.248 1.298 0.075) 2.597 2.395 ( -2.360 -1.362 0.076) 2.726 2.465 ( 2.713 1.566 0.507) 3.173 2.801 ( -1.217 -0.702 1.335) 1.938 2.812 ( 20.333 11.739 0.388) 23.482 2.886 ( 4.993 2.883 -2.443) 6.262 3.037 ( -1.564 -0.903 -1.678) 2.466 3.111 ( 4.595 2.653 -0.093) 5.307 3.273 ( -1.906 -1.100 0.198) 2.209 3.300 ( 0.360 0.208 0.229) 0.475 3.327 ( -1.729 -0.998 0.160) 2.003 3.792 ( -2.543 -1.468 1.276) 3.202 4.065 ( -5.940 -3.429 0.453) 6.874 4.175 ( -4.792 -2.766 -1.582) 5.755 =================== 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 3/46137 10.0 116.867 116.867 52.509 0.000 -0.000 0.000 3/46137 20.0 35.227 35.227 12.264 0.000 -0.000 0.000 3/46137 30.0 17.239 17.239 5.876 0.000 -0.000 0.000 3/46137 40.0 11.143 11.143 3.792 0.000 -0.000 0.000 3/46137 50.0 8.319 8.319 2.841 0.000 -0.000 0.000 3/46137 60.0 6.709 6.709 2.301 0.000 -0.000 0.000 3/46137 70.0 5.660 5.660 1.949 0.000 -0.000 0.000 3/46137 80.0 4.915 4.915 1.699 0.000 -0.000 0.000 3/46137 90.0 4.354 4.354 1.509 0.000 -0.000 0.000 3/46137 100.0 3.914 3.914 1.360 0.000 -0.000 0.000 3/46137 110.0 3.558 3.558 1.239 0.000 -0.000 0.000 3/46137 120.0 3.264 3.264 1.138 0.000 -0.000 0.000 3/46137 130.0 3.015 3.015 1.053 0.000 -0.000 0.000 3/46137 140.0 2.803 2.803 0.980 0.000 -0.000 0.000 3/46137 150.0 2.619 2.619 0.917 0.000 -0.000 0.000 3/46137 160.0 2.458 2.458 0.861 0.000 -0.000 0.000 3/46137 170.0 2.316 2.316 0.812 0.000 -0.000 0.000 3/46137 180.0 2.190 2.190 0.768 0.000 -0.000 0.000 3/46137 190.0 2.077 2.077 0.729 0.000 -0.000 0.000 3/46137 200.0 1.975 1.975 0.694 0.000 -0.000 0.000 3/46137 210.0 1.883 1.883 0.662 0.000 -0.000 0.000 3/46137 220.0 1.799 1.799 0.632 0.000 -0.000 0.000 3/46137 230.0 1.722 1.722 0.606 0.000 -0.000 0.000 3/46137 240.0 1.651 1.651 0.581 0.000 -0.000 0.000 3/46137 250.0 1.587 1.587 0.558 0.000 -0.000 0.000 3/46137 260.0 1.527 1.527 0.537 0.000 -0.000 0.000 3/46137 270.0 1.471 1.471 0.518 0.000 -0.000 0.000 3/46137 280.0 1.419 1.419 0.500 0.000 -0.000 0.000 3/46137 290.0 1.371 1.371 0.483 0.000 -0.000 0.000 3/46137 300.0 1.326 1.326 0.467 0.000 -0.000 0.000 3/46137 310.0 1.284 1.284 0.453 0.000 -0.000 0.000 3/46137 320.0 1.245 1.245 0.439 0.000 -0.000 0.000 3/46137 330.0 1.207 1.207 0.426 0.000 -0.000 0.000 3/46137 340.0 1.173 1.173 0.414 0.000 -0.000 0.000 3/46137 350.0 1.139 1.139 0.402 0.000 -0.000 0.000 3/46137 360.0 1.108 1.108 0.391 0.000 -0.000 0.000 3/46137 370.0 1.079 1.079 0.381 0.000 -0.000 0.000 3/46137 380.0 1.051 1.051 0.371 0.000 -0.000 0.000 3/46137 390.0 1.024 1.024 0.361 0.000 -0.000 0.000 3/46137 400.0 0.999 0.999 0.353 0.000 -0.000 0.000 3/46137 410.0 0.975 0.975 0.344 0.000 -0.000 0.000 3/46137 420.0 0.952 0.952 0.336 0.000 -0.000 0.000 3/46137 430.0 0.930 0.930 0.328 0.000 -0.000 0.000 3/46137 440.0 0.909 0.909 0.321 0.000 -0.000 0.000 3/46137 450.0 0.889 0.889 0.314 0.000 -0.000 0.000 3/46137 460.0 0.870 0.870 0.307 0.000 -0.000 0.000 3/46137 470.0 0.852 0.852 0.301 0.000 -0.000 0.000 3/46137 480.0 0.834 0.834 0.295 0.000 -0.000 0.000 3/46137 490.0 0.817 0.817 0.289 0.000 -0.000 0.000 3/46137 500.0 0.801 0.801 0.283 0.000 -0.000 0.000 3/46137 510.0 0.786 0.786 0.278 0.000 -0.000 0.000 3/46137 520.0 0.771 0.771 0.272 0.000 -0.000 0.000 3/46137 530.0 0.756 0.756 0.267 0.000 -0.000 0.000 3/46137 540.0 0.743 0.743 0.262 0.000 -0.000 0.000 3/46137 550.0 0.729 0.729 0.258 0.000 -0.000 0.000 3/46137 560.0 0.716 0.716 0.253 0.000 -0.000 0.000 3/46137 570.0 0.704 0.704 0.249 0.000 -0.000 0.000 3/46137 580.0 0.692 0.692 0.245 0.000 -0.000 0.000 3/46137 590.0 0.680 0.680 0.240 0.000 -0.000 0.000 3/46137 600.0 0.669 0.669 0.237 0.000 -0.000 0.000 3/46137 610.0 0.658 0.658 0.233 0.000 -0.000 0.000 3/46137 620.0 0.648 0.648 0.229 0.000 -0.000 0.000 3/46137 630.0 0.637 0.637 0.225 0.000 -0.000 0.000 3/46137 640.0 0.628 0.628 0.222 0.000 -0.000 0.000 3/46137 650.0 0.618 0.618 0.219 0.000 -0.000 0.000 3/46137 660.0 0.609 0.609 0.215 0.000 -0.000 0.000 3/46137 670.0 0.600 0.600 0.212 0.000 -0.000 0.000 3/46137 680.0 0.591 0.591 0.209 0.000 -0.000 0.000 3/46137 690.0 0.583 0.583 0.206 0.000 -0.000 0.000 3/46137 700.0 0.574 0.574 0.203 0.000 -0.000 0.000 3/46137 710.0 0.566 0.566 0.200 0.000 -0.000 0.000 3/46137 720.0 0.558 0.558 0.198 0.000 -0.000 0.000 3/46137 730.0 0.551 0.551 0.195 0.000 -0.000 0.000 3/46137 740.0 0.543 0.543 0.192 0.000 -0.000 0.000 3/46137 750.0 0.536 0.536 0.190 0.000 -0.000 0.000 3/46137 760.0 0.529 0.529 0.187 0.000 -0.000 0.000 3/46137 770.0 0.522 0.522 0.185 0.000 -0.000 0.000 3/46137 780.0 0.516 0.516 0.182 0.000 -0.000 0.000 3/46137 790.0 0.509 0.509 0.180 0.000 -0.000 0.000 3/46137 800.0 0.503 0.503 0.178 0.000 -0.000 0.000 3/46137 810.0 0.497 0.497 0.176 0.000 -0.000 0.000 3/46137 820.0 0.491 0.491 0.174 0.000 -0.000 0.000 3/46137 830.0 0.485 0.485 0.172 0.000 -0.000 0.000 3/46137 840.0 0.479 0.479 0.170 0.000 -0.000 0.000 3/46137 850.0 0.474 0.474 0.168 0.000 -0.000 0.000 3/46137 860.0 0.468 0.468 0.166 0.000 -0.000 0.000 3/46137 870.0 0.463 0.463 0.164 0.000 -0.000 0.000 3/46137 880.0 0.458 0.458 0.162 0.000 -0.000 0.000 3/46137 890.0 0.452 0.452 0.160 0.000 -0.000 0.000 3/46137 900.0 0.447 0.447 0.158 0.000 -0.000 0.000 3/46137 910.0 0.443 0.443 0.157 0.000 -0.000 0.000 3/46137 920.0 0.438 0.438 0.155 0.000 -0.000 0.000 3/46137 930.0 0.433 0.433 0.153 0.000 -0.000 0.000 3/46137 940.0 0.429 0.429 0.152 0.000 -0.000 0.000 3/46137 950.0 0.424 0.424 0.150 0.000 -0.000 0.000 3/46137 960.0 0.420 0.420 0.149 0.000 -0.000 0.000 3/46137 970.0 0.415 0.415 0.147 0.000 -0.000 0.000 3/46137 980.0 0.411 0.411 0.146 0.000 -0.000 0.000 3/46137 990.0 0.407 0.407 0.144 0.000 -0.000 0.000 3/46137 1000.0 0.403 0.403 0.143 0.000 -0.000 0.000 3/46137 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:32:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|