----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:10:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 3.100420550000000 Atomic positions (fractional): *1 Mg 0.33717511845851 0.36717290981196 0.25000000000000 24.305 2 Mg 0.36717290981196 0.02999779135345 0.75000000000000 24.305 3 Mg 0.66282488154149 0.63282709018804 0.75000000000000 24.305 4 Mg 0.02999779135345 0.66282488154149 0.25000000000000 24.305 5 Mg 0.63282709018804 0.97000220864655 0.25000000000000 24.305 6 Mg 0.97000220864655 0.33717511845851 0.75000000000000 24.305 *7 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 8 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 *9 O 0.60398317897809 0.44977584587871 0.25000000000000 15.999 10 O 0.44977584587871 0.84579266690062 0.75000000000000 15.999 11 O 0.84579266690062 0.39601682102191 0.25000000000000 15.999 12 O 0.15420733309938 0.60398317897809 0.75000000000000 15.999 13 O 0.39601682102191 0.55022415412129 0.75000000000000 15.999 14 O 0.55022415412129 0.15420733309938 0.25000000000000 15.999 *15 F 0.91029901725338 0.70003801527460 0.75000000000000 18.998 16 F 0.29996198472540 0.21026100197878 0.75000000000000 18.998 17 F 0.08970098274662 0.29996198472540 0.25000000000000 18.998 18 F 0.21026100197878 0.91029901725338 0.25000000000000 18.998 19 F 0.70003801527460 0.78973899802122 0.25000000000000 18.998 20 F 0.78973899802122 0.08970098274662 0.75000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 3.100420550000000 Atomic positions (fractional): *1 Mg 0.33717511845851 0.36717290981196 0.25000000000000 24.305 > 1 2 Mg 0.36717290981196 0.02999779135345 0.75000000000000 24.305 > 2 3 Mg 0.66282488154149 0.63282709018804 0.75000000000000 24.305 > 3 4 Mg 0.02999779135345 0.66282488154149 0.25000000000000 24.305 > 4 5 Mg 0.63282709018804 0.97000220864655 0.25000000000000 24.305 > 5 6 Mg 0.97000220864655 0.33717511845851 0.75000000000000 24.305 > 6 *7 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 > 7 8 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 > 8 *9 O 0.60398317897809 0.44977584587871 0.25000000000000 15.999 > 9 10 O 0.44977584587871 0.84579266690062 0.75000000000000 15.999 > 10 11 O 0.84579266690062 0.39601682102191 0.25000000000000 15.999 > 11 12 O 0.15420733309938 0.60398317897809 0.75000000000000 15.999 > 12 13 O 0.39601682102191 0.55022415412129 0.75000000000000 15.999 > 13 14 O 0.55022415412129 0.15420733309938 0.25000000000000 15.999 > 14 *15 F 0.91029901725338 0.70003801527460 0.75000000000000 18.998 > 15 16 F 0.29996198472540 0.21026100197878 0.75000000000000 18.998 > 16 17 F 0.08970098274662 0.29996198472540 0.25000000000000 18.998 > 17 18 F 0.21026100197878 0.91029901725338 0.25000000000000 18.998 > 18 19 F 0.70003801527460 0.78973899802122 0.25000000000000 18.998 > 19 20 F 0.78973899802122 0.08970098274662 0.75000000000000 18.998 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 9.301261650000001 Atomic positions (fractional): *1 Mg 0.33717511845851 0.36717290981196 0.08333333333333 24.305 > 1 2 Mg 0.33717511845851 0.36717290981196 0.41666666666667 24.305 > 1 3 Mg 0.33717511845851 0.36717290981196 0.75000000000000 24.305 > 1 4 Mg 0.36717290981196 0.02999779135345 0.25000000000000 24.305 > 2 5 Mg 0.36717290981196 0.02999779135345 0.58333333333333 24.305 > 2 6 Mg 0.36717290981196 0.02999779135345 0.91666666666667 24.305 > 2 7 Mg 0.66282488154149 0.63282709018804 0.25000000000000 24.305 > 3 8 Mg 0.66282488154149 0.63282709018804 0.58333333333333 24.305 > 3 9 Mg 0.66282488154149 0.63282709018804 0.91666666666667 24.305 > 3 10 Mg 0.02999779135345 0.66282488154149 0.08333333333333 24.305 > 4 11 Mg 0.02999779135345 0.66282488154149 0.41666666666667 24.305 > 4 12 Mg 0.02999779135345 0.66282488154149 0.75000000000000 24.305 > 4 13 Mg 0.63282709018804 0.97000220864655 0.08333333333333 24.305 > 5 14 Mg 0.63282709018804 0.97000220864655 0.41666666666667 24.305 > 5 15 Mg 0.63282709018804 0.97000220864655 0.75000000000000 24.305 > 5 16 Mg 0.97000220864655 0.33717511845851 0.25000000000000 24.305 > 6 17 Mg 0.97000220864655 0.33717511845851 0.58333333333333 24.305 > 6 18 Mg 0.97000220864655 0.33717511845851 0.91666666666667 24.305 > 6 *19 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 7 20 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 21 B 0.66666666666667 0.33333333333333 0.75000000000000 10.811 > 7 22 B 0.33333333333333 0.66666666666667 0.25000000000000 10.811 > 8 23 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 8 24 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 8 *25 O 0.60398317897809 0.44977584587871 0.08333333333333 15.999 > 9 26 O 0.60398317897809 0.44977584587871 0.41666666666667 15.999 > 9 27 O 0.60398317897809 0.44977584587871 0.75000000000000 15.999 > 9 28 O 0.44977584587871 0.84579266690062 0.25000000000000 15.999 > 10 29 O 0.44977584587871 0.84579266690062 0.58333333333333 15.999 > 10 30 O 0.44977584587871 0.84579266690062 0.91666666666667 15.999 > 10 31 O 0.84579266690062 0.39601682102191 0.08333333333333 15.999 > 11 32 O 0.84579266690062 0.39601682102191 0.41666666666667 15.999 > 11 33 O 0.84579266690062 0.39601682102191 0.75000000000000 15.999 > 11 34 O 0.15420733309938 0.60398317897809 0.25000000000000 15.999 > 12 35 O 0.15420733309938 0.60398317897809 0.58333333333333 15.999 > 12 36 O 0.15420733309938 0.60398317897809 0.91666666666667 15.999 > 12 37 O 0.39601682102191 0.55022415412129 0.25000000000000 15.999 > 13 38 O 0.39601682102191 0.55022415412129 0.58333333333333 15.999 > 13 39 O 0.39601682102191 0.55022415412129 0.91666666666667 15.999 > 13 40 O 0.55022415412129 0.15420733309938 0.08333333333333 15.999 > 14 41 O 0.55022415412129 0.15420733309938 0.41666666666667 15.999 > 14 42 O 0.55022415412129 0.15420733309938 0.75000000000000 15.999 > 14 *43 F 0.91029901725338 0.70003801527460 0.25000000000000 18.998 > 15 44 F 0.91029901725338 0.70003801527460 0.58333333333333 18.998 > 15 45 F 0.91029901725338 0.70003801527460 0.91666666666667 18.998 > 15 46 F 0.29996198472540 0.21026100197878 0.25000000000000 18.998 > 16 47 F 0.29996198472540 0.21026100197878 0.58333333333333 18.998 > 16 48 F 0.29996198472540 0.21026100197878 0.91666666666667 18.998 > 16 49 F 0.08970098274662 0.29996198472540 0.08333333333333 18.998 > 17 50 F 0.08970098274662 0.29996198472540 0.41666666666667 18.998 > 17 51 F 0.08970098274662 0.29996198472540 0.75000000000000 18.998 > 17 52 F 0.21026100197878 0.91029901725338 0.08333333333333 18.998 > 18 53 F 0.21026100197878 0.91029901725338 0.41666666666667 18.998 > 18 54 F 0.21026100197878 0.91029901725338 0.75000000000000 18.998 > 18 55 F 0.70003801527460 0.78973899802122 0.08333333333333 18.998 > 19 56 F 0.70003801527460 0.78973899802122 0.41666666666667 18.998 > 19 57 F 0.70003801527460 0.78973899802122 0.75000000000000 18.998 > 19 58 F 0.78973899802122 0.08970098274662 0.25000000000000 18.998 > 20 59 F 0.78973899802122 0.08970098274662 0.58333333333333 18.998 > 20 60 F 0.78973899802122 0.08970098274662 0.91666666666667 18.998 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4074271 0.0000008 0.0000000 -0.0000008 2.4074271 0.0000000 0.0000000 0.0000000 2.3334947 -------------------------- Born effective charges -------------------------- 1 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 2 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 3 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 4 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 5 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 6 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 7 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 8 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 9 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 10 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 11 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 12 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 13 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 14 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 15 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 16 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 17 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 18 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 19 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 20 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 488 Number of blocks in projector: 219 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (488, 471), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (76, 72), data: True |-- (126, 126), data: True |-- (280, 267), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.200 Solver_block: 200 / 240 - Time: 0.209 Solver_block: 240 / 240 - Time: 0.099 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.515 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 488 Number of blocks in projector: 219 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (488, 471), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (76, 72), data: True |-- (126, 126), data: True |-- (280, 267), 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 11:10:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:10:55]------------------------- 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): [1 1 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 3.100420550000000 Atomic positions (fractional): 1 Mg 0.33717511845851 0.36717290981196 0.25000000000000 24.305 2 Mg 0.36717290981196 0.02999779135345 0.75000000000000 24.305 3 Mg 0.66282488154149 0.63282709018804 0.75000000000000 24.305 4 Mg 0.02999779135345 0.66282488154149 0.25000000000000 24.305 5 Mg 0.63282709018804 0.97000220864655 0.25000000000000 24.305 6 Mg 0.97000220864655 0.33717511845851 0.75000000000000 24.305 7 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 8 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 9 O 0.60398317897809 0.44977584587871 0.25000000000000 15.999 10 O 0.44977584587871 0.84579266690062 0.75000000000000 15.999 11 O 0.84579266690062 0.39601682102191 0.25000000000000 15.999 12 O 0.15420733309938 0.60398317897809 0.75000000000000 15.999 13 O 0.39601682102191 0.55022415412129 0.75000000000000 15.999 14 O 0.55022415412129 0.15420733309938 0.25000000000000 15.999 15 F 0.91029901725338 0.70003801527460 0.75000000000000 18.998 16 F 0.29996198472540 0.21026100197878 0.75000000000000 18.998 17 F 0.08970098274662 0.29996198472540 0.25000000000000 18.998 18 F 0.21026100197878 0.91029901725338 0.25000000000000 18.998 19 F 0.70003801527460 0.78973899802122 0.25000000000000 18.998 20 F 0.78973899802122 0.08970098274662 0.75000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 9.301261650000001 Atomic positions (fractional): 1 Mg 0.33717511845851 0.36717290981196 0.08333333333333 24.305 > 1 2 Mg 0.33717511845851 0.36717290981196 0.41666666666667 24.305 > 1 3 Mg 0.33717511845851 0.36717290981196 0.75000000000000 24.305 > 1 4 Mg 0.36717290981196 0.02999779135345 0.25000000000000 24.305 > 4 5 Mg 0.36717290981196 0.02999779135345 0.58333333333333 24.305 > 4 6 Mg 0.36717290981196 0.02999779135345 0.91666666666667 24.305 > 4 7 Mg 0.66282488154149 0.63282709018804 0.25000000000000 24.305 > 7 8 Mg 0.66282488154149 0.63282709018804 0.58333333333333 24.305 > 7 9 Mg 0.66282488154149 0.63282709018804 0.91666666666667 24.305 > 7 10 Mg 0.02999779135345 0.66282488154149 0.08333333333333 24.305 > 10 11 Mg 0.02999779135345 0.66282488154149 0.41666666666667 24.305 > 10 12 Mg 0.02999779135345 0.66282488154149 0.75000000000000 24.305 > 10 13 Mg 0.63282709018804 0.97000220864655 0.08333333333333 24.305 > 13 14 Mg 0.63282709018804 0.97000220864655 0.41666666666667 24.305 > 13 15 Mg 0.63282709018804 0.97000220864655 0.75000000000000 24.305 > 13 16 Mg 0.97000220864655 0.33717511845851 0.25000000000000 24.305 > 16 17 Mg 0.97000220864655 0.33717511845851 0.58333333333333 24.305 > 16 18 Mg 0.97000220864655 0.33717511845851 0.91666666666667 24.305 > 16 19 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 19 20 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 19 21 B 0.66666666666667 0.33333333333333 0.75000000000000 10.811 > 19 22 B 0.33333333333333 0.66666666666667 0.25000000000000 10.811 > 22 23 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 22 24 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 22 25 O 0.60398317897809 0.44977584587871 0.08333333333333 15.999 > 25 26 O 0.60398317897809 0.44977584587871 0.41666666666667 15.999 > 25 27 O 0.60398317897809 0.44977584587871 0.75000000000000 15.999 > 25 28 O 0.44977584587871 0.84579266690062 0.25000000000000 15.999 > 28 29 O 0.44977584587871 0.84579266690062 0.58333333333333 15.999 > 28 30 O 0.44977584587871 0.84579266690062 0.91666666666667 15.999 > 28 31 O 0.84579266690062 0.39601682102191 0.08333333333333 15.999 > 31 32 O 0.84579266690062 0.39601682102191 0.41666666666667 15.999 > 31 33 O 0.84579266690062 0.39601682102191 0.75000000000000 15.999 > 31 34 O 0.15420733309938 0.60398317897809 0.25000000000000 15.999 > 34 35 O 0.15420733309938 0.60398317897809 0.58333333333333 15.999 > 34 36 O 0.15420733309938 0.60398317897809 0.91666666666667 15.999 > 34 37 O 0.39601682102191 0.55022415412129 0.25000000000000 15.999 > 37 38 O 0.39601682102191 0.55022415412129 0.58333333333333 15.999 > 37 39 O 0.39601682102191 0.55022415412129 0.91666666666667 15.999 > 37 40 O 0.55022415412129 0.15420733309938 