----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:56:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.852100130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.852100130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 2 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 3 Lu 0.50000000000000 0.50000000000000 0.83452176823163 174.967 4 Lu 0.50000000000000 0.50000000000000 0.16547823176837 174.967 *5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 *7 O 0.81424226060094 0.81424226060094 0.85035720370948 15.999 8 O 0.81424226060094 0.81424226060094 0.14964279629052 15.999 *9 O 0.78357507303675 0.78357507303675 0.50000000000000 15.999 10 O 0.28357507303675 0.71642492696325 0.00000000000000 15.999 11 O 0.31424226060094 0.68575773939906 0.64964279629052 15.999 12 O 0.31424226060094 0.68575773939906 0.35035720370948 15.999 13 O 0.68575773939906 0.31424226060094 0.64964279629052 15.999 14 O 0.68575773939906 0.31424226060094 0.35035720370948 15.999 15 O 0.71642492696325 0.28357507303675 0.00000000000000 15.999 16 O 0.21642492696325 0.21642492696325 0.50000000000000 15.999 17 O 0.18575773939906 0.18575773939906 0.85035720370948 15.999 18 O 0.18575773939906 0.18575773939906 0.14964279629052 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.852100130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.852100130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 > 1 2 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 > 2 3 Lu 0.50000000000000 0.50000000000000 0.83452176823163 174.967 > 3 4 Lu 0.50000000000000 0.50000000000000 0.16547823176837 174.967 > 4 *5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 5 6 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 6 *7 O 0.81424226060094 0.81424226060094 0.85035720370948 15.999 > 7 8 O 0.81424226060094 0.81424226060094 0.14964279629052 15.999 > 8 *9 O 0.78357507303675 0.78357507303675 0.50000000000000 15.999 > 9 10 O 0.28357507303675 0.71642492696325 0.00000000000000 15.999 > 10 11 O 0.31424226060094 0.68575773939906 0.64964279629052 15.999 > 11 12 O 0.31424226060094 0.68575773939906 0.35035720370948 15.999 > 12 13 O 0.68575773939906 0.31424226060094 0.64964279629052 15.999 > 13 14 O 0.68575773939906 0.31424226060094 0.35035720370948 15.999 > 14 15 O 0.71642492696325 0.28357507303675 0.00000000000000 15.999 > 15 16 O 0.21642492696325 0.21642492696325 0.50000000000000 15.999 > 16 17 O 0.18575773939906 0.18575773939906 0.85035720370948 15.999 > 17 18 O 0.18575773939906 0.18575773939906 0.14964279629052 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.704200260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.704200260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.66547823176837 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.66547823176837 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.66547823176837 174.967 > 1 5 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 > 2 6 Lu 0.50000000000000 0.00000000000000 0.33452176823163 174.967 > 2 7 Lu 0.00000000000000 0.50000000000000 0.33452176823163 174.967 > 2 8 Lu 0.50000000000000 0.50000000000000 0.33452176823163 174.967 > 2 9 Lu 0.25000000000000 0.25000000000000 0.83452176823163 174.967 > 3 10 Lu 0.75000000000000 0.25000000000000 0.83452176823163 174.967 > 3 11 Lu 0.25000000000000 0.75000000000000 0.83452176823163 174.967 > 3 12 Lu 0.75000000000000 0.75000000000000 0.83452176823163 174.967 > 3 13 Lu 0.25000000000000 0.25000000000000 0.16547823176837 174.967 > 4 14 Lu 0.75000000000000 0.25000000000000 0.16547823176837 174.967 > 4 15 Lu 0.25000000000000 0.75000000000000 0.16547823176837 174.967 > 4 16 Lu 0.75000000000000 0.75000000000000 0.16547823176837 174.967 > 4 *17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 5 18 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 5 19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 5 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 5 21 Te 0.25000000000000 0.25000000000000 0.50000000000000 127.600 > 6 22 Te 0.75000000000000 0.25000000000000 0.50000000000000 127.600 > 6 23 Te 0.25000000000000 0.75000000000000 0.50000000000000 127.600 > 6 24 Te 0.75000000000000 0.75000000000000 0.50000000000000 127.600 > 6 *25 O 0.40712113030047 0.40712113030047 0.85035720370948 15.999 > 7 26 O 0.90712113030047 0.40712113030047 0.85035720370948 15.999 > 7 27 O 0.40712113030047 0.90712113030047 0.85035720370948 15.999 > 7 28 O 0.90712113030047 0.90712113030047 0.85035720370948 15.999 > 7 29 O 0.40712113030047 0.40712113030047 0.14964279629052 15.999 > 8 30 O 0.90712113030047 0.40712113030047 0.14964279629052 15.999 > 8 31 O 0.40712113030047 0.90712113030047 0.14964279629052 15.999 > 8 32 O 0.90712113030047 0.90712113030047 0.14964279629052 15.999 > 8 *33 O 0.39178753651838 0.39178753651838 0.50000000000000 15.999 > 9 34 O 0.89178753651837 0.39178753651838 0.50000000000000 15.999 > 9 35 O 0.39178753651838 0.89178753651837 0.50000000000000 15.999 > 9 36 O 0.89178753651837 0.89178753651837 0.50000000000000 15.999 > 9 37 O 0.14178753651838 0.35821246348162 0.00000000000000 15.999 > 10 38 O 0.64178753651837 0.35821246348162 0.00000000000000 15.999 > 10 39 O 0.14178753651838 0.85821246348163 0.00000000000000 15.999 > 10 40 O 0.64178753651837 0.85821246348163 0.00000000000000 15.999 > 10 41 O 0.15712113030047 0.34287886969953 0.64964279629052 15.999 > 11 42 O 0.65712113030047 0.34287886969953 0.64964279629052 15.999 > 11 43 O 0.15712113030047 0.84287886969953 0.64964279629052 15.999 > 11 44 O 0.65712113030047 0.84287886969953 0.64964279629052 15.999 > 11 45 O 0.15712113030047 0.34287886969953 0.35035720370948 15.999 > 12 46 O 0.65712113030047 0.34287886969953 0.35035720370948 15.999 > 12 47 O 0.15712113030047 0.84287886969953 0.35035720370948 15.999 > 12 48 O 0.65712113030047 0.84287886969953 0.35035720370948 15.999 > 12 49 O 0.34287886969953 0.15712113030047 0.64964279629052 15.999 > 13 50 O 0.84287886969953 0.15712113030047 0.64964279629052 15.999 > 13 51 O 0.34287886969953 0.65712113030047 0.64964279629052 15.999 > 13 52 O 0.84287886969953 0.65712113030047 0.64964279629052 15.999 > 13 53 O 0.34287886969953 0.15712113030047 0.35035720370948 15.999 > 14 54 O 0.84287886969953 0.15712113030047 0.35035720370948 15.999 > 14 55 O 0.34287886969953 0.65712113030047 0.35035720370948 15.999 > 14 56 O 0.84287886969953 0.65712113030047 0.35035720370948 15.999 > 14 57 O 0.35821246348162 0.14178753651838 0.00000000000000 15.999 > 15 58 O 0.85821246348163 0.14178753651838 0.00000000000000 15.999 > 15 59 O 0.35821246348162 0.64178753651837 0.00000000000000 15.999 > 15 60 O 0.85821246348163 0.64178753651837 0.00000000000000 15.999 > 15 61 O 0.10821246348163 0.10821246348163 0.50000000000000 15.999 > 16 62 O 0.60821246348163 0.10821246348163 0.50000000000000 15.999 > 16 63 O 0.10821246348163 0.60821246348163 0.50000000000000 15.999 > 16 64 O 0.60821246348163 0.60821246348163 0.50000000000000 15.999 > 16 65 O 0.09287886969953 0.09287886969953 0.85035720370948 15.999 > 17 66 O 0.59287886969953 0.09287886969953 0.85035720370948 15.999 > 17 67 O 0.09287886969953 0.59287886969953 0.85035720370948 15.999 > 17 68 O 0.59287886969953 0.59287886969953 0.85035720370948 15.999 > 17 69 O 0.09287886969953 0.09287886969953 0.14964279629052 15.999 > 18 70 O 0.59287886969953 0.09287886969953 0.14964279629052 15.999 > 18 71 O 0.09287886969953 0.59287886969953 0.14964279629052 15.999 > 18 72 O 0.59287886969953 0.59287886969953 0.14964279629052 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8932293 0.0000000 0.0000000 0.0000000 3.8932293 0.0000000 0.0000000 0.0000000 4.2784499 -------------------------- Born effective charges -------------------------- 1 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 2 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 3 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 4 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 5 Te 5.1579834 -0.4899132 0.0000000 -0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 6 Te 5.1579834 0.4899132 0.0000000 0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 7 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 8 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 9 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 10 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 11 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 12 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 13 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 14 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 15 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 16 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 17 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 18 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 434 Number of blocks in projector: 434 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 113 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (434, 420), data: False |-- (81, 77), data: True |-- (104, 100), data: True |-- (113, 109), data: True |-- (136, 134), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.251 Solver_block: 160 / 160 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.438 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 434 Number of blocks in projector: 434 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 113 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (434, 420), data: False |-- (81, 77), data: True |-- (104, 100), data: True |-- (113, 109), data: True |-- (136, 134), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:56:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.852100130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.852100130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 2 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 3 Lu 0.50000000000000 0.50000000000000 0.83452176823163 174.967 4 Lu 0.50000000000000 0.50000000000000 0.16547823176837 174.967 5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 7 O 0.81424226060094 0.81424226060094 0.85035720370948 15.999 8 O 0.81424226060094 0.81424226060094 0.14964279629052 15.999 9 O 0.78357507303675 0.78357507303675 0.50000000000000 15.999 10 O 0.28357507303675 0.71642492696325 0.00000000000000 15.999 11 O 0.31424226060094 0.68575773939906 0.64964279629052 15.999 12 O 0.31424226060094 0.68575773939906 0.35035720370948 15.999 13 O 0.68575773939906 0.31424226060094 0.64964279629052 15.999 14 O 0.68575773939906 0.31424226060094 0.35035720370948 15.999 15 O 0.71642492696325 0.28357507303675 0.00000000000000 15.999 16 O 0.21642492696325 0.21642492696325 0.50000000000000 15.999 17 O 0.18575773939906 0.18575773939906 0.85035720370948 15.999 18 O 0.18575773939906 0.18575773939906 0.14964279629052 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.704200260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.704200260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.66547823176837 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.66547823176837 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.66547823176837 174.967 > 1 5 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 > 5 6 Lu 0.50000000000000 0.00000000000000 0.33452176823163 174.967 > 5 7 Lu 0.00000000000000 0.50000000000000 0.33452176823163 174.967 > 5 8 Lu 0.50000000000000 0.50000000000000 0.33452176823163 174.967 > 5 9 Lu 0.25000000000000 0.25000000000000 0.83452176823163 174.967 > 9 10 Lu 0.75000000000000 0.25000000000000 0.83452176823163 174.967 > 9 11 Lu 0.25000000000000 0.75000000000000 0.83452176823163 174.967 > 9 12 Lu 0.75000000000000 0.75000000000000 0.83452176823163 174.967 > 9 13 Lu 0.25000000000000 0.25000000000000 0.16547823176837 174.967 > 13 14 Lu 0.75000000000000 0.25000000000000 0.16547823176837 174.967 > 13 15 Lu 0.25000000000000 0.75000000000000 0.16547823176837 174.967 > 13 16 Lu 0.75000000000000 0.75000000000000 0.16547823176837 174.967 > 13 17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 17 18 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 17 19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 17 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 17 21 Te 0.25000000000000 0.25000000000000 0.50000000000000 127.600 > 21 22 Te 0.75000000000000 0.25000000000000 0.50000000000000 127.600 > 21 23 Te 0.25000000000000 0.75000000000000 0.50000000000000 127.600 > 21 24 Te 0.75000000000000 0.75000000000000 0.50000000000000 127.600 > 21 25 O 0.40712113030047 0.40712113030047 0.85035720370948 15.999 > 25 26 O 0.90712113030047 0.40712113030047 0.85035720370948 15.999 > 25 27 O 0.40712113030047 0.90712113030047 0.85035720370948 15.999 > 25 28 O 0.90712113030047 0.90712113030047 0.85035720370948 15.999 > 25 29 O 0.40712113030047 0.40712113030047 0.14964279629052 15.999 > 29 30 O 0.90712113030047 0.40712113030047 0.14964279629052 15.999 > 29 31 O 0.40712113030047 0.90712113030047 0.14964279629052 15.999 > 29 32 O 0.90712113030047 0.90712113030047 0.14964279629052 15.999 > 29 33 O 0.39178753651838 0.39178753651838 0.50000000000000 15.999 > 33 34 O 0.89178753651837 0.39178753651838 0.50000000000000 15.999 > 33 35 O 0.39178753651838 0.89178753651837 0.50000000000000 15.999 > 33 36 O 0.89178753651837 0.89178753651837 0.50000000000000 15.999 > 33 37 O 0.14178753651838 0.35821246348162 0.00000000000000 15.999 > 37 38 O 0.64178753651837 0.35821246348162 0.00000000000000 15.999 > 37 39 O 0.14178753651838 0.85821246348163 0.00000000000000 15.999 > 37 40 O 0.64178753651837 0.85821246348163 0.00000000000000 15.999 > 37 41 O 0.15712113030047 0.34287886969953 0.64964279629052 15.999 > 41 42 O 0.65712113030047 0.34287886969953 0.64964279629052 15.999 > 41 43 O 0.15712113030047 0.84287886969953 0.64964279629052 15.999 > 41 44 O 0.65712113030047 0.84287886969953 0.64964279629052 15.999 > 41 45 O 0.15712113030047 0.34287886969953 0.35035720370948 15.999 > 45 46 O 0.65712113030047 0.34287886969953 0.35035720370948 15.999 > 45 47 O 0.15712113030047 0.84287886969953 0.35035720370948 15.999 > 45 48 O 0.65712113030047 0.84287886969953 0.35035720370948 15.999 > 45 49 O 0.34287886969953 0.15712113030047 0.64964279629052 15.999 > 49 50 O 0.84287886969953 0.15712113030047 0.64964279629052 15.999 > 49 51 O 0.34287886969953 0.65712113030047 0.64964279629052 15.999 > 49 52 O 0.84287886969953 0.65712113030047 0.64964279629052 15.999 > 49 53 O 0.34287886969953 0.15712113030047 0.35035720370948 15.999 > 53 54 O 0.84287886969953 0.15712113030047 0.35035720370948 15.999 > 53 55 O 0.34287886969953 0.65712113030047 0.35035720370948 15.999 > 53 56 O 0.84287886969953 0.65712113030047 0.35035720370948 15.999 > 53 57 O 0.35821246348162 0.14178753651838 0.00000000000000 15.999 > 57 58 O 0.85821246348163 0.14178753651838 0.00000000000000 15.999 > 57 59 O 0.35821246348162 0.64178753651837 0.00000000000000 15.999 > 57 60 O 0.85821246348163 0.64178753651837 0.00000000000000 15.999 > 57 61 O 0.10821246348163 0.10821246348163 0.50000000000000 15.999 > 61 62 O 0.60821246348163 0.10821246348163 0.50000000000000 15.999 > 61 63 O 0.10821246348163 0.60821246348163 0.50000000000000 15.999 > 61 64 O 0.60821246348163 0.60821246348163 0.50000000000000 15.999 > 61 65 O 0.09287886969953 0.09287886969953 0.85035720370948 15.999 > 65 66 O 0.59287886969953 0.09287886969953 0.85035720370948 15.999 > 65 67 O 0.09287886969953 0.59287886969953 0.85035720370948 15.999 > 65 68 O 0.59287886969953 0.59287886969953 0.85035720370948 15.999 > 65 69 O 0.09287886969953 0.09287886969953 0.14964279629052 15.999 > 69 70 O 0.59287886969953 0.09287886969953 0.14964279629052 15.999 > 69 71 O 0.09287886969953 0.59287886969953 0.14964279629052 15.999 > 69 72 O 0.59287886969953 0.59287886969953 0.14964279629052 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8932293 0.0000000 0.0000000 0.0000000 3.8932293 0.0000000 0.0000000 0.0000000 4.2784499 -------------------------- Born effective charges -------------------------- 1 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 2 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 3 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 4 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 5 Te 5.1579834 -0.4899132 0.0000000 -0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 6 Te 5.1579834 0.4899132 0.0000000 0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 7 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 8 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 9 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 10 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 11 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 12 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 13 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 14 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 15 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 16 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 17 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 18 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000013 (yyy) -0.00000013 (yyy) -0.00000013 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:56:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:15]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.852100130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.852100130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 2 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 3 Lu 0.50000000000000 0.50000000000000 0.83452176823163 174.967 4 Lu 0.50000000000000 0.50000000000000 0.16547823176837 174.967 5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 7 O 0.81424226060094 0.81424226060094 0.85035720370948 15.999 8 O 0.81424226060094 0.81424226060094 0.14964279629052 15.999 9 O 0.78357507303675 0.78357507303675 0.50000000000000 15.999 10 O 0.28357507303675 0.71642492696325 0.00000000000000 15.999 11 O 0.31424226060094 0.68575773939906 0.64964279629052 15.999 12 O 0.31424226060094 0.68575773939906 0.35035720370948 15.999 13 O 0.68575773939906 0.31424226060094 0.64964279629052 15.999 14 O 0.68575773939906 0.31424226060094 0.35035720370948 15.999 15 O 0.71642492696325 0.28357507303675 0.00000000000000 15.999 16 O 0.21642492696325 0.21642492696325 0.50000000000000 15.999 17 O 0.18575773939906 0.18575773939906 0.85035720370948 15.999 18 O 0.18575773939906 0.18575773939906 0.14964279629052 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.704200260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.704200260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775518790000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.66547823176837 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.66547823176837 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.66547823176837 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.66547823176837 174.967 > 1 5 Lu 0.00000000000000 0.00000000000000 0.33452176823163 174.967 > 5 6 Lu 0.50000000000000 0.00000000000000 0.33452176823163 174.967 > 5 7 Lu 0.00000000000000 0.50000000000000 0.33452176823163 174.967 > 5 8 Lu 0.50000000000000 0.50000000000000 0.33452176823163 174.967 > 5 9 Lu 0.25000000000000 0.25000000000000 0.83452176823163 174.967 > 9 10 Lu 0.75000000000000 0.25000000000000 0.83452176823163 174.967 > 9 11 Lu 0.25000000000000 0.75000000000000 0.83452176823163 174.967 > 9 12 Lu 0.75000000000000 