0.08333333333333 15.999 > 40 41 O 0.55022415412129 0.15420733309938 0.41666666666667 15.999 > 40 42 O 0.55022415412129 0.15420733309938 0.75000000000000 15.999 > 40 43 F 0.91029901725338 0.70003801527460 0.25000000000000 18.998 > 43 44 F 0.91029901725338 0.70003801527460 0.58333333333333 18.998 > 43 45 F 0.91029901725338 0.70003801527460 0.91666666666667 18.998 > 43 46 F 0.29996198472540 0.21026100197878 0.25000000000000 18.998 > 46 47 F 0.29996198472540 0.21026100197878 0.58333333333333 18.998 > 46 48 F 0.29996198472540 0.21026100197878 0.91666666666667 18.998 > 46 49 F 0.08970098274662 0.29996198472540 0.08333333333333 18.998 > 49 50 F 0.08970098274662 0.29996198472540 0.41666666666667 18.998 > 49 51 F 0.08970098274662 0.29996198472540 0.75000000000000 18.998 > 49 52 F 0.21026100197878 0.91029901725338 0.08333333333333 18.998 > 52 53 F 0.21026100197878 0.91029901725338 0.41666666666667 18.998 > 52 54 F 0.21026100197878 0.91029901725338 0.75000000000000 18.998 > 52 55 F 0.70003801527460 0.78973899802122 0.08333333333333 18.998 > 55 56 F 0.70003801527460 0.78973899802122 0.41666666666667 18.998 > 55 57 F 0.70003801527460 0.78973899802122 0.75000000000000 18.998 > 55 58 F 0.78973899802122 0.08970098274662 0.25000000000000 18.998 > 58 59 F 0.78973899802122 0.08970098274662 0.58333333333333 18.998 > 58 60 F 0.78973899802122 0.08970098274662 0.91666666666667 18.998 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4074271 0.0000008 0.0000000 -0.0000008 2.4074271 0.0000000 0.0000000 0.0000000 2.3334947 -------------------------- Born effective charges -------------------------- 1 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 2 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 3 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 4 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 5 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 6 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 7 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 8 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 9 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 10 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 11 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 12 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 13 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 14 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 15 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 16 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 17 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 18 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 19 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 20 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 11:11:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:11:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 3.100420550000000 Atomic positions (fractional): 1 Mg 0.33717511845851 0.36717290981196 0.25000000000000 24.305 2 Mg 0.36717290981196 0.02999779135345 0.75000000000000 24.305 3 Mg 0.66282488154149 0.63282709018804 0.75000000000000 24.305 4 Mg 0.02999779135345 0.66282488154149 0.25000000000000 24.305 5 Mg 0.63282709018804 0.97000220864655 0.25000000000000 24.305 6 Mg 0.97000220864655 0.33717511845851 0.75000000000000 24.305 7 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 8 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 9 O 0.60398317897809 0.44977584587871 0.25000000000000 15.999 10 O 0.44977584587871 0.84579266690062 0.75000000000000 15.999 11 O 0.84579266690062 0.39601682102191 0.25000000000000 15.999 12 O 0.15420733309938 0.60398317897809 0.75000000000000 15.999 13 O 0.39601682102191 0.55022415412129 0.75000000000000 15.999 14 O 0.55022415412129 0.15420733309938 0.25000000000000 15.999 15 F 0.91029901725338 0.70003801527460 0.75000000000000 18.998 16 F 0.29996198472540 0.21026100197878 0.75000000000000 18.998 17 F 0.08970098274662 0.29996198472540 0.25000000000000 18.998 18 F 0.21026100197878 0.91029901725338 0.25000000000000 18.998 19 F 0.70003801527460 0.78973899802122 0.25000000000000 18.998 20 F 0.78973899802122 0.08970098274662 0.75000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.829644916918587 0.000000000000000 0.000000000000000 b -4.414822458459294 7.646696804447635 0.000000000000000 c 0.000000000000000 0.000000000000000 9.301261650000001 Atomic positions (fractional): 1 Mg 0.33717511845851 0.36717290981196 0.08333333333333 24.305 > 1 2 Mg 0.33717511845851 0.36717290981196 0.41666666666667 24.305 > 1 3 Mg 0.33717511845851 0.36717290981196 0.75000000000000 24.305 > 1 4 Mg 0.36717290981196 0.02999779135345 0.25000000000000 24.305 > 4 5 Mg 0.36717290981196 0.02999779135345 0.58333333333333 24.305 > 4 6 Mg 0.36717290981196 0.02999779135345 0.91666666666667 24.305 > 4 7 Mg 0.66282488154149 0.63282709018804 0.25000000000000 24.305 > 7 8 Mg 0.66282488154149 0.63282709018804 0.58333333333333 24.305 > 7 9 Mg 0.66282488154149 0.63282709018804 0.91666666666667 24.305 > 7 10 Mg 0.02999779135345 0.66282488154149 0.08333333333333 24.305 > 10 11 Mg 0.02999779135345 0.66282488154149 0.41666666666667 24.305 > 10 12 Mg 0.02999779135345 0.66282488154149 0.75000000000000 24.305 > 10 13 Mg 0.63282709018804 0.97000220864655 0.08333333333333 24.305 > 13 14 Mg 0.63282709018804 0.97000220864655 0.41666666666667 24.305 > 13 15 Mg 0.63282709018804 0.97000220864655 0.75000000000000 24.305 > 13 16 Mg 0.97000220864655 0.33717511845851 0.25000000000000 24.305 > 16 17 Mg 0.97000220864655 0.33717511845851 0.58333333333333 24.305 > 16 18 Mg 0.97000220864655 0.33717511845851 0.91666666666667 24.305 > 16 19 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 19 20 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 19 21 B 0.66666666666667 0.33333333333333 0.75000000000000 10.811 > 19 22 B 0.33333333333333 0.66666666666667 0.25000000000000 10.811 > 22 23 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 22 24 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 22 25 O 0.60398317897809 0.44977584587871 0.08333333333333 15.999 > 25 26 O 0.60398317897809 0.44977584587871 0.41666666666667 15.999 > 25 27 O 0.60398317897809 0.44977584587871 0.75000000000000 15.999 > 25 28 O 0.44977584587871 0.84579266690062 0.25000000000000 15.999 > 28 29 O 0.44977584587871 0.84579266690062 0.58333333333333 15.999 > 28 30 O 0.44977584587871 0.84579266690062 0.91666666666667 15.999 > 28 31 O 0.84579266690062 0.39601682102191 0.08333333333333 15.999 > 31 32 O 0.84579266690062 0.39601682102191 0.41666666666667 15.999 > 31 33 O 0.84579266690062 0.39601682102191 0.75000000000000 15.999 > 31 34 O 0.15420733309938 0.60398317897809 0.25000000000000 15.999 > 34 35 O 0.15420733309938 0.60398317897809 0.58333333333333 15.999 > 34 36 O 0.15420733309938 0.60398317897809 0.91666666666667 15.999 > 34 37 O 0.39601682102191 0.55022415412129 0.25000000000000 15.999 > 37 38 O 0.39601682102191 0.55022415412129 0.58333333333333 15.999 > 37 39 O 0.39601682102191 0.55022415412129 0.91666666666667 15.999 > 37 40 O 0.55022415412129 0.15420733309938 0.08333333333333 15.999 > 40 41 O 0.55022415412129 0.15420733309938 0.41666666666667 15.999 > 40 42 O 0.55022415412129 0.15420733309938 0.75000000000000 15.999 > 40 43 F 0.91029901725338 0.70003801527460 0.25000000000000 18.998 > 43 44 F 0.91029901725338 0.70003801527460 0.58333333333333 18.998 > 43 45 F 0.91029901725338 0.70003801527460 0.91666666666667 18.998 > 43 46 F 0.29996198472540 0.21026100197878 0.25000000000000 18.998 > 46 47 F 0.29996198472540 0.21026100197878 0.58333333333333 18.998 > 46 48 F 0.29996198472540 0.21026100197878 0.91666666666667 18.998 > 46 49 F 0.08970098274662 0.29996198472540 0.08333333333333 18.998 > 49 50 F 0.08970098274662 0.29996198472540 0.41666666666667 18.998 > 49 51 F 0.08970098274662 0.29996198472540 0.75000000000000 18.998 > 49 52 F 0.21026100197878 0.91029901725338 0.08333333333333 18.998 > 52 53 F 0.21026100197878 0.91029901725338 0.41666666666667 18.998 > 52 54 F 0.21026100197878 0.91029901725338 0.75000000000000 18.998 > 52 55 F 0.70003801527460 0.78973899802122 0.08333333333333 18.998 > 55 56 F 0.70003801527460 0.78973899802122 0.41666666666667 18.998 > 55 57 F 0.70003801527460 0.78973899802122 0.75000000000000 18.998 > 55 58 F 0.78973899802122 0.08970098274662 0.25000000000000 18.998 > 58 59 F 0.78973899802122 0.08970098274662 0.58333333333333 18.998 > 58 60 F 0.78973899802122 0.08970098274662 0.91666666666667 18.998 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4074271 0.0000008 0.0000000 -0.0000008 2.4074271 0.0000000 0.0000000 0.0000000 2.3334947 -------------------------- Born effective charges -------------------------- 1 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 2 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 3 Mg 2.1742768 -0.2548257 0.0000000 -0.2221346 1.8393494 0.0000000 0.0000000 0.0000000 2.0703654 4 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 5 Mg 1.7165514 -0.0421333 0.0000000 -0.0094422 2.2970748 0.0000000 0.0000000 0.0000000 2.0703654 6 Mg 2.1296111 0.2479223 0.0000000 0.2806134 1.8840151 0.0000000 0.0000000 0.0000000 2.0703654 7 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 8 B 2.5226284 -0.0524853 0.0000000 0.0524853 2.5226284 0.0000000 0.0000000 0.0000000 0.7337569 9 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 10 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 11 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 12 O -2.2178124 -0.4024725 0.0000000 -0.4540405 -1.3744556 0.0000000 0.0000000 0.0000000 -1.2541608 13 O -1.9561758 0.6050964 0.0000000 0.5535285 -1.6360922 0.0000000 0.0000000 0.0000000 -1.2541608 14 O -1.2144138 -0.1252720 0.0000000 -0.1768399 -2.3778542 0.0000000 0.0000000 0.0000000 -1.2541608 15 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 16 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 17 F -1.2872696 -0.0779296 0.0000000 -0.0940429 -0.8158409 0.0000000 0.0000000 0.0000000 -1.0607902 18 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 19 F -1.0081644 0.2551844 0.0000000 0.2390711 -1.0949461 0.0000000 0.0000000 0.0000000 -1.0607902 20 F -0.8592318 -0.1530848 0.0000000 -0.1691981 -1.2438787 0.0000000 0.0000000 0.0000000 -1.0607902 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 7 7 16 ] 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: 0.70, Number of G-points: 317, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.597 ( 0.000 0.000 0.000) 0.000 10.597 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 14.985 ( 0.000 0.000 0.000) 0.000 15.002 ( 0.000 0.000 0.000) 0.000 15.002 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 19.280 ( 0.000 0.000 0.000) 0.000 19.280 ( 0.000 0.000 0.000) 0.000 21.004 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 0.000 0.000) 0.000 27.872 ( 0.000 0.000 0.000) 0.000 28.004 ( 0.000 0.000 0.000) 0.000 36.955 ( 0.000 0.000 0.000) 0.000 36.955 ( 0.000 0.000 0.000) 0.000 39.952 ( 0.000 0.000 0.000) 0.000 39.952 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 33.424 19.297 0.000) 38.594 0.874 ( 37.249 22.009 0.000) 43.265 1.588 ( 72.127 41.249 0.000) 83.089 3.681 ( -10.296 -5.860 0.000) 11.847 3.759 ( -14.266 -8.246 0.000) 16.477 3.839 ( -6.795 -3.912 0.000) 7.841 5.035 ( 7.532 4.422 0.000) 8.734 5.126 ( 4.825 2.756 0.000) 5.557 5.157 ( 15.156 8.614 0.000) 17.433 5.179 ( 9.702 5.631 0.000) 11.218 5.443 ( 2.328 1.400 0.000) 2.716 6.224 ( -2.954 -1.706 0.000) 3.411 6.301 ( 0.845 0.456 0.000) 0.961 6.549 ( -4.816 -3.197 0.000) 5.780 6.690 ( -6.162 -3.240 0.000) 6.962 7.037 ( 1.547 2.536 0.000) 2.970 7.433 ( -3.407 -8.390 0.000) 9.055 7.575 ( 1.950 1.124 0.000) 2.251 7.602 ( 5.995 8.671 0.000) 10.542 7.729 ( 0.760 0.441 0.000) 0.879 8.319 ( -3.168 -1.860 0.000) 3.673 8.332 ( -2.464 -1.393 0.000) 2.831 8.499 ( 0.919 0.533 0.000) 1.062 8.516 ( 1.957 1.127 0.000) 2.258 9.951 ( -23.411 -11.373 0.000) 26.027 10.066 ( -31.939 -19.722 0.000) 37.537 10.368 ( -4.884 -1.744 0.000) 5.186 10.698 ( 6.238 -5.364 0.000) 8.227 10.908 ( 12.484 8.555 0.000) 15.134 11.234 ( -3.131 -3.894 0.000) 4.997 11.465 ( 1.165 0.673 0.000) 1.346 11.488 ( -19.317 15.762 0.000) 24.932 11.632 ( 6.451 -17.089 0.000) 18.266 11.780 ( -3.286 -1.887 0.000) 3.790 11.790 ( -2.302 -1.341 0.000) 2.664 11.903 ( 2.107 1.230 0.000) 2.440 11.912 ( 2.916 1.671 0.000) 3.361 12.126 ( -0.558 -0.322 0.000) 0.645 12.214 ( 17.863 17.029 0.000) 24.679 12.805 ( 8.840 -4.748 0.000) 10.035 13.400 ( -9.253 -2.647 0.000) 9.624 13.487 ( 2.234 4.413 0.000) 4.946 13.932 ( 6.167 2.259 0.000) 6.568 14.665 ( -11.334 -6.567 0.000) 13.099 14.876 ( -3.210 -1.424 0.000) 3.512 15.022 ( 1.841 0.743 0.000) 1.985 15.451 ( 22.042 12.761 0.000) 25.469 17.139 ( -8.951 -5.502 0.000) 10.507 18.581 ( -0.762 0.795 0.000) 1.101 18.683 ( 8.696 4.073 0.000) 9.602 19.226 ( -5.653 -3.380 0.000) 6.586 19.377 ( 3.368 1.963 0.000) 3.898 21.005 ( 0.064 0.037 0.000) 0.074 21.019 ( -0.064 -0.037 0.000) 0.074 27.875 ( 0.228 0.122 0.000) 0.259 27.992 ( -1.068 -0.615 0.000) 1.232 36.976 ( 1.893 1.113 0.000) 2.196 39.393 ( -13.738 -8.127 0.000) 15.962 39.970 ( 1.291 1.361 0.000) 1.876 40.108 ( 9.886 5.272 0.000) 11.203 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 31.706 18.307 0.000) 36.612 1.546 ( 22.700 14.478 0.000) 26.924 3.052 ( 63.908 32.100 0.000) 71.517 3.358 ( -21.884 -12.657 0.000) 25.281 3.514 ( -5.100 1.001 0.000) 5.197 3.683 ( -6.753 -3.871 0.000) 7.784 5.230 ( 4.256 2.369 0.000) 4.871 5.262 ( 11.667 9.359 0.000) 14.957 5.407 ( 6.476 -0.082 0.000) 6.477 5.432 ( 12.685 7.419 0.000) 14.695 5.539 ( 6.402 4.830 0.000) 8.019 6.127 ( -6.029 -3.497 0.000) 6.970 6.351 ( -14.372 -7.255 0.000) 16.099 6.368 ( 6.406 2.449 0.000) 6.858 6.565 ( -4.281 -1.998 0.000) 4.724 7.063 ( -4.288 -0.227 0.000) 4.294 7.341 ( 7.167 -6.117 0.000) 9.422 7.633 ( 3.182 1.800 0.000) 3.656 7.746 ( 0.648 0.430 0.000) 0.778 7.825 ( 6.663 14.359 0.000) 15.830 8.248 ( -3.025 -1.978 0.000) 3.614 8.272 ( -2.934 -1.479 0.000) 3.286 8.518 ( 0.702 0.418 0.000) 0.817 8.553 ( 1.396 0.793 0.000) 1.605 9.236 ( -48.259 -3.042 0.000) 48.355 9.350 ( -20.712 -42.944 0.000) 47.677 10.309 ( -2.521 0.405 0.000) 2.553 10.688 ( 1.812 -6.118 0.000) 6.381 11.076 ( 9.777 -10.847 0.000) 14.603 11.144 ( -23.845 12.801 0.000) 27.063 11.502 ( 2.178 1.257 0.000) 2.515 11.503 ( 16.929 12.508 0.000) 21.049 11.706 ( -3.519 -2.019 0.000) 4.057 11.722 ( 8.215 0.451 0.000) 8.228 11.748 ( -1.542 -0.907 0.000) 1.789 11.940 ( 1.323 0.782 0.000) 1.537 11.973 ( 2.744 1.569 0.000) 3.161 12.108 ( -1.133 -0.653 0.000) 1.308 12.495 ( -6.475 17.624 0.000) 18.776 12.791 ( 10.942 -24.681 0.000) 26.998 13.276 ( -5.641 4.292 0.000) 7.088 13.547 ( -2.040 2.211 0.000) 3.008 14.095 ( 9.575 3.286 0.000) 10.123 14.482 ( -6.355 -3.707 0.000) 7.358 14.848 ( 0.640 2.788 0.000) 2.860 15.065 ( 2.434 0.511 0.000) 2.487 15.899 ( 18.673 11.280 0.000) 21.816 16.888 ( -12.688 -8.956 0.000) 15.531 18.586 ( 0.199 1.980 0.000) 1.990 18.889 ( 9.623 5.079 0.000) 10.882 19.055 ( -8.986 -5.851 0.000) 10.723 19.471 ( 4.752 2.651 0.000) 5.442 21.007 ( 0.107 0.062 0.000) 0.124 21.018 ( -0.108 -0.062 0.000) 0.124 27.882 ( 0.487 0.225 0.000) 0.537 27.962 ( -1.609 -0.909 0.000) 1.848 37.026 ( 2.356 1.449 0.000) 2.766 39.102 ( -11.804 -7.218 0.000) 13.836 40.011 ( 1.668 1.741 0.000) 2.411 40.289 ( 6.860 3.509 0.000) 7.706 ======================= Grid point 3 (4/81) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 5.956 4.259 0.000) 7.322 2.065 ( 24.482 14.139 0.000) 28.271 2.863 ( -21.407 -12.374 0.000) 24.726 3.508 ( 3.141 -1.225 0.000) 3.371 3.577 ( -2.653 -1.516 0.000) 3.056 4.128 ( 30.047 19.687 0.000) 35.923 5.293 ( 1.535 0.835 0.000) 1.748 5.427 ( -1.740 7.113 0.000) 7.323 5.571 ( 10.348 -1.837 0.000) 10.510 5.641 ( 8.911 3.038 0.000) 9.414 5.694 ( 10.523 6.174 0.000) 12.201 5.969 ( -7.925 -4.630 0.000) 9.178 5.990 ( -20.398 -6.873 0.000) 21.525 6.450 ( 2.698 -8.933 0.000) 9.331 6.580 ( 2.316 13.118 0.000) 13.321 6.891 ( -4.851 -12.447 0.000) 13.359 7.585 ( 13.347 9.565 0.000) 16.420 7.699 ( 2.614 1.374 0.000) 2.953 7.748 ( -0.682 -0.230 0.000) 0.720 8.034 ( 1.779 13.903 0.000) 14.016 8.196 ( -1.261 -0.997 0.000) 1.608 8.224 ( -1.385 -0.560 0.000) 1.494 8.528 ( 0.240 0.147 0.000) 0.282 8.573 ( 0.471 0.263 0.000) 0.539 8.580 ( -23.922 -1.343 0.000) 23.959 8.650 ( -15.914 -32.790 0.000) 36.448 10.285 ( -1.366 1.108 0.000) 1.758 10.705 ( 9.068 -7.186 0.000) 11.570 10.865 ( -17.548 5.104 0.000) 18.275 11.115 ( 2.640 -2.895 0.000) 3.918 11.557 ( 2.769 1.595 0.000) 3.195 11.631 ( -3.225 -1.853 0.000) 3.719 11.725 ( -0.541 -0.320 0.000) 0.628 11.831 ( 3.796 0.508 0.000) 3.830 11.960 ( 0.448 0.267 0.000) 0.522 11.966 ( 20.196 14.443 0.000) 24.829 12.027 ( 2.094 1.199 0.000) 2.413 12.078 ( -1.523 -0.875 0.000) 1.756 12.353 ( -16.630 -1.989 0.000) 16.749 12.761 ( 2.901 -7.676 0.000) 8.206 13.303 ( 3.650 3.795 0.000) 5.265 13.450 ( -6.810 -3.761 0.000) 7.780 14.257 ( 5.506 3.338 0.000) 6.439 14.370 ( -3.638 -3.181 0.000) 4.832 14.924 ( 2.309 3.541 0.000) 4.227 15.100 ( 1.305 -0.001 0.000) 1.305 16.265 ( 14.618 10.294 0.000) 17.879 16.584 ( -13.327 -10.297 0.000) 16.842 18.630 ( 2.123 2.450 0.000) 3.242 18.869 ( -6.437 -3.922 0.000) 7.537 19.042 ( 4.158 1.872 0.000) 4.560 19.552 ( 2.256 1.208 0.000) 2.560 21.009 ( 0.082 0.047 0.000) 0.095 21.015 ( -0.082 -0.047 0.000) 0.095 27.894 ( 0.667 0.302 0.000) 0.732 27.929 ( -1.196 -0.633 0.000) 1.353 37.066 ( 1.051 0.675 0.000) 1.249 38.915 ( -4.623 -2.889 0.000) 5.451 40.045 ( 0.763 0.791 0.000) 1.099 40.387 ( 2.366 1.177 0.000) 2.643 ======================= Grid point 8 (5/81) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 18.701 32.389 0.000) 37.400 1.577 ( 25.463 41.386 0.000) 48.592 2.514 ( 25.245 47.815 0.000) 54.070 3.515 ( -10.198 -17.611 0.000) 20.351 3.610 ( 4.003 4.807 0.000) 6.256 3.683 ( -6.165 -10.741 0.000) 12.384 5.140 ( 4.136 5.950 0.000) 7.246 5.238 ( 4.226 7.546 0.000) 8.649 5.331 ( 6.096 10.328 0.000) 11.992 5.410 ( 6.248 14.649 0.000) 15.926 5.489 ( 3.347 3.284 0.000) 4.690 6.159 ( -3.030 -5.232 0.000) 6.046 6.308 ( -0.346 0.203 0.000) 0.401 6.448 ( -5.489 -10.187 0.000) 11.572 6.597 ( -1.141 -1.820 0.000) 2.148 7.122 ( 9.873 3.335 0.000) 10.421 7.334 ( -15.956 1.478 0.000) 16.024 7.615 ( 1.685 2.953 0.000) 3.400 7.724 ( 12.704 3.383 0.000) 13.147 7.742 ( 0.521 0.849 0.000) 0.996 8.254 ( -2.375 -3.994 0.000) 4.647 8.309 ( -0.831 -1.542 0.000) 1.752 8.489 ( -0.576 -1.004 0.000) 1.158 8.562 ( 1.560 2.711 0.000) 3.128 9.271 ( -22.912 -45.209 0.000) 50.684 9.936 ( -32.725 -9.982 0.000) 34.214 10.042 ( 8.658 -20.891 0.000) 22.614 10.778 ( -5.260 8.967 0.000) 10.396 10.914 ( -4.385 -10.847 0.000) 11.700 11.336 ( 20.557 11.116 0.000) 23.370 11.465 ( 5.428 1.568 0.000) 5.650 11.490 ( 1.113 1.928 0.000) 2.226 11.689 ( -7.444 3.543 0.000) 8.244 11.737 ( -1.621 -2.904 0.000) 3.326 11.745 ( -1.517 -2.525 0.000) 2.946 11.944 ( 1.411 2.095 0.000) 2.526 11.947 ( 1.210 2.438 0.000) 2.722 12.114 ( -0.565 -0.979 0.000) 1.130 12.325 ( 11.539 1.524 0.000) 11.639 12.935 ( -16.313 13.843 0.000) 21.395 13.271 ( 5.573 -11.430 0.000) 12.717 13.519 ( 3.604 -0.132 0.000) 3.607 14.066 ( 3.858 10.614 0.000) 11.294 14.526 ( -3.772 -6.578 0.000) 7.583 14.827 ( -0.154 -3.319 0.000) 3.322 15.057 ( 0.995 2.911 0.000) 3.076 15.780 ( 11.415 19.310 0.000) 22.432 16.956 ( -8.485 -12.583 0.000) 15.177 18.626 ( 2.085 -0.735 0.000) 2.211 18.782 ( 3.935 9.482 0.000) 10.266 19.130 ( -3.821 -5.958 0.000) 7.078 19.438 ( 2.322 4.115 0.000) 4.725 21.006 ( 0.058 0.101 0.000) 0.116 21.018 ( -0.058 -0.101 0.000) 0.117 27.879 ( 0.178 0.379 0.000) 0.419 27.971 ( -0.882 -1.547 0.000) 1.781 37.020 ( 1.888 3.146 0.000) 3.669 39.230 ( -5.929 -9.458 0.000) 11.163 39.845 ( -3.082 -6.409 0.000) 7.111 40.340 ( 6.624 11.839 0.000) 13.566 ======================= Grid point 9 (6/81) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 22.073 26.007 0.000) 34.111 2.173 ( -6.686 45.260 0.000) 45.752 3.082 ( 29.839 -10.692 0.000) 31.697 3.108 ( -20.786 -13.786 0.000) 24.942 3.512 ( -0.246 -13.049 0.000) 13.051 4.087 ( 19.145 40.568 0.000) 44.858 5.232 ( 8.276 -11.704 0.000) 14.335 5.347 ( -0.763 9.136 0.000) 9.168 5.541 ( 2.499 9.464 0.000) 9.788 5.561 ( 11.688 6.165 0.000) 13.214 5.609 ( 2.039 2.678 0.000) 3.366 6.028 ( -5.956 -7.037 0.000) 9.219 6.165 ( -10.885 -13.510 0.000) 17.349 6.342 ( 3.700 -0.304 0.000) 3.713 6.655 ( 0.367 8.742 0.000) 8.750 7.045 ( -18.084 2.741 0.000) 18.291 7.419 ( 17.681 8.201 0.000) 19.491 7.676 ( 2.286 2.617 0.000) 3.475 7.754 ( 0.040 0.226 0.000) 0.229 7.981 ( 13.546 0.410 0.000) 13.552 8.188 ( -1.355 -2.970 0.000) 3.265 8.278 ( -2.520 1.209 0.000) 2.794 8.471 ( 1.342 -3.805 0.000) 4.034 8.535 ( -15.897 -34.035 0.000) 37.564 8.602 ( 0.196 2.760 0.000) 2.767 9.181 ( -44.900 -4.328 0.000) 45.108 9.994 ( 11.582 -30.444 0.000) 32.573 10.637 ( -4.145 -3.199 0.000) 5.236 10.992 ( 5.010 5.024 0.000) 7.095 11.375 ( -18.572 12.184 0.000) 22.212 11.536 ( 2.015 2.317 0.000) 3.071 11.668 ( 12.876 -0.138 0.000) 12.877 11.671 ( -3.413 -1.622 0.000) 3.779 11.712 ( 0.196 -2.671 0.000) 2.678 11.850 ( 13.683 13.404 0.000) 19.155 11.970 ( -0.182 2.154 0.000) 2.162 11.999 ( 2.524 1.150 0.000) 2.774 12.089 ( -1.112 -1.292 0.000) 1.705 12.412 ( 2.258 -14.814 0.000) 14.985 12.820 ( -9.341 15.696 0.000) 18.265 13.264 ( 2.552 -4.243 0.000) 4.951 13.493 ( -3.625 -5.960 0.000) 6.976 14.231 ( 4.637 9.353 0.000) 10.439 14.424 ( -4.797 -1.721 0.000) 5.096 14.843 ( 5.276 -4.000 0.000) 6.620 15.106 ( 1.027 3.622 0.000) 3.765 16.130 ( 13.288 11.897 0.000) 17.835 16.674 ( -11.093 -11.888 0.000) 16.260 18.595 ( -0.587 -5.577 0.000) 5.607 18.944 ( 0.579 6.505 0.000) 6.531 19.050 ( -0.536 3.408 0.000) 3.450 19.507 ( 2.966 0.691 0.000) 3.045 21.008 ( 0.084 0.111 0.000) 0.139 21.016 ( -0.084 -0.111 0.000) 0.139 27.888 ( 0.445 0.412 0.000) 0.607 27.940 ( -1.100 -1.349 0.000) 1.741 37.079 ( 0.933 3.669 0.000) 3.786 39.051 ( -10.114 1.755 0.000) 10.265 39.783 ( 8.579 -17.800 0.000) 19.760 40.505 ( 0.038 11.789 0.000) 11.789 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -21.580 35.077 0.000) 41.184 2.304 ( -4.656 8.041 0.000) 9.292 2.734 ( -0.594 1.074 0.000) 1.227 3.338 ( 10.638 -13.588 0.000) 17.256 3.447 ( 6.342 -11.016 0.000) 12.711 4.514 ( -10.867 16.946 0.000) 20.131 5.178 ( 8.469 -22.750 0.000) 24.275 5.384 ( -4.485 7.897 0.000) 9.082 5.632 ( 0.080 3.005 0.000) 3.006 5.738 ( 14.132 4.740 0.000) 14.906 5.751 ( 0.724 -1.662 0.000) 1.813 5.847 ( -13.181 -8.349 0.000) 15.603 5.883 ( 1.803 -2.832 0.000) 3.357 6.509 ( 2.816 8.674 0.000) 9.120 6.585 ( -5.052 0.200 0.000) 5.056 6.994 ( 0.341 13.417 0.000) 13.421 7.644 ( 1.387 -6.013 0.000) 6.171 7.720 ( -0.018 0.608 0.000) 0.609 7.745 ( -0.391 0.036 0.000) 0.392 7.867 ( -1.681 -22.120 0.000) 22.183 8.163 ( 0.896 -1.360 0.000) 1.629 8.260 ( -1.947 3.237 0.000) 3.777 8.464 ( 2.722 -4.715 0.000) 5.444 8.511 ( -15.520 6.084 0.000) 16.670 8.617 ( -1.295 2.248 0.000) 2.595 8.647 ( 14.071 17.606 0.000) 22.538 9.894 ( 16.046 -34.275 0.000) 37.845 10.636 ( 6.489 -3.658 0.000) 7.449 11.033 ( -11.652 11.894 0.000) 16.651 11.280 ( -5.802 14.578 0.000) 15.690 11.587 ( -0.425 0.766 0.000) 0.876 11.612 ( -0.340 0.544 0.000) 0.642 11.701 ( 1.206 -2.071 0.000) 2.397 11.794 ( 4.236 -3.074 0.000) 5.234 11.979 ( -0.942 1.611 0.000) 1.867 12.038 ( 0.231 -0.361 0.000) 0.429 12.062 ( 0.263 -0.480 0.000) 0.547 12.149 ( -11.109 -10.077 0.000) 14.999 12.161 ( 6.611 2.428 0.000) 7.043 12.884 ( -0.852 13.686 0.000) 13.713 13.286 ( 1.640 -6.983 0.000) 7.173 13.387 ( 0.792 -0.589 0.000) 0.987 14.330 ( -4.740 1.887 0.000) 5.102 14.375 ( 1.886 5.381 0.000) 5.702 14.854 ( 2.472 -8.475 0.000) 8.828 15.139 ( -1.021 2.413 0.000) 2.620 16.380 ( -6.318 -6.767 0.000) 9.258 16.446 ( 8.165 4.920 0.000) 9.533 18.549 ( 4.009 -8.299 0.000) 9.216 18.938 ( -5.965 9.800 0.000) 11.472 19.112 ( -1.457 3.549 0.000) 3.836 19.537 ( 1.675 -2.715 0.000) 3.190 21.010 ( -0.032 0.056 0.000) 0.065 21.014 ( 0.032 -0.056 0.000) 0.065 27.899 ( 0.098 0.084 0.000) 0.129 27.918 ( 0.130 -0.433 0.000) 0.452 37.105 ( -1.669 2.763 0.000) 3.228 38.975 ( -4.938 9.054 0.000) 10.312 39.769 ( 12.138 -21.526 0.000) 24.712 40.561 ( -5.493 9.625 0.000) 11.082 ======================= Grid point 12 (8/81) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -33.556 -6.109 0.000) 34.107 2.144 ( -35.376 27.913 0.000) 45.063 3.108 ( 22.335 11.103 0.000) 24.942 3.141 ( -4.957 -33.144 0.000) 33.513 3.511 ( 11.416 -6.303 0.000) 13.040 4.052 ( -46.256 6.353 0.000) 46.690 5.195 ( 7.166 -9.190 0.000) 11.653 5.349 ( -7.525 5.235 0.000) 9.167 5.559 ( -11.150 -7.015 0.000) 13.173 5.587 ( -8.448 -1.401 0.000) 8.563 5.610 ( -7.298 -0.977 0.000) 7.363 6.029 ( 9.036 1.602 0.000) 9.177 6.113 ( 20.749 6.069 0.000) 21.619 6.368 ( -3.144 -6.842 0.000) 7.530 6.673 ( -8.112 7.151 0.000) 10.814 7.116 ( -0.859 9.152 0.000) 9.192 7.459 ( -5.761 -9.537 0.000) 11.142 7.677 ( -3.497 -0.765 0.000) 3.580 7.752 ( -0.116 0.199 0.000) 0.230 7.774 ( -3.030 -1.120 0.000) 3.230 8.190 ( 3.263 -0.446 0.000) 3.294 8.277 ( 0.191 2.893 0.000) 2.900 8.471 ( 2.619 -3.058 0.000) 4.027 8.545 ( 30.848 -2.731 0.000) 30.969 8.602 ( -2.485 1.205 0.000) 2.762 9.356 ( 26.429 35.299 0.000) 44.097 9.900 ( 21.537 -30.894 0.000) 37.660 10.736 ( 11.062 -5.881 0.000) 12.528 10.922 ( -11.096 6.910 0.000) 13.072 11.376 ( -5.347 19.320 0.000) 20.046 11.536 ( -3.017 -0.588 0.000) 3.073 11.671 ( 3.110 2.138 0.000) 3.774 11.685 ( -12.770 -11.608 0.000) 17.258 11.712 ( 2.220 -1.499 0.000) 2.678 11.801 ( -10.225 -2.819 0.000) 10.606 11.970 ( -1.779 1.223 0.000) 2.159 12.000 ( -2.257 -1.600 0.000) 2.767 12.089 ( 1.678 0.319 0.000) 1.708 12.311 ( 5.305 -0.921 0.000) 5.384 13.045 ( 4.958 12.259 0.000) 13.224 13.157 ( -4.673 -9.528 0.000) 10.612 13.483 ( 5.103 0.520 0.000) 5.129 14.242 ( -8.183 0.458 0.000) 8.195 14.440 ( 1.868 2.768 0.000) 3.340 14.802 ( 0.926 -4.742 0.000) 4.831 15.114 ( -3.271 0.296 0.000) 3.284 16.114 ( -15.958 -4.360 0.000) 16.543 16.704 ( 15.097 1.718 0.000) 15.195 18.577 ( 4.197 -1.152 0.000) 4.352 18.938 ( -4.883 2.692 0.000) 5.576 19.065 ( -2.959 1.593 0.000) 3.361 19.509 ( -2.084 -2.318 0.000) 3.117 21.008 ( -0.138 -0.018 0.000) 0.139 21.016 ( 0.138 0.018 0.000) 0.139 27.889 ( -0.609 -0.249 0.000) 0.658 27.939 ( 1.756 0.321 0.000) 1.785 37.077 ( -3.657 1.094 0.000) 3.817 39.057 ( 3.597 9.507 0.000) 10.165 39.777 ( 10.977 -16.128 0.000) 19.509 40.506 ( -10.129 5.731 0.000) 11.638 ======================= Grid point 17 (9/81) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 14.176 24.543 0.000) 28.343 2.819 ( -10.324 -17.854 0.000) 20.624 2.924 ( 31.928 5.348 0.000) 32.372 2.954 ( -18.322 19.381 0.000) 26.671 3.291 ( -4.335 -7.530 0.000) 8.689 4.691 ( 11.024 19.399 0.000) 22.312 4.920 ( -6.128 -14.738 0.000) 15.961 5.503 ( 2.941 