0.75000000000000 0.83452176823163 174.967 > 9 13 Lu 0.25000000000000 0.25000000000000 0.16547823176837 174.967 > 13 14 Lu 0.75000000000000 0.25000000000000 0.16547823176837 174.967 > 13 15 Lu 0.25000000000000 0.75000000000000 0.16547823176837 174.967 > 13 16 Lu 0.75000000000000 0.75000000000000 0.16547823176837 174.967 > 13 17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 17 18 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 17 19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 17 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 17 21 Te 0.25000000000000 0.25000000000000 0.50000000000000 127.600 > 21 22 Te 0.75000000000000 0.25000000000000 0.50000000000000 127.600 > 21 23 Te 0.25000000000000 0.75000000000000 0.50000000000000 127.600 > 21 24 Te 0.75000000000000 0.75000000000000 0.50000000000000 127.600 > 21 25 O 0.40712113030047 0.40712113030047 0.85035720370948 15.999 > 25 26 O 0.90712113030047 0.40712113030047 0.85035720370948 15.999 > 25 27 O 0.40712113030047 0.90712113030047 0.85035720370948 15.999 > 25 28 O 0.90712113030047 0.90712113030047 0.85035720370948 15.999 > 25 29 O 0.40712113030047 0.40712113030047 0.14964279629052 15.999 > 29 30 O 0.90712113030047 0.40712113030047 0.14964279629052 15.999 > 29 31 O 0.40712113030047 0.90712113030047 0.14964279629052 15.999 > 29 32 O 0.90712113030047 0.90712113030047 0.14964279629052 15.999 > 29 33 O 0.39178753651838 0.39178753651838 0.50000000000000 15.999 > 33 34 O 0.89178753651837 0.39178753651838 0.50000000000000 15.999 > 33 35 O 0.39178753651838 0.89178753651837 0.50000000000000 15.999 > 33 36 O 0.89178753651837 0.89178753651837 0.50000000000000 15.999 > 33 37 O 0.14178753651838 0.35821246348162 0.00000000000000 15.999 > 37 38 O 0.64178753651837 0.35821246348162 0.00000000000000 15.999 > 37 39 O 0.14178753651838 0.85821246348163 0.00000000000000 15.999 > 37 40 O 0.64178753651837 0.85821246348163 0.00000000000000 15.999 > 37 41 O 0.15712113030047 0.34287886969953 0.64964279629052 15.999 > 41 42 O 0.65712113030047 0.34287886969953 0.64964279629052 15.999 > 41 43 O 0.15712113030047 0.84287886969953 0.64964279629052 15.999 > 41 44 O 0.65712113030047 0.84287886969953 0.64964279629052 15.999 > 41 45 O 0.15712113030047 0.34287886969953 0.35035720370948 15.999 > 45 46 O 0.65712113030047 0.34287886969953 0.35035720370948 15.999 > 45 47 O 0.15712113030047 0.84287886969953 0.35035720370948 15.999 > 45 48 O 0.65712113030047 0.84287886969953 0.35035720370948 15.999 > 45 49 O 0.34287886969953 0.15712113030047 0.64964279629052 15.999 > 49 50 O 0.84287886969953 0.15712113030047 0.64964279629052 15.999 > 49 51 O 0.34287886969953 0.65712113030047 0.64964279629052 15.999 > 49 52 O 0.84287886969953 0.65712113030047 0.64964279629052 15.999 > 49 53 O 0.34287886969953 0.15712113030047 0.35035720370948 15.999 > 53 54 O 0.84287886969953 0.15712113030047 0.35035720370948 15.999 > 53 55 O 0.34287886969953 0.65712113030047 0.35035720370948 15.999 > 53 56 O 0.84287886969953 0.65712113030047 0.35035720370948 15.999 > 53 57 O 0.35821246348162 0.14178753651838 0.00000000000000 15.999 > 57 58 O 0.85821246348163 0.14178753651838 0.00000000000000 15.999 > 57 59 O 0.35821246348162 0.64178753651837 0.00000000000000 15.999 > 57 60 O 0.85821246348163 0.64178753651837 0.00000000000000 15.999 > 57 61 O 0.10821246348163 0.10821246348163 0.50000000000000 15.999 > 61 62 O 0.60821246348163 0.10821246348163 0.50000000000000 15.999 > 61 63 O 0.10821246348163 0.60821246348163 0.50000000000000 15.999 > 61 64 O 0.60821246348163 0.60821246348163 0.50000000000000 15.999 > 61 65 O 0.09287886969953 0.09287886969953 0.85035720370948 15.999 > 65 66 O 0.59287886969953 0.09287886969953 0.85035720370948 15.999 > 65 67 O 0.09287886969953 0.59287886969953 0.85035720370948 15.999 > 65 68 O 0.59287886969953 0.59287886969953 0.85035720370948 15.999 > 65 69 O 0.09287886969953 0.09287886969953 0.14964279629052 15.999 > 69 70 O 0.59287886969953 0.09287886969953 0.14964279629052 15.999 > 69 71 O 0.09287886969953 0.59287886969953 0.14964279629052 15.999 > 69 72 O 0.59287886969953 0.59287886969953 0.14964279629052 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8932293 0.0000000 0.0000000 0.0000000 3.8932293 0.0000000 0.0000000 0.0000000 4.2784499 -------------------------- Born effective charges -------------------------- 1 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 2 Lu 3.8377979 -0.3477616 0.0000000 -0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 3 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 4 Lu 3.8377979 0.3477616 0.0000000 0.3477616 3.8377979 0.0000000 0.0000000 0.0000000 4.2868590 5 Te 5.1579834 -0.4899132 0.0000000 -0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 6 Te 5.1579834 0.4899132 0.0000000 0.4899132 5.1579834 0.0000000 0.0000000 0.0000000 5.4447714 7 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 8 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 9 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 10 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 11 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 12 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 13 O -2.0934820 0.7560311 -0.1612520 0.7560311 -2.0934820 0.1612520 -0.1303683 0.1303683 -2.4567838 14 O -2.0934820 0.7560311 0.1612520 0.7560311 -2.0934820 -0.1612520 0.1303683 -0.1303683 -2.4567838 15 O -2.2298255 0.9774302 0.0000000 0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 16 O -2.2298255 -0.9774302 0.0000000 -0.9774302 -2.2298255 0.0000000 0.0000000 0.0000000 -2.0956772 17 O -2.0934820 -0.7560311 0.1612520 -0.7560311 -2.0934820 0.1612520 0.1303683 0.1303683 -2.4567838 18 O -2.0934820 -0.7560311 -0.1612520 -0.7560311 -2.0934820 -0.1612520 -0.1303683 -0.1303683 -2.4567838 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (yyy) -0.00000013 (yyy) -0.00000013 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 11.346 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.159 ( 0.000 0.000 0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 18.315 ( 0.000 0.000 0.000) 0.000 18.546 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 0.000) 0.000 21.110 ( 0.000 0.000 0.000) 0.000 22.062 ( 0.000 0.000 0.000) 0.000 22.135 ( 0.000 0.000 0.000) 0.000 22.604 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 29.674 0.000 0.000) 29.674 0.910 ( 43.033 0.000 0.000) 43.033 1.082 ( 51.450 0.000 0.000) 51.450 1.957 ( 5.759 0.000 0.000) 5.759 1.957 ( 6.003 0.000 0.000) 6.003 2.727 ( 3.607 0.000 0.000) 3.607 2.783 ( 8.030 0.000 0.000) 8.030 3.176 ( 14.328 0.000 0.000) 14.328 3.310 ( -3.415 0.000 0.000) 3.415 4.045 ( -4.840 0.000 0.000) 4.840 4.058 ( -3.537 0.000 0.000) 3.537 4.177 ( 7.020 0.000 0.000) 7.020 4.609 ( 0.717 0.000 0.000) 0.717 5.145 ( -11.915 0.000 0.000) 11.915 5.497 ( 3.895 0.000 0.000) 3.895 5.638 ( 3.631 0.000 0.000) 3.631 6.408 ( -2.210 0.000 0.000) 2.210 6.623 ( 2.286 0.000 0.000) 2.286 6.771 ( 2.876 0.000 0.000) 2.876 6.855 ( -2.488 0.000 0.000) 2.488 7.043 ( -1.660 0.000 0.000) 1.660 7.058 ( -0.518 0.000 0.000) 0.518 7.372 ( -3.549 0.000 0.000) 3.549 8.395 ( -8.384 0.000 0.000) 8.384 8.932 ( 0.348 0.000 0.000) 0.348 9.165 ( -1.805 0.000 0.000) 1.805 9.813 ( 1.061 0.000 0.000) 1.061 10.791 ( 0.327 0.000 0.000) 0.327 11.301 ( -4.319 0.000 0.000) 4.319 11.371 ( -2.787 0.000 0.000) 2.787 11.376 ( -2.287 0.000 0.000) 2.287 11.580 ( -6.002 0.000 0.000) 6.002 12.280 ( -0.891 0.000 0.000) 0.891 12.286 ( -0.333 0.000 0.000) 0.333 12.584 ( 5.158 0.000 0.000) 5.158 12.941 ( 0.632 0.000 0.000) 0.632 13.228 ( 6.455 0.000 0.000) 6.455 14.341 ( -3.391 0.000 0.000) 3.391 15.011 ( -4.168 0.000 0.000) 4.168 15.134 ( -2.342 0.000 0.000) 2.342 16.388 ( -18.046 0.000 0.000) 18.046 16.739 ( -24.792 0.000 0.000) 24.792 17.423 ( 16.746 0.000 0.000) 16.746 17.585 ( 25.475 0.000 0.000) 25.475 17.839 ( 1.284 0.000 0.000) 1.284 17.924 ( -3.595 0.000 0.000) 3.595 18.227 ( -3.755 0.000 0.000) 3.755 18.384 ( 5.762 0.000 0.000) 5.762 19.153 ( 30.634 0.000 0.000) 30.634 21.066 ( -4.359 0.000 0.000) 4.359 22.029 ( -10.138 0.000 0.000) 10.138 22.033 ( -2.765 0.000 0.000) 2.765 22.344 ( -0.709 0.000 0.000) 0.709 22.587 ( -1.616 0.000 0.000) 1.616 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 27.069 0.000 0.000) 27.069 1.751 ( 38.070 0.000 0.000) 38.070 2.094 ( 45.821 0.000 0.000) 45.821 2.107 ( 8.206 0.000 0.000) 8.206 2.128 ( 10.135 0.000 0.000) 10.135 2.867 ( 10.578 0.000 0.000) 10.578 3.025 ( 15.335 0.000 0.000) 15.335 3.206 ( -6.625 0.000 0.000) 6.625 3.558 ( 21.232 0.000 0.000) 21.232 3.906 ( -8.353 0.000 0.000) 8.353 3.959 ( -5.870 0.000 0.000) 5.870 4.345 ( 7.566 0.000 0.000) 7.566 4.630 ( 1.850 0.000 0.000) 1.850 4.868 ( -14.637 0.000 0.000) 14.637 5.529 ( -1.060 0.000 0.000) 1.060 5.746 ( 6.616 0.000 0.000) 6.616 6.319 ( -6.761 0.000 0.000) 6.761 6.683 ( 3.252 0.000 0.000) 3.252 6.780 ( -4.745 0.000 0.000) 4.745 6.835 ( 2.341 0.000 0.000) 2.341 7.007 ( -1.107 0.000 0.000) 1.107 7.022 ( -3.450 0.000 0.000) 3.450 7.302 ( -2.182 0.000 0.000) 2.182 8.157 ( -14.163 0.000 0.000) 14.163 8.941 ( 0.427 0.000 0.000) 0.427 9.110 ( -3.487 0.000 0.000) 3.487 9.855 ( 3.311 0.000 0.000) 3.311 10.802 ( 0.694 0.000 0.000) 0.694 11.171 ( -8.211 0.000 0.000) 8.211 11.303 ( -3.353 0.000 0.000) 3.353 11.324 ( -2.355 0.000 0.000) 2.355 11.423 ( -8.688 0.000 0.000) 8.688 12.254 ( -1.605 0.000 0.000) 1.605 12.274 ( -0.846 0.000 0.000) 0.846 12.709 ( 6.259 0.000 0.000) 6.259 12.956 ( 0.689 0.000 0.000) 0.689 13.392 ( 8.797 0.000 0.000) 8.797 14.246 ( -5.511 0.000 0.000) 5.511 14.928 ( -2.968 0.000 0.000) 2.968 15.071 ( -3.458 0.000 0.000) 3.458 16.024 ( -16.769 0.000 0.000) 16.769 16.164 ( -28.412 0.000 0.000) 28.412 17.791 ( -3.300 0.000 0.000) 3.300 17.850 ( -3.313 0.000 0.000) 3.313 17.893 ( 27.845 0.000 0.000) 27.845 18.162 ( 29.447 0.000 0.000) 29.447 18.349 ( 10.993 0.000 0.000) 10.993 18.520 ( 6.951 0.000 0.000) 6.951 19.763 ( 28.033 0.000 0.000) 28.033 20.929 ( -8.949 0.000 0.000) 8.949 21.727 ( -18.843 0.000 0.000) 18.843 21.944 ( -6.026 0.000 0.000) 6.026 22.325 ( -0.988 0.000 0.000) 0.988 22.540 ( -2.931 0.000 0.000) 2.931 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 22.801 0.000 0.000) 22.801 2.278 ( 8.097 0.000 0.000) 8.097 2.355 ( 11.304 0.000 0.000) 11.304 2.458 ( 30.277 0.000 0.000) 30.277 2.910 ( 31.380 0.000 0.000) 31.380 3.039 ( -9.437 0.000 0.000) 9.437 3.171 ( 18.584 0.000 0.000) 18.584 3.424 ( 23.670 0.000 0.000) 23.670 3.719 ( -9.204 0.000 0.000) 9.204 3.824 ( -7.109 0.000 0.000) 7.109 3.986 ( 18.035 0.000 0.000) 18.035 4.400 ( -2.818 0.000 0.000) 2.818 4.568 ( -12.747 0.000 0.000) 12.747 4.735 ( 8.342 0.000 0.000) 8.342 5.450 ( -6.432 0.000 0.000) 6.432 5.865 ( 1.218 0.000 0.000) 1.218 6.149 ( -6.630 0.000 0.000) 6.630 6.666 ( -6.158 0.000 0.000) 6.158 6.743 ( 2.087 0.000 0.000) 2.087 6.827 ( -2.755 0.000 0.000) 2.755 6.932 ( -3.922 0.000 0.000) 3.922 7.028 ( 2.592 0.000 0.000) 2.592 7.296 ( 1.199 0.000 0.000) 1.199 7.843 ( -15.439 0.000 0.000) 15.439 8.942 ( -0.442 0.000 0.000) 0.442 9.028 ( -4.230 0.000 0.000) 4.230 9.960 ( 7.084 0.000 0.000) 7.084 10.812 ( -0.543 0.000 0.000) 0.543 10.977 ( -9.482 0.000 0.000) 9.482 11.241 ( -8.567 0.000 0.000) 8.567 11.248 ( -1.778 0.000 0.000) 1.778 11.285 ( -1.430 0.000 0.000) 1.430 12.218 ( -1.721 0.000 0.000) 1.721 12.249 ( -1.590 0.000 0.000) 1.590 12.823 ( 4.585 0.000 0.000) 4.585 12.966 ( 0.153 0.000 0.000) 0.153 13.571 ( 8.235 0.000 0.000) 8.235 14.124 ( -6.217 0.000 0.000) 6.217 14.913 ( 1.819 0.000 0.000) 1.819 15.006 ( -2.436 0.000 0.000) 2.436 15.634 ( -22.227 0.000 0.000) 22.227 15.701 ( -14.606 0.000 0.000) 14.606 17.745 ( -1.229 0.000 0.000) 1.229 17.793 ( -2.172 0.000 0.000) 2.172 18.534 ( 33.597 0.000 0.000) 33.597 18.578 ( 10.188 0.000 0.000) 10.188 18.656 ( 6.060 0.000 0.000) 6.060 18.774 ( 29.467 0.000 0.000) 29.467 20.302 ( 24.343 0.000 0.000) 24.343 20.695 ( -13.779 0.000 0.000) 13.779 21.266 ( -25.627 0.000 0.000) 25.627 21.779 ( -10.091 0.000 0.000) 10.091 22.309 ( -0.449 0.000 0.000) 0.449 22.471 ( -3.569 0.000 0.000) 3.569 ======================= Grid point 4 (5/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 17.686 0.000 0.000) 17.686 2.429 ( 5.999 0.000 0.000) 5.999 2.559 ( 7.461 0.000 0.000) 7.461 2.825 ( -10.948 0.000 0.000) 10.948 3.005 ( 23.151 0.000 0.000) 23.151 3.367 ( 13.564 0.000 0.000) 13.564 3.562 ( -4.963 0.000 0.000) 4.963 3.583 ( 19.293 0.000 0.000) 19.293 3.672 ( -7.328 0.000 0.000) 7.328 3.902 ( 17.528 0.000 0.000) 17.528 4.071 ( -9.692 0.000 0.000) 9.692 4.274 ( -8.239 0.000 0.000) 8.239 4.603 ( 18.635 0.000 0.000) 18.635 4.917 ( 8.330 0.000 0.000) 8.330 5.283 ( -8.960 0.000 0.000) 8.960 5.626 ( -20.562 0.000 0.000) 20.562 6.203 ( 8.038 0.000 0.000) 8.038 6.530 ( -6.993 0.000 0.000) 6.993 6.744 ( -1.568 0.000 0.000) 1.568 6.762 ( -2.867 0.000 0.000) 2.867 6.920 ( 2.919 0.000 0.000) 2.919 7.063 ( -0.137 0.000 0.000) 0.137 7.335 ( 2.396 0.000 0.000) 2.396 7.559 ( -11.207 0.000 0.000) 11.207 8.924 ( -1.093 0.000 0.000) 1.093 8.949 ( -3.029 0.000 0.000) 3.029 10.148 ( 10.923 0.000 0.000) 10.923 10.668 ( -12.315 0.000 0.000) 12.315 10.904 ( 1.616 0.000 0.000) 1.616 11.082 ( -6.713 0.000 0.000) 6.713 11.232 ( 0.085 0.000 0.000) 0.085 11.262 ( -0.935 0.000 0.000) 0.935 12.190 ( -0.867 0.000 0.000) 0.867 12.213 ( -1.707 0.000 0.000) 1.707 12.897 ( 2.679 0.000 0.000) 2.679 12.961 ( -0.646 0.000 0.000) 0.646 13.728 ( 7.057 0.000 0.000) 7.057 13.995 ( -6.255 0.000 0.000) 6.255 14.987 ( 0.918 0.000 0.000) 0.918 15.004 ( 6.786 0.000 0.000) 6.786 15.263 ( -13.771 0.000 0.000) 13.771 15.421 ( -12.652 0.000 0.000) 12.652 17.734 ( 0.000 0.000 0.000) 0.000 17.759 ( -1.223 0.000 0.000) 1.223 18.742 ( 5.419 0.000 0.000) 5.419 18.760 ( 3.724 0.000 0.000) 3.724 19.247 ( 34.813 0.000 0.000) 34.813 19.359 ( 26.845 0.000 0.000) 26.845 20.363 ( -18.177 0.000 0.000) 18.177 20.685 ( -30.348 0.000 0.000) 30.348 20.773 ( 21.450 0.000 0.000) 21.450 21.526 ( -14.504 0.000 0.000) 14.504 22.311 ( 0.763 0.000 0.000) 0.763 22.399 ( -3.272 0.000 0.000) 3.272 ======================= Grid point 5 (6/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -8.557 0.000 0.000) 8.557 2.437 ( 8.557 0.000 0.000) 8.557 2.651 ( -3.731 0.000 0.000) 3.731 2.651 ( 3.731 0.000 0.000) 3.731 3.393 ( -12.102 0.000 0.000) 12.102 3.393 ( 12.102 0.000 0.000) 12.102 3.548 ( -3.622 0.000 0.000) 3.622 3.548 ( 3.622 0.000 0.000) 3.622 3.875 ( -8.198 0.000 0.000) 8.198 3.875 ( 8.198 0.000 0.000) 8.198 4.114 ( -6.069 0.000 0.000) 6.069 4.114 ( 6.069 0.000 0.000) 6.069 5.029 ( -6.602 0.000 0.000) 6.602 5.029 ( 6.602 0.000 0.000) 6.602 5.179 ( -11.791 0.000 0.000) 11.791 5.179 ( 11.791 0.000 0.000) 11.791 6.375 ( -8.088 0.000 0.000) 8.088 6.375 ( 8.088 0.000 0.000) 8.088 6.726 ( -0.397 0.000 0.000) 0.397 6.726 ( 0.397 0.000 0.000) 0.397 7.009 ( -4.548 0.000 0.000) 4.548 7.009 ( 4.548 0.000 0.000) 4.548 7.400 ( -4.562 0.000 0.000) 4.562 7.400 ( 4.562 0.000 0.000) 4.562 8.913 ( -0.419 0.000 0.000) 0.419 8.913 ( 0.419 0.000 0.000) 0.419 10.399 ( -13.091 0.000 0.000) 13.091 10.399 ( 13.091 0.000 0.000) 13.091 10.968 ( -4.326 0.000 0.000) 4.326 10.968 ( 4.326 0.000 0.000) 4.326 11.244 ( -0.851 0.000 0.000) 0.851 11.244 ( 0.851 0.000 0.000) 0.851 12.187 ( -0.649 0.000 0.000) 0.649 12.187 ( 0.649 0.000 0.000) 0.649 12.939 ( -1.499 0.000 0.000) 1.499 12.939 ( 1.499 0.000 0.000) 1.499 13.865 ( -6.384 0.000 0.000) 6.384 13.865 ( 6.384 0.000 0.000) 6.384 15.058 ( -6.377 0.000 0.000) 6.377 15.058 ( 6.377 0.000 0.000) 6.377 15.183 ( -10.317 0.000 0.000) 10.317 15.183 ( 10.317 0.000 0.000) 10.317 17.740 ( -0.605 0.000 0.000) 0.605 17.740 ( 0.605 0.000 0.000) 0.605 18.799 ( -0.194 0.000 0.000) 0.194 18.799 ( 0.194 0.000 0.000) 0.194 19.802 ( -3.474 0.000 0.000) 3.474 19.802 ( 3.474 0.000 0.000) 3.474 20.093 ( -14.196 0.000 0.000) 14.196 20.093 ( 14.196 0.000 0.000) 14.196 21.185 ( -18.417 0.000 0.000) 18.417 21.185 ( 18.417 0.000 0.000) 18.417 22.342 ( -2.180 0.000 0.000) 2.180 22.342 ( 2.180 0.000 0.000) 2.180 ======================= Grid point 12 (7/63) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 15.834 15.834 0.000) 22.392 0.866 ( 19.834 19.834 0.000) 28.049 1.809 ( 40.293 40.293 0.000) 56.983 1.841 ( -2.648 -2.648 0.000) 3.745 2.163 ( 11.054 11.054 0.000) 15.633 2.736 ( 2.145 2.145 0.000) 3.033 2.884 ( 9.167 9.167 0.000) 12.964 3.275 ( -3.325 -3.325 0.000) 4.702 3.323 ( 13.653 13.653 0.000) 19.309 3.906 ( -7.907 -7.907 0.000) 11.183 4.130 ( 1.492 1.492 0.000) 2.110 4.256 ( 7.170 7.170 0.000) 10.140 4.677 ( 3.787 3.787 0.000) 5.356 5.004 ( -10.927 -10.927 0.000) 15.453 5.487 ( -0.369 -0.369 0.000) 0.521 5.701 ( 4.054 4.054 0.000) 5.734 6.454 ( 1.020 1.020 0.000) 1.443 6.603 ( -0.880 -0.880 0.000) 1.245 6.746 ( -6.578 -6.578 0.000) 9.303 6.834 ( 4.871 4.871 0.000) 6.888 6.998 ( -3.430 -3.430 0.000) 4.851 7.073 ( 0.400 0.400 0.000) 0.566 7.334 ( -3.184 -3.184 0.000) 4.503 8.317 ( -7.478 -7.478 0.000) 10.575 8.945 ( 0.808 0.808 0.000) 1.143 9.185 ( 0.397 0.397 0.000) 0.562 9.757 ( -2.195 -2.195 0.000) 3.104 10.813 ( 1.368 1.368 0.000) 1.935 11.193 ( -8.676 -8.676 0.000) 12.270 11.258 ( -5.793 -5.793 0.000) 8.193 11.443 ( 1.689 1.689 0.000) 2.388 11.587 ( -0.401 -0.401 0.000) 0.567 12.168 ( -5.098 -5.098 0.000) 7.210 12.396 ( 4.855 4.855 0.000) 6.865 12.623 ( 3.545 3.545 0.000) 5.013 12.939 ( -0.153 -0.153 0.000) 0.216 13.324 ( 6.799 6.799 0.000) 9.615 14.268 ( -4.814 -4.814 0.000) 6.808 14.970 ( -3.409 -3.409 0.000) 4.822 15.098 ( -3.323 -3.323 0.000) 4.700 16.288 ( -10.137 -10.137 0.000) 14.336 16.512 ( -19.841 -19.841 0.000) 28.060 17.318 ( 3.237 3.237 0.000) 4.578 17.793 ( -2.146 -2.146 0.000) 3.035 17.823 ( 1.877 1.877 0.000) 2.654 18.016 ( 28.074 28.074 0.000) 39.702 18.379 ( 2.432 2.432 0.000) 3.439 18.531 ( -1.466 -1.466 0.000) 2.073 19.256 ( 23.148 23.148 0.000) 32.736 20.987 ( -7.615 -7.615 0.000) 10.769 21.955 ( -7.003 -7.003 0.000) 9.904 21.986 ( -4.408 -4.408 0.000) 6.233 22.335 ( -0.585 -0.585 0.000) 0.828 22.617 ( 0.674 0.674 0.000) 0.953 ======================= Grid point 13 (8/63) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 22.866 10.057 0.000) 24.980 1.354 ( 37.809 -17.776 0.000) 41.779 1.852 ( 3.559 -11.563 0.000) 12.098 2.390 ( 10.535 12.312 0.000) 16.204 2.583 ( 32.711 27.549 0.000) 42.766 2.841 ( 8.605 -0.898 0.000) 8.651 3.167 ( 18.794 13.208 0.000) 22.971 3.174 ( -6.450 -3.112 0.000) 7.162 3.690 ( 20.531 12.270 0.000) 23.918 3.739 ( -8.042 -8.626 0.000) 11.794 4.108 ( -3.614 6.791 0.000) 7.693 4.427 ( 7.353 7.425 0.000) 10.450 4.691 ( -6.374 0.244 0.000) 6.378 4.796 ( -3.738 -1.680 0.000) 4.098 5.457 ( -3.319 -5.969 0.000) 6.829 5.794 ( 5.222 3.067 0.000) 6.056 6.370 ( -8.731 4.142 0.000) 9.663 6.606 ( 1.105 -4.825 0.000) 4.950 6.660 ( -2.476 -10.241 0.000) 10.536 6.888 ( -4.421 -2.141 0.000) 4.912 6.954 ( 3.530 2.250 0.000) 4.186 7.063 ( -1.395 1.516 0.000) 2.060 7.273 ( -1.863 -2.578 0.000) 3.180 8.101 ( -12.949 -5.391 0.000) 14.026 8.961 ( 0.653 1.568 0.000) 1.698 9.160 ( -2.694 4.284 0.000) 5.061 9.762 ( 2.515 -7.336 0.000) 7.755 10.842 ( 1.416 3.171 0.000) 3.473 10.985 ( -10.849 -12.913 0.000) 16.865 11.155 ( -3.775 -7.196 0.000) 8.127 11.447 ( -1.099 4.924 0.000) 5.045 11.540 ( -4.348 6.435 0.000) 7.766 12.079 ( -3.334 -8.082 0.000) 8.742 12.466 ( 1.462 9.648 0.000) 9.758 12.716 ( 5.025 0.580 0.000) 5.058 12.939 ( 0.309 -1.476 0.000) 1.508 13.470 ( 7.180 6.546 0.000) 9.716 14.170 ( -4.738 -6.349 0.000) 7.922 14.903 ( -2.321 -2.101 0.000) 3.131 15.010 ( -4.724 -5.536 0.000) 7.278 16.011 ( -15.264 -2.192 0.000) 15.420 16.037 ( -24.177 -11.511 0.000) 26.777 17.575 ( 19.723 -13.899 0.000) 24.128 17.737 ( -2.288 0.151 0.000) 2.293 17.916 ( 2.794 0.031 0.000) 2.794 18.350 ( 0.135 3.755 0.000) 3.757 18.565 ( 5.307 -0.613 0.000) 5.342 18.638 ( 31.501 29.808 0.000) 43.368 19.833 ( 27.892 9.080 0.000) 29.333 20.752 ( -15.097 -15.902 0.000) 21.927 21.749 ( -12.769 1.082 0.000) 12.815 21.861 ( -7.605 -7.375 0.000) 10.593 22.318 ( -1.041 -0.267 0.000) 1.075 22.599 ( -2.113 3.712 0.000) 4.271 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 20.364 4.217 0.000) 20.796 1.976 ( 8.202 -17.226 0.000) 19.079 2.127 ( 35.751 -22.503 0.000) 42.244 2.575 ( 6.665 9.134 0.000) 11.307 3.014 ( -8.858 -2.483 0.000) 9.200 3.061 ( 16.541 -2.054 0.000) 16.668 3.147 ( 18.757 9.374 0.000) 20.969 3.590 ( -5.833 -5.790 0.000) 8.219 3.639 ( 24.030 16.411 0.000) 29.100 3.991 ( -7.418 9.624 0.000) 12.151 4.092 ( 14.323 9.196 0.000) 17.021 4.391 ( -7.357 -2.455 0.000) 7.756 4.581 ( -2.166 4.505 0.000) 4.999 4.861 ( 7.763 10.669 0.000) 13.195 5.332 ( -8.695 -10.289 0.000) 13.471 5.909 ( 4.213 2.461 0.000) 4.879 6.155 ( -9.875 0.755 0.000) 9.904 6.596 ( -4.281 -5.935 0.000) 7.318 6.635 ( 1.161 -7.141 0.000) 7.235 6.768 ( -5.890 -6.551 0.000) 8.810 6.994 ( -1.094 4.730 0.000) 4.855 7.062 ( 2.559 2.462 0.000) 3.551 7.270 ( 1.208 -2.406 0.000) 2.692 7.810 ( -14.466 -3.263 0.000) 14.829 8.967 ( -0.099 2.228 0.000) 2.230 9.086 ( -4.176 5.296 0.000) 6.744 9.857 ( 6.710 -8.819 0.000) 11.081 10.737 ( -11.562 -13.046 0.000) 17.432 10.897 ( 2.583 3.481 0.000) 4.334 11.113 ( -0.226 -6.637 0.000) 6.640 11.404 ( -2.957 5.360 0.000) 6.121 11.413 ( -7.583 10.363 0.000) 12.841 12.042 ( -0.074 -8.333 0.000) 8.334 12.446 ( -3.388 9.889 0.000) 10.453 12.814 ( 4.356 -0.759 0.000) 4.422 12.953 ( 0.882 -0.924 0.000) 1.277 13.612 ( 6.501 3.870 0.000) 7.566 14.072 ( -4.854 -4.677 0.000) 6.741 14.897 ( 2.046 -1.377 0.000) 2.466 14.925 ( -2.915 -7.364 0.000) 7.920 15.573 ( -20.090 -5.894 0.000) 20.937 15.698 ( -14.695 -0.687 0.000) 14.711 17.710 ( -0.310 0.045 0.000) 0.313 17.896 ( -3.237 5.593 0.000) 6.462 18.067 ( 26.979 -24.330 0.000) 36.329 18.462 ( 8.608 -6.631 0.000) 10.866 18.675 ( 4.686 -1.538 0.000) 4.932 19.290 ( 31.155 29.338 0.000) 42.795 20.357 ( 22.941 5.315 0.000) 23.549 20.373 ( -21.256 -24.936 0.000) 32.766 21.436 ( -17.543 10.595 0.000) 20.494 21.676 ( -10.321 -8.835 0.000) 13.586 22.301 ( -0.402 -0.355 0.000) 0.536 22.538 ( -3.756 4.528 0.000) 5.884 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 13.000 -5.863 0.000) 14.261 2.186 ( 12.099 -12.622 0.000) 17.484 2.632 ( -1.320 0.307 0.000) 1.355 2.790 ( 28.086 -17.740 0.000) 33.220 2.821 ( -9.562 -0.270 0.000) 9.565 3.419 ( 8.251 -3.343 0.000) 8.903 3.455 ( 17.947 -4.142 0.000) 18.419 3.534 ( 1.214 1.375 0.000) 1.834 3.817 ( -9.086 9.768 0.000) 13.341 3.952 ( -0.152 -0.934 0.000) 0.946 4.092 ( 0.832 6.289 0.000) 6.344 4.369 ( -7.635 7.148 0.000) 10.459 4.673 ( 15.389 7.120 0.000) 16.956 5.055 ( 8.197 10.589 0.000) 13.391 5.143 ( -5.757 -7.675 0.000) 9.594 5.759 ( -16.134 9.289 0.000) 18.617 6.163 ( 7.704 -3.802 0.000) 8.591 6.483 ( -6.481 -4.127 0.000) 7.683 6.640 ( -0.533 -7.780 0.000) 7.799 6.670 ( -3.356 -7.158 0.000) 7.906 6.992 ( 1.725 4.120 0.000) 4.467 7.100 ( 0.141 2.787 0.000) 2.791 7.308 ( 2.424 -2.523 0.000) 3.499 7.540 ( -10.918 -1.953 0.000) 11.091 8.958 ( -0.540 3.164 0.000) 3.209 9.004 ( -3.347 4.940 0.000) 5.967 10.031 ( 9.902 -9.833 0.000) 13.955 10.494 ( -11.826 -13.336 0.000) 17.824 10.972 ( 4.583 6.508 0.000) 7.959 11.144 ( 3.052 -4.480 0.000) 5.421 11.245 ( -8.279 11.013 0.000) 13.778 11.326 ( -4.518 2.633 0.000) 5.229 12.083 ( 4.022 -4.900 0.000) 6.339 12.339 ( -6.548 5.866 0.000) 8.791 12.892 ( 3.189 -0.083 0.000) 3.190 12.964 ( -0.119 0.433 0.000) 0.449 13.738 ( 5.802 1.056 0.000) 5.898 13.968 ( -5.289 -2.415 0.000) 5.814 14.910 ( 1.776 -7.060 0.000) 7.280 14.990 ( 6.837 -1.239 0.000) 6.949 15.224 ( -13.710 -4.038 0.000) 14.293 15.412 ( -12.907 -0.887 0.000) 12.938 17.722 ( 1.389 0.662 0.000) 1.539 17.825 ( -3.329 4.432 0.000) 5.543 18.632 ( 7.013 -7.912 0.000) 10.573 18.656 ( 29.575 -30.689 0.000) 42.620 18.743 ( 1.647 -3.543 0.000) 3.907 19.775 ( -8.002 -10.371 0.000) 13.099 20.021 ( 11.115 6.493 0.000) 12.873 20.786 ( 18.814 1.091 0.000) 18.846 21.028 ( -22.017 18.415 0.000) 28.703 21.436 ( -13.001 -7.625 0.000) 15.072 22.311 ( 1.587 0.173 0.000) 1.597 22.451 ( -4.410 3.718 0.000) 5.768 ======================= Grid point 16 (11/63) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -3.644 -11.744 0.000) 12.296 2.318 ( 3.644 -11.744 0.000) 12.296 2.638 ( -6.296 -0.237 0.000) 6.301 2.638 ( 6.296 -0.237 0.000) 6.301 3.272 ( -17.992 -11.063 0.000) 21.121 3.272 ( 17.992 -11.063 0.000) 21.121 3.636 ( -7.783 7.557 0.000) 10.848 3.636 ( 7.783 7.557 0.000) 10.848 3.831 ( -12.968 -6.184 0.000) 14.367 3.831 ( 12.968 -6.184 0.000) 14.367 4.170 ( -7.633 5.924 0.000) 9.662 4.170 ( 7.633 5.924 0.000) 9.662 4.947 ( -9.275 -0.694 0.000) 9.301 4.947 ( 9.275 -0.694 0.000) 9.301 5.388 ( -18.202 13.359 0.000) 22.578 5.388 ( 18.202 13.359 0.000) 22.578 6.333 ( -8.019 -3.909 0.000) 8.921 6.333 ( 8.019 -3.909 0.000) 8.921 6.633 ( -0.383 -7.412 0.000) 7.422 6.633 ( 0.383 -7.412 0.000) 7.422 7.057 ( -3.698 3.208 0.000) 4.896 7.057 ( 3.698 3.208 0.000) 4.896 7.379 ( -4.969 -2.071 0.000) 5.384 7.379 ( 4.969 -2.071 0.000) 5.384 8.959 ( -0.951 4.165 0.000) 4.272 8.959 ( 0.951 4.165 0.000) 4.272 10.254 ( -11.422 -11.634 0.000) 16.304 10.254 ( 11.422 -11.634 0.000) 16.304 11.088 ( -6.728 9.223 0.000) 11.416 11.088 ( 6.728 9.223 0.000) 11.416 11.228 ( -4.762 -1.207 0.000) 4.912 11.228 ( 4.762 -1.207 0.000) 4.912 12.197 ( -6.677 0.469 0.000) 6.694 12.197 ( 6.677 0.469 0.000) 6.694 12.944 ( -1.784 0.710 0.000) 1.920 12.944 ( 1.784 0.710 0.000) 1.920 13.855 ( -5.586 -0.835 0.000) 5.648 13.855 ( 5.586 -0.835 0.000) 5.648 15.005 ( -7.548 -5.124 0.000) 9.123 15.005 ( 7.548 -5.124 0.000) 9.123 15.170 ( -10.451 -1.165 0.000) 10.516 15.170 ( 10.451 -1.165 0.000) 10.516 17.763 ( -2.546 2.250 0.000) 3.398 17.763 ( 2.546 2.250 0.000) 3.398 18.734 ( -2.669 -6.026 0.000) 6.591 18.734 ( 2.669 -6.026 0.000) 6.591 19.264 ( -28.920 -32.759 0.000) 43.698 19.264 ( 28.920 -32.759 0.000) 43.698 20.532 ( -25.931 23.447 0.000) 34.959 20.532 ( 25.931 23.447 0.000) 34.959 21.140 ( -15.708 -3.853 0.000) 16.174 21.140 ( 15.708 -3.853 0.000) 16.174 22.366 ( -3.604 1.859 0.000) 4.056 22.366 ( 3.604 1.859 0.000) 4.056 ======================= Grid point 24 (12/63) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.670 10.670 0.000) 15.090 1.585 ( 14.540 14.540 0.000) 20.562 1.665 ( -5.993 -5.993 0.000) 8.476 2.602 ( 7.578 7.578 0.000) 10.717 2.860 ( 3.484 3.484 0.000) 4.927 3.055 ( 17.951 17.951 0.000) 25.386 3.079 ( -5.988 -5.988 0.000) 8.469 3.559 ( 22.755 22.755 0.000) 32.181 3.591 ( -5.227 -5.227 0.000) 7.392 4.020 ( 18.383 18.383 0.000) 25.997 4.196 ( 1.348 1.348 0.000) 1.906 4.492 ( -12.588 -12.588 0.000) 17.802 4.617 ( 9.205 9.205 0.000) 13.017 4.937 ( 9.438 9.438 0.000) 13.347 5.292 ( -10.134 -10.134 0.000) 14.331 5.846 ( 2.161 2.161 0.000) 3.057 6.390 ( -9.120 -9.120 0.000) 12.898 6.479 ( -0.173 -0.173 0.000) 0.245 6.527 ( -2.572 -2.572 0.000) 3.638 6.759 ( -7.641 -7.641 0.000) 10.806 7.056 ( 4.591 4.591 0.000) 6.492 7.080 ( 0.101 0.101 0.000) 0.143 7.216 ( -2.260 -2.260 0.000) 3.195 7.939 ( -10.085 -10.085 0.000) 14.262 8.995 ( 1.618 1.618 0.000) 2.288 9.245 ( 2.567 2.567 0.000) 3.630 9.630 ( -3.814 -3.814 0.000) 5.394 10.709 ( -13.337 -13.337 0.000) 18.861 10.916 ( 3.759 3.759 0.000) 5.315 11.039 ( -3.675 -3.675 0.000) 5.197 11.512 ( 1.387 1.387 0.000) 1.962 11.621 ( 1.099 1.099 0.000) 1.555 11.937 ( -5.452 -5.452 0.000) 7.710 12.646 ( 6.688 6.688 0.000) 9.458 12.717 ( -0.518 -0.518 0.000) 0.732 12.915 ( -0.047 -0.047 0.000) 0.067 13.615 ( 6.601 6.601 0.000) 9.335 14.035 ( -5.752 -5.752 0.000) 8.135 14.863 ( -1.234 -1.234 0.000) 1.746 14.867 ( -7.564 -7.564 0.000) 10.697 15.738 ( -16.375 -16.375 0.000) 23.157 15.895 ( -9.316 -9.316 0.000) 13.175 17.459 ( 2.917 2.917 0.000) 4.125 17.770 ( 0.601 0.601 0.000) 0.849 17.903 ( 1.595 1.595 0.000) 2.255 18.461 ( -1.681 -1.681 0.000) 2.377 18.484 ( 1.945 1.945 0.000) 2.751 19.267 ( 30.441 30.441 0.000) 43.051 20.136 ( 18.124 18.124 0.000) 25.631 20.328 ( -24.170 -24.170 0.000) 34.182 21.676 ( -9.884 -9.884 0.000) 13.978 21.731 ( -3.437 -3.437 0.000) 4.860 22.308 ( -0.890 -0.890 0.000) 1.259 22.641 ( 0.012 0.012 0.000) 0.017 ======================= Grid point 25 (13/63) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.154 -16.231 0.000) 16.373 1.710 ( 29.053 -15.339 0.000) 32.854 1.885 ( 13.657 5.935 0.000) 14.891 2.665 ( -2.155 -1.070 0.000) 2.406 2.947 ( -6.123 -3.273 0.000) 6.943 2.990 ( 9.234 -2.211 0.000) 9.495 3.358 ( 10.612 8.108 0.000) 13.355 3.544 ( 1.049 1.569 0.000) 1.888 3.928 ( 7.360 6.561 0.000) 9.860 4.159 ( -4.779 6.015 0.000) 7.683 4.248 ( -3.312 4.576 0.000) 5.649 4.424 ( 15.029 9.695 0.000) 17.885 4.756 ( 2.662 11.121 0.000) 11.435 5.069 ( -5.897 -9.304 0.000) 11.016 5.144 ( 8.268 12.231 0.000) 14.764 5.908 ( 4.535 -2.670 0.000) 5.262 6.167 ( -10.700 -0.803 0.000) 10.730 6.479 ( -2.017 -4.093 0.000) 4.563 6.496 ( -0.857 -5.886 0.000) 5.948 6.608 ( -6.462 -8.182 0.000) 10.426 7.056 ( -1.482 1.168 0.000) 1.887 7.129 ( 2.229 3.525 0.000) 4.171 7.206 ( 1.038 -3.445 0.000) 3.598 7.704 ( -12.078 -7.039 0.000) 13.979 9.023 ( 1.032 2.882 0.000) 3.061 9.225 ( -3.918 7.739 0.000) 8.674 9.649 ( 5.216 -10.501 0.000) 11.725 10.443 ( -12.319 -14.298 0.000) 18.873 11.004 ( 4.907 5.754 0.000) 7.562 11.013 ( 1.189 -2.646 0.000) 2.901 11.492 ( -3.703 3.462 0.000) 5.070 11.583 ( -4.549 5.568 0.000) 7.190 11.883 ( 1.030 -7.245 0.000) 7.318 12.596 ( -7.627 2.524 0.000) 8.034 12.811 ( 6.064 1.963 0.000) 6.374 12.947 ( 2.434 0.760 0.000) 2.550 13.718 ( 3.329 6.037 0.000) 6.894 13.955 ( -2.209 -5.987 0.000) 6.382 14.734 ( -4.375 -10.228 0.000) 11.124 14.870 ( 2.251 -0.838 0.000) 2.402 15.397 ( -16.127 -10.842 0.000) 19.433 15.652 ( -13.266 -4.262 0.000) 13.933 17.664 ( 15.812 -13.776 0.000) 20.971 17.757 ( -0.507 3.986 0.000) 4.019 17.955 ( 0.865 -0.221 0.000) 0.893 18.389 ( 0.124 -0.007 0.000) 0.124 18.587 ( 3.730 -6.062 0.000) 7.117 19.728 ( -16.646 -18.242 0.000) 24.695 19.935 ( 17.270 14.591 0.000) 22.608 20.505 ( 16.670 8.342 0.000) 18.640 21.469 ( -10.020 -10.233 0.000) 14.322 21.596 ( -9.708 4.342 0.000) 10.635 22.291 ( -0.316 -0.738 0.000) 0.803 22.603 ( -3.479 1.242 0.000) 3.694 ======================= Grid point 26 (14/63) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 9.593 -21.821 0.000) 23.837 2.088 ( 3.416 -7.037 0.000) 7.823 2.354 ( 31.636 -23.078 0.000) 39.159 2.575 ( -2.652 -3.437 0.000) 4.341 2.817 ( -7.248 -0.294 0.000) 7.254 3.233 ( 12.689 -8.697 0.000) 15.383 3.375 ( -9.161 -9.857 0.000) 13.457 3.635 ( 7.323 7.489 0.000) 10.474 3.912 ( -5.908 -3.825 0.000) 7.038 4.014 ( -8.779 8.671 0.000) 12.339 4.212 ( -0.539 3.599 0.000) 3.639 4.532 ( -5.604 9.405 0.000) 10.948 4.885 ( 11.595 12.696 0.000) 17.194 5.048 ( 2.247 3.471 0.000) 4.135 5.364 ( 12.343 15.496 0.000) 19.811 5.928 ( -11.632 5.867 0.000) 13.028 6.052 ( 7.692 -6.772 0.000) 10.248 6.390 ( -6.326 -4.075 0.000) 7.525 6.478 ( -0.975 -7.425 0.000) 7.488 6.508 ( -3.160 -7.834 0.000) 8.447 7.048 ( 1.255 1.351 0.000) 1.844 7.154 ( -0.379 2.087 0.000) 2.122 7.237 ( 2.286 -4.191 0.000) 4.774 7.471 ( -9.833 -4.858 0.000) 10.967 9.039 ( 0.763 4.300 0.000) 4.368 9.132 ( -4.289 6.940 0.000) 8.159 9.799 ( 8.651 -11.733 0.000) 14.577 10.203 ( -10.925 -14.116 0.000) 17.849 11.082 ( 5.213 -1.146 0.000) 5.337 11.123 ( 6.729 7.464 0.000) 10.050 11.371 ( -7.330 2.273 0.000) 7.675 11.449 ( -7.904 8.104 0.000) 11.320 11.980 ( 7.742 -5.686 0.000) 9.606 12.402 ( -10.667 -0.564 0.000) 10.682 12.917 ( 4.120 2.975 0.000) 5.082 12.986 ( 0.933 1.868 0.000) 2.088 13.774 ( 2.730 2.365 0.000) 3.612 13.912 ( -2.720 -2.466 0.000) 3.672 14.718 ( 3.029 -10.992 0.000) 11.402 14.961 ( 6.602 -1.240 0.000) 6.717 15.089 ( -13.499 -8.973 0.000) 16.209 15.379 ( -12.803 -2.533 0.000) 13.051 17.770 ( 1.848 3.813 0.000) 4.237 17.913 ( -3.905 3.529 0.000) 5.263 18.070 ( 22.966 -25.182 0.000) 34.082 18.465 ( 5.703 -7.155 0.000) 9.149 18.623 ( -0.346 -7.523 0.000) 7.531 19.169 ( -28.751 -33.199 0.000) 43.918 20.464 ( 25.487 22.014 0.000) 33.678 20.810 ( 12.984 1.076 0.000) 13.028 21.264 ( -10.027 -8.140 0.000) 12.915 21.332 ( -15.870 10.834 0.000) 19.215 22.312 ( 2.578 -0.320 0.000) 2.598 22.508 ( -5.428 1.208 0.000) 5.561 ======================= Grid point 27 (15/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -11.067 -20.281 0.000) 23.105 1.979 ( 11.067 -20.281 0.000) 23.105 2.651 ( -7.953 1.201 0.000) 8.043 2.651 ( 7.953 1.201 0.000) 8.043 2.955 ( -25.408 -19.661 0.000) 32.126 2.955 ( 25.408 -19.661 0.000) 32.126 3.611 ( -18.821 -13.542 0.000) 23.186 3.611 ( 18.821 -13.542 0.000) 23.186 3.818 ( -9.755 9.281 0.000) 13.464 3.818 ( 9.755 9.281 0.000) 13.464 4.351 ( -10.405 11.069 0.000) 15.192 4.351 ( 10.405 11.069 0.000) 15.192 5.052 ( -3.465 9.808 0.000) 10.402 5.052 ( 3.465 9.808 0.000) 10.402 5.649 ( -14.566 11.090 0.000) 18.307 5.649 ( 14.566 11.090 0.000) 18.307 6.231 ( -8.727 -5.338 0.000) 10.230 6.231 ( 8.727 -5.338 0.000) 10.230 6.470 ( -0.625 -7.617 0.000) 7.643 6.470 ( 0.625 -7.617 0.000) 7.643 7.105 ( -3.574 1.166 0.000) 3.760 7.105 ( 3.574 1.166 0.000) 3.760 7.315 ( -5.397 -4.091 0.000) 6.772 7.315 ( 5.397 -4.091 0.000) 6.772 9.066 ( -2.081 5.673 0.000) 6.043 9.066 ( 2.081 5.673 0.000) 6.043 9.991 ( -9.798 -13.013 0.000) 16.289 9.991 ( 9.798 -13.013 0.000) 16.289 11.215 ( -7.390 0.473 0.000) 7.405 11.215 ( 7.390 0.473 0.000) 7.405 11.279 ( -8.224 8.517 0.000) 11.839 11.279 ( 8.224 8.517 0.000) 11.839 12.176 ( -10.779 -3.119 0.000) 11.221 12.176 ( 10.779 -3.119 0.000) 11.221 12.978 ( -1.723 2.740 0.000) 3.237 12.978 ( 1.723 2.740 0.000) 3.237 13.841 ( -3.698 -0.185 0.000) 3.702 13.841 ( 3.698 -0.185 0.000) 3.702 14.850 ( -9.398 -9.706 0.000) 13.510 14.850 ( 9.398 -9.706 0.000) 13.510 15.138 ( -10.332 -1.871 0.000) 10.500 15.138 ( 10.332 -1.871 0.000) 10.500 17.830 ( -3.755 3.889 0.000) 5.406 17.830 ( 3.755 3.889 0.000) 5.406 18.574 ( -4.214 -8.606 0.000) 9.582 18.574 ( 4.214 -8.606 0.000) 9.582 18.590 ( -27.044 -31.626 0.000) 41.612 18.590 ( 27.044 -31.626 0.000) 41.612 20.948 ( -21.254 16.685 0.000) 27.021 20.948 ( 21.254 16.685 0.000) 27.021 21.051 ( -10.763 -4.322 0.000) 11.598 21.051 ( 10.763 -4.322 0.000) 11.598 22.395 ( -5.162 0.495 0.000) 5.186 22.395 ( 5.162 0.495 0.000) 5.186 ======================= Grid point 36 (16/63) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -9.173 -9.173 0.000) 12.973 1.591 ( 5.230 5.230 0.000) 7.397 1.969 ( 0.204 0.204 0.000) 0.288 2.570 ( -5.162 -5.162 0.000) 7.300 2.888 ( -3.115 -3.115 0.000) 4.406 2.991 ( 2.624 2.624 0.000) 3.710 3.379 ( -8.372 -8.372 0.000) 11.840 3.639 ( 6.975 6.975 0.000) 9.865 3.933 ( -3.045 -3.045 0.000) 4.307 4.220 ( -0.287 -0.287 0.000) 0.406 4.273 ( -3.647 -3.647 0.000) 5.157 4.660 ( 10.570 10.570 0.000) 14.948 4.968 ( 5.701 5.701 0.000) 8.063 5.013 ( 11.123 11.123 0.000) 15.730 5.453 ( 14.487 14.487 0.000) 20.488 5.838 ( -2.435 -2.435 0.000) 3.444 6.099 ( -5.307 -5.307 0.000) 7.505 6.401 ( -3.303 -3.303 0.000) 4.671 6.426 ( -2.364 -2.364 0.000) 3.343 6.456 ( -6.054 -6.054 0.000) 8.562 7.063 ( -0.245 -0.245 0.000) 0.347 7.140 ( -1.544 -1.544 0.000) 2.184 7.187 ( 1.021 1.021 0.000) 1.444 7.530 ( -9.344 -9.344 0.000) 13.215 9.078 ( 2.404 2.404 0.000) 3.400 9.371 ( 3.036 3.036 0.000) 4.294 9.465 ( -3.837 -3.837 0.000) 5.426 10.165 ( -12.527 -12.527 0.000) 17.716 11.011 ( 2.425 2.425 0.000) 3.429 11.127 ( 6.337 6.337 0.000) 8.962 11.545 ( 0.168 0.168 0.000) 0.237 11.633 ( -0.688 -0.688 0.000) 0.973 11.758 ( -2.946 -2.946 0.000) 4.166 12.521 ( -8.104 -8.104 0.000) 11.461 12.909 ( 5.735 5.735 0.000) 8.111 12.987 ( 2.745 2.745 0.000) 3.883 13.840 ( 4.205 4.205 0.000) 5.946 13.853 ( -2.524 -2.524 0.000) 3.570 14.544 ( -7.159 -7.159 0.000) 10.124 14.876 ( 1.733 1.733 0.000) 2.450 15.143 ( -13.348 -13.348 0.000) 18.877 15.513 ( -9.000 -9.000 0.000) 12.728 17.523 ( 0.100 0.100 0.000) 0.142 17.837 ( 2.513 2.513 0.000) 3.554 17.936 ( 0.064 0.064 0.000) 0.090 18.404 ( -1.073 -1.073 0.000) 1.518 18.479 ( -2.463 -2.463 0.000) 3.483 19.118 ( -31.074 -31.074 0.000) 43.945 20.422 ( 23.412 23.412 0.000) 33.109 20.676 ( 7.920 7.920 0.000) 11.200 21.276 ( -8.406 -8.406 0.000) 11.888 21.609 ( -3.071 -3.071 0.000) 4.343 22.277 ( -0.152 -0.152 0.000) 0.215 22.584 ( -2.935 -2.935 0.000) 4.151 ======================= Grid point 37 (17/63) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 4.476 -21.255 0.000) 21.721 1.825 ( -13.455 -17.970 0.000) 22.449 1.910 ( 23.781 -17.890 0.000) 29.758 2.558 ( 4.008 1.806 0.000) 4.396 2.803 ( -5.194 -1.171 0.000) 5.324 3.030 ( -21.181 -19.494 0.000) 28.787 3.111 ( 6.370 -6.475 0.000) 9.083 3.686 ( -17.945 -16.033 0.000) 24.064 3.808 ( 9.011 8.712 0.000) 12.533 4.152 ( -5.940 4.289 0.000) 7.327 4.358 ( 11.086 11.151 0.000) 15.724 4.755 ( -2.169 10.999 0.000) 11.211 5.152 ( 9.737 12.008 0.000) 15.460 5.231 ( 7.980 11.876 0.000) 14.308 5.663 ( 5.580 11.822 0.000) 13.073 5.906 ( 8.175 -5.356 0.000) 9.773 5.970 ( -5.366 -2.214 0.000) 5.805 6.339 ( -6.459 -1.055 0.000) 6.545 6.352 ( -1.618 -4.500 0.000) 4.782 6.369 ( -2.499 -5.285 0.000) 5.846 7.060 ( 0.696 0.168 0.000) 0.716 7.147 ( 1.969 -4.054 0.000) 4.507 7.175 ( -2.153 -0.309 0.000) 2.175 7.344 ( -8.013 -7.064 0.000) 10.682 9.123 ( 2.126 3.680 0.000) 4.249 9.271 ( -5.940 6.131 0.000) 8.536 9.575 ( 7.763 -9.526 0.000) 12.289 9.930 ( -10.199 -12.107 0.000) 15.830 11.105 ( 6.367 3.375 0.000) 7.206 11.268 ( 7.313 6.571 0.000) 9.832 11.442 ( -8.337 4.845 0.000) 9.643 11.564 ( -5.579 2.937 0.000) 6.305 11.835 ( 8.735 -8.248 0.000) 12.014 12.310 ( -11.750 -7.900 0.000) 14.159 13.007 ( 3.560 5.061 0.000) 6.187 13.040 ( 1.948 3.175 0.000) 3.725 13.819 ( 0.459 1.429 0.000) 1.501 13.900 ( -0.081 2.165 0.000) 2.167 14.486 ( 2.211 -10.745 0.000) 10.970 14.866 ( -13.107 -12.234 0.000) 17.929 14.949 ( 5.419 0.302 0.000) 5.427 15.304 ( -10.636 -4.724 0.000) 11.638 17.653 ( 12.066 -14.590 0.000) 18.933 17.862 ( 1.135 4.400 0.000) 4.544 17.946 ( -0.760 -0.469 0.000) 0.893 18.374 ( 0.447 -1.578 0.000) 1.641 18.463 ( -1.055 -7.088 0.000) 7.166 18.506 ( -27.632 -30.221 0.000) 40.949 20.829 ( 6.995 0.903 0.000) 7.053 20.865 ( 19.466 16.911 0.000) 25.786 21.117 ( -7.236 -6.065 0.000) 9.442 21.476 ( -9.602 3.345 0.000) 10.168 22.300 ( 2.601 -0.526 0.000) 2.653 22.495 ( -5.319 -2.345 0.000) 5.812 ======================= Grid point 38 (18/63) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -14.864 -24.654 0.000) 28.788 1.509 ( 14.864 -24.654 0.000) 28.788 2.477 ( -29.181 -25.580 0.000) 38.806 2.477 ( 29.181 -25.580 0.000) 38.806 2.679 ( -6.547 1.348 0.000) 6.684 2.679 ( 6.547 1.348 0.000) 6.684 3.341 ( -14.345 -11.604 0.000) 18.451 3.341 ( 14.345 -11.604 0.000) 18.451 3.995 ( -8.777 7.499 0.000) 11.544 3.995 ( 8.777 7.499 0.000) 11.544 4.604 ( -11.075 13.026 0.000) 17.098 4.604 ( 11.075 13.026 0.000) 17.098 5.290 ( -2.540 11.926 0.000) 12.193 5.290 ( 2.540 11.926 0.000) 12.193 5.793 ( -7.815 1.395 0.000) 7.938 