5.240 0.000) 6.008 5.653 ( 0.788 1.970 0.000) 2.122 5.680 ( 4.541 7.605 0.000) 8.858 5.680 ( -1.417 6.231 0.000) 6.390 5.854 ( -4.017 -15.948 0.000) 16.446 5.871 ( -5.435 -9.295 0.000) 10.767 6.506 ( 9.750 15.434 0.000) 18.256 6.763 ( -5.218 0.028 0.000) 5.218 7.042 ( -5.578 -10.155 0.000) 11.587 7.513 ( 3.894 8.254 0.000) 9.127 7.721 ( 1.019 1.994 0.000) 2.240 7.750 ( -0.274 -0.733 0.000) 0.782 7.754 ( -2.103 -14.865 0.000) 15.013 8.150 ( -0.620 -1.008 0.000) 1.183 8.312 ( 1.364 2.309 0.000) 2.682 8.397 ( -2.060 -3.556 0.000) 4.110 8.513 ( 16.302 24.301 0.000) 29.262 8.639 ( 0.593 1.028 0.000) 1.186 9.085 ( -24.974 -10.690 0.000) 27.166 9.318 ( -4.081 -31.318 0.000) 31.583 10.577 ( -2.679 -2.430 0.000) 3.617 11.187 ( 7.917 12.064 0.000) 14.429 11.436 ( -4.545 -6.908 0.000) 8.269 11.586 ( 1.669 2.899 0.000) 3.344 11.641 ( -1.198 -2.115 0.000) 2.431 11.664 ( -0.932 -1.582 0.000) 1.836 11.760 ( 2.786 9.292 0.000) 9.701 12.009 ( 0.743 1.219 0.000) 1.428 12.018 ( 0.673 1.242 0.000) 1.413 12.036 ( 9.237 7.131 0.000) 11.669 12.061 ( -0.946 -1.647 0.000) 1.900 12.207 ( -4.882 -8.125 0.000) 9.479 13.046 ( -1.796 6.874 0.000) 7.105 13.165 ( 1.608 -4.116 0.000) 4.419 13.388 ( -2.606 -4.306 0.000) 5.033 14.368 ( 4.676 4.423 0.000) 6.437 14.430 ( -2.737 0.954 0.000) 2.899 14.751 ( -0.429 -3.502 0.000) 3.528 15.161 ( 0.836 1.612 0.000) 1.816 16.315 ( 6.205 8.065 0.000) 10.176 16.486 ( -6.660 -8.252 0.000) 10.604 18.460 ( -2.750 -5.208 0.000) 5.889 19.101 ( 7.199 1.994 0.000) 7.471 19.108 ( -2.245 6.663 0.000) 7.031 19.493 ( -0.977 -1.611 0.000) 1.884 21.011 ( 0.073 0.126 0.000) 0.145 21.014 ( -0.073 -0.126 0.000) 0.145 27.898 ( 0.291 0.626 0.000) 0.691 27.916 ( -0.568 -1.086 0.000) 1.226 37.137 ( 1.149 1.933 0.000) 2.249 39.150 ( 4.108 7.615 0.000) 8.652 39.467 ( -7.730 -13.870 0.000) 15.878 40.655 ( 2.318 4.045 0.000) 4.662 ======================= Grid point 55 (10/81) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.000 0.000 37.445) 37.445 0.734 ( 0.000 0.000 37.445) 37.445 1.567 ( -0.000 0.000 77.028) 77.028 3.903 ( 0.000 0.000 7.408) 7.408 4.102 ( 0.000 -0.000 15.299) 15.299 4.102 ( -0.000 0.000 15.299) 15.299 5.092 ( 0.000 -0.000 14.956) 14.956 5.092 ( 0.000 -0.000 14.956) 14.956 5.215 ( -0.000 -0.000 13.924) 13.924 5.215 ( -0.000 0.000 13.924) 13.924 5.418 ( 0.000 0.000 0.201) 0.201 6.032 ( 0.000 0.000 -14.043) 14.043 6.615 ( 0.000 0.000 -11.764) 11.764 6.619 ( 0.000 0.000 25.363) 25.363 6.627 ( 0.000 -0.000 2.688) 2.688 6.627 ( 0.000 0.000 2.688) 2.688 7.454 ( -0.000 0.000 -4.715) 4.715 7.454 ( 0.000 0.000 -4.715) 4.715 7.783 ( -0.000 0.000 20.185) 20.185 8.186 ( 0.000 0.000 19.311) 19.311 8.510 ( 0.000 0.000 13.650) 13.650 8.510 ( 0.000 0.000 13.650) 13.650 8.616 ( 0.000 0.000 12.502) 12.502 8.616 ( -0.000 0.000 12.502) 12.502 10.185 ( 0.000 0.000 0.654) 0.654 10.438 ( -0.000 0.000 -4.440) 4.440 10.438 ( -0.000 0.000 -4.440) 4.440 10.556 ( 0.000 0.000 -3.646) 3.646 10.556 ( 0.000 0.000 -3.646) 3.646 11.303 ( 0.000 0.000 -3.154) 3.154 11.413 ( 0.000 0.000 -15.079) 15.079 11.413 ( 0.000 0.000 -15.079) 15.079 11.665 ( 0.000 0.000 -7.334) 7.334 11.665 ( 0.000 0.000 -7.334) 7.334 11.966 ( -0.000 0.000 9.327) 9.327 11.966 ( 0.000 0.000 9.327) 9.327 12.136 ( -0.000 0.000 17.381) 17.381 12.136 ( -0.000 0.000 17.381) 17.381 12.137 ( -0.000 0.000 0.404) 0.404 13.421 ( -0.000 0.000 -2.441) 2.441 13.441 ( -0.000 -0.000 -7.967) 7.967 13.892 ( -0.000 -0.000 2.050) 2.050 13.892 ( 0.000 -0.000 2.050) 2.050 14.773 ( 0.000 0.000 -13.860) 13.860 14.910 ( 0.000 -0.000 -6.962) 6.962 14.987 ( 0.000 0.000 -1.520) 1.520 14.987 ( 0.000 -0.000 -1.520) 1.520 15.886 ( 0.000 0.000 1.841) 1.841 18.570 ( 0.000 0.000 -1.435) 1.435 18.570 ( -0.000 0.000 -1.435) 1.435 19.230 ( 0.000 0.000 -4.874) 4.874 19.230 ( 0.000 0.000 -4.874) 4.874 21.094 ( 0.000 0.000 8.660) 8.660 22.542 ( 0.000 0.000 0.758) 0.758 27.834 ( 0.000 0.000 -3.611) 3.611 27.985 ( 0.000 0.000 -1.765) 1.765 36.923 ( 0.000 0.000 -3.090) 3.090 36.923 ( 0.000 0.000 -3.090) 3.090 39.832 ( 0.000 0.000 -11.665) 11.665 39.832 ( 0.000 0.000 -11.665) 11.665 ======================= Grid point 56 (11/81) ======================= q-point: ( 0.14 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 28.493 17.197 24.358) 41.242 1.391 ( 31.711 17.739 33.899) 49.693 2.013 ( 45.656 26.231 48.665) 71.700 3.734 ( -10.494 -5.926 6.348) 13.621 3.972 ( -11.595 -6.921 18.864) 23.199 4.086 ( -4.022 -2.119 21.206) 21.688 5.082 ( 2.308 0.670 7.297) 7.682 5.191 ( 8.750 6.702 7.073) 13.096 5.337 ( 8.931 2.811 17.634) 19.966 5.413 ( 13.202 8.910 18.171) 24.164 5.452 ( 3.104 1.833 1.550) 3.924 6.043 ( 1.383 0.814 -12.567) 12.669 6.480 ( -7.808 -4.617 -7.865) 12.006 6.590 ( -2.500 -1.747 24.522) 24.711 6.646 ( -0.546 -0.143 0.681) 0.885 6.849 ( 11.569 7.245 -7.195) 15.430 7.366 ( -7.035 -5.256 -4.656) 9.939 7.514 ( 5.007 3.552 -4.815) 7.802 7.815 ( 2.605 1.410 19.389) 19.614 8.091 ( -4.867 -2.377 23.220) 23.843 8.468 ( -2.887 -1.768 13.834) 14.242 8.478 ( -2.516 -1.330 13.623) 13.917 8.635 ( 1.324 0.647 12.960) 13.044 8.651 ( 2.195 1.371 12.870) 13.128 9.945 ( -24.739 -10.780 -0.581) 26.992 10.043 ( -31.112 -21.813 -1.941) 38.046 10.328 ( -4.639 -1.971 -2.453) 5.606 10.601 ( 3.612 -4.189 -8.631) 10.251 10.699 ( 9.890 10.533 -11.578) 18.514 11.154 ( -8.341 -3.064 -4.550) 9.983 11.303 ( -2.387 -4.515 -8.737) 10.120 11.434 ( 3.554 5.159 -8.863) 10.853 11.756 ( 3.194 -0.028 -4.370) 5.413 11.825 ( 3.714 2.632 0.501) 4.579 11.955 ( -0.618 -3.096 8.490) 9.058 11.989 ( 1.306 3.151 7.462) 8.205 12.121 ( -1.376 -2.016 16.324) 16.505 12.134 ( -1.934 2.282 4.743) 5.607 12.308 ( 13.894 8.555 8.961) 18.615 13.207 ( -19.467 -23.174 15.143) 33.842 13.386 ( -12.131 3.003 6.435) 14.057 13.454 ( 2.370 2.618 -2.999) 4.633 13.945 ( 5.465 2.000 1.341) 5.972 14.637 ( -10.552 -6.087 -2.763) 12.492 14.758 ( -1.518 -0.572 -11.333) 11.448 15.005 ( 1.650 0.802 -1.633) 2.456 15.392 ( 21.359 12.315 -5.589) 25.281 16.504 ( 21.900 12.504 -32.232) 40.925 18.566 ( -0.555 0.410 -1.445) 1.602 18.611 ( 5.227 2.348 -3.474) 6.701 19.173 ( -5.301 -3.037 -4.733) 7.728 19.287 ( 4.508 2.568 -6.178) 8.067 21.097 ( 0.307 0.177 8.880) 8.887 21.823 ( -33.966 -19.612 37.533) 54.287 27.836 ( 0.196 0.109 -3.640) 3.647 27.959 ( -1.571 -0.907 -2.531) 3.114 36.944 ( 1.878 1.102 -3.111) 3.797 38.192 ( 55.512 32.012 -65.013) 91.286 39.824 ( 1.267 1.375 -14.615) 14.734 39.847 ( 1.594 0.298 -11.938) 12.048 ======================= Grid point 57 (12/81) ======================= q-point: ( 0.29 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 20.610 14.438 17.199) 30.480 1.954 ( 25.392 13.174 40.342) 49.455 3.172 ( 49.595 24.610 15.108) 57.390 3.571 ( -4.734 -1.414 6.959) 8.535 3.658 ( -11.802 -4.968 25.689) 28.704 3.962 ( -6.284 -3.264 25.068) 26.049 5.196 ( 7.408 4.810 1.676) 8.990 5.392 ( 5.443 5.490 3.434) 8.459 5.490 ( 7.025 1.091 11.977) 13.928 5.562 ( 7.652 3.020 8.464) 11.803 5.703 ( 11.429 7.857 19.084) 23.592 6.117 ( 5.105 3.407 -5.029) 7.935 6.277 ( -11.177 -5.913 -5.945) 13.972 6.513 ( -2.246 -4.974 18.119) 18.923 6.605 ( -3.698 0.160 6.091) 7.128 7.027 ( -1.520 2.596 -2.720) 4.055 7.219 ( 3.256 -4.223 -8.692) 10.197 7.660 ( 7.248 5.043 -4.023) 9.703 7.859 ( 1.456 -0.402 16.921) 16.988 8.072 ( 0.222 5.937 20.170) 21.027 8.405 ( -2.599 -1.634 14.373) 14.698 8.418 ( -2.978 -1.447 13.771) 14.164 8.660 ( 1.172 0.116 13.407) 13.459 8.692 ( 1.238 1.215 13.195) 13.308 9.209 ( -46.812 -5.927 -2.191) 47.236 9.337 ( -21.617 -39.980 -0.800) 45.457 10.271 ( -3.576 2.469 -3.026) 5.295 10.595 ( 1.665 -3.757 -8.263) 9.228 10.850 ( -1.534 -0.828 -15.984) 16.079 11.055 ( -2.976 0.236 -4.311) 5.244 11.374 ( 10.921 7.469 -9.378) 16.217 11.552 ( 4.096 4.903 -6.264) 8.947 11.764 ( 0.466 -2.417 0.662) 2.550 11.844 ( -2.042 -1.237 12.404) 12.632 11.883 ( 0.038 -3.331 8.297) 8.941 12.030 ( -1.063 3.894 6.248) 7.439 12.121 ( 0.130 -0.220 3.022) 3.033 12.137 ( 1.562 3.911 16.667) 17.191 12.558 ( -1.835 13.946 5.598) 15.139 12.818 ( 0.970 -26.539 2.139) 26.643 13.287 ( -6.578 4.680 1.478) 8.208 13.496 ( -1.558 1.045 -4.459) 4.837 14.090 ( 8.670 2.729 -0.421) 9.099 14.463 ( -6.352 -3.624 -1.960) 7.571 14.771 ( 2.606 3.789 -7.035) 8.404 15.046 ( 2.207 0.654 -1.860) 2.959 15.827 ( 18.197 10.787 -6.887) 22.247 16.644 ( -3.688 -3.323 -19.831) 20.443 18.570 ( 0.271 1.663 -1.528) 2.274 18.772 ( 8.908 4.076 -8.516) 12.980 19.016 ( -8.621 -4.874 -3.672) 10.562 19.394 ( 4.987 2.719 -6.895) 8.933 21.107 ( 0.687 0.397 9.627) 9.660 21.374 ( -11.257 -6.508 27.055) 30.017 27.843 ( 0.439 0.214 -3.706) 3.738 27.924 ( -1.664 -0.947 -3.290) 3.806 36.994 ( 2.338 1.432 -3.157) 4.181 38.742 ( 5.173 2.695 -32.135) 32.660 39.882 ( 0.867 2.418 -12.560) 12.820 39.953 ( 9.188 3.607 -25.667) 27.500 ======================= Grid point 58 (13/81) ======================= q-point: ( 0.43 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 5.861 4.671 15.981) 17.652 2.477 ( 22.310 12.121 35.610) 43.734 3.121 ( -19.977 -11.138 22.758) 32.266 3.564 ( 2.752 -1.271 5.789) 6.535 3.862 ( -2.350 -1.500 26.151) 26.300 4.225 ( 25.830 17.108 11.003) 32.878 5.362 ( 5.763 5.180 4.754) 9.091 5.461 ( -0.401 4.529 3.314) 5.626 5.566 ( 1.417 -3.962 1.851) 4.597 5.722 ( 10.100 3.119 8.682) 13.679 5.945 ( 10.843 5.760 19.865) 23.353 6.011 ( -13.671 -5.666 4.241) 15.394 6.152 ( -6.013 -1.163 14.123) 15.393 6.461 ( 2.214 -7.836 2.441) 8.501 6.601 ( 0.937 9.965 5.817) 11.576 6.853 ( -6.423 -11.690 -1.873) 13.469 7.422 ( 8.436 8.472 -10.482) 15.900 7.795 ( 3.398 -1.186 0.944) 3.721 7.914 ( 7.936 5.965 13.642) 16.872 8.119 ( -7.085 7.124 12.972) 16.408 8.366 ( -0.115 -1.458 14.300) 14.374 8.375 ( -0.548 1.538 12.664) 12.769 8.552 ( -21.383 -2.627 -0.314) 21.546 8.631 ( -9.849 -22.961 5.345) 25.550 8.701 ( -3.463 -2.491 11.696) 12.449 8.722 ( -2.492 -4.064 12.416) 13.300 10.249 ( -1.903 2.286 -3.132) 4.319 10.612 ( 6.516 -6.008 -8.652) 12.386 10.722 ( -10.200 1.986 -11.199) 15.277 11.038 ( 0.310 -1.027 -6.233) 6.325 11.623 ( 4.164 1.396 -5.610) 7.124 11.665 ( 6.457 8.209 -4.212) 11.261 11.750 ( 1.001 -2.183 -0.861) 2.551 11.785 ( -1.558 -2.405 6.288) 6.910 11.905 ( 2.823 -0.126 8.744) 9.189 12.006 ( -4.831 1.666 1.211) 5.252 12.127 ( 0.595 0.142 6.806) 6.834 12.246 ( 5.791 5.798 13.459) 15.757 12.451 ( -10.266 -2.543 7.822) 13.154 12.751 ( 2.900 -6.342 -0.655) 7.004 13.256 ( -0.766 1.376 -6.018) 6.221 13.436 ( -3.054 -1.793 0.350) 3.559 14.237 ( 5.082 2.950 -2.021) 6.214 14.350 ( -3.573 -3.112 -1.885) 5.100 14.873 ( 2.812 3.767 -4.751) 6.684 15.079 ( 1.152 0.058 -2.086) 2.384 16.176 ( 13.567 9.268 -8.561) 18.527 16.458 ( -10.426 -8.128 -11.324) 17.407 18.611 ( 1.946 2.181 -1.878) 3.474 18.843 ( -5.592 -4.150 -2.519) 7.406 18.914 ( 3.624 2.365 -10.513) 11.369 19.476 ( 2.233 1.171 -7.223) 7.651 21.125 ( 0.813 0.472 10.951) 10.991 21.230 ( -3.222 -1.868 18.419) 18.792 27.854 ( 0.574 0.273 -3.799) 3.851 27.892 ( -1.114 -0.604 -3.397) 3.626 37.034 ( 1.042 0.664 -3.198) 3.429 38.738 ( -1.538 -1.089 -16.435) 16.543 39.910 ( 0.529 0.866 -13.040) 13.080 40.093 ( 3.686 1.714 -26.731) 27.038 ======================= Grid point 63 (14/81) ======================= q-point: ( 0.14 0.14 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 24.748 32.803 19.569) 45.513 1.801 ( 11.941 28.999 35.435) 47.320 2.731 ( 21.152 39.801 24.575) 51.337 3.671 ( 4.627 5.465 6.755) 9.844 3.767 ( -9.317 -14.946 22.688) 28.722 3.951 ( -5.421 -10.266 24.112) 26.761 5.150 ( 2.532 4.141 3.518) 5.995 5.312 ( 5.754 8.617 5.839) 11.893 5.504 ( 3.028 3.922 3.534) 6.086 5.548 ( 0.238 13.684 15.542) 20.709 5.592 ( 11.300 9.468 18.900) 23.969 6.081 ( 2.201 3.441 -8.333) 9.281 6.347 ( -5.141 -9.140 -7.018) 12.619 6.523 ( -4.380 -4.871 19.877) 20.929 6.628 ( -0.047 -1.098 5.577) 5.684 7.027 ( 9.570 8.633 -6.822) 14.583 7.250 ( -9.485 -4.174 -5.455) 11.711 7.596 ( 4.404 4.740 -4.742) 8.022 7.855 ( 0.475 2.643 18.265) 18.461 8.049 ( 2.721 -1.955 21.464) 21.724 8.410 ( -1.910 -3.256 14.354) 14.842 8.456 ( -0.817 -1.720 13.853) 13.983 8.628 ( -0.617 -0.687 13.289) 13.321 8.699 ( 1.631 2.581 12.968) 13.323 9.262 ( -22.412 -44.582 -0.658) 49.903 9.894 ( -33.057 -10.493 -3.380) 34.847 10.032 ( 10.120 -21.295 -0.786) 23.591 10.668 ( -4.114 7.633 -9.762) 13.057 10.747 ( 1.412 -5.672 -12.898) 14.161 11.144 ( 5.439 3.851 -7.832) 10.284 11.350 ( 1.704 5.674 -6.366) 8.696 11.486 ( 5.696 4.256 -8.876) 11.373 11.771 ( -2.043 -0.190 0.129) 2.056 11.855 ( 0.669 0.588 7.615) 7.667 11.934 ( -6.451 0.512 9.422) 11.430 12.041 ( 5.318 0.498 5.933) 7.983 12.100 ( 1.900 -0.049 12.202) 12.349 12.154 ( 1.675 -4.045 10.498) 11.374 12.381 ( 5.100 3.031 6.678) 8.933 13.018 ( -23.065 2.715 4.487) 23.653 13.266 ( 10.056 -11.676 2.107) 15.552 13.483 ( 2.116 0.145 -3.301) 3.923 14.060 ( 3.121 9.394 -0.455) 9.910 14.507 ( -3.442 -6.186 -1.836) 7.313 14.741 ( 1.108 -0.938 -8.027) 8.157 15.036 ( 0.951 2.448 -1.963) 3.279 15.711 ( 10.991 18.861 -6.518) 22.782 16.654 ( -0.698 0.227 -23.099) 23.110 18.600 ( 1.786 -1.053 -2.452) 3.211 18.683 ( 3.038 8.785 -6.414) 11.294 19.085 ( -3.244 -5.737 -4.200) 7.815 19.357 ( 2.409 4.410 -6.868) 8.510 21.104 ( 0.336 0.582 9.366) 9.390 21.450 ( -8.824 -15.271 30.562) 35.286 27.840 ( 0.168 0.339 -3.682) 3.701 27.934 ( -0.959 -1.674 -3.182) 3.722 36.987 ( 1.858 3.104 -3.169) 4.809 38.712 ( 8.733 15.541 -42.780) 46.346 39.713 ( -3.576 -6.932 -12.767) 14.961 40.038 ( 7.404 13.248 -21.297) 26.152 ======================= Grid point 64 (15/81) ======================= q-point: ( 0.29 0.14 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 8.154 27.212 25.015) 37.852 2.330 ( 7.172 35.350 22.369) 42.443 3.175 ( 19.506 -8.500 12.128) 24.492 3.408 ( -15.544 -11.671 25.332) 31.930 3.779 ( 0.775 -13.643 23.471) 27.159 4.156 ( 18.847 35.403 8.805) 41.062 5.229 ( 7.566 -7.994 1.341) 11.088 5.439 ( 0.959 7.145 6.042) 9.406 5.588 ( 1.513 2.359 3.094) 4.175 5.670 ( 2.388 9.327 12.925) 16.117 5.824 ( 9.471 5.233 18.826) 21.714 6.117 ( -4.386 -5.592 1.761) 7.322 6.205 ( -1.468 -1.801 6.279) 6.695 6.398 ( -2.355 -3.327 10.182) 10.968 6.652 ( 0.711 4.362 3.045) 5.367 6.995 ( -16.464 -0.541 -3.034) 16.750 7.324 ( 14.426 8.933 -8.099) 18.802 7.702 ( 5.508 -1.011 -4.368) 7.102 7.885 ( 1.319 3.145 17.821) 18.144 8.162 ( 7.844 1.469 16.838) 18.634 8.359 ( -1.389 -2.594 15.229) 15.510 8.398 ( -4.832 -5.259 8.728) 11.278 8.543 ( -10.883 -22.680 5.468) 25.743 8.629 ( -0.611 -7.006 13.095) 14.864 8.742 ( -0.039 2.190 13.212) 13.392 9.156 ( -43.562 -4.356 -1.882) 43.820 9.981 ( 10.850 -30.301 -1.121) 32.204 10.556 ( -3.218 -2.926 -7.547) 8.711 10.831 ( 2.670 5.667 -13.032) 14.460 11.174 ( -7.468 7.874 -10.886) 15.372 11.521 ( 9.821 4.095 -8.895) 13.869 11.636 ( 6.022 5.795 -7.741) 11.391 11.727 ( -1.603 -1.474 2.702) 3.470 11.832 ( -5.301 0.051 10.942) 12.158 11.881 ( 1.041 1.531 8.368) 8.570 12.084 ( -2.833 1.254 5.337) 6.171 12.113 ( 0.812 -1.960 7.321) 7.622 12.191 ( 7.023 1.464 13.992) 15.724 12.445 ( 2.568 -10.248 3.813) 11.232 12.819 ( -9.139 12.291 -0.211) 15.318 13.250 ( 0.186 -6.737 -2.340) 7.134 13.461 ( -2.474 -3.278 -1.847) 4.503 14.210 ( 4.529 8.746 -1.970) 10.044 14.406 ( -5.007 -1.685 -1.763) 5.570 14.798 ( 5.964 -2.145 -4.283) 7.649 15.078 ( 0.981 2.796 -2.587) 3.933 16.048 ( 12.507 11.489 -7.804) 18.690 16.528 ( -7.838 -7.865 -12.954) 17.061 18.569 ( -0.286 -5.546 -2.493) 6.087 18.848 ( 4.068 7.661 -8.029) 11.819 18.995 ( -4.273 2.172 -4.578) 6.629 19.429 ( 3.163 0.650 -7.217) 7.907 21.119 ( 0.712 0.883 10.481) 10.543 21.260 ( -4.159 -5.114 20.421) 21.459 27.848 ( 0.419 0.404 -3.714) 3.760 27.902 ( -1.089 -1.368 -3.445) 3.863 37.045 ( 0.931 3.594 -3.259) 4.940 38.820 ( -3.467 6.149 -21.268) 22.409 39.626 ( 6.959 -17.444 -15.086) 24.090 40.245 ( 0.993 14.333 -22.768) 26.922 ======================= Grid point 65 (16/81) ======================= q-point: ( 0.43 0.14 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -18.837 28.422 12.833) 36.432 2.718 ( -3.946 11.416 35.069) 37.091 2.996 ( -2.097 0.497 22.063) 22.168 3.434 ( 9.000 -10.251 10.396) 17.151 3.720 ( 7.079 -12.112 24.811) 28.502 4.532 ( -8.571 12.571 3.760) 15.673 5.203 ( 8.817 -22.108 2.751) 23.960 5.484 ( -4.152 7.355 6.922) 10.920 5.630 ( -0.133 4.581 2.128) 5.053 5.800 ( 4.434 1.369 2.768) 5.404 5.913 ( -3.882 -2.860 13.965) 14.774 6.019 ( 2.208 -0.263 21.637) 21.751 6.098 ( -3.245 -2.050 17.905) 18.311 6.513 ( 4.481 9.438 1.370) 10.538 6.596 ( -5.795 -2.971 2.621) 7.020 6.908 ( 1.515 11.297 -5.442) 12.631 7.457 ( -2.958 -4.998 -10.838) 12.296 7.755 ( 8.291 -15.373 -4.913) 18.144 7.912 ( -1.746 -0.901 15.321) 15.447 8.040 ( -3.800 0.111 16.928) 17.349 8.336 ( 0.757 -1.818 14.993) 15.122 8.428 ( -1.707 2.096 15.667) 15.898 8.506 ( -21.301 -0.782 0.263) 21.317 8.606 ( 10.471 10.051 9.275) 17.225 8.656 ( 10.475 8.222 6.011) 14.610 8.756 ( -1.355 2.119 13.034) 13.275 9.869 ( 14.867 -33.483 -2.268) 36.705 10.561 ( 6.267 -3.879 -6.997) 10.162 10.873 ( -8.808 12.093 -12.772) 19.671 11.136 ( -4.054 7.482 -10.440) 13.469 11.637 ( 1.191 0.805 -4.152) 4.394 11.692 ( -2.021 -2.657 -1.737) 3.763 11.753 ( -2.672 -1.915 5.501) 6.408 11.794 ( 6.542 4.478 -4.741) 9.237 11.909 ( 0.373 1.565 10.106) 10.233 11.994 ( -5.016 -3.010 1.744) 6.104 12.127 ( 0.370 -0.058 6.949) 6.959 12.283 ( -3.191 -4.188 8.715) 10.181 12.353 ( 2.379 -0.155 12.841) 13.060 12.862 ( -0.880 11.460 -2.223) 11.707 13.203 ( 1.801 -6.205 -8.049) 10.321 13.414 ( 0.301 -0.408 2.870) 2.914 14.307 ( -4.635 2.199 -2.221) 5.591 14.355 ( 1.898 5.114 -1.889) 5.772 14.821 ( 1.793 -7.513 -3.213) 8.366 15.107 ( -0.651 1.816 -3.057) 3.615 16.275 ( -3.599 -3.965 -9.900) 11.255 16.356 ( 4.860 3.021 -8.291) 10.074 18.528 ( 3.936 -7.902 -2.070) 9.068 18.897 ( -4.696 8.294 -3.735) 10.236 18.998 ( -2.453 4.407 -9.634) 10.874 19.461 ( 1.666 -2.632 -7.215) 7.859 21.135 ( -0.306 0.521 11.679) 11.695 21.200 ( 0.721 -1.231 16.315) 16.377 27.858 ( 0.025 0.126 -3.791) 3.793 27.881 ( 0.201 -0.482 -3.430) 3.470 37.071 ( -1.622 2.692 -3.294) 4.553 38.812 ( -4.854 8.871 -15.212) 18.267 39.600 ( 12.155 -21.554 -16.312) 29.638 40.322 ( -6.280 11.015 -22.054) 25.440 ======================= Grid point 67 (17/81) ======================= q-point: (-0.43 0.14 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -29.301 10.889 20.064) 37.145 2.367 ( -32.507 7.008 28.280) 43.653 3.204 ( 1.382 -18.485 11.717) 21.930 3.431 ( 15.289 2.783 24.675) 29.161 3.780 ( 11.554 -7.689 23.774) 27.529 4.118 ( -41.830 4.063 8.638) 42.906 5.193 ( 4.403 -7.439 1.449) 8.765 5.457 ( -6.433 2.864 6.929) 9.879 5.579 ( -5.596 -1.611 3.076) 6.586 5.711 ( -6.739 0.876 11.231) 13.127 5.822 ( -11.724 -6.323 20.228) 24.220 6.106 ( 10.901 2.346 0.731) 11.174 6.160 ( 2.115 2.525 6.414) 7.211 6.453 ( 3.069 -5.016 14.006) 15.191 6.647 ( -4.854 5.621 0.016) 7.427 7.060 ( 0.930 8.638 -4.450) 9.761 7.297 ( -6.286 -4.971 -10.230) 12.996 7.694 ( -1.650 -7.588 -3.627) 8.571 7.899 ( -2.115 1.047 16.663) 16.830 8.024 ( -1.424 2.768 20.338) 20.575 8.357 ( 2.730 -0.124 14.994) 15.241 8.404 ( 4.575 1.407 9.757) 10.868 8.549 ( 23.731 -0.984 3.776) 24.049 8.625 ( 3.648 -3.038 14.097) 14.875 8.743 ( -1.692 1.031 13.095) 13.245 9.333 ( 25.905 34.337 -1.748) 43.048 9.867 ( 20.390 -29.036 -2.751) 35.586 10.642 ( 8.315 -4.961 -8.271) 12.735 10.794 ( -9.382 4.995 -11.004) 15.298 11.176 ( -3.051 9.516 -11.552) 15.274 11.508 ( -10.890 -6.084 -7.455) 14.532 11.606 ( -6.582 0.126 -6.791) 9.458 11.751 ( 2.319 -1.265 2.016) 3.323 11.866 ( -2.164 2.290 10.968) 11.412 11.932 ( 2.271 -1.814 13.498) 13.807 11.962 ( 1.863 5.904 -0.768) 6.238 12.122 ( 0.015 -0.741 5.139) 5.192 12.156 ( -4.592 -2.545 13.122) 14.133 12.413 ( 2.867 -2.667 9.184) 9.984 12.997 ( 4.896 8.368 -4.783) 10.811 13.159 ( -0.425 -4.602 -0.639) 4.665 13.458 ( 3.161 0.540 -1.336) 3.474 14.221 ( -7.588 0.131 -1.980) 7.843 14.423 ( 1.881 3.024 -1.558) 3.887 14.755 ( -0.905 -4.462 -4.402) 6.332 15.085 ( -2.703 0.013 -2.684) 3.809 16.036 ( -15.378 -4.180 -7.361) 17.554 16.552 ( 10.065 1.283 -13.513) 16.898 18.554 ( 4.135 -1.574 -2.195) 4.939 18.855 ( -7.777 -0.351 -7.467) 10.787 18.995 ( 0.090 4.891 -5.315) 7.224 19.432 ( -2.135 -2.523 -7.172) 7.897 21.119 ( -1.119 -0.173 10.479) 10.540 21.260 ( 6.509 1.038 20.426) 21.463 27.849 ( -0.582 -0.211 -3.742) 3.793 27.901 ( 1.756 0.290 -3.428) 3.863 37.044 ( -3.590 1.052 -3.249) 4.955 38.825 ( -3.588 5.920 -21.356) 22.450 39.620 ( 11.506 -14.473 -15.026) 23.825 40.247 ( -12.780 6.134 -22.747) 26.803 ======================= Grid point 72 (18/81) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 13.378 20.256 26.458) 35.906 2.963 ( 2.055 11.899 10.341) 15.898 3.088 ( 9.516 0.553 16.623) 19.162 3.207 ( -8.492 -2.940 27.883) 29.295 3.545 ( -4.626 -7.955 22.524) 24.332 4.662 ( 9.558 15.712 -0.439) 18.396 4.946 ( -7.259 -15.075 3.244) 17.043 5.591 ( 4.383 4.897 5.737) 8.724 5.650 ( -0.622 6.072 1.827) 6.371 5.763 ( 0.156 -2.229 4.645) 5.155 5.935 ( 0.224 7.639 19.522) 20.965 5.967 ( 1.198 -5.888 20.196) 21.071 6.112 ( -3.503 -7.888 20.295) 22.054 6.510 ( 7.689 13.490 1.347) 15.586 6.719 ( -2.769 0.062 -3.220) 4.248 6.984 ( -6.439 -6.730 -4.602) 10.389 7.388 ( 4.934 2.108 -7.747) 9.423 7.548 ( -5.290 -11.002 -7.817) 14.496 7.960 ( 1.840 5.261 17.914) 18.761 8.066 ( -0.665 -4.701 18.330) 18.935 8.321 ( -0.692 -1.302 15.327) 15.398 8.457 ( 4.999 8.416 10.826) 14.595 8.509 ( 12.477 12.435 4.852) 18.271 8.557 ( -1.383 0.525 13.548) 13.629 8.774 ( 0.526 1.138 12.854) 12.915 9.065 ( -23.716 -9.681 -1.293) 25.648 9.316 ( -4.333 -30.578 -0.083) 30.883 10.498 ( -2.644 -2.446 -7.500) 8.320 11.018 ( 6.091 10.764 -13.023) 17.960 11.210 ( -1.929 -4.239 -13.937) 14.695 11.628 ( 2.358 6.400 -6.906) 9.707 11.707 ( 5.064 1.316 -3.147) 6.106 11.709 ( -1.492 0.601 1.987) 2.556 11.815 ( -4.693 -2.699 5.027) 7.388 11.934 ( -0.272 3.496 4.900) 6.025 11.989 ( 1.920 -5.737 6.363) 8.780 12.126 ( 0.351 1.060 6.743) 6.834 12.247 ( 4.550 4.698 11.413) 13.154 12.355 ( -2.683 -3.307 11.080) 11.871 12.989 ( -1.043 5.160 -5.451) 7.578 13.110 ( -0.949 -6.016 -5.932) 8.502 13.411 ( -1.007 -1.714 2.906) 3.520 14.346 ( 4.763 4.639 -2.155) 6.989 14.410 ( -2.897 0.740 -1.916) 3.551 14.729 ( -0.019 -2.926 -2.221) 3.674 15.122 ( 0.653 1.335 -3.571) 3.868 16.228 ( 5.716 7.852 -8.202) 12.712 16.387 ( -5.544 -6.998 -9.224) 12.837 18.444 ( -2.527 -4.724 -1.550) 5.577 19.010 ( 3.825 6.210 -8.199) 10.973 19.037 ( 0.774 1.739 -6.110) 6.400 19.418 ( -0.830 -1.294 -7.083) 7.248 21.141 ( 0.836 1.443 12.095) 12.209 21.187 ( -1.581 -2.729 15.451) 15.770 27.858 ( 0.324 0.650 -3.684) 3.755 27.877 ( -0.599 -1.112 -3.544) 3.763 37.102 ( 1.124 1.895 -3.375) 4.031 38.975 ( 5.241 9.513 -16.432) 19.697 39.309 ( -8.081 -14.423 -14.946) 22.287 40.427 ( 2.806 4.896 -21.346) 22.079 ======================= Grid point 110 (19/81) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 0.000 40.579) 40.579 1.520 ( -0.000 0.000 40.579) 40.579 3.091 ( 0.000 0.000 73.751) 73.751 4.122 ( 0.000 0.000 14.037) 14.037 4.419 ( 0.000 0.000 14.446) 14.446 4.419 ( -0.000 0.000 14.446) 14.446 5.428 ( -0.000 -0.000 0.817) 0.817 5.549 ( 0.000 0.000 16.904) 16.904 5.549 ( 0.000 0.000 16.904) 16.904 5.591 ( -0.000 0.000 33.819) 33.819 5.591 ( -0.000 0.000 33.819) 33.819 5.746 ( 0.000 0.000 -13.196) 13.196 6.369 ( 0.000 0.000 -11.364) 11.364 6.735 ( 0.000 0.000 8.673) 8.673 6.735 ( -0.000 0.000 8.673) 8.673 7.304 ( 0.000 0.000 41.385) 41.385 7.345 ( -0.000 0.000 -5.448) 5.448 7.345 ( 0.000 0.000 -5.448) 5.448 8.269 ( -0.000 0.000 26.356) 26.356 8.653 ( -0.000 0.000 25.560) 25.560 8.858 ( 0.000 0.000 19.458) 19.458 8.858 ( -0.000 -0.000 19.458) 19.458 8.963 ( 0.000 0.000 20.882) 20.882 8.963 ( -0.000 -0.000 20.882) 20.882 10.206 ( 0.000 -0.000 1.453) 1.453 10.333 ( 0.000 0.000 -5.009) 5.009 10.333 ( 0.000 0.000 -5.009) 5.009 10.473 ( -0.000 0.000 -4.049) 4.049 10.473 ( 0.000 0.000 -4.049) 4.049 11.117 ( 0.000 0.000 -14.278) 14.278 11.117 ( 0.000 0.000 -14.278) 14.278 11.203 ( 0.000 0.000 -6.895) 6.895 11.486 ( -0.000 -0.000 -10.222) 10.222 11.486 ( 0.000 0.000 -10.222) 10.222 12.142 ( -0.000 0.000 -0.052) 0.052 12.186 ( 0.000 0.000 11.998) 11.998 12.186 ( -0.000 0.000 11.998) 11.998 12.475 ( -0.000 0.000 15.624) 15.624 12.475 ( 0.000 0.000 15.624) 15.624 13.201 ( 0.000 -0.000 -15.636) 15.636 13.331 ( 0.000 0.000 -7.288) 7.288 13.958 ( 0.000 0.000 4.533) 4.533 13.958 ( 0.000 0.000 4.533) 4.533 14.390 ( 0.000 0.000 -22.823) 22.823 14.733 ( 0.000 0.000 -9.842) 9.842 14.941 ( -0.000 0.000 -2.951) 2.951 14.941 ( -0.000 0.000 -2.951) 2.951 15.929 ( 0.000 0.000 2.088) 2.088 18.529 ( 0.000 0.000 -2.608) 2.608 18.529 ( 0.000 -0.000 -2.608) 2.608 19.092 ( 0.000 0.000 -8.590) 8.590 19.092 ( -0.000 0.000 -8.590) 8.590 21.337 ( 0.000 -0.000 15.005) 15.005 22.565 ( -0.000 0.000 1.507) 1.507 27.738 ( 0.000 0.000 -5.520) 5.520 27.936 ( 0.000 0.000 -3.076) 3.076 36.836 ( 0.000 0.000 -5.326) 5.326 36.836 ( 0.000 0.000 -5.326) 5.326 39.498 ( 0.000 -0.000 -20.903) 20.903 39.498 ( 0.000 0.000 -20.903) 20.903 ======================= Grid point 111 (20/81) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 19.040 11.457 35.302) 41.713 1.980 ( 34.404 19.407 30.069) 49.643 3.277 ( 17.600 10.087 68.009) 70.970 3.938 ( -10.501 -5.894 13.567) 18.140 4.382 ( -3.916 -2.587 18.851) 19.427 4.553 ( 4.871 3.205 21.887) 22.650 5.353 ( -6.110 -5.901 18.230) 20.112 5.426 ( -0.260 1.557 10.958) 11.072 5.503 ( 3.981 4.243 8.846) 10.588 5.734 ( 5.940 -1.009 1.796) 6.287 5.830 ( 6.648 8.248 16.363) 19.493 5.891 ( 16.180 7.986 22.813) 29.086 6.299 ( -5.165 -2.967 -8.263) 10.186 6.734 ( 0.323 -0.313 8.145) 8.157 6.823 ( 6.495 4.250 4.734) 9.091 7.248 ( -6.000 -3.513 18.580) 19.838 7.290 ( -4.014 -2.181 17.724) 18.303 7.413 ( 5.866 3.195 -3.915) 7.743 8.281 ( 0.814 0.379 25.103) 25.119 8.582 ( -4.902 -2.554 24.911) 25.517 8.826 ( -2.409 -0.927 20.264) 20.428 8.835 ( -1.605 -1.461 20.458) 20.573 8.988 ( 1.606 1.234 21.011) 21.108 9.001 ( 2.528 1.197 20.906) 21.092 9.930 ( -29.314 -8.559 -0.782) 30.548 10.000 ( -26.942 -25.933 -1.875) 37.442 10.280 ( -4.976 -1.888 -2.518) 5.888 10.401 ( -0.133 -2.309 -9.814) 10.083 10.485 ( 4.922 6.344 -8.867) 11.963 11.045 ( -6.960 -1.925 -6.093) 9.449 11.114 ( 1.166 -3.268 -9.673) 10.276 11.238 ( 6.299 5.142 -10.484) 13.268 11.596 ( 6.558 3.361 -10.675) 12.972 11.729 ( 12.416 7.634 -8.973) 17.115 12.135 ( -0.099 -0.291 4.789) 4.799 12.174 ( -1.203 -0.843 9.983) 10.090 12.198 ( 0.829 0.963 9.014) 9.103 12.477 ( -0.540 1.370 15.893) 15.961 12.544 ( 6.716 2.411 12.954) 14.789 13.087 ( -9.190 -6.964 -13.409) 17.685 13.334 ( -0.989 0.442 -9.305) 9.368 13.695 ( -16.458 -8.645 11.025) 21.614 13.989 ( 3.358 1.149 3.025) 4.663 14.463 ( 4.249 2.860 -15.681) 16.496 14.559 ( -7.857 -4.636 -4.756) 10.288 14.958 ( 1.358 0.823 -3.045) 3.434 15.248 ( 18.999 10.856 -8.116) 23.338 16.106 ( 11.271 6.477 -10.525) 16.726 18.524 ( -0.420 0.106 -2.616) 2.652 18.544 ( 