5.793 ( 7.815 1.395 0.000) 7.938 6.157 ( -10.999 -0.511 0.000) 11.011 6.157 ( 10.999 -0.511 0.000) 11.011 6.340 ( -0.472 -4.733 0.000) 4.757 6.340 ( 0.472 -4.733 0.000) 4.757 7.106 ( -3.516 -0.786 0.000) 3.603 7.106 ( 3.516 -0.786 0.000) 3.603 7.216 ( -4.560 -5.270 0.000) 6.969 7.216 ( 4.560 -5.270 0.000) 6.969 9.176 ( -3.335 4.806 0.000) 5.850 9.176 ( 3.335 4.806 0.000) 5.850 9.740 ( -8.437 -10.891 0.000) 13.777 9.740 ( 8.437 -10.891 0.000) 13.777 11.261 ( -8.552 4.205 0.000) 9.530 11.261 ( 8.552 4.205 0.000) 9.530 11.424 ( -7.574 5.451 0.000) 9.332 11.424 ( 7.574 5.451 0.000) 9.332 12.058 ( -12.144 -8.203 0.000) 14.654 12.058 ( 12.144 -8.203 0.000) 14.654 13.053 ( -0.810 4.184 0.000) 4.261 13.053 ( 0.810 4.184 0.000) 4.261 13.859 ( -2.810 2.068 0.000) 3.489 13.859 ( 2.810 2.068 0.000) 3.489 14.622 ( -10.024 -11.951 0.000) 15.598 14.622 ( 10.024 -11.951 0.000) 15.598 15.098 ( -8.889 -1.817 0.000) 9.073 15.098 ( 8.889 -1.817 0.000) 9.073 17.902 ( -2.624 2.491 0.000) 3.618 17.902 ( 2.624 2.491 0.000) 3.618 18.000 ( -21.100 -24.809 0.000) 32.568 18.000 ( 21.100 -24.809 0.000) 32.568 18.419 ( -2.910 -5.553 0.000) 6.269 18.419 ( 2.910 -5.553 0.000) 6.269 20.971 ( -6.969 -3.323 0.000) 7.721 20.971 ( 6.969 -3.323 0.000) 7.721 21.221 ( -14.972 10.012 0.000) 18.011 21.221 ( 14.972 10.012 0.000) 18.011 22.383 ( -5.108 -1.473 0.000) 5.316 22.383 ( 5.108 -1.473 0.000) 5.316 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -9.081 -9.081 0.000) 12.842 1.399 ( -21.873 -21.873 0.000) 30.933 1.718 ( 1.378 1.378 0.000) 1.948 2.513 ( -27.844 -27.844 0.000) 39.377 2.622 ( 3.851 3.851 0.000) 5.445 2.766 ( -2.474 -2.474 0.000) 3.499 3.067 ( 1.096 1.096 0.000) 1.550 3.369 ( -13.373 -13.373 0.000) 18.913 3.979 ( 7.671 7.671 0.000) 10.848 4.184 ( -1.133 -1.133 0.000) 1.602 4.621 ( 13.290 13.290 0.000) 18.795 4.923 ( 3.533 3.533 0.000) 4.996 5.354 ( 7.879 7.879 0.000) 11.142 5.463 ( 9.037 9.037 0.000) 12.780 5.698 ( -3.933 -3.933 0.000) 5.562 5.866 ( -6.391 -6.391 0.000) 9.038 6.002 ( 10.566 10.566 0.000) 14.943 6.292 ( -1.595 -1.595 0.000) 2.256 6.296 ( -1.858 -1.858 0.000) 2.627 6.308 ( -2.941 -2.941 0.000) 4.159 7.066 ( 0.272 0.272 0.000) 0.384 7.087 ( -0.971 -0.971 0.000) 1.373 7.146 ( -2.429 -2.429 0.000) 3.436 7.201 ( -6.152 -6.152 0.000) 8.700 9.191 ( 3.065 3.065 0.000) 4.335 9.339 ( -2.070 -2.070 0.000) 2.927 9.460 ( 1.112 1.112 0.000) 1.573 9.712 ( -9.065 -9.065 0.000) 12.819 11.215 ( 7.127 7.127 0.000) 10.079 11.395 ( 5.792 5.792 0.000) 8.191 11.534 ( -0.487 -0.487 0.000) 0.688 11.574 ( -1.798 -1.798 0.000) 2.542 11.694 ( -0.443 -0.443 0.000) 0.627 12.103 ( -11.603 -11.603 0.000) 16.409 13.097 ( 3.218 3.218 0.000) 4.551 13.103 ( 2.598 2.598 0.000) 3.675 13.854 ( 2.625 2.625 0.000) 3.712 13.963 ( 1.861 1.861 0.000) 2.632 14.320 ( -3.574 -3.574 0.000) 5.054 14.607 ( -12.354 -12.354 0.000) 17.471 14.981 ( 2.894 2.894 0.000) 4.093 15.189 ( -6.101 -6.101 0.000) 8.628 17.488 ( -1.298 -1.298 0.000) 1.836 17.922 ( -0.543 -0.543 0.000) 0.767 17.922 ( 0.588 0.588 0.000) 0.831 17.955 ( -22.590 -22.590 0.000) 31.947 18.362 ( -1.447 -1.447 0.000) 2.046 18.371 ( -0.501 -0.501 0.000) 0.708 20.857 ( 2.048 2.048 0.000) 2.897 21.006 ( -4.852 -4.852 0.000) 6.862 21.164 ( 12.166 12.166 0.000) 17.206 21.479 ( -2.812 -2.812 0.000) 3.977 22.303 ( 1.027 1.027 0.000) 1.452 22.425 ( -4.001 -4.001 0.000) 5.658 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -13.556 -22.398 0.000) 26.181 1.005 ( 13.556 -22.398 0.000) 26.181 1.975 ( -21.805 -20.642 0.000) 30.026 1.975 ( 21.805 -20.642 0.000) 30.026 2.702 ( -3.623 0.821 0.000) 3.715 2.702 ( 3.623 0.821 0.000) 3.715 3.154 ( -7.363 -6.295 0.000) 9.687 3.154 ( 7.363 -6.295 0.000) 9.687 4.115 ( -5.239 3.955 0.000) 6.564 4.115 ( 5.239 3.955 0.000) 6.564 4.862 ( -8.753 10.977 0.000) 14.039 4.862 ( 8.753 10.977 0.000) 14.039 5.496 ( -5.308 7.012 0.000) 8.795 5.496 ( 5.308 7.012 0.000) 8.795 5.726 ( -6.396 -5.380 0.000) 8.357 5.726 ( 6.396 -5.380 0.000) 8.357 6.199 ( -7.674 2.859 0.000) 8.189 6.199 ( 7.674 2.859 0.000) 8.189 6.278 ( -0.139 -1.422 0.000) 1.429 6.278 ( 0.139 -1.422 0.000) 1.429 7.084 ( -2.187 -1.118 0.000) 2.456 7.084 ( 2.187 -1.118 0.000) 2.456 7.114 ( -2.389 -4.086 0.000) 4.733 7.114 ( 2.389 -4.086 0.000) 4.733 9.259 ( -3.768 3.189 0.000) 4.936 9.259 ( 3.768 3.189 0.000) 4.936 9.555 ( -6.306 -6.834 0.000) 9.299 9.555 ( 6.306 -6.834 0.000) 9.299 11.387 ( -9.148 7.705 0.000) 11.961 11.387 ( 9.148 7.705 0.000) 11.961 11.504 ( -4.609 2.423 0.000) 5.207 11.504 ( 4.609 2.423 0.000) 5.207 11.857 ( -11.527 -10.617 0.000) 15.671 11.857 ( 11.527 -10.617 0.000) 15.671 13.132 ( -0.105 3.036 0.000) 3.038 13.132 ( 0.105 3.036 0.000) 3.038 13.928 ( -4.029 4.495 0.000) 6.037 13.928 ( 4.029 4.495 0.000) 6.037 14.383 ( -8.456 -10.484 0.000) 13.469 14.383 ( 8.456 -10.484 0.000) 13.469 15.068 ( -5.338 -1.070 0.000) 5.444 15.068 ( 5.338 -1.070 0.000) 5.444 17.597 ( -11.695 -13.630 0.000) 17.960 17.597 ( 11.695 -13.630 0.000) 17.960 17.919 ( -0.572 -0.539 0.000) 0.786 17.919 ( 0.572 -0.539 0.000) 0.786 18.361 ( -0.815 -0.561 0.000) 0.989 18.361 ( 0.815 -0.561 0.000) 0.989 20.917 ( -3.742 -1.901 0.000) 4.197 20.917 ( 3.742 -1.901 0.000) 4.197 21.369 ( -7.736 4.538 0.000) 8.969 21.369 ( 7.736 4.538 0.000) 8.969 22.347 ( -3.194 -1.608 0.000) 3.576 22.347 ( 3.194 -1.608 0.000) 3.576 ======================= Grid point 65 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 0.000 0.000) 0.000 0.729 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.554 ( -0.000 -0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 14.000 ( -0.000 -0.000 0.000) 0.000 14.000 ( 0.000 0.000 0.000) 0.000 14.248 ( 0.000 0.000 0.000) 0.000 14.248 ( 0.000 0.000 0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 17.455 ( 0.000 0.000 0.000) 0.000 17.455 ( 0.000 0.000 0.000) 0.000 17.908 ( 0.000 0.000 0.000) 0.000 17.908 ( 0.000 0.000 0.000) 0.000 18.361 ( 0.000 0.000 0.000) 0.000 18.361 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 21.415 ( 0.000 0.000 0.000) 0.000 21.415 ( 0.000 0.000 0.000) 0.000 22.329 ( 0.000 0.000 0.000) 0.000 22.329 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 0.000 30.879) 30.879 0.653 ( 0.000 0.000 30.879) 30.879 1.371 ( -0.000 -0.000 66.198) 66.198 1.854 ( 0.000 0.000 -4.498) 4.498 1.854 ( 0.000 0.000 -4.498) 4.498 2.605 ( 0.000 0.000 -7.594) 7.594 2.605 ( -0.000 -0.000 -7.594) 7.594 3.112 ( 0.000 0.000 8.754) 8.754 3.552 ( -0.000 -0.000 18.681) 18.681 3.978 ( 0.000 0.000 -11.142) 11.142 4.079 ( -0.000 0.000 -1.367) 1.367 4.079 ( 0.000 0.000 -1.367) 1.367 4.644 ( -0.000 -0.000 3.559) 3.559 4.644 ( 0.000 0.000 3.559) 3.559 5.035 ( -0.000 0.000 -43.360) 43.360 5.223 ( 0.000 0.000 -16.902) 16.902 6.419 ( -0.000 -0.000 -0.722) 0.722 6.419 ( -0.000 -0.000 -0.722) 0.722 6.962 ( 0.000 0.000 24.140) 24.140 7.067 ( 0.000 0.000 0.492) 0.492 7.067 ( -0.000 0.000 0.492) 0.492 7.532 ( -0.000 -0.000 10.996) 10.996 7.764 ( -0.000 0.000 -2.588) 2.588 8.391 ( 0.000 0.000 -8.800) 8.800 8.944 ( -0.000 0.000 1.365) 1.365 8.944 ( 0.000 0.000 1.365) 1.365 9.794 ( -0.000 -0.000 -0.815) 0.815 9.794 ( 0.000 0.000 -0.815) 0.815 11.380 ( 0.000 0.000 3.114) 3.114 11.399 ( 0.000 -0.000 -0.325) 0.325 11.399 ( -0.000 -0.000 -0.325) 0.325 11.621 ( -0.000 -0.000 -2.372) 2.372 12.244 ( 0.000 0.000 -3.654) 3.654 12.244 ( -0.000 -0.000 -3.654) 3.654 13.025 ( 0.000 0.000 8.754) 8.754 13.198 ( -0.000 0.000 3.343) 3.343 13.198 ( 0.000 0.000 3.343) 3.343 14.120 ( 0.000 0.000 -21.363) 21.363 15.440 ( 0.000 0.000 20.898) 20.898 16.529 ( 0.000 0.000 -10.508) 10.508 17.157 ( 0.000 -0.000 10.255) 10.255 17.235 ( -0.000 0.000 -0.661) 0.661 17.235 ( -0.000 0.000 -0.661) 0.661 17.803 ( 0.000 0.000 2.021) 2.021 17.803 ( 0.000 0.000 2.021) 2.021 18.030 ( 0.000 0.000 -13.938) 13.938 18.446 ( 0.000 0.000 5.448) 5.448 18.546 ( 0.000 0.000 -0.035) 0.035 18.547 ( 0.000 0.000 -1.399) 1.399 18.547 ( 0.000 0.000 -1.399) 1.399 22.101 ( 0.000 0.000 3.407) 3.407 22.146 ( 0.000 0.000 1.011) 1.011 22.334 ( 0.000 0.000 0.078) 0.078 22.565 ( 0.000 0.000 -3.744) 3.744 ======================= Grid point 122 (23/63) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 24.315 0.000 21.891) 32.718 1.099 ( 33.452 0.000 16.451) 37.278 1.678 ( 28.278 0.000 51.701) 58.929 1.927 ( 6.616 0.000 -3.435) 7.455 1.935 ( 7.395 0.000 -2.753) 7.891 2.644 ( 4.075 0.000 -7.144) 8.225 2.688 ( 7.596 0.000 -8.243) 11.209 3.257 ( 13.381 0.000 7.743) 15.460 3.507 ( -4.174 0.000 17.515) 18.006 4.036 ( 1.138 0.000 -5.130) 5.255 4.058 ( -3.546 0.000 -0.050) 3.547 4.076 ( 3.623 0.000 -5.719) 6.770 4.651 ( 0.750 0.000 2.556) 2.664 4.752 ( 0.946 0.000 -17.490) 17.515 5.107 ( 6.671 0.000 -40.051) 40.603 5.345 ( 8.224 0.000 -13.498) 15.806 6.402 ( -1.897 0.000 -0.372) 1.933 6.510 ( 7.132 0.000 -6.014) 9.329 6.933 ( -2.245 0.000 17.407) 17.551 7.035 ( -3.281 0.000 0.814) 3.380 7.092 ( 1.706 0.000 5.269) 5.538 7.387 ( -19.652 0.000 15.868) 25.258 7.481 ( -4.611 0.000 10.257) 11.246 8.307 ( -7.949 0.000 -8.443) 11.597 8.949 ( 0.404 0.000 1.503) 1.556 9.090 ( 3.659 0.000 -4.799) 6.035 9.811 ( 1.743 0.000 -0.083) 1.745 10.121 ( 21.080 0.000 -22.784) 31.040 11.321 ( -5.184 0.000 2.195) 5.630 11.369 ( -2.711 0.000 -0.226) 2.721 11.393 ( -0.914 0.000 0.277) 0.955 11.557 ( -5.795 0.000 -2.168) 6.187 12.240 ( -0.489 0.000 -3.276) 3.313 12.244 ( -0.045 0.000 -3.404) 3.404 13.026 ( 0.192 0.000 8.076) 8.078 13.061 ( -8.502 0.000 14.761) 17.034 13.264 ( 5.915 0.000 3.004) 6.634 14.125 ( -0.115 0.000 -20.269) 20.270 15.334 ( -10.671 0.000 21.847) 24.314 16.018 ( -57.226 0.000 51.720) 77.135 16.311 ( -15.946 0.000 -7.259) 17.520 16.781 ( -28.997 0.000 3.245) 29.178 17.421 ( 17.029 0.000 0.015) 17.029 17.543 ( 23.010 0.000 -3.369) 23.255 17.888 ( 2.067 0.000 4.220) 4.699 17.958 ( -4.568 0.000 3.086) 5.513 18.205 ( -3.005 0.000 -2.158) 3.699 18.319 ( 6.687 0.000 -5.947) 8.949 19.199 ( 33.331 0.000 4.623) 33.650 20.331 ( 46.444 0.000 -43.999) 63.976 22.043 ( -9.896 0.000 1.263) 9.976 22.071 ( -2.927 0.000 2.767) 4.028 22.275 ( -3.934 0.000 -1.652) 4.267 22.546 ( -1.786 0.000 -3.946) 4.332 ======================= Grid point 123 (24/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 22.776 0.000 19.778) 30.165 1.811 ( 33.530 0.000 5.844) 34.036 2.096 ( 8.964 0.000 -1.184) 9.042 2.129 ( 10.778 0.000 -0.034) 10.779 2.382 ( 35.093 0.000 27.647) 44.675 2.790 ( 10.324 0.000 -6.565) 12.235 2.929 ( 16.922 0.000 -7.184) 18.384 3.397 ( -5.840 0.000 16.421) 17.429 3.617 ( 20.173 0.000 5.758) 20.979 3.942 ( -7.165 0.000 2.209) 7.498 3.972 ( -4.908 0.000 1.601) 5.162 4.240 ( 8.578 0.000 -9.583) 12.861 4.652 ( -8.926 0.000 -16.385) 18.658 4.679 ( 2.153 0.000 3.448) 4.065 5.291 ( 10.661 0.000 -34.846) 36.441 5.439 ( 0.734 0.000 -8.624) 8.656 6.323 ( -6.308 0.000 0.555) 6.332 6.627 ( 2.067 0.000 -9.298) 9.525 6.886 ( -2.052 0.000 10.349) 10.551 6.929 ( -5.840 0.000 2.766) 6.462 7.107 ( -0.904 0.000 8.434) 8.483 7.141 ( -5.167 0.000 11.090) 12.235 7.376 ( -4.435 0.000 7.542) 8.750 8.082 ( -13.310 0.000 -7.220) 15.142 8.957 ( 0.275 0.000 1.503) 1.528 9.091 ( -2.289 0.000 -1.752) 2.882 9.871 ( 4.304 0.000 1.711) 4.632 10.445 ( 10.735 0.000 -22.577) 24.999 11.180 ( -8.188 0.000 1.591) 8.341 11.299 ( -3.904 0.000 -0.550) 3.942 11.360 ( -2.108 0.000 1.025) 2.344 11.409 ( -7.862 0.000 -1.252) 7.961 12.221 ( -1.280 0.000 -2.632) 2.926 12.238 ( -0.625 0.000 -3.030) 3.094 12.959 ( -1.504 0.000 15.659) 15.731 13.032 ( 0.321 0.000 7.106) 7.114 13.414 ( 8.046 0.000 1.857) 8.258 14.102 ( -2.112 0.000 -15.712) 15.854 15.043 ( -13.295 0.000 19.244) 23.390 15.436 ( -12.184 0.000 22.757) 25.813 15.972 ( -16.871 0.000 -5.295) 17.682 16.150 ( -28.970 0.000 -1.653) 29.017 17.809 ( -2.529 0.000 1.646) 3.018 17.842 ( 6.185 0.000 -0.191) 6.188 17.925 ( 18.146 0.000 2.547) 18.324 18.117 ( 27.903 0.000 -3.765) 28.156 18.340 ( 10.806 0.000 -0.828) 10.838 18.470 ( 7.440 0.000 -4.430) 8.659 19.849 ( 28.943 0.000 8.116) 30.060 20.762 ( 4.088 0.000 -14.808) 15.362 21.750 ( -18.102 0.000 2.216) 18.237 21.978 ( -6.060 0.000 1.816) 6.326 22.215 ( -1.744 0.000 -6.563) 6.791 22.494 ( -3.171 0.000 -4.366) 5.396 ======================= Grid point 124 (25/63) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 19.157 0.000 15.692) 24.763 2.258 ( 6.917 0.000 -1.705) 7.124 2.356 ( 10.862 0.000 0.570) 10.877 2.449 ( 27.594 0.000 0.238) 27.595 2.950 ( 19.659 0.000 1.136) 19.692 3.010 ( 5.886 0.000 -3.773) 6.992 3.338 ( 4.587 0.000 14.780) 15.476 3.448 ( 31.509 0.000 7.860) 32.475 3.787 ( -7.197 0.000 4.241) 8.354 3.852 ( -6.528 0.000 2.827) 7.114 4.019 ( 15.910 0.000 3.232) 16.235 4.357 ( 1.712 0.000 -4.823) 5.118 4.441 ( -8.833 0.000 -10.783) 13.939 4.758 ( 5.900 0.000 3.025) 6.630 5.391 ( -5.024 0.000 -5.747) 7.633 5.517 ( 10.069 0.000 -29.252) 30.937 6.131 ( -11.726 0.000 0.411) 11.733 6.550 ( -8.145 0.000 -9.961) 12.867 6.851 ( -2.550 0.000 1.983) 3.230 6.851 ( -1.504 0.000 5.970) 6.156 7.054 ( -3.139 0.000 9.796) 10.287 7.114 ( 1.417 0.000 6.914) 7.058 7.331 ( -0.100 0.000 3.596) 3.597 7.788 ( -14.388 0.000 -5.344) 15.349 8.953 ( -0.761 0.000 1.007) 1.262 9.023 ( -3.806 0.000 -0.461) 3.834 9.993 ( 7.585 0.000 3.281) 8.264 10.599 ( 4.579 0.000 -15.963) 16.606 10.997 ( -9.037 0.000 1.892) 9.233 11.190 ( -7.157 0.000 -3.081) 7.792 11.283 ( -3.211 0.000 1.568) 3.573 11.317 ( -1.874 0.000 1.404) 2.342 12.190 ( -1.633 0.000 -2.284) 2.808 12.215 ( -1.540 0.000 -2.836) 3.228 12.965 ( 1.275 0.000 11.192) 11.264 13.037 ( 0.050 0.000 6.537) 6.537 13.577 ( 7.497 0.000 0.445) 7.510 14.041 ( -3.820 0.000 -9.888) 10.600 14.868 ( -3.897 0.000 6.547) 7.619 15.270 ( -5.100 0.000 14.727) 15.585 15.554 ( -21.606 0.000 -6.329) 22.513 15.717 ( -14.368 0.000 -0.109) 14.368 17.766 ( -1.281 0.000 1.903) 2.294 17.807 ( -2.070 0.000 1.184) 2.385 18.540 ( 33.033 0.000 0.658) 33.039 18.556 ( 9.366 0.000 -1.968) 9.571 18.613 ( 6.356 0.000 -3.710) 7.359 18.725 ( 29.979 0.000 -4.137) 30.263 20.374 ( 21.384 0.000 6.221) 22.271 20.677 ( -10.434 0.000 -1.766) 10.583 21.320 ( -22.585 0.000 5.449) 23.233 21.819 ( -9.489 0.000 2.533) 9.822 22.201 ( 0.233 0.000 -8.567) 8.570 22.419 ( -3.903 0.000 -4.907) 6.270 ======================= Grid point 125 (26/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 11.931 0.000 6.429) 13.553 2.368 ( 3.862 0.000 -4.989) 6.309 2.562 ( 8.946 0.000 3.626) 9.653 2.884 ( 1.513 0.000 5.315) 5.526 3.037 ( 14.226 0.000 2.176) 14.392 3.283 ( 13.595 0.000 -5.440) 14.643 3.597 ( 13.734 0.000 0.849) 13.760 3.656 ( -5.698 0.000 5.519) 7.932 3.707 ( -7.019 0.000 3.121) 7.682 3.960 ( -0.819 0.000 -2.130) 2.282 4.089 ( 9.466 0.000 10.072) 13.823 4.326 ( -3.282 0.000 5.162) 6.117 4.577 ( 20.316 0.000 -2.025) 20.417 4.904 ( 7.461 0.000 -0.419) 7.473 5.249 ( -8.030 0.000 -3.396) 8.718 5.547 ( -12.619 0.000 -10.647) 16.510 5.985 ( 2.999 0.000 -13.462) 13.792 6.357 ( -9.906 0.000 -14.093) 17.226 6.801 ( -2.001 0.000 3.327) 3.882 6.811 ( -2.223 0.000 5.284) 5.733 7.033 ( 1.613 0.000 7.578) 7.748 7.145 ( 0.284 0.000 5.706) 5.713 7.348 ( 1.385 0.000 1.244) 1.862 7.525 ( -10.215 0.000 -3.267) 10.725 8.929 ( -1.275 0.000 0.494) 1.367 8.951 ( -2.878 0.000 0.090) 2.879 10.180 ( 10.325 0.000 3.132) 10.790 10.601 ( -5.842 0.000 -6.979) 9.102 10.870 ( -1.269 0.000 -0.916) 1.565 11.039 ( -6.832 0.000 -3.493) 7.673 11.254 ( -0.186 0.000 1.635) 1.645 11.285 ( -1.256 0.000 1.317) 1.820 12.161 ( -0.949 0.000 -2.311) 2.498 12.180 ( -1.641 0.000 -2.732) 3.187 12.994 ( 1.364 0.000 8.365) 8.475 13.033 ( -0.456 0.000 6.528) 6.544 13.719 ( 6.300 0.000 -1.075) 6.391 13.949 ( -4.971 0.000 -5.468) 7.390 14.862 ( 2.789 0.000 -1.151) 3.018 15.186 ( -13.929 0.000 -5.599) 15.012 15.219 ( 0.341 0.000 10.283) 10.289 15.463 ( -10.556 0.000 2.179) 10.779 17.753 ( -0.080 0.000 1.738) 1.740 17.775 ( -1.129 0.000 1.374) 1.778 18.706 ( 4.942 0.000 -3.143) 5.857 18.718 ( 3.724 0.000 -3.588) 5.171 19.240 ( 33.870 0.000 -0.487) 33.874 19.328 ( 27.817 0.000 -2.672) 27.945 20.377 ( -17.830 0.000 1.313) 17.878 20.551 ( -14.585 0.000 -5.748) 15.677 21.022 ( 4.810 0.000 16.360) 17.053 21.588 ( -12.875 0.000 5.138) 13.862 22.221 ( 1.684 0.000 -7.997) 8.173 22.339 ( -3.782 0.000 -5.676) 6.821 ======================= Grid point 126 (27/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -1.845 0.000 -5.139) 5.461 2.399 ( 1.845 0.000 -5.139) 5.461 2.739 ( -8.718 0.000 10.448) 13.608 2.739 ( 8.718 0.000 10.448) 13.608 3.437 ( -16.876 0.000 2.315) 17.034 3.437 ( 16.876 0.000 2.315) 17.034 3.522 ( -9.390 0.000 -1.228) 9.470 3.522 ( 9.390 0.000 -1.228) 9.470 3.805 ( -5.790 0.000 -6.645) 8.814 3.805 ( 5.790 0.000 -6.645) 8.814 4.269 ( -3.124 0.000 14.224) 14.563 4.269 ( 3.124 0.000 14.224) 14.563 5.012 ( -5.954 0.000 -1.404) 6.118 5.012 ( 5.954 0.000 -1.404) 6.118 5.156 ( -12.145 0.000 -2.528) 12.405 5.156 ( 12.145 0.000 -2.528) 12.405 6.151 ( -9.918 0.000 -17.848) 20.419 6.151 ( 9.918 0.000 -17.848) 20.419 6.781 ( -0.297 0.000 4.772) 4.782 6.781 ( 0.297 0.000 4.772) 4.782 7.101 ( -3.928 0.000 5.849) 7.046 7.101 ( 3.928 0.000 5.849) 7.046 7.390 ( -3.302 0.000 -0.853) 3.411 7.390 ( 3.302 0.000 -0.853) 3.411 8.916 ( -0.358 0.000 0.282) 0.455 8.916 ( 0.358 0.000 0.282) 0.455 10.406 ( -11.157 0.000 0.563) 11.172 10.406 ( 11.157 0.000 0.563) 11.172 10.919 ( -4.621 0.000 -3.713) 5.928 10.919 ( 4.621 0.000 -3.713) 5.928 11.263 ( -0.843 0.000 1.358) 1.599 11.263 ( 0.843 0.000 1.358) 1.599 12.157 ( -0.523 0.000 -2.531) 2.584 12.157 ( 0.523 0.000 -2.531) 2.584 13.018 ( -0.966 0.000 7.062) 7.128 13.018 ( 0.966 0.000 7.062) 7.128 13.840 ( -5.532 0.000 -2.876) 6.234 13.840 ( 5.532 0.000 -2.876) 6.234 14.969 ( -7.543 0.000 -4.291) 8.678 14.969 ( 7.543 0.000 -4.291) 8.678 15.288 ( -6.191 0.000 5.892) 8.547 15.288 ( 6.191 0.000 5.892) 8.547 17.758 ( -0.522 0.000 1.561) 1.646 17.758 ( 0.522 0.000 1.561) 1.646 18.757 ( -0.121 0.000 -3.561) 3.563 18.757 ( 0.121 0.000 -3.561) 3.563 19.772 ( -1.796 0.000 -2.490) 3.070 19.772 ( 1.796 0.000 -2.490) 3.070 20.096 ( -9.702 0.000 0.314) 9.707 20.096 ( 9.702 0.000 0.314) 9.707 21.294 ( -15.257 0.000 9.655) 18.055 21.294 ( 15.257 0.000 9.655) 18.055 22.269 ( -2.924 0.000 -6.759) 7.364 22.269 ( 2.924 0.000 -6.759) 7.364 ======================= Grid point 133 (28/63) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 11.256 11.256 19.996) 25.558 1.364 ( 15.990 15.990 30.084) 37.635 1.824 ( -1.725 -1.725 -2.146) 3.249 2.063 ( 28.384 28.384 26.689) 48.204 2.152 ( 13.508 13.508 0.732) 19.117 2.641 ( 1.835 1.835 -8.391) 8.783 2.799 ( 9.300 9.300 -6.996) 14.897 3.394 ( 12.807 12.807 6.905) 19.384 3.473 ( -3.256 -3.256 17.218) 17.823 3.936 ( -6.985 -6.985 2.142) 10.108 4.104 ( 3.416 3.416 -4.251) 6.435 4.160 ( 6.030 6.030 -6.896) 10.967 4.714 ( -3.617 -3.617 -17.944) 18.659 4.715 ( 3.505 3.505 3.101) 5.847 5.121 ( 2.642 2.642 -38.394) 38.575 5.444 ( 5.943 5.943 -11.582) 14.310 6.447 ( 1.086 1.086 -0.586) 1.644 6.488 ( 0.164 0.164 -8.068) 8.072 6.894 ( -3.671 -3.671 12.350) 13.397 7.023 ( -2.412 -2.412 1.806) 3.859 7.089 ( -0.015 -0.015 8.723) 8.723 7.243 ( -8.548 -8.548 15.063) 19.313 7.431 ( -4.416 -4.416 9.266) 11.174 8.231 ( -7.123 -7.123 -8.143) 12.954 8.959 ( 0.726 0.726 1.216) 1.591 9.142 ( 2.617 2.617 -3.280) 4.946 9.752 ( -2.024 -2.024 -0.468) 2.901 10.323 ( 13.225 13.225 -23.252) 29.841 11.213 ( -9.157 -9.157 1.781) 13.071 11.286 ( -4.796 -4.796 0.609) 6.810 11.431 ( 1.131 1.131 -1.135) 1.961 11.577 ( 0.295 0.295 -0.919) 1.010 12.130 ( -4.775 -4.775 -3.254) 7.496 12.358 ( 5.095 5.095 -3.081) 7.836 12.948 ( -5.876 -5.876 13.879) 16.176 13.020 ( -1.111 -1.111 8.565) 8.708 13.362 ( 6.701 6.701 3.072) 9.963 14.122 ( -0.491 -0.491 -17.587) 17.601 15.203 ( -12.203 -12.203 23.919) 29.495 15.644 ( -21.406 -21.406 35.839) 46.914 16.227 ( -9.156 -9.156 -5.675) 14.138 16.522 ( -21.765 -21.765 0.449) 30.783 17.310 ( 3.262 3.262 -0.619) 4.655 17.806 ( 0.948 0.948 1.074) 1.717 17.847 ( 1.908 1.908 2.082) 3.408 18.007 ( 24.512 24.512 -0.386) 34.667 18.328 ( 2.739 2.739 -4.685) 6.079 18.513 ( -1.515 -1.515 -1.493) 2.611 19.316 ( 25.055 25.055 5.600) 35.874 20.613 ( 12.905 12.905 -28.435) 33.788 21.941 ( -8.371 -8.371 -0.442) 11.846 22.025 ( -4.447 -4.447 2.840) 6.901 22.260 ( -1.515 -1.515 -3.313) 3.945 22.561 ( 0.672 0.672 -4.350) 4.453 ======================= Grid point 134 (29/63) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 26.987 -7.648 10.853) 30.077 1.756 ( 21.956 3.594 27.373) 35.274 1.856 ( 4.571 -10.916 0.292) 11.839 2.378 ( 10.589 12.150 -1.335) 16.172 2.681 ( 25.009 19.014 10.568) 33.146 2.742 ( 8.355 -1.795 -8.755) 12.234 3.075 ( 15.775 10.655 -2.330) 19.179 3.408 ( 0.130 2.629 16.555) 16.763 3.741 ( 19.263 11.393 4.988) 22.929 3.788 ( -6.857 -7.459 4.170) 10.956 4.115 ( -2.155 6.800 0.570) 7.156 4.329 ( 8.439 7.961 -8.933) 14.642 4.578 ( -8.691 -5.740 -12.162) 16.012 4.778 ( 2.712 7.536 1.248) 8.106 5.220 ( 5.578 -4.673 -28.719) 29.627 5.518 ( 1.899 4.392 -11.835) 12.766 6.340 ( -8.837 0.921 -3.054) 9.395 6.551 ( 1.434 -6.395 -6.652) 9.338 6.794 ( -4.849 -6.426 8.239) 11.519 6.940 ( -4.736 -2.458 3.814) 6.559 7.082 ( -0.177 0.463 9.542) 9.555 7.156 ( -1.445 0.627 8.700) 8.842 7.334 ( -3.831 -3.675 6.248) 8.199 8.028 ( -12.102 -5.136 -6.937) 14.865 8.973 ( 0.539 1.360 1.123) 1.845 9.150 ( -1.783 4.962 -0.924) 5.353 9.766 ( 3.221 -7.819 0.394) 8.466 10.551 ( 8.501 7.886 -18.526) 21.855 10.997 ( -10.913 -12.897 1.112) 16.931 11.198 ( -3.342 -5.897 1.734) 6.997 11.421 ( -2.219 4.083 -2.245) 5.161 11.546 ( -3.143 6.690 0.368) 7.401 12.049 ( -3.013 -7.706 -2.774) 8.727 12.434 ( 1.839 9.819 -2.586) 10.319 12.882 ( -0.487 -5.261 11.013) 12.215 13.000 ( -0.710 -3.093 6.073) 6.852 13.505 ( 6.994 7.034 2.832) 10.316 14.098 ( -1.970 -0.529 -11.698) 11.875 14.937 ( -10.665 -8.835 16.427) 21.486 15.338 ( -10.302 -8.231 18.064) 22.365 15.927 ( -19.878 -7.305 -6.795) 22.241 16.060 ( -19.367 -5.863 0.792) 20.250 17.564 ( 19.312 -13.514 -0.875) 23.587 17.759 ( -2.455 0.543 1.972) 3.195 17.954 ( 3.359 -0.374 3.560) 4.908 18.305 ( 0.493 3.617 -4.266) 5.614 18.534 ( 5.184 -0.055 -2.600) 5.799 18.605 ( 30.388 28.881 -2.728) 42.012 19.924 ( 28.351 9.479 8.362) 31.041 20.667 ( -6.478 -10.198 -8.133) 14.564 21.730 ( -12.039 -1.471 -1.312) 12.199 21.897 ( -7.723 -7.348 2.347) 10.915 22.222 ( -1.777 0.783 -6.662) 6.940 22.552 ( -1.665 3.890 -3.969) 5.801 ======================= Grid point 135 (30/63) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 19.891 -3.486 9.280) 22.224 1.984 ( 8.499 -16.067 1.198) 18.216 2.262 ( 25.285 -11.088 11.977) 30.096 2.554 ( 6.486 8.350 -0.645) 10.593 2.960 ( 10.231 -4.408 -6.726) 13.013 3.096 ( 14.191 8.377 -3.441) 16.835 3.195 ( 4.503 -2.571 14.427) 15.331 3.640 ( -2.270 -5.018 2.862) 6.207 3.726 ( 18.336 13.663 9.195) 24.646 4.019 ( -5.403 9.016 2.093) 10.717 4.119 ( 10.718 8.932 2.663) 14.204 4.375 ( -1.146 0.145 -1.663) 2.025 4.477 ( 0.326 6.292 -9.113) 11.078 4.865 ( 6.513 9.536 0.688) 11.569 5.252 ( -3.927 -10.158 -9.742) 14.612 5.598 ( 6.814 4.004 -22.129) 23.498 6.112 ( -12.344 -2.214 -3.718) 13.080 6.496 ( -6.316 -4.032 -7.683) 10.732 6.730 ( -1.721 -6.920 4.926) 8.667 6.835 ( -5.266 -5.376 5.418) 9.273 7.086 ( -0.630 3.489 6.894) 7.752 7.142 ( 1.279 1.634 6.827) 7.136 7.302 ( 0.373 -2.610 3.169) 4.123 7.757 ( -13.442 -3.074 -5.079) 14.695 8.976 ( -0.318 2.115 0.804) 2.285 9.085 ( -3.994 5.540 -0.123) 6.830 9.875 ( 7.135 -9.684 1.606) 12.135 10.649 ( -2.055 0.037 -10.134) 10.340 10.817 ( -2.865 -7.987 -1.611) 8.637 11.159 ( -0.327 -4.819 2.330) 5.362 11.336 ( -5.957 6.839 -3.517) 9.728 11.463 ( -4.530 8.090 1.787) 9.442 12.016 ( 0.113 -7.812 -2.287) 8.140 12.422 ( -3.069 10.645 -2.028) 11.263 12.904 ( 2.042 -4.780 7.245) 8.916 12.996 ( 0.261 -3.676 4.257) 5.631 13.642 ( 6.168 5.466 2.321) 8.562 14.041 ( -3.533 -0.132 -5.934) 6.907 14.801 ( -2.707 -5.940 4.636) 8.006 15.172 ( -6.108 -8.481 10.744) 14.989 15.507 ( -18.252 -4.604 -5.189) 19.526 15.726 ( -14.342 0.021 1.723) 14.445 17.729 ( -0.438 0.077 1.662) 1.720 17.906 ( -0.822 3.095 0.829) 3.308 18.074 ( 23.818 -20.941 0.772) 31.724 18.425 ( 8.819 -7.353 -3.425) 11.982 18.643 ( 4.753 -1.391 -2.666) 5.625 19.245 ( 30.789 28.330 -3.623) 41.996 20.293 ( -7.309 -15.753 -1.520) 17.432 20.544 ( 10.587 -0.787 10.505) 14.935 21.441 ( -16.098 7.606 0.998) 17.832 21.715 ( -9.839 -8.646 2.599) 13.353 22.201 ( -0.008 0.638 -8.300) 8.325 22.494 ( -3.805 5.119 -3.806) 7.428 ======================= Grid point 136 (31/63) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 8.008 -14.785 -1.539) 16.884 2.254 ( 9.473 -4.610 4.990) 11.657 2.602 ( 5.210 -1.107 -0.229) 5.331 2.786 ( 16.646 -9.135 4.067) 19.418 2.964 ( -2.235 -2.224 7.381) 8.026 3.387 ( 15.925 -0.041 -1.566) 16.002 3.505 ( 12.227 -2.182 4.392) 13.174 3.529 ( -2.027 -5.417 -0.053) 5.784 3.872 ( -8.106 10.032 3.981) 13.499 3.915 ( -4.285 -2.854 -3.258) 6.093 4.189 ( 5.007 8.016 7.951) 12.350 4.395 ( -5.899 5.128 3.269) 8.472 4.654 ( 17.508 7.305 -0.431) 18.975 5.039 ( 8.589 11.180 -1.270) 14.155 5.112 ( -5.883 -8.624 -3.300) 10.949 5.656 ( -8.152 7.120 -12.758) 16.731 5.951 ( 2.585 -3.201 -13.186) 13.813 6.326 ( -9.553 -2.358 -11.971) 15.496 6.702 ( -1.023 -7.185 4.005) 8.289 6.741 ( -3.513 -6.673 5.788) 9.506 7.084 ( 1.438 3.378 6.334) 7.321 7.177 ( 0.695 2.425 5.644) 6.182 7.324 ( 1.526 -2.206 1.579) 3.112 7.507 ( -9.970 -1.850 -3.147) 10.618 8.963 ( -0.695 3.137 0.455) 3.245 9.005 ( -3.289 4.931 0.076) 5.928 10.049 ( 9.511 -10.625 1.596) 14.349 10.478 ( -10.609 -11.583 -1.731) 15.802 10.887 ( 6.023 4.394 -5.509) 9.270 11.181 ( -1.082 2.164 -0.098) 2.422 11.192 ( -4.122 3.747 -1.287) 5.717 11.364 ( -4.992 4.827 2.055) 7.242 12.061 ( 4.167 -4.153 -1.945) 6.196 12.319 ( -6.464 6.949 -1.722) 9.645 12.951 ( 2.190 -3.416 5.087) 6.507 13.001 ( -0.045 -2.692 3.588) 4.486 13.758 ( 5.164 3.411 1.390) 6.343 13.956 ( -4.516 0.609 -2.309) 5.109 14.809 ( 3.067 -4.923 -2.040) 6.148 15.063 ( -6.193 -8.419 -1.492) 10.557 15.241 ( -5.615 -0.919 4.472) 7.236 15.459 ( -11.361 -0.761 3.109) 11.803 17.739 ( 1.348 0.587 1.507) 2.106 17.842 ( -3.352 4.424 1.549) 5.762 18.582 ( 10.343 -12.149 -3.553) 16.346 18.635 ( 18.249 -19.850 -2.893) 27.118 18.734 ( 9.116 -9.620 -0.499) 13.262 19.728 ( -3.249 -6.821 -3.802) 8.458 20.026 ( 7.644 2.499 0.487) 8.057 20.836 ( 5.570 10.049 2.542) 11.767 21.104 ( -10.659 8.021 8.728) 15.941 21.496 ( -11.381 -7.344 4.796) 14.369 22.227 ( 2.534 0.885 -7.522) 7.987 22.402 ( -4.939 4.484 -4.444) 8.015 ======================= Grid point 137 (32/63) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -5.023 -11.120 -3.988) 12.837 2.280 ( 5.023 -11.120 -3.988) 12.837 2.747 ( -8.663 0.524 10.583) 13.686 2.747 ( 8.663 0.524 10.583) 13.686 3.250 ( -17.622 -12.278 -1.906) 21.562 3.250 ( 17.622 -12.278 -1.906) 21.562 3.674 ( -11.254 8.271 3.143) 14.316 3.674 ( 11.254 8.271 3.143) 14.316 3.808 ( -8.242 -0.976 -3.534) 9.021 3.808 ( 8.242 -0.976 -3.534) 9.021 4.261 ( -4.694 0.020 9.743) 10.815 4.261 ( 4.694 0.020 9.743) 10.815 4.934 ( -8.987 -0.472 -0.863) 9.041 4.934 ( 8.987 -0.472 -0.863) 9.041 5.349 ( -17.139 12.034 -4.280) 21.375 5.349 ( 17.139 12.034 -4.280) 21.375 6.120 ( -10.092 -2.661 -16.363) 19.408 6.120 ( 10.092 -2.661 -16.363) 19.408 6.697 ( -0.772 -6.972 4.926) 8.572 6.697 ( 0.772 -6.972 4.926) 8.572 7.143 ( -3.452 2.921 5.774) 7.334 7.143 ( 3.452 2.921 5.774) 7.334 7.371 ( -3.547 -1.879 -0.652) 4.066 7.371 ( 3.547 -1.879 -0.652) 4.066 8.962 ( -0.857 4.124 0.229) 4.218 8.962 ( 0.857 4.124 0.229) 4.218 10.258 ( -10.552 -11.725 0.315) 15.777 10.258 ( 10.552 -11.725 0.315) 15.777 11.027 ( -7.453 7.338 -4.240) 11.285 11.027 ( 7.453 7.338 -4.240) 11.285 11.263 ( -4.597 0.784 2.129) 5.127 11.263 ( 4.597 0.784 2.129) 5.127 12.177 ( -6.744 1.443 -1.734) 7.111 12.177 ( 6.744 1.443 -1.734) 7.111 12.988 ( -1.276 -2.419 3.975) 4.825 12.988 ( 1.276 -2.419 3.975) 4.825 13.860 ( -4.791 1.719 -0.145) 5.092 13.860 ( 4.791 1.719 -0.145) 5.092 14.913 ( -6.762 -5.182 -4.986) 9.871 14.913 ( 6.762 -5.182 -4.986) 9.871 15.271 ( -6.432 -1.789 5.918) 8.921 15.271 ( 6.432 -1.789 5.918) 8.921 17.780 ( -2.562 2.183 1.493) 3.682 17.780 ( 2.562 2.183 1.493) 3.682 18.690 ( -2.539 -6.367 -3.727) 7.803 18.690 ( 2.539 -6.367 -3.727) 7.803 19.260 ( -28.175 -31.681 -0.404) 42.400 19.260 ( 28.175 -31.681 -0.404) 42.400 20.506 ( -25.066 22.071 -1.884) 33.452 20.506 ( 25.066 22.071 -1.884) 33.452 21.247 ( -12.587 -3.826 9.136) 16.017 21.247 ( 12.587 -3.826 9.136) 16.017 22.302 ( -4.498 2.605 -5.842) 7.820 22.302 ( 4.498 2.605 -5.842) 7.820 ======================= Grid point 145 (33/63) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.857 8.857 11.137) 16.761 1.684 ( -5.269 -5.269 1.688) 7.640 1.933 ( 11.279 11.279 27.337) 31.651 2.582 ( 6.992 6.992 -1.316) 9.976 2.745 ( 2.785 2.785 -10.288) 11.016 3.033 ( 14.280 14.280 -2.105) 20.304 3.178 ( -0.065 -0.065 10.465) 10.466 3.599 ( 4.893 4.893 2.806) 7.467 3.701 ( 7.977 7.977 10.484) 15.401 4.046 ( 16.328 16.328 2.886) 23.271 4.224 ( 3.688 3.688 2.105) 5.624 4.426 ( -7.517 -7.517 -5.662) 12.044 4.531 ( 10.122 10.122 -7.694) 16.251 4.956 ( 8.803 8.803 1.641) 12.557 5.116 ( -5.520 -5.520 -20.527) 21.961 5.572 ( 1.451 1.451 -14.758) 14.900 6.251 ( -10.409 -10.409 -11.904) 18.932 6.475 ( -0.145 -0.145 -0.352) 0.407 6.667 ( -5.161 -5.161 7.044) 10.143 6.830 ( -6.982 -6.982 5.776) 11.439 7.128 ( 2.867 2.867 5.693) 6.990 7.168 ( 0.442 0.442 7.709) 7.734 7.251 ( -3.426 -3.426 3.616) 6.046 7.876 ( -9.379 -9.379 -5.866) 14.503 9.005 ( 1.491 1.491 0.828) 2.265 9.247 ( 2.995 2.995 0.204) 4.240 9.631 ( -3.701 -3.701 0.078) 5.235 10.707 ( 6.634 6.634 -12.990) 16.024 10.718 ( -13.416 -13.416 0.871) 18.993 11.111 ( -2.230 -2.230 2.786) 4.208 11.472 ( 0.644 0.644 -3.228) 3.354 11.633 ( 1.563 1.563 0.790) 2.347 11.917 ( -4.903 -4.903 -2.038) 7.227 12.615 ( 6.758 6.758 -2.506) 9.880 12.796 ( -2.835 -2.835 6.185) 7.371 12.926 ( -3.096 -3.096 2.095) 4.854 13.652 ( 6.676 6.676 3.033) 9.917 14.075 ( -1.767 -1.767 -3.190) 4.053 14.754 ( -7.495 -7.495 8.186) 13.393 15.145 ( -9.709 -9.709 11.365) 17.824 15.667 ( -15.090 -15.090 -6.610) 22.340 15.924 ( -9.148 -9.148 2.446) 13.166 17.453 ( 2.980 2.980 -0.475) 4.242 17.799 ( 0.466 0.466 2.609) 2.690 17.929 ( 1.641 1.641 2.270) 3.246 18.435 ( 2.006 2.006 -4.328) 5.174 18.441 ( -1.769 -1.769 -1.777) 3.068 19.216 ( 29.377 29.377 -4.025) 41.741 20.171 ( 2.182 2.182 2.179) 3.778 20.403 ( -4.481 -4.481 7.065) 9.491 21.661 ( -7.145 -7.145 -1.593) 10.230 21.735 ( -6.365 -6.365 -0.103) 9.003 22.228 ( -0.440 -0.440 -6.147) 6.179 22.602 ( 0.495 0.495 -3.224) 3.299 ======================= Grid point 146 (34/63) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 2.002 -15.427 2.178) 15.708 1.743 ( 22.311 -10.035 5.240) 25.018 2.163 ( 9.829 -0.513 18.369) 20.840 2.653 ( 0.692 1.646 1.986) 2.671 2.866 ( 8.732 -3.744 -9.919) 13.735 3.086 ( -2.613 -2.472 11.635) 12.178 3.384 ( 14.164 11.908 2.365) 18.656 3.534 ( -4.330 -3.925 -0.225) 5.849 3.919 ( 1.868 1.765 -1.269) 2.866 4.191 ( -2.197 7.297 2.617) 8.058 4.325 ( 3.158 10.977 6.693) 13.239 4.469 ( 14.956 9.192 4.349) 18.085 4.675 ( 1.566 11.729 -7.447) 13.982 4.983 ( -2.810 -10.070 -9.065) 13.837 5.147 ( 7.798 12.615 0.255) 14.833 5.632 ( 5.554 -0.795 -19.129) 19.935 6.023 ( -10.440 -6.197 -13.569) 18.207 6.442 ( -4.222 -0.895 -2.060) 4.782 6.587 ( -2.811 -6.589 4.930) 8.697 6.685 ( -6.480 -8.140 6.368) 12.199 7.144 ( -1.946 1.204 6.282) 6.686 7.182 ( 2.281 2.220 4.320) 5.366 7.238 ( 1.480 -2.747 3.365) 4.589 7.658 ( -11.201 -6.544 -4.262) 13.655 9.030 ( 0.896 2.780 0.599) 2.982 9.229 ( -4.057 7.949 0.309) 8.930 9.656 ( 5.491 -10.756 0.593) 12.091 10.447 ( -12.496 -13.653 0.347) 18.511 10.837 ( 6.092 3.965 -8.472) 11.163 11.112 ( 2.312 0.725 3.194) 4.009 11.436 ( -4.400 3.237 -4.142) 6.855 11.608 ( -3.858 5.292 1.416) 6.700 11.873 ( 1.394 -6.420 -1.103) 6.662 12.611 ( -7.182 5.792 0.590) 9.245 12.815 ( 4.351 -2.399 1.124) 5.094 12.912 ( 1.583 -3.347 -1.679) 4.066 13.769 ( 4.505 6.267 3.685) 8.553 14.027 ( -2.732 -1.310 2.642) 4.020 14.657 ( -1.917 -7.301 0.931) 7.606 14.971 ( -6.510 -9.894 3.760) 12.426 15.372 ( -12.696 -8.112 -2.499) 15.272 15.685 ( -13.163 -4.528 2.913) 14.222 17.654 ( 15.182 -13.053 -0.803) 20.038 17.777 ( -0.841 4.112 1.819) 4.575 17.995 ( 1.618 -0.998 3.645) 4.111 18.347 ( -0.351 0.549 -4.052) 4.104 18.553 ( 3.896 -6.473 -2.849) 8.074 19.664 ( -7.819 -9.711 -4.966) 13.420 19.927 ( 9.535 6.390 -0.167) 11.479 20.665 ( 16.069 8.772 13.263) 22.607 21.462 ( -10.768 -8.227 -0.452) 13.559 21.603 ( -7.936 0.949 -0.204) 7.995 22.217 ( -0.019 0.526 -6.169) 6.191 22.570 ( -3.391 1.656 -2.793) 4.695 ======================= Grid point 147 (35/63) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 8.299 -20.601 0.745) 22.223 2.105 ( 2.764 -10.809 0.541) 11.169 2.365 ( 16.667 -18.776 -0.380) 25.109 2.709 ( 6.644 0.797 12.953) 14.579 2.936 ( -4.761 -1.515 6.393) 8.113 3.191 ( 12.736 -11.790 1.847) 17.454 3.335 ( -10.297 -11.450 -1.865) 15.512 3.690 ( 11.288 10.345 3.017) 15.606 3.885 ( -2.880 -0.725 -2.179) 3.683 4.079 ( -8.173 9.417 5.021) 13.442 4.313 ( -5.035 0.188 9.473) 10.730 4.502 ( -7.302 7.791 -3.537) 11.249 4.856 ( 13.501 11.490 -1.929) 17.832 5.023 ( 3.827 3.532 -2.601) 5.821 5.327 ( 10.171 14.244 -3.906) 17.933 5.765 ( -1.370 2.815 -16.503) 16.798 5.861 ( 2.110 -5.136 -12.637) 13.803 6.296 ( -9.521 0.083 -5.556) 11.024 6.544 ( -1.341 -7.610 4.223) 8.805 6.580 ( -3.563 -8.119 5.672) 10.525 7.130 ( 1.027 0.797 5.163) 5.324 7.224 ( 1.016 1.616 5.092) 5.438 7.265 ( 1.122 -3.123 3.169) 4.588 7.442 ( -8.906 -4.476 -2.614) 10.305 9.044 ( 0.645 4.254 0.376) 4.319 9.134 ( -4.331 7.015 0.134) 8.245 9.808 ( 8.546 -11.923 0.729) 14.687 10.206 ( -10.910 -13.647 0.229) 17.473 10.971 ( 7.121 2.887 -6.078) 9.797 11.197 ( 5.635 3.817 3.111) 7.483 11.302 ( -7.876 3.433 -4.597) 9.744 11.490 ( -7.127 6.505 2.127) 9.881 11.976 ( 8.037 -4.866 -0.464) 9.407 12.413 ( -11.063 0.831 0.707) 11.117 12.901 ( 3.511 -0.241 -1.141) 3.700 12.951 ( 1.357 -1.281 -1.982) 2.722 13.842 ( 2.907 4.425 4.836) 7.170 13.966 ( -3.147 0.223 3.829) 4.962 14.670 ( 3.011 -8.382 -2.267) 9.190 14.874 ( -4.021 -9.329 -5.356) 11.484 15.180 ( -4.568 -4.494 4.580) 7.877 15.417 ( -12.113 -3.483 3.333) 13.037 17.786 ( 1.748 3.772 1.411) 4.390 17.917 ( -0.755 -0.171 0.204) 0.801 18.085 ( 18.743 -20.476 1.559) 27.803 18.422 ( 5.788 -7.695 -4.012) 10.431 18.592 ( -0.087 -7.869 -2.486) 8.253 19.168 ( -27.545 -31.921 -0.128) 42.163 20.405 ( 24.601 19.359 -3.748) 31.528 20.954 ( 11.923 3.497 11.379) 16.848 21.218 ( -13.511 -1.791 -2.051) 13.782 21.404 ( -10.756 2.196 4.250) 11.771 22.248 ( 3.289 0.849 -5.592) 6.543 22.472 ( -5.800 1.752 -3.117) 6.814 ======================= Grid point 148 (36/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -10.699 -19.042 -1.550) 21.897 1.964 ( 10.699 -19.042 -1.550) 21.897 2.723 ( -12.440 -5.590 5.138) 14.574 2.723 ( 12.440 -5.590 5.138) 14.574 2.980 ( -15.239 -11.464 2.237) 19.201 2.980 ( 15.239 -11.464 2.237) 19.201 3.610 ( -19.250 -13.332 3.476) 23.673 3.610 ( 19.250 -13.332 3.476) 23.673 3.912 ( -7.898 10.139 5.904) 14.143 3.912 ( 7.898 10.139 5.904) 14.143 4.338 ( -7.407 8.021 -0.750) 10.944 4.338 ( 7.407 8.021 -0.750) 10.944 5.038 ( -3.673 9.259 -1.190) 10.032 5.038 ( 3.673 9.259 -1.190) 10.032 5.565 ( -12.091 7.655 -9.164) 16.993 5.565 ( 12.091 7.655 -9.164) 16.993 6.071 ( -11.807 -1.078 -10.540) 15.864 6.071 ( 11.807 -1.078 -10.540) 15.864 6.537 ( -0.747 -7.887 4.774) 9.250 6.537 ( 0.747 -7.887 4.774) 9.250 7.185 ( -3.684 0.736 5.271) 6.473 7.185 ( 3.684 0.736 5.271) 6.473 7.315 ( -3.761 -3.371 0.425) 5.069 7.315 ( 3.761 -3.371 0.425) 5.069 9.068 ( -2.006 5.684 0.192) 6.031 9.068 ( 2.006 5.684 0.192) 6.031 9.996 ( -9.617 -12.882 0.425) 16.082 9.996 ( 9.617 -12.882 0.425) 16.082 11.131 ( -8.269 2.881 -5.083) 10.125 11.131 ( 8.269 2.881 -5.083) 10.125 11.335 ( -7.406 5.900 2.792) 9.871 11.335 ( 7.406 5.900 2.792) 9.871 12.179 ( -11.132 -2.203 0.108) 11.349 12.179 ( 11.132 -2.203 0.108) 11.349 12.952 ( -1.319 -0.196 -1.738) 2.191 12.952 ( 1.319 -0.196 -1.738) 2.191 13.901 ( -3.028 2.150 4.580) 5.896 13.901 ( 3.028 2.150 4.580) 5.896 14.767 ( -5.825 -8.704 -5.571) 11.863 14.767 ( 5.825 -8.704 -5.571) 11.863 15.213 ( -6.887 -3.625 5.024) 9.264 15.213 ( 6.887 -3.625 5.024) 9.264 17.845 ( -3.739 3.739 1.345) 5.456 17.845 ( 3.739 3.739 1.345) 5.456 18.487 ( -7.374 -16.332 -4.825) 18.558 18.487 ( 7.374 -16.332 -4.825) 18.558 18.643 ( -17.535 -23.194 1.863) 29.136 18.643 ( 17.535 -23.194 1.863) 29.136 20.868 ( -19.775 11.542 -4.008) 23.246 20.868 ( 19.775 11.542 -4.008) 23.246 21.186 ( -10.261 -0.373 8.818) 13.534 21.186 ( 10.261 -0.373 8.818) 13.534 22.347 ( -5.906 1.318 -4.206) 7.369 22.347 ( 5.906 1.318 -4.206) 7.369 ======================= Grid point 157 (37/63) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -8.982 -8.982 3.244) 13.110 1.664 ( 4.321 4.321 6.733) 9.093 2.102 ( -7.403 -7.403 6.775) 12.470 2.679 ( 2.388 2.388 13.865) 14.270 2.834 ( 1.267 1.267 -13.431) 13.550 3.032 ( -3.428 -3.428 12.995) 13.870 3.339 ( -11.808 -11.808 -2.418) 16.873 3.681 ( 11.811 11.811 2.391) 16.873 3.908 ( -0.914 -0.914 -1.788) 2.206 4.285 ( 1.566 1.566 4.946) 5.419 4.389 ( -8.661 -8.661 11.042) 16.491 4.670 ( 9.560 9.560 0.932) 13.552 4.860 ( 6.783 6.783 -11.849) 15.245 4.973 ( 12.195 12.195 -3.331) 17.566 5.456 ( 14.395 14.395 0.196) 20.359 5.597 ( -0.556 -0.556 -17.075) 17.093 5.891 ( -6.121 -6.121 -18.158) 20.115 6.419 ( -2.518 -2.518 -0.290) 3.573 6.471 ( -4.444 -4.444 4.096) 7.501 6.529 ( -6.407 -6.407 5.920) 10.823 7.149 ( -1.817 -1.817 0.897) 2.722 7.166 ( 0.038 0.038 7.944) 7.944 7.251 ( 1.535 1.535 4.782) 5.252 7.496 ( -8.694 -8.694 -3.084) 12.676 9.083 ( 2.313 2.313 0.419) 3.298 9.379 ( 3.058 3.058 0.675) 4.378 9.468 ( -3.854 -3.854 0.241) 5.456 10.174 ( -12.490 -12.490 0.832) 17.683 10.918 ( 4.425 4.425 -6.178) 8.794 11.179 ( 5.126 5.126 2.745) 7.752 11.472 ( -0.683 -0.683 -5.181) 5.270 11.666 ( -0.121 -0.121 1.729) 1.737 11.762 ( -2.433 -2.433 0.215) 3.448 12.557 ( -8.847 -8.847 3.180) 12.909 12.876 ( 5.582 5.582 -2.625) 8.319 12.894 ( 1.719 1.719 -6.292) 6.745 13.884 ( 4.447 4.447 3.562) 7.228 13.991 ( -1.818 -1.818 8.845) 9.211 14.524 ( -5.007 -5.007 0.241) 7.085 14.801 ( -6.267 -6.267 -5.021) 10.186 15.196 ( -8.107 -8.107 1.968) 11.633 15.535 ( -9.633 -9.633 2.348) 13.824 17.521 ( 0.230 0.230 -0.157) 0.361 17.860 ( 2.396 2.396 2.097) 3.984 17.963 ( 0.025 0.025 2.371) 2.371 18.380 ( -1.125 -1.125 -2.091) 2.628 18.426 ( -2.806 -2.806 -4.505) 6.003 19.117 ( -29.751 -29.751 -0.067) 42.075 20.343 ( 21.141 21.141 -4.550) 30.242 20.849 ( 8.623 8.623 13.162) 17.942 21.280 ( -8.164 -8.164 0.339) 11.550 21.594 ( -2.871 -2.871 -1.931) 4.496 22.225 ( 0.606 0.606 -4.393) 4.476 22.557 ( -2.792 -2.792 -2.307) 4.573 ======================= Grid point 158 (38/63) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 