1.940 0.777 -3.453) 4.037 19.043 ( -4.442 -2.509 -7.969) 9.462 19.130 ( 3.287 1.848 -9.296) 10.031 21.345 ( 0.745 0.430 15.198) 15.223 22.285 ( -20.614 -11.902 13.164) 27.201 27.740 ( 0.153 0.087 -5.534) 5.536 27.901 ( -2.540 -1.467 -3.196) 4.338 36.857 ( 1.811 1.060 -5.389) 5.783 37.353 ( 37.501 21.633 -25.281) 50.134 39.459 ( -2.998 -1.643 -21.773) 22.040 39.506 ( 0.765 0.359 -21.275) 21.292 ======================= Grid point 112 (21/81) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 17.603 12.019 29.278) 36.215 2.687 ( 29.344 15.092 29.233) 44.084 3.753 ( 15.870 -8.373 29.522) 34.547 3.797 ( -1.151 17.386 26.991) 32.126 4.274 ( 1.205 -0.956 31.915) 31.952 4.562 ( -3.438 0.050 30.956) 31.146 5.315 ( 4.488 1.256 10.706) 11.676 5.489 ( 3.034 2.818 6.045) 7.327 5.627 ( 3.110 4.861 5.925) 8.271 5.856 ( 9.697 -4.226 5.428) 11.890 5.991 ( 5.134 10.567 7.909) 14.162 6.148 ( 2.816 -0.772 5.821) 6.512 6.279 ( 9.362 7.093 20.124) 23.301 6.736 ( 0.381 -2.828 11.465) 11.815 6.986 ( 6.455 7.584 -0.440) 9.969 7.067 ( -8.493 -5.806 4.472) 11.218 7.185 ( -5.669 -3.398 33.250) 33.900 7.569 ( 8.520 3.561 -3.537) 9.888 8.276 ( -1.094 -1.545 22.208) 22.288 8.525 ( -1.914 3.177 23.069) 23.365 8.766 ( -3.816 -2.565 19.542) 20.075 8.776 ( -5.026 -2.286 19.723) 20.481 9.011 ( -2.781 0.999 18.927) 19.156 9.041 ( 1.311 -0.873 19.753) 19.815 9.192 ( -37.151 -9.450 3.594) 38.502 9.346 ( -20.003 -32.127 3.130) 37.975 10.203 ( -6.518 5.441 -3.924) 9.353 10.399 ( 1.141 -2.081 -10.325) 10.594 10.558 ( 0.106 -2.414 -12.025) 12.265 10.945 ( -3.442 -1.842 -6.134) 7.271 11.175 ( 7.325 4.890 -9.914) 13.261 11.396 ( 7.098 3.940 -8.985) 12.109 11.673 ( 0.758 -0.298 -8.922) 8.959 11.907 ( 3.846 3.214 -4.688) 6.863 12.107 ( -2.004 -2.709 11.657) 12.134 12.147 ( -1.128 1.062 6.011) 6.207 12.241 ( 1.662 2.904 7.647) 8.347 12.500 ( 0.303 4.731 16.230) 16.908 12.697 ( 7.127 2.461 7.704) 10.780 12.813 ( -9.033 -15.462 -2.770) 18.120 13.219 ( -12.231 -1.362 -12.258) 17.370 13.508 ( -1.535 -0.755 8.133) 8.311 14.082 ( 5.749 1.619 -0.378) 5.984 14.401 ( -5.706 -3.500 -4.189) 7.897 14.607 ( 6.689 5.932 -7.732) 11.820 14.993 ( 1.707 0.898 -3.298) 3.820 15.642 ( 16.755 9.373 -10.830) 22.043 16.254 ( 1.697 0.515 -16.815) 16.908 18.526 ( 0.241 1.188 -2.755) 3.010 18.613 ( 4.655 1.644 -7.016) 8.579 18.914 ( -7.120 -3.791 -6.251) 10.205 19.214 ( 4.091 2.178 -10.606) 11.574 21.371 ( 1.680 0.971 15.824) 15.943 21.875 ( -15.418 -8.908 20.855) 27.423 27.745 ( 0.382 0.208 -5.546) 5.563 27.847 ( -2.284 -1.317 -4.051) 4.833 36.904 ( 2.260 1.368 -5.527) 6.126 38.047 ( 22.584 12.892 -32.405) 41.549 39.414 ( -0.624 0.239 -27.542) 27.550 39.526 ( 1.155 0.155 -22.134) 22.164 ======================= Grid point 113 (22/81) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 5.793 4.577 27.747) 28.712 3.227 ( 23.375 11.492 31.866) 41.157 3.673 ( -18.914 -8.312 31.923) 38.025 3.750 ( 1.651 -1.612 12.942) 13.146 4.504 ( -0.250 -2.013 33.965) 34.026 4.612 ( 13.112 10.064 25.359) 30.270 5.485 ( 9.909 3.089 8.939) 13.698 5.545 ( -1.944 9.555 5.509) 11.199 5.657 ( -0.134 -4.664 7.880) 9.158 5.859 ( -0.467 -3.506 2.953) 4.607 6.179 ( 4.782 2.604 5.515) 7.750 6.288 ( 14.026 5.471 14.299) 20.763 6.453 ( -1.455 5.556 17.387) 18.311 6.646 ( -3.037 -8.592 16.439) 18.795 6.939 ( -0.879 -2.989 15.480) 15.790 7.010 ( -7.240 -0.108 32.033) 32.841 7.225 ( 7.162 6.142 -6.426) 11.415 7.720 ( 5.603 1.782 -5.815) 8.269 8.240 ( -3.596 2.901 15.703) 16.369 8.372 ( -16.295 -10.238 2.936) 19.467 8.548 ( -12.875 0.138 11.232) 17.086 8.632 ( -0.107 -6.183 13.967) 15.275 8.822 ( -1.158 -2.087 23.517) 23.638 8.871 ( -5.555 -8.391 20.637) 22.960 9.057 ( 0.270 0.260 21.597) 21.600 9.084 ( -0.197 -0.019 21.975) 21.975 10.169 ( -3.438 4.382 -4.999) 7.484 10.378 ( 0.511 -4.570 -13.950) 14.688 10.511 ( -1.175 -1.270 -8.290) 8.469 10.896 ( -1.275 -0.531 -7.138) 7.271 11.388 ( 8.879 5.994 -13.995) 17.625 11.521 ( 4.456 1.524 -8.237) 9.488 11.629 ( -3.983 -1.868 -9.780) 10.724 11.908 ( -2.915 -1.292 0.203) 3.195 12.104 ( 2.160 1.089 7.440) 7.823 12.139 ( -1.111 0.859 9.617) 9.719 12.283 ( 0.659 1.398 7.976) 8.125 12.537 ( -1.820 -2.331 14.577) 14.874 12.619 ( -0.069 0.587 8.362) 8.383 12.756 ( -0.412 -3.605 0.948) 3.750 13.049 ( -4.616 -0.921 -12.310) 13.179 13.508 ( 0.290 0.171 6.454) 6.463 14.178 ( 3.213 2.009 -3.790) 5.359 14.299 ( -2.770 -2.888 -2.936) 4.963 14.754 ( 3.591 3.917 -6.430) 8.342 15.020 ( 0.778 0.224 -3.610) 3.700 15.942 ( 10.432 6.248 -13.943) 18.501 16.194 ( -5.198 -3.826 -13.385) 14.859 18.558 ( 1.403 1.687 -3.314) 3.975 18.691 ( 2.845 0.086 -10.375) 10.758 18.776 ( -5.042 -1.972 -4.322) 6.927 19.281 ( 1.861 0.952 -11.527) 11.714 21.415 ( 1.974 1.143 16.824) 16.978 21.640 ( -6.191 -3.582 20.417) 21.634 27.756 ( 0.473 0.254 -5.540) 5.566 27.808 ( -1.185 -0.674 -4.610) 4.807 36.943 ( 1.008 0.630 -5.639) 5.763 38.319 ( 4.874 2.662 -23.349) 24.000 39.437 ( 1.111 1.353 -35.543) 35.586 39.541 ( 0.681 -0.210 -22.839) 22.851 ======================= Grid point 118 (23/81) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 19.113 28.682 28.257) 44.569 2.453 ( 13.840 28.410 27.418) 41.838 3.546 ( 4.569 10.550 48.175) 49.528 3.909 ( 8.211 10.304 19.925) 23.887 4.286 ( -6.141 -7.641 25.034) 26.885 4.533 ( -1.373 -5.398 30.213) 30.722 5.310 ( -2.520 -1.580 11.703) 12.075 5.475 ( 3.890 6.583 10.955) 13.360 5.579 ( 6.570 5.320 5.007) 9.826 5.825 ( -1.327 8.795 -2.669) 9.287 6.016 ( 11.791 4.736 14.785) 19.495 6.064 ( 1.929 12.811 21.543) 25.139 6.240 ( 0.379 -0.312 2.780) 2.823 6.737 ( -1.262 1.403 9.948) 10.125 6.938 ( 6.067 6.390 -0.258) 8.816 7.125 ( -5.560 -8.806 9.295) 13.959 7.226 ( -2.533 -4.767 27.876) 28.394 7.510 ( 3.106 7.050 -2.497) 8.099 8.294 ( -0.353 1.011 23.354) 23.378 8.516 ( 0.520 -3.909 23.557) 23.884 8.780 ( -1.708 -2.982 20.912) 21.192 8.816 ( -1.553 -2.716 20.063) 20.305 8.986 ( -0.713 -1.984 20.704) 20.811 9.042 ( 0.420 1.143 19.365) 19.403 9.271 ( -18.519 -37.643 3.432) 42.091 9.825 ( -32.394 -11.353 -2.977) 34.454 10.019 ( 11.469 -21.583 -0.265) 24.442 10.441 ( -2.463 4.674 -11.413) 12.577 10.490 ( 0.618 -2.281 -11.566) 11.805 10.997 ( -0.318 -1.425 -7.241) 7.387 11.209 ( 2.165 5.269 -7.314) 9.271 11.288 ( 4.237 6.297 -10.493) 12.950 11.676 ( 0.614 2.472 -8.842) 9.201 11.880 ( 4.765 6.461 -6.434) 10.288 12.123 ( -2.863 -2.526 10.491) 11.164 12.158 ( 1.468 1.363 5.276) 5.643 12.231 ( 2.879 1.093 7.921) 8.499 12.484 ( 3.547 -3.298 14.649) 15.429 12.600 ( -1.828 5.650 13.011) 14.302 12.951 ( -10.030 -4.667 -8.687) 14.066 13.266 ( -0.596 -10.921 -10.413) 15.102 13.525 ( -2.203 -4.618 10.241) 11.448 14.054 ( 1.664 5.889 -0.011) 6.120 14.456 ( -3.017 -4.929 -3.069) 6.543 14.545 ( 4.479 4.822 -9.858) 11.853 14.983 ( 0.975 1.721 -3.233) 3.790 15.538 ( 9.781 17.481 -10.049) 22.411 16.237 ( 2.379 4.626 -16.523) 17.322 18.535 ( 0.667 -1.451 -3.818) 4.138 18.573 ( 1.358 4.904 -4.664) 6.903 18.969 ( -2.618 -4.944 -7.024) 8.980 19.182 ( 1.786 3.392 -10.218) 10.914 21.362 ( 0.819 1.417 15.610) 15.695 21.970 ( -10.307 -17.846 20.031) 28.740 27.743 ( 0.165 0.299 -5.538) 5.549 27.861 ( -1.433 -2.483 -3.819) 4.776 36.897 ( 1.759 2.957 -5.533) 6.515 37.900 ( 16.730 29.156 -33.791) 47.664 39.353 ( -4.441 -8.051 -22.125) 23.960 39.580 ( 3.542 6.398 -24.676) 25.737 ======================= Grid point 119 (24/81) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -2.265 33.693 23.863) 41.350 2.962 ( 25.114 14.179 27.639) 39.946 3.608 ( 6.471 -3.625 28.202) 29.161 3.971 ( -19.658 -1.028 27.757) 34.029 4.282 ( 12.683 -9.252 25.779) 30.183 4.574 ( 9.030 11.333 31.044) 34.259 5.308 ( 6.021 -7.487 6.867) 11.809 5.602 ( 3.322 10.264 11.626) 15.860 5.691 ( -0.093 2.042 7.504) 7.778 5.851 ( -1.788 1.469 0.636) 2.400 6.165 ( 2.700 6.397 8.871) 11.265 6.223 ( 6.568 12.903 6.286) 15.784 6.408 ( 10.947 5.950 25.642) 28.509 6.706 ( -6.306 0.892 16.566) 17.748 6.915 ( -5.448 -8.758 8.539) 13.391 7.094 ( -2.588 -6.180 23.855) 24.778 7.168 ( 6.015 8.161 -0.856) 10.174 7.617 ( 4.882 0.346 -2.671) 5.576 8.296 ( -0.581 4.099 20.168) 20.588 8.472 ( -14.098 -27.772 2.538) 31.249 8.574 ( 4.565 0.734 21.853) 22.337 8.727 ( -3.873 -2.256 18.592) 19.124 8.848 ( -2.954 -1.817 21.148) 21.430 8.995 ( -1.277 -2.162 21.290) 21.437 9.099 ( -1.076 1.458 20.782) 20.861 9.155 ( -33.088 -3.995 5.009) 33.703 9.959 ( 8.361 -29.441 -0.781) 30.615 10.361 ( -0.973 -3.331 -10.957) 11.493 10.550 ( 0.482 6.609 -13.853) 15.357 10.961 ( -4.254 1.625 -10.164) 11.137 11.340 ( 6.590 7.842 -8.771) 13.485 11.438 ( 6.067 3.924 -11.186) 13.317 11.663 ( -2.066 -1.652 -7.631) 8.076 11.929 ( -2.002 -2.779 -2.282) 4.115 12.089 ( 1.261 1.617 8.886) 9.119 12.196 ( -0.890 3.953 5.969) 7.214 12.283 ( 1.841 0.384 9.140) 9.331 12.475 ( 1.599 -7.159 11.469) 13.615 12.623 ( 0.099 2.821 13.666) 13.954 12.802 ( -5.312 2.991 -1.817) 6.361 13.102 ( -5.651 -9.949 -11.827) 16.456 13.506 ( 0.244 0.415 6.476) 6.494 14.162 ( 3.870 6.980 -2.481) 8.358 14.355 ( -5.574 -1.103 -3.190) 6.516 14.686 ( 7.069 1.045 -6.276) 9.511 15.013 ( 0.848 1.327 -3.537) 3.872 15.838 ( 10.353 10.554 -12.326) 19.248 16.231 ( -3.345 -3.009 -14.932) 15.596 18.502 ( 0.176 -5.310 -3.919) 6.602 18.682 ( 3.497 7.169 -7.707) 11.091 18.882 ( -5.232 0.270 -6.478) 8.331 19.239 ( 2.797 0.324 -11.115) 11.466 21.399 ( 1.731 2.120 16.478) 16.704 21.696 ( -7.400 -9.142 20.806) 23.900 27.751 ( 0.404 0.457 -5.488) 5.522 27.817 ( -1.309 -1.715 -4.534) 5.021 36.953 ( 0.913 3.365 -5.740) 6.716 38.299 ( 7.565 13.414 -27.840) 31.816 39.212 ( 1.832 -15.724 -24.783) 29.408 39.704 ( 0.041 11.736 -29.367) 31.626 ======================= Grid point 120 (25/81) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -15.749 23.469 23.957) 37.051 3.416 ( 9.274 1.519 19.306) 21.472 3.554 ( -12.201 3.065 42.586) 44.405 3.763 ( 1.545 3.089 19.239) 19.546 4.307 ( 9.762 -15.953 29.756) 35.146 4.755 ( -3.101 3.911 18.913) 19.561 5.300 ( 8.712 -19.484 7.036) 22.473 5.638 ( -6.250 4.779 9.494) 12.330 5.737 ( -0.956 6.788 9.740) 11.910 5.852 ( 1.244 -0.198 3.378) 3.605 6.290 ( -1.433 9.560 10.932) 14.593 6.392 ( -1.837 4.015 14.016) 14.695 6.509 ( -13.311 -2.050 21.559) 25.420 6.626 ( 10.968 9.307 8.946) 16.939 6.870 ( 6.785 -4.971 27.016) 28.295 6.957 ( -3.567 -4.377 17.726) 18.603 7.275 ( -2.721 -1.104 -4.792) 5.620 7.635 ( 6.946 -13.161 -5.710) 15.939 8.223 ( -3.512 5.167 12.694) 14.148 8.385 ( 0.326 9.975 10.884) 14.768 8.482 ( -10.910 -4.720 5.861) 13.253 8.694 ( -4.017 4.589 16.225) 17.333 8.832 ( 10.083 7.400 20.730) 24.211 8.846 ( -1.226 2.182 24.243) 24.372 9.009 ( 1.888 -3.857 22.459) 22.866 9.112 ( -1.072 1.680 21.420) 21.512 9.815 ( 11.928 -30.625 -2.888) 32.993 10.382 ( 7.370 -6.106 -9.916) 13.782 10.588 ( -7.328 11.980 -14.777) 20.386 10.920 ( -1.445 1.540 -10.318) 10.532 11.488 ( -4.504 -0.912 -13.201) 13.978 11.510 ( 4.891 3.048 -7.989) 9.851 11.604 ( -1.097 -1.085 -9.743) 9.864 11.864 ( 1.207 -2.843 -0.604) 3.148 12.130 ( -0.926 1.327 7.463) 7.636 12.185 ( -3.051 3.273 12.256) 13.047 12.286 ( -1.212 -0.724 8.072) 8.195 12.495 ( 3.993 0.897 12.505) 13.157 12.613 ( -1.574 -3.007 11.990) 12.461 12.791 ( 0.039 5.264 -5.311) 7.478 12.995 ( 1.245 -4.349 -9.794) 10.788 13.512 ( -0.139 0.231 6.756) 6.761 14.244 ( -4.704 3.405 -3.947) 7.021 14.305 ( 1.884 4.295 -2.804) 5.464 14.732 ( 0.736 -5.503 -5.423) 7.761 15.030 ( -0.137 0.637 -4.151) 4.202 16.016 ( -1.120 0.582 -14.841) 14.894 16.147 ( 1.468 -0.064 -11.580) 11.673 18.470 ( 3.529 -6.728 -3.494) 8.362 18.787 ( -0.576 6.964 -9.638) 11.905 18.803 ( -5.339 3.372 -6.015) 8.721 19.267 ( 1.490 -2.310 -11.430) 11.755 21.438 ( -0.697 1.195 17.309) 17.365 21.580 ( 1.492 -2.564 19.721) 19.942 27.761 ( -0.116 0.253 -5.461) 5.468 27.795 ( 0.358 -0.656 -4.788) 4.846 36.977 ( -1.487 2.485 -5.821) 6.502 38.419 ( -4.439 8.054 -22.284) 24.107 39.147 ( 10.610 -18.807 -27.369) 34.861 39.765 ( -6.092 10.699 -31.156) 33.500 ======================= Grid point 122 (26/81) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -26.983 16.595 24.540) 40.071 3.017 ( -26.955 -12.722 27.916) 40.838 3.619 ( 2.549 -7.871 27.474) 28.693 3.962 ( 8.034 15.765 25.560) 31.086 4.302 ( 3.858 -16.396 27.149) 31.950 4.543 ( -16.348 0.151 31.946) 35.886 5.282 ( 4.950 -7.187 7.541) 11.534 5.590 ( -6.711 4.654 8.139) 11.530 5.686 ( -6.625 -0.018 7.424) 9.950 5.908 ( 4.660 -1.308 3.878) 6.202 6.157 ( -17.520 1.847 1.841) 17.713 6.244 ( -9.477 -1.493 15.143) 17.926 6.363 ( -7.823 -2.558 23.970) 25.344 6.771 ( -0.597 0.328 17.177) 17.190 6.968 ( 8.202 -2.432 9.252) 12.601 6.991 ( 3.105 4.375 9.891) 11.252 7.167 ( -3.299 0.234 8.951) 9.542 7.636 ( -1.362 -5.414 -0.669) 5.622 8.293 ( 1.433 5.191 20.467) 21.164 8.413 ( 11.922 0.298 7.995) 14.357 8.529 ( 12.412 0.227 15.112) 19.558 8.726 ( 3.408 1.716 19.326) 19.699 8.858 ( 1.864 1.300 22.518) 22.632 9.004 ( 1.923 -2.888 22.194) 22.464 9.098 ( -2.018 1.168 21.161) 21.289 9.331 ( 22.449 29.287 3.420) 37.059 9.807 ( 18.602 -24.617 -2.964) 30.997 10.446 ( 7.126 -6.511 -10.254) 14.083 10.534 ( -8.023 4.505 -13.802) 16.588 10.955 ( 1.096 4.657 -10.292) 11.350 11.324 ( -10.446 -0.983 -9.925) 14.442 11.454 ( -7.056 -3.926 -8.175) 11.491 11.662 ( 3.433 1.100 -9.437) 10.102 11.922 ( 3.210 0.729 -3.891) 5.097 12.090 ( -1.349 -0.354 8.283) 8.400 12.180 ( -3.211 4.817 11.279) 12.678 12.249 ( -1.241 -1.539 6.878) 7.156 12.475 ( -1.174 -3.709 15.383) 15.867 12.654 ( 2.961 -0.622 13.963) 14.287 12.872 ( 3.616 3.292 -6.515) 8.146 13.047 ( 8.083 1.678 -11.420) 14.091 13.506 ( -0.485 -0.002 6.519) 6.537 14.167 ( -6.040 0.002 -3.186) 6.829 14.381 ( 1.902 3.713 -2.434) 4.829 14.643 ( -4.236 -4.249 -6.035) 8.510 15.016 ( -1.642 -0.270 -3.915) 4.254 15.839 ( -13.920 -3.609 -11.626) 18.492 16.241 ( 3.988 0.722 -15.661) 16.177 18.494 ( 3.981 -2.170 -3.655) 5.824 18.692 ( -7.605 -0.302 -7.827) 10.917 18.875 ( 2.537 5.123 -6.507) 8.662 19.242 ( -1.663 -2.364 -11.122) 11.491 21.399 ( -2.699 -0.436 16.478) 16.704 21.696 ( 11.615 1.830 20.803) 23.896 27.752 ( -0.606 -0.138 -5.509) 5.544 27.817 ( 2.149 0.284 -4.522) 5.015 36.952 ( -3.381 0.938 -5.725) 6.714 38.302 ( -15.449 0.013 -27.926) 31.914 39.208 ( 12.665 -9.184 -24.681) 29.221 39.705 ( -10.089 5.667 -29.397) 31.592 ======================= Grid point 127 (27/81) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 15.019 8.471 21.639) 27.669 3.249 ( -1.164 18.539 18.182) 25.993 3.664 ( 7.825 9.163 34.908) 36.929 3.899 ( -5.454 -7.881 36.377) 37.618 4.031 ( -5.723 -8.738 22.168) 24.505 4.785 ( 4.213 6.330 14.329) 16.222 5.067 ( -6.322 -12.535 8.900) 16.623 5.721 ( 4.398 2.585 7.509) 9.078 5.785 ( -2.280 5.644 11.519) 13.029 5.832 ( 1.061 -2.870 5.596) 6.378 6.389 ( 2.098 14.568 17.272) 22.693 6.461 ( 10.901 11.816 7.875) 17.901 6.512 ( 8.725 3.114 25.051) 26.709 6.713 ( -12.068 -2.511 21.517) 24.798 6.762 ( -5.091 -7.007 13.859) 16.343 6.935 ( -0.820 -9.693 5.560) 11.204 7.273 ( 4.404 4.109 -0.871) 6.086 7.459 ( -7.128 -12.450 0.751) 14.366 8.330 ( 1.795 8.697 13.224) 15.929 8.405 ( 3.376 5.837 12.682) 14.363 8.543 ( 5.532 -2.655 12.542) 13.962 8.727 ( 5.784 5.222 20.248) 21.696 8.871 ( 0.313 2.261 22.962) 23.076 8.947 ( -2.606 -2.391 23.028) 23.298 9.079 ( -18.963 -5.339 7.984) 21.257 9.136 ( -1.451 0.443 19.521) 19.580 9.328 ( -3.266 -28.927 1.868) 29.171 10.295 ( -2.926 -2.828 -12.142) 12.805 10.733 ( 5.519 10.111 -14.591) 18.590 10.928 ( -2.418 -5.186 -13.792) 14.932 11.455 ( 3.462 5.801 -9.398) 11.574 11.548 ( 1.489 4.915 -10.066) 11.301 11.603 ( -1.230 -4.227 -9.159) 10.162 11.834 ( -2.563 -4.748 -2.309) 5.869 12.146 ( 2.167 3.498 9.673) 10.512 12.222 ( -1.462 -2.496 10.572) 10.961 12.293 ( 2.893 2.505 9.864) 10.581 12.482 ( 0.436 5.023 11.366) 12.434 12.601 ( -1.466 -5.049 12.102) 13.195 12.849 ( -0.426 1.894 -7.342) 7.594 12.935 ( -2.564 -6.030 -9.295) 11.372 13.514 ( 0.171 0.291 6.925) 6.933 14.289 ( 4.984 5.112 -3.238) 7.839 14.360 ( -3.192 0.285 -2.826) 4.273 14.659 ( 0.607 -1.861 -4.800) 5.184 15.035 ( 0.312 0.691 -4.471) 4.535 16.010 ( 4.656 7.566 -12.673) 15.477 16.152 ( -3.571 -5.185 -13.160) 14.589 18.401 ( -1.987 -3.629 -2.584) 4.878 18.824 ( 3.313 6.324 -9.349) 11.763 18.887 ( 0.017 -0.649 -8.208) 8.234 19.230 ( -0.599 -0.870 -10.990) 11.041 21.451 ( 1.937 3.347 17.567) 17.988 21.554 ( -3.349 -5.789 19.336) 20.460 27.763 ( 0.440 0.793 -5.325) 5.401 27.788 ( -0.759 -1.339 -4.950) 5.184 37.006 ( 1.051 1.780 -5.976) 6.324 38.549 ( 7.241 12.842 -24.239) 28.370 38.907 ( -8.522 -15.062 -23.761) 29.395 39.868 ( 2.760 4.820 -32.265) 32.740 ======================= Grid point 165 (28/81) ======================= q-point: ( 0.00 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 0.000 43.140) 43.140 2.366 ( -0.000 0.000 43.140) 43.140 4.449 ( 0.000 0.000 17.533) 17.533 4.516 ( 0.000 -0.000 66.464) 66.464 4.684 ( 0.000 0.000 12.522) 12.522 4.684 ( 0.000 0.000 12.522) 12.522 5.450 ( 0.000 0.000 1.329) 1.329 5.536 ( 0.000 0.000 -6.735) 6.735 5.824 ( 0.000 0.000 9.779) 9.779 5.824 ( 0.000 0.000 9.779) 9.779 6.198 ( 0.000 0.000 -4.203) 4.203 6.340 ( 0.000 0.000 35.745) 35.745 6.340 ( 0.000 -0.000 35.745) 35.745 6.979 ( -0.000 0.000 14.434) 14.434 6.979 ( -0.000 0.000 14.434) 14.434 7.275 ( -0.000 0.000 0.742) 0.742 7.275 ( 0.000 0.000 0.742) 0.742 8.221 ( 0.000 0.000 47.518) 47.518 8.799 ( 0.000 0.000 25.697) 25.697 9.178 ( 0.000 0.000 25.915) 25.915 9.226 ( 0.000 0.000 15.015) 15.015 9.226 ( -0.000 0.000 15.015) 15.015 9.400 ( 0.000 0.000 20.317) 20.317 9.400 ( 0.000 -0.000 20.317) 20.317 10.244 ( -0.000 0.000 2.338) 2.338 10.287 ( 0.000 0.000 2.230) 2.230 10.287 ( -0.000 0.000 2.230) 2.230 10.417 ( 0.000 0.000 -0.835) 0.835 10.417 ( 0.000 0.000 -0.835) 0.835 10.843 ( 0.000 0.000 -12.436) 12.436 10.843 ( 0.000 0.000 -12.436) 12.436 11.023 ( 0.000 0.000 -10.805) 10.805 11.276 ( 0.000 0.000 -9.564) 9.564 11.276 ( 0.000 0.000 -9.564) 9.564 12.126 ( 0.000 -0.000 -1.824) 1.824 12.434 ( -0.000 -0.000 12.302) 12.302 12.434 ( 0.000 0.000 12.302) 12.302 12.750 ( 0.000 -0.000 11.503) 11.503 12.750 ( 0.000 0.000 11.503) 11.503 12.833 ( 0.000 0.000 -20.059) 20.059 13.064 ( -0.000 0.000 -21.269) 21.269 13.942 ( -0.000 0.000 -18.851) 18.851 14.072 ( 0.000 0.000 6.478) 6.478 14.072 ( -0.000 0.000 6.478) 6.478 14.542 ( 0.000 0.000 -8.636) 8.636 14.868 ( -0.000 0.000 -4.304) 4.304 14.868 ( 0.000 0.000 -4.304) 4.304 15.955 ( 0.000 0.000 0.123) 0.123 18.468 ( -0.000 0.000 -3.348) 3.348 18.468 ( -0.000 -0.000 -3.348) 3.348 18.896 ( 0.000 0.000 -10.439) 10.439 18.896 ( 0.000 0.000 -10.439) 10.439 21.676 ( 0.000 0.000 18.003) 18.003 22.604 ( 0.000 0.000 2.327) 2.327 27.627 ( 0.000 0.000 -5.226) 5.226 27.866 ( 0.000 -0.000 -3.708) 3.708 36.717 ( 0.000 0.000 -6.147) 6.147 36.717 ( -0.000 -0.000 -6.147) 6.147 39.015 ( 0.000 0.000 -26.347) 26.347 39.015 ( 0.000 0.000 -26.347) 26.347 ======================= Grid point 166 (29/81) ======================= q-point: ( 0.14 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 13.520 8.106 40.379) 43.347 2.650 ( 23.545 13.284 36.032) 45.046 4.261 ( -9.557 -5.707 17.827) 21.017 4.603 ( 5.355 4.283 57.573) 57.980 4.707 ( 3.661 0.924 17.354) 17.760 4.927 ( 13.294 7.926 15.946) 22.222 5.499 ( 4.063 2.024 1.847) 4.901 5.540 ( 0.355 0.513 -5.433) 5.469 5.735 ( -4.519 -2.683 14.083) 15.032 5.811 ( 0.556 0.191 12.189) 12.203 6.172 ( -2.891 -1.119 -0.076) 3.101 6.395 ( 4.297 0.648 27.237) 27.581 6.459 ( 9.003 6.884 26.920) 29.209 6.959 ( -1.100 -1.046 13.246) 13.333 7.020 ( 3.572 1.600 12.771) 13.358 7.258 ( -1.832 0.669 5.982) 6.292 7.378 ( 9.079 4.124 4.096) 10.780 8.191 ( -3.251 -1.877 48.173) 48.319 8.772 ( -2.325 -1.500 22.381) 22.552 9.065 ( -7.690 -3.929 21.912) 23.552 9.212 ( -1.771 -0.759 15.499) 15.618 9.228 ( 0.177 -0.426 16.174) 16.181 9.420 ( 1.534 0.265 19.466) 19.528 9.449 ( 1.197 1.536 22.105) 22.191 9.927 ( -33.226 -5.170 1.796) 33.674 9.992 ( -17.484 -30.469 1.789) 35.174 10.225 ( -8.645 0.993 -1.500) 8.831 10.279 ( -1.636 -1.310 -0.051) 2.097 10.391 ( 2.098 2.815 -0.021) 3.511 10.909 ( 1.500 -0.535 -8.326) 8.477 10.940 ( -2.877 -2.394 -6.218) 7.258 11.021 ( 9.128 5.839 -10.078) 14.797 11.362 ( 6.057 4.164 -11.415) 13.577 11.505 ( 13.634 7.686 -12.334) 19.928 12.141 ( 1.701 0.974 -2.038) 2.828 12.388 ( -4.377 -2.830 8.574) 10.034 12.429 ( -0.423 0.296 11.925) 11.936 12.755 ( -1.917 0.401 4.352) 4.773 12.764 ( 1.541 -2.617 5.437) 6.227 12.808 ( 1.067 1.949 -3.484) 4.132 13.025 ( -4.146 -2.007 -20.872) 21.374 13.772 ( -7.874 -4.541 -2.845) 9.525 14.069 ( 0.070 0.034 4.905) 4.906 14.251 ( 9.104 5.204 -3.333) 11.003 14.457 ( -4.333 -2.469 -5.039) 7.090 14.884 ( 1.258 0.933 -4.173) 4.457 15.082 ( 15.365 8.668 -8.096) 19.410 15.972 ( 1.096 0.635 -4.560) 4.732 18.463 ( -0.465 0.050 -3.401) 3.433 18.470 ( 0.471 -0.051 -3.810) 3.840 18.862 ( -3.092 -1.730 -9.611) 10.243 18.923 ( 2.323 1.293 -10.880) 11.200 21.686 ( 0.953 0.550 18.020) 18.054 22.473 ( -10.731 -6.196 6.913) 14.189 27.628 ( 0.170 0.098 -5.200) 5.203 27.833 ( -2.709 -1.564 -3.517) 4.707 36.737 ( 1.655 0.965 -6.268) 6.554 36.981 ( 21.663 12.496 -13.828) 28.577 38.964 ( -4.468 -2.551 -26.673) 27.165 39.016 ( 0.126 0.045 -26.654) 26.654 ======================= Grid point 167 (30/81) ======================= q-point: ( 0.29 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 14.670 9.778 36.076) 40.153 3.220 ( 27.126 14.115 26.095) 40.199 4.111 ( -3.930 -2.878 19.010) 19.624 4.587 ( -7.895 -2.127 28.877) 30.013 4.887 ( 11.128 2.904 28.964) 31.163 5.104 ( 1.335 3.268 22.206) 22.485 5.589 ( 8.382 1.355 7.421) 11.276 5.600 ( 1.456 5.866 3.846) 7.164 5.757 ( 6.810 3.371 15.989) 17.703 5.910 ( 9.631 0.413 7.840) 12.426 6.116 ( -1.831 2.824 7.603) 8.315 6.453 ( 3.576 0.219 17.266) 17.633 6.701 ( 9.024 10.702 15.178) 20.648 6.917 ( -2.312 -3.762 6.368) 7.749 7.086 ( 5.258 -3.155 12.504) 13.927 7.306 ( 3.687 10.031 22.025) 24.481 7.582 ( 10.248 2.098 8.425) 13.431 8.059 ( -9.285 -5.368 46.417) 47.640 8.682 ( -5.835 -6.070 16.004) 18.084 8.913 ( -16.282 0.372 11.096) 19.707 9.064 ( -18.682 -4.754 9.150) 21.338 9.101 ( -11.989 -13.985 13.896) 23.074 9.317 ( -4.674 -1.873 16.643) 17.388 9.391 ( -3.325 -7.779 14.281) 16.599 9.547 ( -1.309 -2.341 25.478) 25.619 9.582 ( -3.466 -7.577 19.147) 20.881 10.122 ( -10.153 8.847 -2.816) 13.758 10.207 ( -3.558 -5.951 -6.396) 9.433 10.420 ( 1.724 -2.647 -1.345) 3.434 10.839 ( -3.712 -1.588 -3.306) 5.219 10.984 ( 4.853 2.675 -9.003) 10.571 11.197 ( 8.078 2.228 -10.002) 13.048 11.461 ( 0.827 2.280 -10.816) 11.084 11.724 ( 6.489 4.203 -12.115) 14.372 12.156 ( -3.521 -2.055 -5.393) 6.761 12.296 ( 0.223 -0.586 4.753) 4.794 12.434 ( -0.674 2.322 10.919) 11.184 12.684 ( -5.675 -5.799 -8.884) 12.031 12.758 ( 3.498 -4.507 3.373) 6.628 12.892 ( 3.754 4.004 5.317) 7.642 12.928 ( -5.075 1.754 -2.351) 5.862 13.670 ( -1.856 -1.071 5.716) 6.105 14.079 ( 0.354 0.834 0.234) 0.936 14.310 ( -2.177 -3.630 -4.020) 5.838 14.499 ( 6.728 5.728 -3.178) 9.390 14.917 ( 1.181 1.309 -4.118) 4.479 15.413 ( 14.381 7.443 -11.439) 19.825 15.981 ( -0.614 -0.323 -10.811) 10.833 18.462 ( -0.241 1.311 -3.624) 3.861 18.486 ( 1.773 -0.517 -5.591) 5.888 18.773 ( -5.005 -2.581 -7.534) 9.406 18.984 ( 3.008 1.565 -11.844) 12.320 21.718 ( 2.105 1.217 18.058) 18.221 22.216 ( -11.601 -6.700 13.633) 19.114 27.635 ( 0.449 0.257 -5.101) 5.127 27.769 ( -2.895 -1.672 -3.649) 4.949 36.780 ( 2.076 1.241 -6.534) 6.968 37.492 ( 22.369 12.838 -22.896) 34.487 38.843 ( -6.257 -3.448 -28.840) 29.711 39.019 ( 0.195 -0.016 -27.360) 27.361 ======================= Grid point 168 (31/81) ======================= q-point: ( 0.43 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 5.621 4.193 34.441) 35.147 3.703 ( 16.889 7.995 19.123) 26.737 4.065 ( -0.876 -0.433 18.384) 18.410 4.370 ( -10.658 -5.307 32.448) 34.564 5.024 ( 3.422 1.200 12.240) 12.766 5.108 ( -0.518 -0.380 23.886) 23.895 5.667 ( -0.591 7.446 7.923) 10.888 5.716 ( 3.806 -2.098 8.380) 9.440 5.869 ( 1.460 -2.389 2.305) 3.626 6.052 ( 6.864 5.569 31.267) 32.493 6.241 ( 7.539 1.674 3.890) 8.647 6.599 ( 9.989 5.754 12.845) 17.259 6.719 ( -6.669 -1.359 11.478) 13.345 7.016 ( 6.860 0.933 16.201) 17.618 7.172 ( 6.885 8.954 9.620) 14.836 7.502 ( 10.396 0.416 28.209) 30.066 7.662 ( -3.949 0.567 7.621) 8.602 7.803 ( -12.747 -8.077 40.159) 42.901 8.386 ( -12.957 -9.012 1.516) 15.855 8.465 ( -16.899 -4.764 8.583) 19.543 8.823 ( -3.957 -4.810 16.157) 17.316 9.003 ( 0.511 0.560 18.006) 18.022 9.308 ( 1.322 -1.483 22.430) 22.518 9.314 ( -1.355 -0.708 19.376) 19.436 9.530 ( -0.012 -0.531 24.856) 24.862 9.567 ( 0.625 -0.011 25.182) 25.190 10.062 ( -8.718 11.853 -4.880) 15.502 10.089 ( 1.427 -11.865 -11.903) 16.867 10.419 ( 0.892 -1.725 -0.765) 2.088 10.788 ( -1.510 -0.059 -2.267) 2.725 11.101 ( 4.240 2.834 -13.824) 14.735 11.327 ( 6.411 0.311 -10.634) 12.421 11.432 ( -4.575 0.165 -8.711) 9.841 11.797 ( -0.052 0.544 -9.667) 9.683 12.082 ( -0.049 -0.776 -8.209) 8.246 12.337 ( 0.816 1.496 5.713) 5.961 12.438 ( -1.517 2.285 7.659) 8.136 12.504 ( -4.692 -6.619 -18.950) 20.614 12.803 ( 4.868 -3.296 12.391) 13.715 12.892 ( -2.872 2.743 11.912) 12.557 12.970 ( 1.347 2.324 4.047) 4.857 13.661 ( 0.229 0.161 7.578) 7.583 14.090 ( -0.040 0.986 -4.464) 4.572 14.242 ( -1.310 -2.725 -2.558) 3.960 14.637 ( 3.444 3.091 -4.899) 6.739 14.939 ( 0.319 0.536 -4.326) 4.371 15.645 ( 6.902 3.270 -14.743) 16.604 15.947 ( -1.975 -1.034 -11.128) 11.349 18.481 ( 0.218 2.214 -4.165) 4.722 18.508 ( 1.643 -1.430 -7.679) 7.982 18.677 ( -3.324 -1.467 -5.331) 6.451 19.033 ( 1.388 0.692 -12.613) 12.708 21.772 ( 2.365 1.369 18.039) 18.245 22.017 ( -5.890 -3.405 16.759) 18.087 27.647 ( 0.531 0.303 -4.942) 4.980 27.719 ( -1.465 -0.845 -4.034) 4.374 36.815 ( 0.929 0.568 -6.745) 6.833 37.848 ( 9.231 5.234 -22.651) 25.014 38.730 ( -3.452 -1.826 -33.724) 33.949 39.022 ( 0.104 -0.042 -27.944) 27.944 ======================= Grid point 173 (32/81) ======================= q-point: ( 0.14 0.14 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 14.394 21.748 35.500) 44.050 3.013 ( 11.893 24.013 29.366) 39.754 4.142 ( -3.436 -4.996 19.924) 20.826 4.680 ( 6.321 -4.404 21.571) 22.906 4.744 ( -4.868 7.591 39.114) 40.140 5.079 ( 4.659 5.318 24.187) 25.199 5.510 ( -1.278 -1.317 5.316) 5.624 5.624 ( 5.976 8.290 -1.332) 10.306 5.787 ( 4.690 0.822 16.568) 17.239 5.814 ( 0.520 13.691 10.339) 17.164 6.125 ( 0.109 -4.255 4.669) 6.318 6.511 ( -2.876 7.989 19.820) 21.563 6.579 ( 13.362 7.048 16.760) 22.564 6.974 ( -1.037 2.044 14.139) 14.323 7.007 ( -3.757 -0.803 6.337) 7.411 7.279 ( 5.802 0.191 16.934) 17.901 7.537 ( 4.167 12.261 8.695) 15.598 8.107 ( -4.351 -7.524 47.322) 48.114 8.727 ( -3.690 -3.098 17.437) 18.091 8.951 ( -0.535 -9.834 18.324) 20.803 9.126 ( -11.797 -19.957 8.734) 24.773 9.176 ( -1.993 -4.608 14.729) 15.561 9.323 ( -3.919 -8.375 15.192) 17.784 9.463 ( 1.460 1.146 22.209) 22.287 9.551 ( -3.667 -3.667 20.231) 20.885 9.813 ( -27.678 -6.965 4.113) 28.836 10.037 ( 14.527 -21.959 