3.545 -20.473 2.584) 20.938 1.822 ( -9.924 -16.130 0.195) 18.939 1.958 ( 14.292 -18.270 3.132) 23.407 2.750 ( 2.319 1.627 13.093) 13.396 2.860 ( -9.413 -8.207 -0.459) 12.497 2.948 ( 1.331 -10.423 -5.735) 11.971 3.097 ( -4.444 -8.630 7.825) 12.468 3.686 ( -16.780 -14.868 4.857) 22.940 3.940 ( 8.606 9.281 8.309) 15.141 4.248 ( -4.157 6.824 6.336) 10.198 4.345 ( 7.155 6.972 -0.561) 10.006 4.727 ( -4.016 12.006 -3.452) 13.122 5.076 ( 11.377 8.191 -8.166) 16.224 5.207 ( 8.344 12.004 -2.128) 14.774 5.548 ( 1.174 4.199 -11.111) 11.936 5.764 ( -6.171 -3.548 -16.603) 18.065 5.815 ( 15.088 5.009 -4.532) 16.531 6.315 ( -7.585 0.829 -1.045) 7.701 6.406 ( -1.860 -5.416 3.647) 6.789 6.431 ( -3.215 -5.931 4.771) 8.263 7.122 ( 0.162 -1.379 2.019) 2.450 7.192 ( 1.929 -2.374 6.149) 6.868 7.252 ( -1.870 -0.066 5.555) 5.862 7.326 ( -6.741 -6.440 -1.419) 9.431 9.127 ( 2.069 3.637 0.288) 4.194 9.274 ( -6.030 6.180 0.283) 8.639 9.582 ( 7.837 -9.476 0.635) 12.314 9.939 ( -10.237 -11.917 0.802) 15.731 11.034 ( 6.872 4.018 -5.173) 9.493 11.305 ( 6.821 5.831 2.320) 9.269 11.375 ( -7.777 3.918 -5.037) 10.060 11.592 ( -5.723 3.211 1.682) 6.775 11.843 ( 8.718 -7.758 0.684) 11.690 12.331 ( -12.373 -8.111 1.780) 14.901 12.944 ( 3.032 3.356 -5.975) 7.494 12.975 ( 2.885 3.687 -3.420) 5.798 13.933 ( 0.604 4.012 6.895) 8.000 13.968 ( -0.608 0.438 6.857) 6.898 14.480 ( 1.330 -9.313 0.025) 9.408 14.692 ( -5.302 -8.390 -9.244) 13.563 15.081 ( -1.918 -4.343 5.010) 6.902 15.318 ( -10.561 -5.955 1.646) 12.235 17.647 ( 11.341 -13.613 -0.520) 17.726 17.877 ( 0.773 4.257 1.389) 4.544 17.981 ( -0.266 -1.449 3.305) 3.619 18.313 ( -3.216 -4.260 -5.203) 7.454 18.417 ( -2.280 -8.837 -2.581) 9.485 18.551 ( -21.952 -24.737 2.081) 33.138 20.720 ( 14.805 10.486 -4.458) 18.682 21.017 ( 6.569 2.103 7.133) 9.922 21.140 ( -3.993 -1.557 3.409) 5.477 21.480 ( -8.093 2.452 -0.064) 8.457 22.260 ( 3.066 0.422 -3.497) 4.670 22.468 ( -5.452 -2.020 -2.318) 6.259 ======================= Grid point 159 (39/63) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -14.094 -23.700 0.608) 27.581 1.517 ( 14.094 -23.700 0.608) 27.581 2.415 ( -23.977 -21.121 -2.255) 32.032 2.415 ( 23.977 -21.121 -2.255) 32.032 2.881 ( -5.393 -0.811 8.151) 9.807 2.881 ( 5.393 -0.811 8.151) 9.807 3.300 ( -17.342 -14.636 5.693) 23.396 3.300 ( 17.342 -14.636 5.693) 23.396 4.118 ( -7.929 9.285 8.637) 14.956 4.118 ( 7.929 9.285 8.637) 14.956 4.559 ( -10.895 12.496 -4.855) 17.275 4.559 ( 10.895 12.496 -4.855) 17.275 5.251 ( -4.311 9.679 -4.438) 11.487 5.251 ( 4.311 9.679 -4.438) 11.487 5.628 ( -6.264 -0.973 -13.794) 15.181 5.628 ( 6.264 -0.973 -13.794) 15.181 6.107 ( -12.493 4.172 -2.469) 13.401 6.107 ( 12.493 4.172 -2.469) 13.401 6.393 ( -0.554 -5.644 3.961) 6.917 6.393 ( 0.554 -5.644 3.961) 6.917 7.167 ( -4.006 -2.511 2.136) 5.189 7.167 ( 4.006 -2.511 2.136) 5.189 7.244 ( -2.604 -3.065 4.403) 5.964 7.244 ( 2.604 -3.065 4.403) 5.964 9.179 ( -3.330 4.821 0.226) 5.864 9.179 ( 3.330 4.821 0.226) 5.864 9.748 ( -8.471 -10.720 0.725) 13.682 9.748 ( 8.471 -10.720 0.725) 13.682 11.197 ( -8.658 4.217 -4.924) 10.817 11.197 ( 8.658 4.217 -4.924) 10.817 11.455 ( -7.277 4.971 1.982) 9.033 11.455 ( 7.277 4.971 1.982) 9.033 12.069 ( -12.454 -8.169 0.967) 14.925 12.069 ( 12.454 -8.169 0.967) 14.925 12.992 ( -1.092 3.701 -4.599) 6.003 12.992 ( 1.092 3.701 -4.599) 6.003 13.948 ( -1.122 2.445 7.024) 7.522 13.948 ( 1.122 2.445 7.024) 7.522 14.567 ( -6.155 -10.291 -4.317) 12.744 14.567 ( 6.155 -10.291 -4.317) 12.744 15.134 ( -6.509 -3.704 2.669) 7.951 15.134 ( 6.509 -3.704 2.669) 7.951 17.889 ( -3.446 -4.270 -0.987) 5.575 17.889 ( 3.446 -4.270 -0.987) 5.575 18.027 ( -14.087 -16.766 2.262) 22.014 18.027 ( 14.087 -16.766 2.262) 22.014 18.397 ( -2.670 -6.337 -1.969) 7.153 18.397 ( 2.670 -6.337 -1.969) 7.153 20.951 ( -8.223 -1.042 -1.510) 8.426 20.951 ( 8.223 -1.042 -1.510) 8.426 21.275 ( -11.033 6.871 4.400) 13.723 21.275 ( 11.033 6.871 4.400) 13.723 22.351 ( -5.470 -0.823 -2.785) 6.193 22.351 ( 5.470 -0.823 -2.785) 6.193 ======================= Grid point 169 (40/63) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -9.175 -9.175 3.376) 13.408 1.414 ( -21.751 -21.751 1.016) 30.777 1.767 ( 1.023 1.023 4.534) 4.759 2.443 ( -23.306 -23.306 -3.005) 33.096 2.850 ( -0.221 -0.221 -17.432) 17.435 2.853 ( 2.490 2.490 13.633) 14.081 2.996 ( -1.996 -1.996 16.841) 17.076 3.332 ( -16.459 -16.459 8.199) 24.678 4.131 ( 8.525 8.525 10.588) 16.045 4.324 ( 0.451 0.451 10.174) 10.194 4.570 ( 12.966 12.966 -5.715) 19.206 4.920 ( 3.629 3.629 -0.065) 5.133 5.184 ( 4.785 4.785 -19.239) 20.395 5.445 ( 9.184 9.184 -1.588) 13.085 5.513 ( -4.496 -4.496 -14.069) 15.439 5.694 ( -3.121 -3.121 -11.731) 12.534 6.004 ( 10.525 10.525 0.089) 14.885 6.300 ( -2.675 -2.675 -0.153) 3.786 6.329 ( -2.110 -2.110 2.789) 4.084 6.343 ( -2.781 -2.781 3.451) 5.232 7.090 ( -1.065 -1.065 0.247) 1.526 7.171 ( 0.221 0.221 7.997) 8.003 7.190 ( -5.680 -5.680 -0.972) 8.091 7.236 ( -1.851 -1.851 6.825) 7.309 9.194 ( 3.034 3.034 0.217) 4.296 9.340 ( -2.126 -2.126 0.091) 3.008 9.471 ( 1.248 1.248 1.012) 2.034 9.723 ( -9.004 -9.004 1.017) 12.775 11.148 ( 6.950 6.950 -5.200) 11.119 11.424 ( -1.387 -1.387 -6.718) 6.999 11.424 ( 5.629 5.629 1.902) 8.185 11.634 ( -1.098 -1.098 2.392) 2.852 11.709 ( -0.395 -0.395 1.292) 1.407 12.116 ( -11.923 -11.923 1.180) 16.902 13.021 ( 3.734 3.734 -6.066) 8.042 13.056 ( 2.992 2.992 -3.268) 5.346 13.969 ( 1.149 1.149 8.886) 9.033 14.018 ( 2.123 2.123 4.417) 5.341 14.330 ( -3.765 -3.765 1.139) 5.445 14.519 ( -8.391 -8.391 -6.815) 13.684 15.030 ( -0.266 -0.266 2.864) 2.889 15.186 ( -6.446 -6.446 -0.015) 9.117 17.492 ( -1.165 -1.165 0.323) 1.679 17.882 ( -10.187 -10.187 -2.022) 14.548 17.945 ( -0.643 -0.643 2.110) 2.297 18.015 ( -10.774 -10.774 3.889) 15.726 18.336 ( -2.056 -2.056 -2.454) 3.804 18.347 ( -0.498 -0.498 -2.171) 2.283 20.849 ( 3.546 3.546 -0.688) 5.062 20.986 ( -3.449 -3.449 -1.128) 5.006 21.236 ( 8.050 8.050 5.849) 12.798 21.481 ( -2.289 -2.289 -0.051) 3.237 22.276 ( 1.461 1.461 -2.258) 3.061 22.403 ( -3.870 -3.870 -1.903) 5.795 ======================= Grid point 170 (41/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -12.770 -21.695 2.220) 25.272 1.030 ( 12.770 -21.695 2.220) 25.272 1.986 ( -18.673 -17.901 1.556) 25.914 1.986 ( 18.673 -17.901 1.556) 25.914 2.865 ( -1.779 -1.306 -5.970) 6.365 2.865 ( 1.779 -1.307 -5.971) 6.365 3.065 ( -8.922 -7.307 15.166) 19.052 3.065 ( 8.922 -7.306 15.166) 19.052 4.274 ( -4.995 5.449 11.362) 13.555 4.274 ( 4.995 5.449 11.362) 13.555 4.824 ( -10.433 12.394 -4.772) 16.889 4.824 ( 10.433 12.394 -4.772) 16.889 5.346 ( -9.191 -2.187 -16.341) 18.876 5.346 ( 9.191 -2.187 -16.341) 18.876 5.615 ( -5.423 1.750 -5.230) 7.735 5.615 ( 5.423 1.750 -5.230) 7.735 6.195 ( -7.493 3.426 -0.244) 8.243 6.195 ( 7.493 3.426 -0.244) 8.243 6.312 ( -0.298 -2.239 2.729) 3.542 6.312 ( 0.298 -2.239 2.729) 3.542 7.102 ( -2.479 -3.031 -0.004) 3.916 7.102 ( 2.479 -3.031 -0.004) 3.916 7.195 ( -1.852 -1.696 7.472) 7.883 7.195 ( 1.852 -1.696 7.472) 7.883 9.261 ( -3.739 3.094 0.165) 4.856 9.261 ( 3.739 3.094 0.165) 4.856 9.567 ( -6.310 -6.642 1.051) 9.221 9.567 ( 6.310 -6.642 1.051) 9.221 11.308 ( -7.977 6.043 -5.858) 11.596 11.308 ( 7.977 6.043 -5.858) 11.596 11.537 ( -5.358 3.431 1.926) 6.647 11.537 ( 5.358 3.431 1.926) 6.647 11.868 ( -11.373 -10.493 0.969) 15.504 11.868 ( 11.373 -10.493 0.969) 15.504 13.076 ( -1.115 3.679 -4.282) 5.754 13.076 ( 1.115 3.679 -4.282) 5.754 14.007 ( -2.254 3.392 6.323) 7.521 14.007 ( 2.254 3.392 6.323) 7.521 14.363 ( -5.960 -8.950 -1.784) 10.900 14.363 ( 5.960 -8.950 -1.784) 10.900 15.072 ( -4.142 -2.142 0.317) 4.674 15.072 ( 4.142 -2.142 0.317) 4.674 17.596 ( -10.902 -12.686 -0.148) 16.727 17.596 ( 10.902 -12.686 -0.148) 16.727 17.947 ( -1.137 -1.302 2.573) 3.099 17.947 ( 1.137 -1.302 2.573) 3.099 18.335 ( -0.984 -0.420 -2.385) 2.614 18.335 ( 0.984 -0.420 -2.385) 2.614 20.915 ( -3.279 -1.656 -0.189) 3.678 20.915 ( 3.279 -1.656 -0.189) 3.678 21.391 ( -6.292 3.856 1.892) 7.618 21.391 ( 6.292 3.856 1.891) 7.619 22.326 ( -3.279 -1.253 -1.845) 3.965 22.326 ( 3.279 -1.253 -1.845) 3.965 ======================= Grid point 186 (42/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 0.000 3.176) 3.176 0.763 ( 0.000 0.000 3.176) 3.176 1.782 ( 0.000 0.000 3.950) 3.950 1.782 ( 0.000 0.000 3.950) 3.950 2.841 ( 0.000 0.000 -19.347) 19.347 2.841 ( 0.000 0.000 -19.347) 19.347 2.998 ( 0.000 0.000 26.044) 26.044 2.998 ( 0.000 0.000 26.044) 26.044 4.332 ( 0.000 0.000 12.596) 12.596 4.332 ( 0.000 0.000 12.596) 12.596 4.994 ( 0.000 0.000 0.274) 0.274 4.994 ( 0.000 0.000 0.274) 0.274 5.266 ( 0.000 0.000 -25.505) 25.505 5.266 ( 0.000 0.000 -25.505) 25.505 5.651 ( 0.000 0.000 -1.555) 1.555 5.651 ( 0.000 0.000 -1.555) 1.555 6.231 ( 0.000 0.000 -0.065) 0.065 6.231 ( 0.000 0.000 -0.065) 0.065 6.292 ( 0.000 0.000 2.087) 2.087 6.292 ( 0.000 0.000 2.087) 2.087 7.067 ( 0.000 0.000 0.075) 0.075 7.067 ( 0.000 0.000 0.075) 0.075 7.177 ( 0.000 0.000 7.869) 7.869 7.177 ( 0.000 0.000 7.869) 7.869 9.298 ( 0.000 0.000 -0.014) 0.014 9.298 ( 0.000 0.000 -0.014) 0.014 9.492 ( 0.000 0.000 1.316) 1.316 9.492 ( 0.000 0.000 1.316) 1.316 11.389 ( 0.000 0.000 -7.260) 7.260 11.389 ( 0.000 0.000 -7.260) 7.260 11.606 ( 0.000 0.000 2.546) 2.546 11.606 ( 0.000 0.000 2.546) 2.546 11.706 ( 0.000 0.000 1.248) 1.248 11.706 ( 0.000 0.000 1.248) 1.248 13.118 ( 0.000 0.000 -3.666) 3.666 13.118 ( 0.000 0.000 -3.666) 3.666 14.062 ( -0.000 -0.000 4.872) 4.872 14.062 ( 0.000 0.000 4.872) 4.872 14.247 ( 0.000 0.000 -0.024) 0.024 14.247 ( 0.000 0.000 -0.024) 0.024 15.049 ( 0.000 0.000 -0.592) 0.592 15.049 ( 0.000 0.000 -0.592) 0.592 17.462 ( 0.000 0.000 0.579) 0.579 17.462 ( 0.000 0.000 0.579) 0.579 17.929 ( 0.000 0.000 1.898) 1.898 17.929 ( 0.000 0.000 1.898) 1.898 18.337 ( 0.000 0.000 -2.144) 2.144 18.337 ( 0.000 0.000 -2.144) 2.144 20.896 ( 0.000 0.000 -0.039) 0.039 20.896 ( 0.000 0.000 -0.039) 0.039 21.430 ( 0.000 0.000 1.348) 1.348 21.430 ( 0.000 0.000 1.348) 1.348 22.311 ( 0.000 0.000 -1.518) 1.518 22.311 ( 0.000 0.000 -1.518) 1.518 ======================= Grid point 242 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 0.000 25.475) 25.475 1.238 ( 0.000 0.000 25.475) 25.475 1.665 ( 0.000 0.000 -14.904) 14.904 1.665 ( -0.000 0.000 -14.904) 14.904 2.460 ( 0.000 0.000 -4.521) 4.521 2.460 ( 0.000 0.000 -4.521) 4.521 2.689 ( 0.000 0.000 61.916) 61.916 3.360 ( 0.000 0.000 14.816) 14.816 3.686 ( -0.000 -0.000 -16.173) 16.173 3.790 ( -0.000 0.000 -29.190) 29.190 4.055 ( 0.000 0.000 -0.747) 0.747 4.055 ( -0.000 -0.000 -0.747) 0.747 4.276 ( 0.000 0.000 2.385) 2.385 4.709 ( 0.000 -0.000 1.987) 1.987 4.709 ( -0.000 0.000 1.987) 1.987 4.757 ( -0.000 -0.000 -27.006) 27.006 6.405 ( -0.000 0.000 -0.453) 0.453 6.405 ( 0.000 -0.000 -0.453) 0.453 7.076 ( 0.000 0.000 0.300) 0.300 7.076 ( 0.000 0.000 0.300) 0.300 7.395 ( 0.000 0.000 17.183) 17.183 7.656 ( -0.000 -0.000 -8.564) 8.564 7.820 ( -0.000 -0.000 15.991) 15.991 8.144 ( 0.000 0.000 -14.743) 14.743 8.971 ( 0.000 0.000 0.889) 0.889 8.971 ( 0.000 0.000 0.889) 0.889 9.777 ( 0.000 0.000 -0.543) 0.543 9.777 ( 0.000 -0.000 -0.543) 0.543 11.392 ( -0.000 0.000 -0.229) 0.229 11.392 ( -0.000 -0.000 -0.229) 0.229 11.462 ( 0.000 0.000 4.567) 4.567 11.553 ( 0.000 0.000 -4.122) 4.122 12.179 ( 0.000 0.000 -1.982) 1.982 12.179 ( 0.000 0.000 -1.982) 1.982 13.257 ( -0.000 0.000 1.812) 1.812 13.257 ( 0.000 0.000 1.812) 1.812 13.283 ( 0.000 0.000 16.209) 16.209 13.671 ( 0.000 -0.000 -21.196) 21.196 15.876 ( 0.000 0.000 20.500) 20.500 16.254 ( 0.000 0.000 -16.125) 16.125 17.223 ( -0.000 -0.000 -0.376) 0.376 17.223 ( 0.000 0.000 -0.376) 0.376 17.413 ( 0.000 0.000 14.251) 14.251 17.723 ( 0.000 0.000 -15.568) 15.568 17.842 ( 0.000 -0.000 1.303) 1.303 17.842 ( 0.000 0.000 1.303) 1.303 18.519 ( 0.000 -0.000 -0.951) 0.951 18.519 ( -0.000 0.000 -0.951) 0.951 18.520 ( 0.000 0.000 2.066) 2.066 18.543 ( 0.000 0.000 -0.433) 0.433 22.166 ( -0.000 0.000 1.907) 1.907 22.169 ( 0.000 0.000 0.976) 0.976 22.361 ( 0.000 0.000 3.300) 3.300 22.463 ( 0.000 0.000 -5.723) 5.723 ======================= Grid point 243 (44/63) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 16.919 0.000 20.076) 26.254 1.483 ( 20.662 0.000 18.917) 28.014 1.781 ( 10.652 0.000 -11.677) 15.806 1.806 ( 12.728 0.000 -10.925) 16.774 2.505 ( 4.431 0.000 -4.334) 6.198 2.517 ( 5.241 0.000 -5.170) 7.361 2.842 ( 14.489 0.000 57.086) 58.896 3.480 ( 11.323 0.000 13.649) 17.734 3.764 ( 4.911 0.000 -15.032) 15.814 3.830 ( 3.801 0.000 -8.489) 9.301 4.023 ( -0.556 0.000 -12.029) 12.041 4.028 ( -2.760 0.000 -2.356) 3.629 4.260 ( -0.655 0.000 -7.469) 7.498 4.504 ( -9.007 0.000 -12.045) 15.040 4.802 ( 7.350 0.000 5.947) 9.454 5.015 ( 12.419 0.000 -15.537) 19.891 6.401 ( -0.715 0.000 0.458) 0.849 6.429 ( 1.964 0.000 -2.494) 3.175 7.050 ( -2.619 0.000 0.549) 2.676 7.051 ( -2.441 0.000 0.683) 2.535 7.360 ( -3.033 0.000 13.077) 13.424 7.515 ( -10.920 0.000 -1.532) 11.027 7.755 ( -5.947 0.000 15.416) 16.523 8.068 ( -7.014 0.000 -14.260) 15.892 8.984 ( 1.004 0.000 1.794) 2.056 9.022 ( 2.969 0.000 -2.122) 3.649 9.819 ( 3.980 0.000 1.228) 4.165 9.879 ( 9.026 0.000 -5.407) 10.522 11.358 ( -3.929 0.000 0.679) 3.987 11.364 ( -2.719 0.000 -0.211) 2.727 11.421 ( -2.918 0.000 3.074) 4.239 11.496 ( -5.065 0.000 -3.643) 6.239 12.181 ( 0.075 0.000 -1.765) 1.767 12.182 ( 0.236 0.000 -1.902) 1.916 13.224 ( -1.471 0.000 7.026) 7.179 13.232 ( -2.035 0.000 4.034) 4.518 13.357 ( 5.149 0.000 9.326) 10.653 13.692 ( 1.774 0.000 -20.341) 20.418 15.762 ( -10.116 0.000 19.152) 21.660 16.098 ( -12.546 0.000 -13.513) 18.439 16.681 ( -54.121 0.000 16.171) 56.485 16.824 ( -39.421 0.000 -0.486) 39.424 17.432 ( 17.989 0.000 1.214) 18.030 17.475 ( 19.962 0.000 -2.924) 20.175 17.996 ( -0.085 0.000 6.049) 6.050 18.035 ( -8.299 0.000 3.648) 9.066 18.144 ( 0.703 0.000 -3.407) 3.478 18.171 ( 10.111 0.000 -7.317) 12.481 19.352 ( 40.519 0.000 10.773) 41.927 19.672 ( 49.803 0.000 -21.915) 54.411 22.076 ( -8.954 0.000 1.780) 9.129 22.102 ( -6.295 0.000 -0.270) 6.301 22.312 ( -3.983 0.000 4.907) 6.319 22.436 ( -2.391 0.000 -6.345) 6.780 ======================= Grid point 244 (45/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 19.779 0.000 12.858) 23.591 1.955 ( 22.689 0.000 5.058) 23.246 2.054 ( 14.214 0.000 -1.896) 14.339 2.109 ( 14.575 0.000 -2.552) 14.797 2.656 ( 10.660 0.000 -4.502) 11.571 2.672 ( 9.791 0.000 -5.017) 11.002 3.263 ( 25.543 0.000 42.921) 49.946 3.743 ( -4.601 0.000 12.669) 13.479 3.793 ( 17.774 0.000 11.614) 21.232 3.940 ( -5.469 0.000 -3.142) 6.307 3.982 ( 9.557 0.000 -14.724) 17.554 4.038 ( -1.803 0.000 1.870) 2.598 4.338 ( -7.556 0.000 -13.266) 15.267 4.359 ( 12.687 0.000 -33.892) 36.189 4.946 ( 5.720 0.000 7.748) 9.631 5.196 ( 4.656 0.000 -13.946) 14.702 6.353 ( -4.665 0.000 2.774) 5.428 6.451 ( -1.231 0.000 -6.976) 7.084 6.970 ( -4.670 0.000 1.479) 4.898 6.981 ( -3.867 0.000 0.858) 3.961 7.292 ( -3.128 0.000 6.484) 7.199 7.316 ( -6.871 0.000 4.293) 8.102 7.600 ( -8.397 0.000 13.315) 15.741 7.874 ( -11.245 0.000 -12.531) 16.837 8.997 ( -0.031 0.000 2.276) 2.276 9.046 ( -0.654 0.000 -2.409) 2.496 9.935 ( 7.059 0.000 4.916) 8.602 10.095 ( 10.784 0.000 -11.582) 15.826 11.227 ( -8.047 0.000 2.629) 8.465 11.275 ( -6.144 0.000 -1.840) 6.413 11.369 ( -2.319 0.000 0.271) 2.335 11.382 ( -4.934 0.000 -1.103) 5.056 12.175 ( -0.752 0.000 -1.300) 1.501 12.181 ( -0.489 0.000 -1.895) 1.957 13.193 ( -1.489 0.000 6.692) 6.855 13.200 ( -0.864 0.000 6.545) 6.602 13.477 ( 6.168 0.000 6.130) 8.696 13.735 ( 2.179 0.000 -17.476) 17.611 15.477 ( -17.708 0.000 19.457) 26.309 15.798 ( -17.044 0.000 -11.899) 20.786 15.849 ( -25.298 0.000 15.976) 29.920 16.074 ( -29.511 0.000 -6.567) 30.233 17.844 ( 1.291 0.000 1.196) 1.759 17.848 ( 7.768 0.000 0.504) 7.784 17.981 ( 16.045 0.000 2.641) 16.261 18.038 ( 22.808 0.000 -3.371) 23.056 18.327 ( 10.262 0.000 0.180) 10.264 18.371 ( 8.949 0.000 -4.186) 9.879 20.080 ( 28.980 0.000 14.072) 32.216 20.410 ( 22.234 0.000 -17.728) 28.437 21.817 ( -15.395 0.000 4.355) 15.999 21.925 ( -9.848 0.000 -5.724) 11.391 22.224 ( -4.384 0.000 6.166) 7.566 22.371 ( -3.807 0.000 -7.212) 8.156 ======================= Grid point 245 (46/63) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 10.008 0.000 5.333) 11.340 2.222 ( 5.321 0.000 -1.661) 5.574 2.418 ( 17.502 0.000 5.359) 18.304 2.472 ( 24.154 0.000 0.725) 24.165 2.906 ( 12.395 0.000 -2.954) 12.742 2.917 ( 12.314 0.000 -3.946) 12.931 3.653 ( -3.286 0.000 13.405) 13.802 3.814 ( -2.498 0.000 1.206) 2.774 3.844 ( 24.130 0.000 21.760) 32.492 3.944 ( -6.479 0.000 6.164) 8.943 4.088 ( 1.623 0.000 -1.084) 1.952 4.203 ( 11.743 0.000 -9.898) 15.358 4.259 ( 9.026 0.000 1.721) 9.189 4.691 ( 16.612 0.000 -25.116) 30.113 5.031 ( 3.127 0.000 0.145) 3.130 5.218 ( -1.965 0.000 -10.792) 10.970 6.180 ( -12.282 0.000 4.569) 13.105 6.329 ( -10.588 0.000 -9.958) 14.535 6.896 ( -2.080 0.000 2.121) 2.971 6.918 ( -1.928 0.000 0.563) 2.009 7.232 ( -2.985 0.000 5.583) 6.331 7.241 ( -1.092 0.000 4.039) 4.184 7.444 ( -5.769 0.000 7.674) 9.600 7.632 ( -11.484 0.000 -9.387) 14.833 8.980 ( -1.591 0.000 1.449) 2.151 9.007 ( -2.734 0.000 -1.130) 2.959 10.098 ( 8.492 0.000 7.156) 11.105 10.296 ( 8.357 0.000 -12.426) 14.975 11.050 ( -8.656 0.000 3.163) 9.216 11.121 ( -8.161 0.000 -3.568) 8.907 11.310 ( -2.178 0.000 1.063) 2.424 11.326 ( -1.764 0.000 -0.333) 1.795 12.150 ( -1.511 0.000 -1.019) 1.822 12.160 ( -1.472 0.000 -1.945) 2.439 13.172 ( -0.535 0.000 7.110) 7.130 13.187 ( -0.498 0.000 5.791) 5.813 13.599 ( 5.374 0.000 3.099) 6.204 13.774 ( 1.383 0.000 -13.270) 13.342 15.120 ( -14.021 0.000 14.559) 20.213 15.384 ( -19.800 0.000 -10.577) 22.448 15.527 ( -9.716 0.000 9.893) 13.866 15.672 ( -12.573 0.000 -4.492) 13.351 17.810 ( -1.517 0.000 1.934) 2.458 17.827 ( -1.838 0.000 0.336) 1.869 18.517 ( 7.953 0.000 -1.105) 8.030 18.534 ( 8.137 0.000 -2.653) 8.559 18.571 ( 30.872 0.000 2.020) 30.938 18.635 ( 31.015 0.000 -4.074) 31.282 20.513 ( 11.562 0.000 6.484) 13.256 20.620 ( -1.177 0.000 -3.917) 4.090 21.493 ( -13.777 0.000 11.304) 17.821 21.746 ( -6.727 0.000 -11.121) 12.997 22.136 ( -3.867 0.000 4.571) 5.987 22.283 ( -4.619 0.000 -7.890) 9.142 ======================= Grid point 246 (47/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 1.934 0.000 -1.813) 2.651 2.278 ( 1.079 0.000 -2.749) 2.953 2.783 ( 15.510 0.000 13.714) 20.703 2.970 ( 23.585 0.000 -1.625) 23.641 3.072 ( 1.927 0.000 3.426) 3.931 3.176 ( 13.905 0.000 -5.206) 14.848 3.626 ( 0.583 0.000 3.125) 3.179 3.710 ( -4.483 0.000 -1.687) 4.790 3.773 ( -10.342 0.000 2.660) 10.678 3.834 ( -14.157 0.000 -5.521) 15.195 4.455 ( 11.916 0.000 5.818) 13.260 4.488 ( 24.367 0.000 22.568) 33.213 4.540 ( 15.056 0.000 1.231) 15.106 4.934 ( 5.510 0.000 0.831) 5.573 5.124 ( 5.324 0.000 -23.670) 24.261 5.136 ( -5.479 0.000 -7.584) 9.356 5.889 ( -13.357 0.000 3.132) 13.719 6.060 ( -14.183 0.000 -12.843) 19.134 6.873 ( -0.371 0.000 3.035) 3.058 6.895 ( -0.762 0.000 1.611) 1.782 7.172 ( -2.079 0.000 5.827) 6.186 7.228 ( -1.368 0.000 1.302) 1.889 7.379 ( -1.049 0.000 1.645) 1.951 7.437 ( -6.369 0.000 -4.443) 7.765 8.941 ( -1.758 0.000 0.597) 1.857 8.950 ( -2.393 0.000 -0.199) 2.401 10.274 ( 8.186 0.000 5.996) 10.147 10.425 ( 3.583 0.000 -8.712) 9.420 10.893 ( -5.672 0.000 2.634) 6.253 10.961 ( -6.901 0.000 -3.775) 7.866 11.284 ( -0.509 0.000 1.135) 1.244 11.297 ( -0.977 0.000 -0.094) 0.982 12.120 ( -1.170 0.000 -1.125) 1.623 12.128 ( -1.439 0.000 -1.815) 2.316 13.168 ( 0.063 0.000 6.541) 6.542 13.179 ( -0.322 0.000 5.568) 5.577 13.693 ( 3.751 0.000 -0.130) 3.753 13.784 ( -0.506 0.000 -8.574) 8.589 14.933 ( -4.391 0.000 6.334) 7.707 15.066 ( -10.906 0.000 -6.135) 12.514 15.390 ( -3.786 0.000 6.161) 7.231 15.470 ( -7.368 0.000 -1.748) 7.572 17.791 ( -0.381 0.000 1.536) 1.583 17.801 ( -0.826 0.000 0.699) 1.082 18.644 ( 4.213 0.000 -2.022) 4.673 18.647 ( 3.840 0.000 -2.372) 4.514 19.239 ( 31.806 0.000 0.608) 31.812 19.271 ( 29.694 0.000 -2.438) 29.794 20.413 ( -16.984 0.000 2.108) 17.114 20.465 ( -15.802 0.000 -3.104) 16.104 21.377 ( 3.083 0.000 17.160) 17.434 21.635 ( -5.083 0.000 -4.694) 6.919 22.083 ( -0.804 0.000 -1.295) 1.524 22.187 ( -4.524 0.000 -8.237) 9.398 ======================= Grid point 247 (48/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.084 0.000 -3.714) 3.715 2.288 ( 0.084 0.000 -3.714) 3.715 3.014 ( -6.999 0.000 12.995) 14.760 3.014 ( 6.999 0.000 12.995) 14.760 3.387 ( -8.863 0.000 -6.239) 10.839 3.387 ( 8.863 0.000 -6.239) 10.839 3.549 ( -3.375 0.000 1.910) 3.879 3.549 ( 3.375 0.000 1.910) 3.879 3.660 ( -2.445 0.000 -5.105) 5.661 3.660 ( 2.445 0.000 -5.105) 5.661 4.624 ( -2.312 0.000 17.489) 17.641 4.624 ( 2.312 0.000 17.489) 17.641 4.984 ( -7.663 0.000 -1.521) 7.813 4.984 ( 7.663 0.000 -1.521) 7.813 5.048 ( -5.812 0.000 -7.999) 9.887 5.048 ( 5.812 0.000 -7.999) 9.887 5.811 ( -7.329 0.000 -11.266) 13.440 5.811 ( 7.329 0.000 -11.266) 13.440 6.878 ( -0.736 0.000 3.371) 3.450 6.878 ( 0.736 0.000 3.371) 3.450 7.176 ( -2.404 0.000 1.315) 2.741 7.176 ( 2.404 0.000 1.315) 2.741 7.377 ( -0.702 0.000 -0.277) 0.755 7.377 ( 0.702 0.000 -0.277) 0.755 8.922 ( -0.150 0.000 0.204) 0.253 8.922 ( 0.150 0.000 0.204) 0.253 10.415 ( -4.608 0.000 0.192) 4.612 10.415 ( 4.608 0.000 0.192) 4.612 10.857 ( -2.387 0.000 -1.745) 2.957 10.857 ( 2.387 0.000 -1.745) 2.957 11.284 ( -0.369 0.000 0.533) 0.648 11.284 ( 0.369 0.000 0.533) 0.648 12.109 ( -0.200 0.000 -1.477) 1.490 12.109 ( 0.200 0.000 -1.477) 1.490 13.172 ( -0.285 0.000 5.915) 5.921 13.172 ( 0.285 0.000 5.915) 5.921 13.755 ( -2.233 0.000 -4.027) 4.605 13.755 ( 2.233 0.000 -4.027) 4.605 14.923 ( -3.183 0.000 -0.589) 3.237 14.923 ( 3.183 0.000 -0.589) 3.237 15.372 ( -2.052 0.000 2.076) 2.919 15.372 ( 2.052 0.000 2.076) 2.919 17.790 ( -0.224 0.000 1.117) 1.139 17.790 ( 0.224 0.000 1.117) 1.139 18.688 ( -0.021 0.000 -2.288) 2.288 18.688 ( 0.021 0.000 -2.288) 2.288 19.726 ( -0.273 0.000 -1.456) 1.481 19.726 ( 0.273 0.000 -1.456) 1.481 20.104 ( -2.945 0.000 0.295) 2.960 20.104 ( 2.945 0.000 0.295) 2.960 21.507 ( -7.243 0.000 8.437) 11.119 21.507 ( 7.243 0.000 8.437) 11.119 22.107 ( -2.902 0.000 -6.884) 7.471 22.107 ( 2.902 0.000 -6.884) 7.471 ======================= Grid point 254 (49/63) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 6.196 6.196 20.224) 22.041 1.713 ( 1.614 1.614 -10.019) 10.276 1.792 ( 18.487 18.487 14.254) 29.778 2.057 ( 14.530 14.530 -6.795) 21.642 2.468 ( 0.533 0.533 -6.068) 6.115 2.631 ( 7.113 7.113 -2.786) 10.438 3.007 ( 15.246 15.246 50.135) 54.574 3.596 ( 10.850 10.850 12.387) 19.720 3.792 ( -3.231 -3.231 4.636) 6.509 3.876 ( 8.775 8.775 -14.056) 18.750 3.964 ( -1.008 -1.008 -11.091) 11.182 4.109 ( 2.488 2.488 -0.720) 3.591 4.243 ( 0.647 0.647 -21.506) 21.525 4.461 ( -5.149 -5.149 -14.182) 15.942 4.772 ( 3.132 3.132 1.766) 4.768 5.209 ( 10.982 10.982 -8.736) 17.820 6.375 ( -3.162 -3.162 -2.802) 5.278 6.436 ( 1.204 1.204 -0.362) 1.741 6.992 ( -4.418 -4.418 1.012) 6.330 7.051 ( -1.357 -1.357 0.738) 2.056 7.323 ( -3.293 -3.293 9.346) 10.442 7.425 ( -6.693 -6.693 2.560) 9.806 7.682 ( -6.593 -6.593 13.739) 16.604 8.006 ( -5.798 -5.798 -12.796) 15.198 8.983 ( 0.588 0.588 0.791) 1.148 9.090 ( 4.076 4.076 -1.360) 5.922 9.742 ( -1.760 -1.760 -0.342) 2.512 10.055 ( 10.999 10.999 -5.273) 16.425 11.252 ( -10.324 -10.324 1.513) 14.678 11.291 ( -4.137 -4.137 0.077) 5.851 11.404 ( 0.307 0.307 -1.121) 1.202 11.559 ( 1.737 1.737 -0.600) 2.528 12.071 ( -4.612 -4.612 -1.853) 6.780 12.303 ( 5.449 5.449 -1.667) 7.884 13.101 ( -5.129 -5.129 3.562) 8.081 13.260 ( -3.611 -3.611 12.039) 13.077 13.417 ( 6.587 6.587 1.695) 9.468 13.737 ( 3.493 3.493 -16.478) 17.202 15.642 ( -9.936 -9.936 17.213) 22.221 16.015 ( -11.966 -11.966 -8.368) 18.878 16.254 ( -30.531 -30.531 14.858) 45.662 16.502 ( -23.986 -23.986 -2.932) 34.048 17.299 ( 3.302 3.302 -0.351) 4.683 17.822 ( 9.422 9.422 0.337) 13.328 17.888 ( 1.987 1.987 1.367) 3.125 18.024 ( 15.124 15.124 1.947) 21.478 18.217 ( 3.675 3.675 -4.786) 7.065 18.483 ( -1.623 -1.623 -1.034) 2.518 19.456 ( 29.419 29.419 6.378) 42.091 20.124 ( 23.805 23.805 -15.318) 36.986 21.943 ( -10.174 -10.174 0.306) 14.392 22.065 ( -5.087 -5.087 0.666) 7.224 22.260 ( -4.152 -4.152 2.336) 6.319 22.463 ( 1.431 1.431 -4.244) 4.702 ======================= Grid point 255 (50/63) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 18.299 -7.171 12.182) 23.123 1.833 ( 8.607 -9.008 -3.349) 12.901 2.186 ( 17.711 11.909 12.514) 24.741 2.331 ( 12.495 12.078 -3.543) 17.736 2.550 ( 8.085 -4.088 -7.330) 11.654 2.805 ( 9.712 7.399 -1.344) 12.283 3.399 ( 19.686 10.598 34.917) 41.461 3.703 ( -3.578 -3.326 7.469) 8.924 3.894 ( 15.647 9.051 9.572) 20.454 3.929 ( -1.327 0.503 10.554) 10.649 4.086 ( 9.555 9.609 -11.524) 17.789 4.123 ( -0.839 6.683 -4.009) 7.838 4.315 ( -2.258 -1.178 -13.398) 13.638 4.400 ( 9.420 2.169 -35.084) 36.392 4.892 ( 6.592 0.001 1.970) 6.880 5.347 ( 2.002 8.674 -5.857) 10.655 6.255 ( -8.865 -8.946 -3.581) 13.094 6.459 ( -0.267 0.460 -1.894) 1.967 6.879 ( -5.664 -6.039 1.462) 8.408 6.999 ( -3.369 -1.074 1.441) 3.818 7.242 ( -3.587 -2.454 4.543) 6.287 7.325 ( -2.739 -0.320 5.277) 5.954 7.518 ( -8.303 -7.042 10.094) 14.846 7.841 ( -9.804 -3.361 -9.846) 14.296 8.997 ( 0.401 0.750 0.824) 1.184 9.130 ( -0.564 6.356 -0.681) 6.417 9.775 ( 4.684 -9.140 0.357) 10.277 10.282 ( 10.451 11.587 -6.719) 16.989 11.021 ( -11.284 -13.276 0.859) 17.444 11.220 ( -2.654 -5.354 0.508) 5.997 11.376 ( -3.134 3.543 -1.566) 4.983 11.550 ( -2.145 7.037 0.108) 7.357 11.995 ( -2.613 -7.574 -1.718) 8.194 12.388 ( 2.282 10.040 -1.420) 10.393 13.031 ( -1.699 -8.597 3.452) 9.419 13.174 ( -3.861 -6.544 8.069) 11.083 13.560 ( 6.732 6.943 2.079) 9.892 13.809 ( 3.162 5.545 -11.870) 13.478 15.367 ( -17.271 -10.235 20.588) 28.756 15.614 ( -17.735 -14.981 6.610) 24.139 15.730 ( -22.757 -10.949 -12.095) 28.001 16.067 ( -17.277 -1.324 0.056) 17.327 17.549 ( 18.861 -13.077 -0.466) 22.956 17.801 ( -2.878 1.274 1.481) 3.478 18.051 ( 5.532 -2.295 5.554) 8.168 18.190 ( -0.390 4.631 -6.312) 7.838 18.485 ( 4.605 0.489 -1.554) 4.885 18.555 ( 29.386 28.133 -1.589) 40.713 20.143 ( 28.794 9.153 11.799) 32.436 20.446 ( 7.865 -0.275 -12.075) 14.413 21.711 ( -11.179 -6.329 -0.430) 12.853 21.908 ( -9.615 -5.655 -0.952) 11.195 22.159 ( -5.249 -1.756 0.369) 5.547 22.468 ( -1.214 5.402 -3.200) 6.396 ======================= Grid point 256 (51/63) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 7.238 -13.606 0.541) 15.421 2.087 ( 18.321 -10.500 4.957) 21.691 2.392 ( 5.499 -0.572 0.298) 5.537 2.648 ( 15.271 7.229 5.414) 17.742 2.830 ( 18.259 -1.951 -2.253) 18.501 3.019 ( 10.739 6.761 -3.874) 13.268 3.582 ( 0.053 -2.537 14.821) 15.037 3.717 ( -1.409 -6.806 9.752) 11.975 3.940 ( 1.705 0.903 7.401) 7.648 4.025 ( -1.435 9.687 -2.407) 10.084 4.177 ( 0.131 7.401 -3.313) 8.109 4.303 ( 13.924 6.293 4.124) 15.827 4.359 ( 14.896 11.536 -0.625) 18.851 4.710 ( 15.981 1.316 -25.302) 29.955 5.002 ( 3.635 1.472 -0.332) 3.936 5.324 ( -2.926 6.158 -5.990) 9.075 6.014 ( -13.631 -13.329 -4.243) 19.532 6.373 ( -8.480 2.402 -3.110) 9.346 6.793 ( -2.506 -6.574 1.470) 7.187 6.926 ( -3.685 -2.952 2.407) 5.300 7.200 ( -0.941 0.431 3.437) 3.589 7.288 ( -1.147 1.315 5.466) 5.738 7.384 ( -3.790 -4.718 4.092) 7.306 7.623 ( -10.783 -1.465 -6.709) 12.784 8.993 ( -0.704 1.764 0.624) 1.999 9.080 ( -3.629 6.101 -0.225) 7.102 9.911 ( 7.885 -12.044 1.358) 14.460 10.458 ( 5.359 8.838 -5.828) 11.865 10.818 ( -7.007 -12.842 0.476) 14.637 11.190 ( -0.101 -4.241 0.780) 4.314 11.277 ( -6.276 6.165 -1.851) 8.990 11.485 ( -3.998 8.121 0.480) 9.065 11.971 ( 0.492 -7.326 -1.489) 7.492 12.384 ( -2.718 11.392 -1.196) 11.773 13.023 ( 0.674 -9.531 3.174) 10.068 13.115 ( -1.784 -8.166 5.434) 9.970 13.686 ( 5.362 6.911 1.704) 8.911 13.859 ( 1.571 6.493 -8.055) 10.465 15.031 ( -12.859 -8.131 13.854) 20.577 15.255 ( -17.311 -11.741 -5.181) 21.549 15.423 ( -7.630 -5.728 -0.882) 9.581 15.752 ( -13.679 3.091 0.771) 14.045 17.763 ( -0.692 0.119 1.203) 1.393 17.920 ( 4.649 -2.659 0.404) 5.371 18.100 ( 16.412 -12.579 1.354) 20.722 18.347 ( 9.883 -9.604 -3.070) 14.118 18.593 ( 4.956 -1.204 -1.606) 5.347 19.180 ( 30.375 27.144 -1.927) 40.782 20.280 ( -11.721 -18.658 -0.135) 22.034 20.733 ( 16.738 8.292 5.973) 19.611 21.502 ( -9.683 0.725 4.976) 10.911 21.699 ( -9.479 -6.531 -5.181) 12.623 22.070 ( -2.662 -0.437 -2.362) 3.585 22.412 ( -4.150 7.162 -3.124) 8.847 ======================= Grid point 257 (52/63) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 4.649 -12.661 -1.204) 13.541 2.265 ( -1.029 -4.901 -1.732) 5.299 2.660 ( 20.006 -11.546 3.057) 23.300 2.921 ( 11.693 -2.028 4.798) 12.801 3.070 ( 2.482 -0.139 5.777) 6.289 3.328 ( 17.976 9.971 -5.442) 21.264 3.546 ( -10.127 -10.521 0.982) 14.636 3.628 ( 1.827 -0.365 6.331) 6.600 3.819 ( -6.610 3.788 -4.068) 8.636 3.974 ( -8.365 9.116 3.771) 12.934 4.290 ( 11.022 -4.388 1.272) 11.932 4.557 ( 7.191 2.458 11.817) 14.050 4.726 ( 17.305 10.043 6.845) 21.147 4.957 ( 5.645 -3.317 -11.458) 13.197 5.035 ( 0.893 5.035 -0.091) 5.114 5.288 ( -0.295 7.047 -15.629) 17.147 5.767 ( -7.217 -8.600 -5.624) 12.557 6.129 ( -14.281 4.663 -5.144) 15.879 6.769 ( 0.015 -7.169 2.016) 7.447 6.849 ( -3.566 -6.009 3.390) 7.766 7.183 ( -0.077 1.629 3.007) 3.421 7.278 ( -0.784 2.738 3.549) 4.551 7.356 ( 0.114 -1.524 0.512) 1.612 7.429 ( -6.909 -1.219 -3.282) 7.746 8.973 ( -0.990 3.039 0.365) 3.217 9.006 ( -3.094 4.948 -0.010) 5.836 10.083 ( 8.634 -12.602 1.232) 15.325 10.432 ( -6.850 -6.372 -1.907) 9.548 10.810 ( 5.452 1.225 -1.687) 5.837 11.126 ( -7.946 7.369 -1.761) 10.979 11.218 ( 2.597 -1.859 0.733) 3.277 11.392 ( -4.892 5.478 0.630) 7.372 12.022 ( 4.445 -3.234 -1.269) 5.642 12.285 ( -6.383 8.223 -1.092) 10.467 13.047 ( 1.403 -8.697 2.986) 9.302 13.092 ( -0.767 -7.763 3.894) 8.719 13.778 ( 3.636 6.697 0.620) 7.646 13.869 ( -0.607 6.667 -4.378) 7.998 14.861 ( -3.914 -6.570 5.479) 9.408 14.978 ( -9.483 -7.879 -5.262) 13.405 15.328 ( -1.707 -4.247 2.430) 5.182 15.507 ( -9.895 1.166 1.278) 10.045 17.770 ( 1.274 0.451 1.083) 1.732 17.874 ( -3.437 4.472 1.150) 5.756 18.519 ( 7.495 -9.466 -1.928) 12.227 18.568 ( 13.736 -16.521 -2.382) 21.617 18.726 ( 15.749 -14.825 -0.248) 21.630 19.661 ( 1.217 -3.711 -1.981) 4.379 20.037 ( 4.649 -0.933 0.364) 4.756 20.856 ( -8.408 16.977 0.129) 18.946 21.358 ( -0.574 -2.276 13.651) 13.851 21.548 ( -5.744 -7.065 -2.546) 9.455 22.070 ( 2.777 1.690 -5.330) 6.243 22.303 ( -6.205 6.883 -3.846) 10.033 ======================= Grid point 258 (53/63) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -4.507 -8.974 -2.958) 10.469 2.194 ( 4.507 -8.974 -2.958) 10.469 3.002 ( -9.427 -2.461 11.644) 15.183 3.002 ( 9.427 -2.461 11.644) 15.183 3.194 ( -16.757 -12.154 -4.063) 21.096 3.194 ( 16.757 -12.154 -4.063) 21.096 3.692 ( -6.056 5.617 -4.320) 9.321 3.692 ( 6.056 5.617 -4.320) 9.321 3.740 ( -10.211 9.792 1.236) 14.201 3.740 ( 10.211 9.792 1.236) 14.201 4.525 ( -9.411 -8.846 12.163) 17.742 4.525 ( 9.411 -8.846 12.163) 17.742 4.941 ( -3.675 0.768 2.776) 4.669 4.941 ( 3.675 0.768 2.776) 4.669 5.181 ( -10.093 7.427 -11.695) 17.140 5.181 ( 10.093 7.427 -11.695) 17.140 5.837 ( -12.111 2.760 -8.050) 14.802 5.837 ( 12.111 2.760 -8.050) 14.802 6.790 ( -1.983 -7.222 3.062) 8.091 6.790 ( 1.983 -7.222 3.062) 8.091 7.220 ( -3.469 2.766 1.396) 4.651 7.220 ( 3.469 2.766 1.396) 4.651 7.364 ( -0.733 -1.020 0.129) 1.262 7.364 ( 0.733 -1.020 0.129) 1.262 8.966 ( -0.646 4.048 0.168) 4.103 8.966 ( 0.646 4.048 0.168) 4.103 10.263 ( -8.734 -11.748 0.120) 14.639 10.263 ( 8.734 -11.748 0.120) 14.639 10.959 ( -8.042 6.458 -1.885) 10.485 10.959 ( 8.042 6.458 -1.885) 10.485 11.293 ( -4.464 1.623 0.704) 4.802 11.293 ( 4.464 1.623 0.704) 4.802 12.143 ( -6.873 2.677 -1.127) 7.462 12.143 ( 6.873 2.677 -1.127) 7.462 13.074 ( -1.109 -7.736 3.164) 8.431 13.074 ( 1.109 -7.736 3.164) 8.431 13.838 ( -2.246 6.601 -1.341) 7.100 13.838 ( 2.246 6.601 -1.341) 7.100 14.853 ( -2.879 -6.356 -1.053) 7.057 14.853 ( 2.879 -6.356 -1.053) 7.057 15.356 ( -4.460 -1.785 2.156) 5.265 15.356 ( 4.460 -1.785 2.156) 5.265 17.811 ( -2.606 2.086 1.080) 3.508 17.811 ( 2.606 2.086 1.080) 3.508 18.618 ( -2.327 -6.704 -2.348) 7.475 18.618 ( 2.327 -6.704 -2.348) 7.475 19.251 ( -27.137 -30.182 -0.329) 40.589 19.251 ( 27.137 -30.182 -0.329) 40.589 20.477 ( -24.266 20.644 -0.784) 31.869 20.477 ( 24.266 20.644 -0.784) 31.869 21.435 ( -5.373 -5.549 6.832) 10.312 21.435 ( 5.373 -5.549 6.832) 10.312 22.170 ( -6.256 4.797 -5.198) 9.443 22.170 ( 6.256 4.797 -5.198) 9.443 ======================= Grid point 266 (54/63) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 3.119 3.119 8.383) 9.473 1.724 ( -0.617 -0.617 2.110) 2.283 2.345 ( 2.973 2.973 7.068) 8.224 2.516 ( 1.567 1.567 -9.034) 9.302 2.627 ( 15.942 15.942 6.394) 23.434 2.976 ( 9.280 9.280 -2.745) 13.407 3.552 ( 2.355 2.355 22.338) 22.585 3.653 ( -1.384 -1.384 4.857) 5.236 3.947 ( 0.893 0.893 10.949) 11.022 4.146 ( 12.286 12.286 6.488) 18.547 4.259 ( 6.611 6.611 1.019) 9.404 4.287 ( 0.520 0.520 -9.827) 9.854 4.345 ( 12.858 12.858 -9.169) 20.365 4.496 ( 9.251 9.251 -30.319) 33.021 4.988 ( 7.919 7.919 1.020) 11.246 5.438 ( -0.170 -0.170 -1.152) 1.177 6.000 ( -15.054 -15.054 -9.165) 23.178 6.469 ( -0.052 -0.052 -0.190) 0.203 6.748 ( -5.991 -5.991 1.548) 8.613 6.931 ( -5.191 -5.191 2.868) 7.882 7.226 ( 0.833 0.833 2.852) 3.086 7.313 ( -0.557 -0.557 4.463) 4.532 7.359 ( -7.123 -7.123 5.624) 11.537 7.731 ( -7.214 -7.214 -6.495) 12.094 9.021 ( 1.280 1.280 0.542) 1.889 9.251 ( 3.671 3.671 0.132) 5.193 9.631 ( -3.515 -3.515 -0.011) 4.970 10.508 ( 9.829 9.829 -5.274) 14.868 10.737 ( -13.558 -13.558 0.666) 19.186 11.145 ( -1.756 -1.756 0.757) 2.596 11.412 ( -0.138 -0.138 -1.930) 1.939 11.644 ( 1.915 1.915 0.275) 2.722 11.873 ( -4.127 -4.127 -1.518) 6.031 12.570 ( 6.879 6.879 -1.334) 9.819 12.890 ( -4.520 -4.520 2.211) 6.764 13.012 ( -7.797 -7.797 4.400) 11.872 13.707 ( 6.785 6.785 1.691) 9.743 13.918 ( 4.573 4.573 -6.960) 9.501 15.090 ( -14.879 -14.879 18.505) 28.022 15.288 ( -16.167 -16.167 2.010) 22.951 15.476 ( -11.213 -11.213 -11.178) 19.402 15.974 ( -8.318 -8.318 1.748) 11.892 17.444 ( 3.074 3.074 -0.269) 4.356 17.856 ( 0.127 0.127 2.191) 2.199 17.975 ( 1.800 1.800 1.598) 3.006 18.345 ( 2.238 2.238 -3.228) 4.520 18.404 ( -1.987 -1.987 -1.318) 3.105 19.146 ( 28.212 28.212 -2.083) 39.953 20.201 ( -13.075 -13.075 0.691) 18.504 20.557 ( 18.127 18.127 5.643) 26.249 21.607 ( -4.187 -4.187 -2.926) 6.605 21.720 ( -10.708 -10.708 -0.752) 15.162 22.140 ( -1.228 -1.228 -1.664) 2.405 22.539 ( 1.162 1.162 -2.145) 2.702 ======================= Grid point 267 (55/63) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 2.746 -14.037 1.316) 14.364 1.886 ( 14.600 -7.555 6.261) 17.591 2.329 ( -3.712 -6.103 0.351) 7.152 2.619 ( 8.358 -5.160 -8.017) 12.679 2.938 ( 12.381 7.745 17.038) 22.441 3.190 ( 11.871 9.232 -5.775) 16.110 3.540 ( -7.896 -8.025 0.540) 11.271 3.607 ( 1.873 1.950 18.656) 18.851 3.915 ( -2.628 -1.749 4.706) 5.666 4.226 ( -0.819 8.871 -3.788) 9.681 4.334 ( 0.938 6.394 -13.643) 15.097 4.489 ( 12.043 10.463 1.340) 16.009 4.621 ( 14.205 12.601 2.074) 19.102 4.748 ( 11.603 3.049 -6.229) 13.518 5.153 ( 6.153 12.102 0.206) 13.578 5.390 ( -1.718 -0.150 -2.659) 3.169 5.698 ( -11.894 -15.376 -14.145) 24.041 6.417 ( -5.721 1.618 -0.526) 5.969 6.651 ( -3.328 -6.787 1.468) 7.700 6.805 ( -6.416 -7.725 3.822) 10.745 7.225 ( -2.789 -0.606 2.361) 3.704 7.283 ( 1.561 -0.084 3.407) 3.748 7.315 ( 0.601 -0.997 2.767) 3.002 7.557 ( -9.169 -4.929 -4.190) 11.221 9.042 ( 0.685 2.582 0.406) 2.702 9.235 ( -4.310 8.350 0.140) 9.397 9.667 ( 5.999 -11.253 0.374) 12.757 10.452 ( -12.424 -11.345 0.028) 16.825 10.709 ( 8.275 4.300 -3.341) 9.906 11.152 ( 2.405 0.773 0.855) 2.667 11.362 ( -4.796 2.507 -2.259) 5.865 11.627 ( -3.490 5.188 0.420) 6.267 11.847 ( 2.245 -5.104 -0.944) 5.655 12.607 ( -4.839 9.522 -0.514) 10.694 12.850 ( 0.519 -6.356 1.183) 6.486 12.914 ( -0.594 -10.092 1.287) 10.191 13.831 ( 5.114 6.571 1.805) 8.520 13.989 ( 2.185 5.477 -3.355) 6.784 14.823 ( -10.062 -10.943 11.176) 18.598 14.977 ( -12.942 -13.984 -3.146) 19.311 15.299 ( -6.107 -6.275 -3.614) 9.472 15.744 ( -12.920 -4.088 2.026) 13.702 17.640 ( 14.488 -12.222 -0.417) 18.959 17.815 ( -1.555 4.464 1.341) 4.914 18.091 ( 4.327 -3.742 5.272) 7.779 18.238 ( -2.735 3.059 -5.820) 7.122 18.500 ( 4.196 -7.032 -1.709) 8.365 19.580 ( -1.044 -3.254 -2.423) 4.190 19.929 ( 4.054 0.641 0.170) 4.108 20.937 ( 16.021 10.668 10.161) 21.765 21.464 ( -11.030 -7.817 1.020) 13.557 21.548 ( -4.986 -3.170 -4.945) 7.705 22.109 ( -1.071 2.411 -2.946) 3.955 22.514 ( -3.406 2.429 -1.928) 4.606 ======================= Grid point 268 (56/63) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 5.743 -18.322 0.663) 19.213 2.092 ( -3.616 -11.276 -1.153) 11.898 2.366 ( 15.893 -16.221 0.680) 22.719 2.828 ( 10.768 -7.775 -2.972) 13.610 3.066 ( -0.685 -0.947 10.225) 10.291 3.251 ( -17.268 -16.228 -1.617) 23.752 3.494 ( 16.848 3.819 10.056) 19.989 3.714 ( 6.589 8.198 3.164) 10.984 3.899 ( 0.859 5.314 5.179) 7.469 4.166 ( -5.485 8.750 2.567) 10.642 4.319 ( -1.549 5.985 -13.289) 14.657 4.539 ( -8.574 -5.917 7.534) 12.856 4.879 ( 10.040 4.154 5.426) 12.145 4.942 ( 8.367 6.048 -3.744) 10.982 5.227 ( 3.249 9.972 -3.591) 11.085 5.397 ( -2.577 2.619 -16.641) 17.042 5.644 ( 9.358 -0.377 -5.631) 10.928 6.228 ( -12.249 4.692 -1.350) 13.186 6.611 ( -0.643 -7.786 1.867) 8.032 6.688 ( -4.561 -8.580 3.553) 10.345 7.191 ( 0.105 -1.526 1.317) 2.018 7.319 ( 0.617 1.372 3.270) 3.600 7.337 ( 0.844 -0.522 2.341) 2.542 7.381 ( -6.650 -3.300 -2.682) 7.893 9.051 ( 0.448 4.150 0.272) 4.183 9.136 ( -4.346 7.150 0.053) 8.368 9.822 ( 8.371 -12.240 0.475) 14.836 10.210 ( -10.845 -12.654 0.135) 16.666 10.877 ( 8.158 3.213 -2.592) 9.143 11.224 ( -7.766 2.961 -2.185) 8.594 11.238 ( 5.377 3.726 0.767) 6.587 11.518 ( -6.591 6.103 0.665) 9.007 11.964 ( 8.589 -3.428 -0.472) 9.260 12.421 ( -11.352 3.354 0.108) 11.837 12.887 ( 2.424 -5.486 -0.182) 6.001 12.935 ( 1.002 -5.546 0.101) 5.636 13.918 ( 3.396 6.237 2.043) 7.389 14.005 ( -0.524 5.849 0.076) 5.873 14.690 ( -2.981 -9.287 3.646) 10.413 14.775 ( -6.750 -11.067 -4.281) 13.652 15.228 ( -0.498 -5.419 0.546) 5.469 15.482 ( -11.714 -3.683 2.106) 12.459 17.816 ( 1.567 3.769 1.048) 4.214 17.918 ( 4.430 -6.212 -0.032) 7.630 18.132 ( 10.845 -11.759 2.446) 16.182 18.327 ( 6.758 -9.538 -4.007) 12.357 18.547 ( 0.774 -8.309 -1.369) 8.456 19.164 ( -25.895 -30.151 -0.177) 39.745 20.351 ( 24.102 17.860 -1.333) 30.028 21.136 ( -4.619 9.826 2.369) 11.113 21.249 ( -1.881 -7.608 6.771) 10.356 21.446 ( -5.136 -1.821 -0.880) 5.520 22.133 ( 3.938 3.420 -3.974) 6.557 22.408 ( -6.614 2.900 -2.276) 7.572 ======================= Grid point 269 (57/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -8.819 -16.572 -1.342) 18.821 1.928 ( 8.819 -16.572 -1.342) 18.821 2.790 ( -21.561 -17.213 1.230) 27.617 2.790 ( 21.561 -17.213 1.230) 27.617 3.023 ( -7.609 -5.917 1.320) 9.729 3.023 ( 7.609 -5.917 1.320) 9.729 3.780 ( -5.074 1.920 9.776) 11.181 3.780 ( 5.074 1.920 9.776) 11.181 3.973 ( -10.190 11.750 -0.647) 15.566 3.973 ( 10.190 11.750 -0.647) 15.566 4.348 ( -5.974 -5.177 1.667) 8.079 4.348 ( 5.974 -5.177 1.667) 8.079 5.016 ( -2.289 5.330 -0.650) 5.837 5.016 ( 2.289 5.330 -0.650) 5.837 5.308 ( -4.680 5.054 -11.343) 13.271 5.308 ( 4.680 5.054 -11.343) 13.271 5.934 ( -15.597 6.479 -2.775) 17.115 5.934 ( 15.597 6.479 -2.775) 17.115 6.623 ( -1.833 -8.372 2.717) 8.991 6.623 ( 1.833 -8.372 2.717) 8.991 7.237 ( -4.297 -1.652 0.246) 4.610 7.237 ( 4.297 -1.652 0.246) 4.610 7.350 ( -0.505 -0.110 1.966) 2.033 7.350 ( 0.505 -0.110 1.966) 2.033 9.072 ( -1.844 5.689 0.136) 5.982 9.072 ( 1.844 5.689 0.136) 5.982 10.004 ( -9.310 -12.594 0.277) 15.664 10.004 ( 9.310 -12.594 0.277) 15.664 11.049 ( -8.589 2.680 -2.334) 9.296 11.049 ( 8.590 2.680 -2.334) 9.296 11.373 ( -7.135 5.600 0.881) 9.113 11.373 ( 7.135 5.600 0.881) 9.113 12.178 ( -11.652 -0.547 -0.124) 11.665 12.178 ( 11.652 -0.547 -0.124) 11.665 12.931 ( -1.440 -4.622 -0.348) 4.854 12.931 ( 1.440 -4.622 -0.348) 4.854 13.975 ( -2.205 5.971 1.916) 6.648 13.975 ( 2.205 5.971 1.916) 6.648 14.686 ( -2.170 -9.344 -1.952) 9.789 14.686 ( 2.170 -9.344 -1.952) 9.789 15.289 ( -6.480 -4.663 1.990) 8.228 15.289 ( 6.480 -4.663 1.990) 8.228 17.873 ( -3.715 3.490 1.010) 5.196 17.873 ( 3.715 3.490 1.010) 5.196 18.407 ( -3.128 -14.703 -2.385) 15.220 18.407 ( 3.128 -14.703 -2.385) 15.220 18.664 ( -18.644 -23.688 0.394) 30.148 18.664 ( 18.644 -23.688 0.394) 30.148 20.813 ( -20.159 11.138 -1.304) 23.068 20.813 ( 20.159 11.138 -1.304) 23.068 21.341 ( -5.114 -2.412 4.888) 7.474 21.341 ( 5.114 -2.412 4.888) 7.474 22.258 ( -7.386 3.177 -3.218) 8.661 22.258 ( 7.386 3.177 -3.218) 8.661 ======================= Grid point 278 (58/63) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -8.320 -8.320 2.167) 11.964 1.826 ( 2.472 2.472 6.959) 7.788 2.137 ( -12.130 -12.130 -0.830) 17.175 2.553 ( -0.136 -0.136 -10.559) 10.561 3.051 ( 2.351 2.351 14.640) 15.012 3.251 ( -14.688 -14.688 1.638) 20.836 3.385 ( 5.074 5.074 7.134) 10.119 3.736 ( 8.718 8.718 6.424) 13.903 3.929 ( 4.022 4.022 7.549) 9.452 4.366 ( 3.426 3.426 2.225) 5.331 4.384 ( -1.456 -1.456 -27.029) 27.107 4.691 ( 8.164 8.164 0.753) 11.570 4.731 ( -5.446 -5.446 13.470) 15.517 4.911 ( 14.137 14.137 -1.992) 20.092 5.353 ( 1.666 1.666 -5.340) 5.837 5.460 ( 14.189 14.189 0.148) 20.068 5.471 ( -6.146 -6.146 -18.734) 20.652 6.414 ( -2.480 -2.480 -0.115) 3.508 6.529 ( -4.695 -4.695 1.473) 6.801 6.644 ( -7.253 -7.253 3.771) 10.928 7.172 ( -2.630 -2.630 0.979) 3.846 7.302 ( 0.092 0.092 4.075) 4.077 7.328 ( 2.178 2.178 2.052) 3.701 7.428 ( -7.230 -7.230 -2.634) 10.559 9.091 ( 2.158 2.158 0.279) 3.065 9.393 ( 3.127 3.127 0.434) 4.443 9.472 ( -3.869 -3.869 0.105) 5.472 10.192 ( -12.432 -12.432 0.627) 17.592 10.817 ( 5.523 5.523 -2.914) 8.337 11.215 ( 4.983 4.983 0.837) 7.096 11.381 ( -1.368 -1.368 -2.774) 3.381 11.689 ( 0.106 0.106 0.515) 0.537 11.763 ( -1.355 -1.355 -0.103) 1.920 12.622 ( -10.469 -10.469 2.304) 14.984 12.802 ( 0.209 0.209 -2.327) 2.346 12.830 ( 5.405 5.405 -1.358) 7.764 13.948 ( 4.766 4.766 1.959) 7.019 14.073 ( 2.629 2.629 0.115) 3.720 14.619 ( -8.119 -8.119 6.911) 13.402 14.715 ( -10.792 -10.792 -3.339) 15.623 15.179 ( -4.909 -4.909 -2.323) 7.321 15.591 ( -10.180 -10.180 2.061) 14.544 17.518 ( 0.416 0.416 -0.098) 0.597 17.907 ( 2.251 2.251 1.801) 3.658 18.014 ( 0.042 0.042 1.875) 1.876 18.335 ( -1.268 -1.268 -1.702) 2.472 18.335 ( -3.132 -3.132 -3.157) 5.439 19.115 ( -27.929 -27.929 -0.136) 39.498 20.280 ( 20.346 20.346 -1.523) 28.813 21.119 ( 4.977 4.977 10.572) 12.701 21.292 ( -5.646 -5.646 1.221) 8.077 21.506 ( -2.323 -2.323 -6.174) 6.994 22.145 ( 1.420 1.420 -2.332) 3.077 22.511 ( -2.581 -2.581 -1.579) 3.977 ======================= Grid point 279 (59/63) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.874 -19.023 1.996) 19.219 1.818 ( -14.004 -15.765 -0.520) 21.093 2.030 ( 12.849 -14.176 3.309) 19.417 2.635 ( 7.938 -9.335 -9.171) 15.305 2.844 ( -21.372 -20.239 -0.508) 29.438 3.027 ( -5.895 -6.272 2.939) 9.096 3.530 ( 8.476 1.208 26.704) 28.043 3.876 ( 1.531 4.224 8.893) 9.963 4.077 ( 9.222 11.446 3.669) 15.150 4.253 ( -7.011 -2.993 -4.765) 8.990 4.397 ( -1.339 4.042 2.915) 5.161 4.524 ( -8.739 7.229 -14.977) 18.787 4.908 ( 10.133 -0.149 -3.336) 10.669 5.155 ( 6.406 11.802 -2.781) 13.714 5.345 ( -1.082 -1.513 -8.555) 8.755 5.443 ( 1.697 6.206 -7.834) 10.137 5.778 ( 15.520 10.703 -0.491) 18.859 6.303 ( -8.329 1.989 -0.274) 8.567 6.465 ( -1.484 -5.933 1.685) 6.344 6.523 ( -4.343 -7.014 3.032) 8.789 7.140 ( -0.200 -2.781 0.396) 2.817 7.278 ( -6.450 -5.174 -1.096) 8.341 7.316 ( 1.048 -0.927 3.543) 3.810 7.357 ( 0.323 0.405 2.526) 2.579 9.132 ( 1.974 3.549 0.194) 4.066 9.280 ( -6.157 6.261 0.159) 8.783 9.595 ( 8.000 -9.356 0.431) 12.318 9.956 ( -10.329 -11.565 0.588) 15.517 10.945 ( 7.088 4.001 -2.679) 8.568 11.283 ( -7.542 2.916 -2.794) 8.555 11.340 ( 6.737 5.495 0.821) 8.732 11.616 ( -5.539 3.282 0.574) 6.464 11.855 ( 8.874 -6.899 0.355) 11.246 12.365 ( -13.452 -8.312 1.109) 15.852 12.848 ( 3.578 1.556 -2.531) 4.651 12.921 ( 2.224 3.453 -1.516) 4.378 14.026 ( 2.895 4.320 2.563) 5.798 14.096 ( -0.286 2.865 3.255) 4.346 14.505 ( -2.922 -8.135 1.959) 8.863 14.550 ( -5.129 -10.072 -4.047) 12.005 15.118 ( -0.435 -4.743 -0.209) 4.767 15.363 ( -10.968 -7.495 1.759) 13.400 17.638 ( 10.437 -12.384 -0.279) 16.198 17.907 ( -0.097 4.056 1.065) 4.195 18.069 ( 1.034 -4.295 4.833) 6.547 18.196 ( -4.199 -2.133 -5.612) 7.327 18.371 ( -0.287 -7.659 -1.475) 7.805 18.576 ( -22.165 -24.776 0.545) 33.248 20.661 ( 16.018 11.824 -1.422) 19.960 21.080 ( -5.774 -6.705 0.624) 8.871 21.292 ( 2.622 4.417 8.880) 10.258 21.444 ( -3.781 1.044 -4.084) 5.663 22.191 ( 3.541 2.177 -2.258) 4.730 22.421 ( -5.726 -1.411 -1.618) 6.115 ======================= Grid point 280 (60/63) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -11.974 -21.679 0.322) 24.768 1.528 ( 11.974 -21.679 0.322) 24.768 2.398 ( -20.907 -19.512 -0.009) 28.598 2.398 ( 20.907 -19.512 -0.009) 28.598 2.844 ( -10.936 -11.610 -4.243) 16.504 2.844 ( 10.936 -11.610 -4.243) 16.504 3.738 ( -11.082 -4.437 28.257) 30.675 3.738 ( 11.082 -4.437 28.257) 30.675 4.214 ( -1.332 11.559 -5.147) 12.723 4.214 ( 1.332 11.559 -5.147) 12.723 4.385 ( -3.539 7.130 -8.983) 12.002 4.385 ( 3.539 7.130 -8.983) 12.002 5.099 ( -7.858 1.370 -7.284) 10.802 5.099 ( 7.858 1.370 -7.284) 10.802 5.420 ( -4.213 6.411 -4.335) 8.811 5.420 ( 4.213 6.411 -4.335) 8.811 6.079 ( -13.125 6.841 -0.542) 14.810 6.079 ( 13.125 6.841 -0.542) 14.810 6.465 ( -1.373 -6.562 2.250) 7.072 6.465 ( 1.373 -6.562 2.250) 7.072 7.172 ( -3.435 -3.867 -0.287) 5.180 7.172 ( 3.435 -3.867 -0.287) 5.180 7.344 ( -1.323 -0.760 3.184) 3.531 7.344 ( 1.323 -0.760 3.184) 3.531 9.183 ( -3.302 4.831 0.145) 5.854 9.183 ( 3.302 4.831 0.145) 5.854 9.763 ( -8.554 -10.395 0.515) 13.472 9.763 ( 8.554 -10.395 0.515) 13.472 11.109 ( -8.646 3.718 -2.702) 9.792 11.109 ( 8.646 3.718 -2.702) 9.792 11.484 ( -6.990 4.627 0.741) 8.415 11.484 ( 6.990 4.627 0.741) 8.415 12.088 ( -12.965 -7.968 0.590) 15.229 12.088 ( 12.965 -7.968 0.590) 15.229 12.917 ( -2.316 2.887 -2.088) 4.249 12.917 ( 2.316 2.887 -2.088) 4.249 14.073 ( -1.733 3.501 3.822) 5.465 14.073 ( 1.733 3.501 3.822) 5.465 14.490 ( -1.112 -9.204 -2.398) 9.576 14.490 ( 1.112 -9.204 -2.398) 9.576 15.177 ( -6.278 -5.680 1.197) 8.551 15.177 ( 6.278 -5.680 1.197) 8.551 17.872 ( -7.539 -9.484 -0.476) 12.125 17.872 ( 7.539 -9.484 -0.476) 12.125 18.073 ( -5.257 -8.783 1.664) 10.370 18.073 ( 5.257 -8.783 1.664) 10.370 18.354 ( -1.446 -8.309 -1.605) 8.585 18.354 ( 1.446 -8.309 -1.605) 8.585 20.926 ( -9.732 0.871 -0.659) 9.793 20.926 ( 9.732 0.871 -0.659) 9.793 21.358 ( -4.013 3.344 2.679) 5.871 21.358 ( 4.013 3.344 2.679) 5.871 22.294 ( -6.083 0.455 -1.956) 6.406 22.294 ( 6.083 0.455 -1.956) 6.406 ======================= Grid point 290 (61/63) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -9.258 -9.258 2.611) 13.351 1.428 ( -20.404 -20.404 0.310) 28.857 1.882 ( 0.449 0.449 5.272) 5.310 2.411 ( -20.709 -20.709 -0.582) 29.293 2.510 ( -1.497 -1.497 -12.076) 12.261 2.832 ( -12.121 -12.121 -4.462) 17.713 3.574 ( 3.166 3.166 31.505) 31.821 3.807 ( -7.799 -7.799 28.198) 30.278 4.296 ( 7.379 7.379 -1.889) 10.605 4.325 ( 11.134 11.134 -12.469) 20.085 4.483 ( 2.135 2.135 4.165) 5.144 4.632 ( 0.848 0.848 -29.423) 29.447 4.928 ( 3.824 3.824 0.675) 5.450 5.223 ( -6.178 -6.178 -9.683) 13.042 5.412 ( 9.327 9.327 -1.142) 13.239 5.559 ( 3.339 3.339 -2.398) 5.297 6.005 ( 10.466 10.466 0.057) 14.802 6.296 ( -2.738 -2.738 -0.133) 3.875 6.378 ( -2.390 -2.390 1.502) 3.698 6.410 ( -3.833 -3.833 2.239) 5.865 7.095 ( -1.261 -1.261 0.195) 1.793 7.170 ( -4.769 -4.769 -0.739) 6.784 7.305 ( 0.132 0.132 3.851) 3.856 7.350 ( -1.051 -1.051 3.235) 3.560 9.198 ( 2.973 2.973 0.139) 4.206 9.342 ( -2.200 -2.200 0.038) 3.111 9.492 ( 1.494 1.494 0.705) 2.227 9.744 ( -8.907 -8.907 0.738) 12.618 11.054 ( 6.577 6.577 -2.927) 9.750 11.310 ( -1.810 -1.810 -3.441) 4.289 11.452 ( 5.409 5.409 0.721) 7.684 11.663 ( -1.009 -1.009 0.632) 1.561 11.734 ( -0.284 -0.284 0.783) 0.880 12.140 ( -12.433 -12.433 0.764) 17.599 12.923 ( 4.718 4.718 -2.682) 7.192 13.000 ( 2.732 2.732 -1.630) 4.193 14.097 ( 2.441 2.441 2.362) 4.183 14.126 ( 0.362 0.362 5.053) 5.079 14.365 ( -5.081 -5.081 1.572) 7.356 14.389 ( -5.237 -5.237 -4.557) 8.696 15.052 ( -1.275 -1.275 -0.238) 1.819 15.199 ( -7.620 -7.620 0.878) 10.811 17.498 ( -0.963 -0.963 0.166) 1.373 17.853 ( -12.310 -12.310 -0.752) 17.425 17.992 ( -0.809 -0.809 1.781) 2.117 18.093 ( -6.348 -6.348 3.049) 9.482 18.276 ( -3.668 -3.668 -2.646) 5.824 18.300 ( -0.474 -0.474 -1.787) 1.908 20.835 ( 5.428 5.428 -0.438) 7.689 20.973 ( -3.769 -3.769 -0.246) 5.336 21.363 ( 3.213 3.213 5.666) 7.263 21.460 ( -0.154 -0.154 -2.337) 2.347 22.232 ( 2.150 2.150 -1.452) 3.369 22.365 ( -3.623 -3.623 -1.306) 5.288 ======================= Grid point 291 (62/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -10.889 -20.079 1.735) 22.907 1.078 ( 10.889 -20.079 1.735) 22.907 2.039 ( -14.037 -13.827 2.792) 19.900 2.039 ( 14.037 -13.827 2.792) 19.900 2.594 ( -9.132 -10.759 -10.217) 17.422 2.594 ( 9.132 -10.759 -10.217) 17.422 3.663 ( -5.622 -2.337 31.425) 32.010 3.663 ( 5.622 -2.337 31.425) 32.010 4.433 ( -4.103 8.755 -2.071) 9.888 4.433 ( 4.103 8.755 -2.071) 9.888 4.549 ( -7.148 7.476 -17.486) 20.316 4.549 ( 7.148 7.476 -17.486) 20.316 5.067 ( -8.177 -3.642 -5.376) 10.442 5.067 ( 8.177 -3.642 -5.376) 10.442 5.555 ( -3.803 5.652 -1.382) 6.951 5.555 ( 3.803 5.652 -1.382) 6.951 6.191 ( -7.287 3.761 -0.084) 8.201 6.191 ( 7.287 3.761 -0.084) 8.201 6.363 ( -0.801 -3.171 1.631) 3.654 6.363 ( 0.801 -3.171 1.631) 3.654 7.099 ( -1.837 -2.830 -0.114) 3.376 7.099 ( 1.837 -2.830 -0.114) 3.376 7.322 ( -1.351 -1.110 3.646) 4.043 7.322 ( 1.351 -1.110 3.646) 4.043 9.264 ( -3.675 2.932 0.096) 4.702 9.264 ( 3.675 2.932 0.096) 4.702 9.588 ( -6.332 -6.305 0.751) 8.967 9.588 ( 6.332 -6.305 0.751) 8.967 11.203 ( -7.277 4.875 -3.249) 9.343 11.203 ( 7.277 4.875 -3.249) 9.343 11.564 ( -5.489 3.624 0.656) 6.610 11.564 ( 5.489 3.624 0.656) 6.610 11.887 ( -11.227 -10.389 0.617) 15.309 11.887 ( 11.227 -10.389 0.617) 15.309 13.004 ( -2.338 4.365 -2.043) 5.357 13.004 ( 2.338 4.365 -2.043) 5.357 14.125 ( -0.465 1.768 3.841) 4.254 14.125 ( 0.465 1.768 3.841) 4.254 14.324 ( -1.034 -6.501 -1.546) 6.762 14.324 ( 1.034 -6.501 -1.546) 6.762 15.077 ( -3.766 -3.650 0.124) 5.246 15.077 ( 3.766 -3.650 0.124) 5.246 17.593 ( -9.793 -11.367 -0.095) 15.004 17.593 ( 9.793 -11.367 -0.095) 15.004 18.005 ( -2.426 -2.596 2.224) 4.192 18.005 ( 2.426 -2.596 2.224) 4.192 18.281 ( -1.604 0.067 -2.102) 2.645 18.281 ( 1.604 0.067 -2.102) 2.645 20.911 ( -2.699 -1.303 -0.113) 2.999 20.911 ( 2.699 -1.303 -0.113) 2.999 21.428 ( -2.763 2.717 1.261) 4.075 21.428 ( 2.763 2.717 1.261) 4.075 22.289 ( -3.382 -0.600 -1.236) 3.651 22.289 ( 3.382 -0.600 -1.236) 3.651 ======================= Grid point 307 (63/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 0.000 2.567) 2.567 0.833 ( 0.000 0.000 2.567) 2.567 1.886 ( 0.000 0.000 5.044) 5.044 1.886 ( 0.000 0.000 5.044) 5.044 2.472 ( 0.000 0.000 -12.948) 12.948 2.472 ( 0.000 0.000 -12.948) 12.948 3.640 ( 0.000 0.000 31.366) 31.366 3.640 ( 0.000 0.000 31.366) 31.366 4.530 ( 0.000 0.000 5.226) 5.226 4.530 ( 0.000 0.000 5.226) 5.226 4.644 ( -0.000 -0.000 -30.493) 30.493 4.644 ( 0.000 0.000 -30.493) 30.493 5.009 ( 0.000 0.000 0.880) 0.880 5.009 ( 0.000 0.000 0.880) 0.880 5.618 ( 0.000 0.000 -1.185) 1.185 5.618 ( 0.000 0.000 -1.185) 1.185 6.230 ( 0.000 0.000 -0.040) 0.040 6.230 ( 0.000 0.000 -0.040) 0.040 6.332 ( 0.000 0.000 1.306) 1.306 6.332 ( 0.000 0.000 1.306) 1.306 7.068 ( 0.000 0.000 0.046) 0.046 7.068 ( 0.000 0.000 0.046) 0.046 7.309 ( 0.000 0.000 3.782) 3.782 7.309 ( 0.000 0.000 3.782) 3.782 9.297 ( 0.000 0.000 -0.009) 0.009 9.297 ( 0.000 0.000 -0.009) 0.009 9.519 ( 0.000 0.000 0.915) 0.915 9.519 ( 0.000 0.000 0.915) 0.915 11.265 ( 0.000 0.000 -3.708) 3.708 11.265 ( 0.000 0.000 -3.708) 3.708 11.637 ( 0.000 0.000 0.648) 0.648 11.637 ( 0.000 0.000 0.648) 0.648 11.729 ( 0.000 0.000 0.767) 0.767 11.729 ( 0.000 0.000 0.767) 0.767 13.055 ( 0.000 0.000 -1.796) 1.796 13.055 ( 0.000 0.000 -1.796) 1.796 14.147 ( 0.000 0.000 2.565) 2.565 14.147 ( 0.000 0.000 2.565) 2.565 14.247 ( 0.000 0.000 -0.013) 0.013 14.247 ( 0.000 0.000 -0.013) 0.013 15.038 ( 0.000 0.000 -0.370) 0.370 15.038 ( 0.000 0.000 -0.370) 0.370 17.472 ( 0.000 0.000 0.313) 0.313 17.472 ( 0.000 0.000 0.313) 0.313 17.971 ( 0.000 0.000 1.621) 1.621 17.971 ( 0.000 0.000 1.621) 1.621 18.291 ( 0.000 0.000 -1.730) 1.730 18.291 ( 0.000 0.000 -1.730) 1.730 20.895 ( 0.000 0.000 -0.028) 0.028 20.895 ( 0.000 0.000 -0.028) 0.028 21.457 ( 0.000 0.000 0.900) 0.900 21.457 ( 0.000 0.000 0.900) 0.900 22.281 ( 0.000 0.000 -1.001) 1.001 22.281 ( 0.000 0.000 -1.001) 1.001 =================== 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 3/27000 10.0 2270.942 2270.942 3292.153 0.000 0.000 0.000 3/27000 20.0 540.549 540.549 677.794 0.000 0.000 0.000 3/27000 30.0 238.801 238.801 284.479 0.000 0.000 0.000 3/27000 40.0 142.873 142.873 156.873 0.000 0.000 0.000 3/27000 50.0 99.423 99.423 104.329 0.000 0.000 0.000 3/27000 60.0 75.467 75.467 77.563 0.000 0.000 0.000 3/27000 70.0 60.512 60.512 61.627 -0.000 0.000 0.000 3/27000 80.0 50.358 50.358 51.066 -0.000 0.000 0.000 3/27000 90.0 43.038 43.038 43.535 -0.000 0.000 0.000 3/27000 100.0 37.525 37.525 37.884 -0.000 0.000 0.000 3/27000 110.0 33.230 33.230 33.485 -0.000 0.000 0.000 3/27000 120.0 29.796 29.796 29.964 -0.000 0.000 0.000 3/27000 130.0 26.992 26.992 27.086 -0.000 0.000 0.000 3/27000 140.0 24.662 24.662 24.692 -0.000 0.000 0.000 3/27000 150.0 22.698 22.698 22.672 -0.000 0.000 0.000 3/27000 160.0 21.023 21.023 20.948 -0.000 0.000 0.000 3/27000 170.0 19.578 19.578 19.460 -0.000 0.000 0.000 3/27000 180.0 18.320 18.320 18.164 -0.000 0.000 0.000 3/27000 190.0 17.215 17.215 17.027 -0.000 0.000 0.000 3/27000 200.0 16.238 16.238 16.021 -0.000 0.000 0.000 3/27000 210.0 15.368 15.368 15.126 -0.000 0.000 0.000 3/27000 220.0 14.588 14.588 14.325 -0.000 0.000 0.000 3/27000 230.0 13.886 13.886 13.604 -0.000 0.000 0.000 3/27000 240.0 13.250 13.250 12.952 -0.000 0.000 0.000 3/27000 250.0 12.671 12.671 12.360 -0.000 0.000 0.000 3/27000 260.0 12.141 12.141 11.820 -0.000 0.000 0.000 3/27000 270.0 11.656 11.656 11.325 -0.000 0.000 0.000 3/27000 280.0 11.209 11.209 10.870 -0.000 0.000 0.000 3/27000 290.0 10.796 10.796 10.451 -0.000 0.000 0.000 3/27000 300.0 10.413 10.413 10.063 -0.000 0.000 0.000 3/27000 310.0 10.057 10.057 9.703 -0.000 0.000 0.000 3/27000 320.0 9.725 9.725 9.369 -0.000 0.000 0.000 3/27000 330.0 9.416 9.416 9.057 -0.000 0.000 0.000 3/27000 340.0 9.125 9.125 8.765 -0.000 0.000 0.000 3/27000 350.0 8.853 8.853 8.492 -0.000 0.000 0.000 3/27000 360.0 8.596 8.596 8.236 -0.000 0.000 0.000 3/27000 370.0 8.355 8.355 7.995 -0.000 0.000 0.000 3/27000 380.0 8.127 8.127 7.767 -0.000 0.000 0.000 3/27000 390.0 7.911 7.911 7.553 -0.000 0.000 0.000 3/27000 400.0 7.707 7.707 7.350 -0.000 0.000 0.000 3/27000 410.0 7.513 7.513 7.159 -0.000 0.000 0.000 3/27000 420.0 7.329 7.329 6.977 -0.000 0.000 0.000 3/27000 430.0 7.154 7.154 6.804 -0.000 0.000 0.000 3/27000 440.0 6.987 6.987 6.640 -0.000 0.000 0.000 3/27000 450.0 6.828 6.828 6.483 -0.000 0.000 0.000 3/27000 460.0 6.676 6.676 6.334 -0.000 0.000 0.000 3/27000 470.0 6.531 6.531 6.192 -0.000 0.000 0.000 3/27000 480.0 6.392 6.392 6.056 -0.000 0.000 0.000 3/27000 490.0 6.259 6.259 5.926 -0.000 0.000 0.000 3/27000 500.0 6.131 6.131 5.801 -0.000 0.000 0.000 3/27000 510.0 6.009 6.009 5.682 -0.000 0.000 0.000 3/27000 520.0 5.891 5.891 5.568 -0.000 0.000 0.000 3/27000 530.0 5.778 5.778 5.458 -0.000 0.000 0.000 3/27000 540.0 5.669 5.669 5.353 -0.000 0.000 0.000 3/27000 550.0 5.565 5.565 5.251 -0.000 0.000 0.000 3/27000 560.0 5.464 5.464 5.154 -0.000 0.000 0.000 3/27000 570.0 5.367 5.367 5.060 -0.000 0.000 0.000 3/27000 580.0 5.273 5.273 4.969 -0.000 0.000 0.000 3/27000 590.0 5.182 5.182 4.882 -0.000 0.000 0.000 3/27000 600.0 5.095 5.095 4.797 -0.000 0.000 0.000 3/27000 610.0 5.011 5.011 4.716 -0.000 0.000 0.000 3/27000 620.0 4.929 4.929 4.637 -0.000 0.000 0.000 3/27000 630.0 4.850 4.850 4.561 -0.000 0.000 0.000 3/27000 640.0 4.773 4.773 4.488 -0.000 0.000 0.000 3/27000 650.0 4.699 4.699 4.417 -0.000 0.000 0.000 3/27000 660.0 4.627 4.627 4.348 -0.000 0.000 0.000 3/27000 670.0 4.557 4.557 4.281 -0.000 0.000 0.000 3/27000 680.0 4.490 4.490 4.216 -0.000 0.000 0.000 3/27000 690.0 4.424 4.424 4.153 -0.000 0.000 0.000 3/27000 700.0 4.361 4.361 4.092 -0.000 0.000 0.000 3/27000 710.0 4.299 4.299 4.033 -0.000 0.000 0.000 3/27000 720.0 4.238 4.238 3.976 -0.000 0.000 0.000 3/27000 730.0 4.180 4.180 3.920 -0.000 0.000 0.000 3/27000 740.0 4.123 4.123 3.866 -0.000 0.000 0.000 3/27000 750.0 4.068 4.068 3.813 -0.000 0.000 0.000 3/27000 760.0 4.014 4.014 3.762 -0.000 0.000 0.000 3/27000 770.0 3.961 3.961 3.712 -0.000 0.000 0.000 3/27000 780.0 3.910 3.910 3.663 -0.000 0.000 0.000 3/27000 790.0 3.860 3.860 3.616 -0.000 0.000 0.000 3/27000 800.0 3.812 3.812 3.570 -0.000 0.000 0.000 3/27000 810.0 3.765 3.765 3.525 -0.000 0.000 0.000 3/27000 820.0 3.718 3.718 3.481 -0.000 0.000 0.000 3/27000 830.0 3.673 3.673 3.438 -0.000 0.000 0.000 3/27000 840.0 3.629 3.629 3.396 -0.000 0.000 0.000 3/27000 850.0 3.587 3.587 3.356 -0.000 0.000 0.000 3/27000 860.0 3.545 3.545 3.316 -0.000 0.000 0.000 3/27000 870.0 3.504 3.504 3.277 -0.000 0.000 0.000 3/27000 880.0 3.464 3.464 3.239 -0.000 0.000 0.000 3/27000 890.0 3.425 3.425 3.202 -0.000 0.000 0.000 3/27000 900.0 3.386 3.386 3.166 -0.000 0.000 0.000 3/27000 910.0 3.349 3.349 3.131 -0.000 0.000 0.000 3/27000 920.0 3.312 3.312 3.096 -0.000 0.000 0.000 3/27000 930.0 3.277 3.277 3.062 -0.000 0.000 0.000 3/27000 940.0 3.242 3.242 3.029 -0.000 0.000 0.000 3/27000 950.0 3.207 3.207 2.997 -0.000 0.000 0.000 3/27000 960.0 3.174 3.174 2.965 -0.000 0.000 0.000 3/27000 970.0 3.141 3.141 2.934 -0.000 0.000 0.000 3/27000 980.0 3.109 3.109 2.904 -0.000 0.000 0.000 3/27000 990.0 3.077 3.077 2.874 -0.000 0.000 0.000 3/27000 1000.0 3.047 3.047 2.845 -0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|