2.840) 26.482 10.270 ( -3.582 -0.154 -3.411) 4.949 10.319 ( -3.998 -2.344 -4.237) 6.279 10.859 ( -2.593 -4.276 -6.014) 7.822 11.063 ( 9.032 1.610 -7.263) 11.701 11.079 ( -3.230 11.793 -8.949) 15.153 11.460 ( 3.400 3.387 -11.360) 12.332 11.672 ( 4.704 7.787 -12.658) 15.588 12.165 ( -0.215 -0.492 -4.135) 4.170 12.305 ( -2.354 -2.964 5.000) 6.271 12.445 ( 2.476 0.545 11.588) 11.862 12.710 ( -3.336 -0.237 4.710) 5.776 12.762 ( -5.699 -2.418 -8.144) 10.230 12.840 ( 3.817 1.553 4.501) 6.102 12.973 ( 0.900 -2.972 -7.641) 8.248 13.685 ( -1.883 -3.264 4.104) 5.572 14.070 ( 0.760 0.790 1.814) 2.120 14.379 ( -5.212 3.373 -4.286) 7.544 14.411 ( 7.746 1.482 -3.092) 8.471 14.910 ( 1.428 1.498 -3.846) 4.368 15.327 ( 8.135 15.301 -10.531) 20.278 15.982 ( -0.025 -0.077 -9.698) 9.699 18.453 ( -0.347 -1.758 -4.210) 4.576 18.485 ( 0.697 2.440 -4.232) 4.935 18.811 ( -1.833 -3.593 -8.402) 9.320 18.959 ( 1.230 2.416 -11.467) 11.783 21.707 ( 1.033 1.787 18.049) 18.166 22.285 ( -7.091 -12.280 12.135) 18.664 27.632 ( 0.210 0.366 -5.133) 5.150 27.785 ( -1.781 -3.085 -3.563) 5.038 36.773 ( 1.576 2.670 -6.516) 7.216 37.354 ( 13.778 23.958 -21.415) 34.963 38.853 ( -4.949 -8.734 -26.762) 28.583 39.042 ( 1.334 2.437 -28.240) 28.376 ======================= Grid point 174 (33/81) ======================= q-point: ( 0.29 0.14 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 0.512 26.065 30.899) 40.428 3.463 ( 22.536 11.480 24.284) 35.063 4.089 ( -0.930 1.360 19.549) 19.619 4.557 ( -14.843 -1.216 27.693) 31.444 4.777 ( 10.516 -12.932 20.258) 26.234 5.152 ( 0.548 1.145 22.382) 22.418 5.514 ( 6.235 -9.192 13.033) 17.124 5.813 ( 4.165 8.935 0.210) 9.860 5.830 ( -1.387 6.871 4.749) 8.467 6.038 ( 5.601 11.447 29.949) 32.548 6.174 ( 6.509 6.956 3.312) 10.086 6.561 ( 2.122 7.281 15.486) 17.243 6.852 ( -10.598 1.124 12.866) 16.706 6.971 ( 18.077 15.787 5.148) 24.546 6.993 ( 5.572 -6.674 11.748) 14.615 7.377 ( 4.224 -1.265 24.573) 24.966 7.686 ( 1.645 3.881 15.139) 15.715 7.904 ( -9.852 -9.884 41.858) 44.123 8.461 ( -12.588 -18.344 2.752) 22.417 8.752 ( -6.580 -5.605 17.394) 19.423 8.906 ( -14.598 -3.887 7.605) 16.912 9.040 ( -2.258 1.350 16.744) 16.949 9.284 ( -1.343 -0.419 20.349) 20.397 9.369 ( -8.522 1.044 17.389) 19.393 9.513 ( -1.553 -3.177 25.386) 25.631 9.554 ( 1.445 1.847 22.026) 22.150 9.964 ( -0.382 -23.647 1.740) 23.714 10.162 ( 4.060 -7.750 -6.922) 11.156 10.318 ( -1.853 4.688 -7.088) 8.698 10.787 ( -1.195 -4.128 -6.155) 7.506 11.159 ( -0.465 11.450 -10.545) 15.573 11.213 ( 7.391 1.277 -8.840) 11.593 11.483 ( -1.557 -1.226 -9.222) 9.433 11.769 ( 2.238 -0.770 -11.596) 11.835 12.097 ( -2.141 -1.330 -7.635) 8.040 12.334 ( 2.747 2.769 5.273) 6.559 12.475 ( -2.400 -0.994 5.088) 5.713 12.593 ( -7.680 0.289 -12.612) 14.770 12.696 ( 2.513 -2.105 7.951) 8.601 12.888 ( 1.743 -0.589 8.513) 8.710 12.990 ( 0.900 -0.018 5.793) 5.863 13.659 ( 0.032 0.013 7.231) 7.231 14.119 ( 1.883 4.300 -1.635) 4.970 14.286 ( -6.161 0.613 -3.447) 7.086 14.565 ( 6.982 0.650 -5.555) 8.946 14.944 ( 0.697 1.232 -3.240) 3.536 15.577 ( 7.569 9.512 -13.075) 17.853 15.957 ( -1.504 -2.487 -12.086) 12.431 18.419 ( 0.218 -4.510 -4.208) 6.172 18.543 ( 1.509 5.343 -6.210) 8.330 18.742 ( -3.985 -0.821 -7.167) 8.241 19.001 ( 2.128 0.226 -12.080) 12.268 21.754 ( 2.112 2.582 18.062) 18.367 22.068 ( -6.649 -8.283 16.097) 19.286 27.643 ( 0.487 0.626 -4.969) 5.032 27.730 ( -1.673 -2.218 -3.934) 4.816 36.823 ( 0.857 2.981 -6.857) 7.526 37.766 ( 12.039 15.451 -24.230) 31.157 38.672 ( -3.493 -13.398 -27.898) 31.145 39.091 ( -0.636 6.007 -30.959) 31.543 ======================= Grid point 175 (34/81) ======================= q-point: ( 0.43 0.14 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -11.705 17.302 30.929) 37.322 3.793 ( 3.064 0.504 19.076) 19.327 4.102 ( -2.860 4.025 15.830) 16.582 4.354 ( -4.044 4.438 34.017) 34.543 4.807 ( 9.814 -15.381 18.257) 25.811 5.164 ( 0.492 0.309 18.057) 18.066 5.491 ( 6.152 -15.636 11.907) 20.594 5.833 ( -4.763 5.156 6.513) 9.576 5.896 ( 1.481 3.923 5.615) 7.008 6.162 ( -5.046 4.385 28.637) 29.407 6.336 ( -0.111 8.519 -0.404) 8.529 6.672 ( -2.306 0.490 10.991) 11.241 6.703 ( -3.515 0.097 6.747) 7.609 7.019 ( 9.933 1.280 19.566) 21.981 7.268 ( -13.225 -2.800 18.329) 22.775 7.464 ( 7.031 -10.940 13.050) 18.423 7.603 ( 10.334 5.009 28.942) 31.137 7.710 ( -4.887 -3.401 29.729) 30.319 8.391 ( 4.964 10.082 3.455) 11.757 8.448 ( -15.974 3.003 7.850) 18.050 8.807 ( 1.566 2.839 17.436) 17.735 9.059 ( -3.419 2.966 18.049) 18.608 9.284 ( 4.723 1.178 19.903) 20.490 9.343 ( -0.944 2.159 22.805) 22.927 9.493 ( 1.833 -2.955 24.624) 24.868 9.583 ( -0.158 1.121 24.518) 24.544 9.765 ( 6.120 -22.159 -1.248) 23.023 10.199 ( 9.914 -11.072 -7.173) 16.502 10.315 ( -6.237 8.861 -10.107) 14.818 10.753 ( 1.968 -3.995 -5.086) 6.760 11.210 ( -4.614 5.131 -13.349) 15.027 11.342 ( 6.208 2.939 -8.837) 11.193 11.409 ( -4.602 -2.801 -8.564) 10.117 11.757 ( 1.729 -3.744 -8.649) 9.582 12.112 ( -0.759 3.000 -9.438) 9.933 12.338 ( 0.715 -6.318 -10.670) 12.421 12.415 ( -2.545 6.245 9.696) 11.810 12.556 ( -2.304 5.342 -4.112) 7.124 12.759 ( 5.978 -2.831 11.610) 13.362 12.891 ( -0.737 0.037 11.581) 11.605 12.971 ( -1.111 -3.229 6.288) 7.155 13.663 ( -0.115 0.101 7.489) 7.490 14.156 ( -5.469 5.288 -4.426) 8.801 14.249 ( 1.873 3.395 -2.616) 4.677 14.614 ( 1.393 -5.118 -5.971) 7.987 14.951 ( -0.764 0.718 -3.494) 3.648 15.709 ( -1.006 3.315 -14.980) 15.375 15.914 ( 1.075 -2.310 -11.261) 11.546 18.394 ( 2.635 -4.969 -3.936) 6.864 18.605 ( -2.226 5.247 -8.023) 9.841 18.684 ( -1.802 1.795 -6.064) 6.576 19.022 ( 1.096 -1.659 -12.341) 12.500 21.800 ( -0.818 1.407 17.993) 18.067 21.957 ( 1.557 -2.684 17.317) 17.593 27.654 ( -0.236 0.417 -4.828) 4.852 27.702 ( 0.503 -0.875 -4.198) 4.317 36.845 ( -1.282 2.162 -6.997) 7.435 37.959 ( -3.680 6.617 -22.616) 23.850 38.556 ( 7.231 -12.809 -29.918) 33.338 39.118 ( -3.708 6.519 -32.363) 33.221 ======================= Grid point 177 (35/81) ======================= q-point: (-0.43 0.14 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -21.951 11.046 31.582) 40.016 3.509 ( -22.737 -12.813 23.214) 34.929 4.095 ( -0.254 1.379 19.769) 19.818 4.519 ( 7.937 10.467 26.505) 29.582 4.812 ( 7.219 -13.728 21.008) 26.113 5.152 ( -2.972 0.106 23.972) 24.156 5.473 ( 5.374 -6.920 10.230) 13.469 5.769 ( -8.228 2.782 2.390) 9.008 5.904 ( -8.575 -0.194 18.192) 20.113 6.051 ( -1.594 2.664 13.628) 13.977 6.181 ( -19.836 -5.060 6.163) 21.379 6.572 ( -5.102 2.493 14.127) 15.225 6.746 ( -3.757 4.397 9.056) 10.746 6.971 ( -9.214 0.150 5.657) 10.813 7.093 ( 0.231 -10.366 13.038) 16.659 7.338 ( -5.945 -3.106 30.136) 30.874 7.701 ( -0.082 -0.466 14.380) 14.388 7.916 ( 11.408 3.104 39.747) 41.468 8.459 ( 23.909 1.427 3.050) 24.145 8.674 ( 5.868 10.545 15.537) 19.673 8.907 ( 4.934 3.360 15.085) 16.223 9.060 ( 4.479 2.928 14.836) 15.771 9.319 ( -1.944 -0.961 20.637) 20.751 9.441 ( 2.728 8.160 17.536) 19.534 9.539 ( 2.084 3.170 22.769) 23.083 9.598 ( 5.638 6.410 23.175) 24.697 9.758 ( 15.444 -18.306 -0.742) 23.962 10.255 ( 7.225 -8.004 -8.356) 13.641 10.299 ( -1.946 2.967 -6.833) 7.699 10.782 ( 4.009 -0.319 -5.846) 7.096 11.130 ( -8.099 3.505 -8.748) 12.426 11.275 ( -7.055 -5.420 -9.531) 13.038 11.452 ( 2.810 2.794 -9.936) 10.697 11.761 ( -0.542 -1.758 -11.005) 11.158 12.106 ( 1.759 0.551 -7.832) 8.046 12.327 ( -1.869 -0.405 2.009) 2.774 12.437 ( -0.518 3.423 10.034) 10.615 12.631 ( 5.984 4.284 -13.750) 15.596 12.766 ( 1.583 -8.648 6.615) 11.003 12.886 ( -3.223 2.122 3.124) 4.965 12.929 ( 0.215 0.824 12.044) 12.074 13.659 ( 0.015 0.001 7.052) 7.052 14.103 ( -3.864 1.543 -2.869) 5.054 14.332 ( 2.084 4.544 -2.305) 5.505 14.531 ( -4.380 -5.510 -4.897) 8.574 14.936 ( -1.604 0.368 -3.841) 4.178 15.590 ( -11.997 -2.481 -12.609) 17.581 15.956 ( 3.024 0.140 -12.488) 12.849 18.413 ( 3.476 -1.977 -4.134) 5.752 18.551 ( -5.218 0.673 -6.235) 8.158 18.736 ( 2.842 3.408 -7.156) 8.421 19.004 ( -1.238 -1.822 -12.092) 12.291 21.754 ( -3.290 -0.535 18.063) 18.368 22.068 ( 10.496 1.613 16.095) 19.283 27.643 ( -0.787 -0.111 -4.974) 5.037 27.730 ( 2.759 0.340 -3.932) 4.816 36.822 ( -3.017 0.779 -6.842) 7.518 37.768 ( -19.440 -2.789 -24.283) 31.231 38.669 ( 13.359 -3.532 -27.824) 31.067 39.092 ( -4.847 3.471 -30.994) 31.562 ======================= Grid point 182 (36/81) ======================= q-point: ( 0.29 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 12.596 7.074 25.021) 28.892 3.685 ( -0.349 15.494 24.605) 29.079 4.159 ( 2.875 5.030 13.575) 14.760 4.518 ( 5.176 -10.305 26.480) 28.882 4.553 ( -11.046 -0.491 26.883) 29.068 5.144 ( -1.162 -1.494 17.316) 17.419 5.307 ( -3.903 -8.858 14.595) 17.513 5.884 ( 2.587 2.580 5.068) 6.248 5.927 ( -1.817 -0.372 9.406) 9.587 6.216 ( 5.345 7.546 25.047) 26.699 6.423 ( 4.968 14.236 -1.653) 15.168 6.645 ( 1.193 -0.726 4.178) 4.405 6.804 ( 6.327 -4.887 5.810) 9.883 6.958 ( -10.925 7.114 15.426) 20.197 7.198 ( 0.498 -8.979 17.326) 19.521 7.386 ( 12.518 8.635 31.754) 35.208 7.581 ( -8.458 1.380 24.667) 26.114 7.739 ( -5.141 -13.502 30.846) 34.062 8.410 ( 5.521 12.376 2.906) 13.860 8.696 ( 4.113 -5.139 10.857) 12.696 8.830 ( -7.733 -4.377 13.274) 15.974 9.091 ( 6.134 4.789 17.086) 18.775 9.285 ( -12.194 0.547 14.159) 18.694 9.391 ( -4.665 -1.291 21.628) 22.163 9.449 ( 0.277 -6.035 21.223) 22.066 9.460 ( 0.706 -17.058 17.184) 24.223 9.592 ( 0.459 1.320 22.807) 22.850 10.044 ( -3.969 -4.073 -10.715) 12.130 10.463 ( 5.408 8.469 -10.578) 14.590 10.678 ( -4.064 -6.933 -9.797) 12.671 11.261 ( 3.514 3.069 -9.619) 10.691 11.337 ( -0.504 6.958 -9.998) 12.191 11.420 ( 0.099 -4.705 -8.396) 9.625 11.712 ( -1.746 -3.212 -8.712) 9.447 12.143 ( 2.257 4.850 -10.990) 12.223 12.280 ( -2.862 -6.421 -9.198) 11.577 12.506 ( 2.276 3.829 8.973) 10.018 12.628 ( 2.260 0.494 -1.504) 2.759 12.679 ( -3.807 -0.104 7.997) 8.857 12.897 ( -1.539 1.511 8.606) 8.872 12.932 ( 1.295 -4.037 10.573) 11.392 13.665 ( 0.212 0.314 7.363) 7.373 14.224 ( 5.256 5.572 -3.066) 8.251 14.305 ( -3.453 -0.115 -2.506) 4.268 14.534 ( 0.149 -2.180 -7.508) 7.820 14.961 ( 0.492 0.590 -2.703) 2.810 15.743 ( 3.819 7.493 -13.405) 15.825 15.885 ( -2.608 -4.897 -12.851) 13.997 18.344 ( -1.381 -2.505 -2.929) 4.094 18.648 ( 2.589 5.047 -8.042) 9.841 18.721 ( -0.731 -1.903 -8.046) 8.300 18.997 ( -0.322 -0.414 -11.706) 11.718 21.815 ( 2.252 3.895 17.977) 18.531 21.929 ( -3.526 -6.101 17.473) 18.840 27.659 ( 0.618 1.075 -4.722) 4.882 27.692 ( -1.004 -1.743 -4.311) 4.757 36.871 ( 0.931 1.585 -7.211) 7.442 38.049 ( 8.054 14.125 -24.434) 29.350 38.396 ( -8.246 -14.461 -26.022) 30.891 39.185 ( 1.727 3.021 -34.418) 34.594 ======================= Grid point 220 (37/81) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 0.000 0.000 44.392) 44.392 3.251 ( 0.000 0.000 44.392) 44.392 4.762 ( -0.000 0.000 11.154) 11.154 4.943 ( 0.000 0.000 13.357) 13.357 4.943 ( 0.000 0.000 13.357) 13.357 5.407 ( 0.000 0.000 2.003) 2.003 5.538 ( 0.000 -0.000 9.088) 9.088 5.690 ( 0.000 -0.000 33.117) 33.117 5.959 ( -0.000 0.000 4.415) 4.415 5.959 ( 0.000 0.000 4.415) 4.415 6.351 ( 0.000 0.000 28.350) 28.350 6.770 ( -0.000 0.000 4.981) 4.981 6.770 ( -0.000 0.000 4.981) 4.981 7.241 ( -0.000 0.000 9.772) 9.772 7.241 ( 0.000 0.000 9.772) 9.772 7.550 ( 0.000 0.000 26.558) 26.558 7.550 ( -0.000 0.000 26.558) 26.558 9.010 ( 0.000 0.000 21.020) 21.020 9.380 ( -0.000 0.000 -1.270) 1.270 9.380 ( -0.000 0.000 -1.270) 1.270 9.387 ( 0.000 0.000 38.138) 38.138 9.670 ( -0.000 0.000 4.879) 4.879 9.670 ( -0.000 0.000 4.879) 4.879 9.678 ( 0.000 0.000 23.222) 23.222 10.296 ( -0.000 0.000 2.509) 2.509 10.468 ( 0.000 0.000 6.450) 6.450 10.468 ( 0.000 0.000 6.450) 6.450 10.497 ( 0.000 0.000 17.874) 17.874 10.497 ( 0.000 0.000 17.874) 17.874 10.656 ( -0.000 0.000 -3.944) 3.944 10.656 ( -0.000 0.000 -3.944) 3.944 10.808 ( -0.000 0.000 -8.158) 8.158 11.155 ( 0.000 0.000 -1.349) 1.349 11.155 ( 0.000 0.000 -1.349) 1.349 12.064 ( -0.000 0.000 -4.248) 4.248 12.429 ( -0.000 0.000 -19.233) 19.233 12.460 ( 0.000 0.000 -36.568) 36.568 12.672 ( 0.000 0.000 11.231) 11.231 12.672 ( 0.000 0.000 11.231) 11.231 12.943 ( 0.000 0.000 7.984) 7.984 12.943 ( 0.000 0.000 7.984) 7.984 13.677 ( 0.000 0.000 -8.540) 8.540 14.201 ( -0.000 0.000 5.776) 5.776 14.201 ( -0.000 0.000 5.776) 5.776 14.396 ( 0.000 0.000 -5.627) 5.627 14.768 ( -0.000 0.000 -5.659) 5.659 14.768 ( -0.000 0.000 -5.659) 5.659 15.919 ( 0.000 0.000 -4.093) 4.093 18.397 ( 0.000 0.000 -3.604) 3.604 18.397 ( 0.000 0.000 -3.604) 3.604 18.684 ( 0.000 -0.000 -10.319) 10.319 18.684 ( -0.000 0.000 -10.319) 10.319 22.041 ( 0.000 0.000 17.764) 17.764 22.659 ( 0.000 -0.000 3.197) 3.197 27.538 ( 0.000 -0.000 -3.436) 3.436 27.790 ( 0.000 0.000 -3.725) 3.725 36.599 ( 0.000 0.000 -5.343) 5.343 36.599 ( 0.000 0.000 -5.343) 5.343 38.462 ( -0.000 -0.000 -27.903) 27.903 38.462 ( 0.000 0.000 -27.903) 27.903 ======================= Grid point 221 (38/81) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 9.983 5.932 42.537) 44.093 3.415 ( 14.104 7.971 39.436) 42.634 4.617 ( -6.818 -4.050 16.201) 18.038 4.956 ( 0.733 1.011 12.788) 12.849 5.191 ( 15.913 8.146 9.030) 20.028 5.384 ( -3.022 -1.025 3.816) 4.975 5.541 ( 0.034 0.042 9.591) 9.592 5.686 ( 0.813 0.533 20.577) 20.600 5.951 ( 0.780 -1.183 6.349) 6.505 6.040 ( 6.039 4.943 8.485) 11.528 6.405 ( 5.577 3.245 35.275) 35.860 6.711 ( -3.887 -3.952 3.262) 6.432 6.781 ( 0.411 2.370 3.607) 4.335 7.257 ( 1.406 0.953 12.991) 13.102 7.287 ( 2.709 0.163 12.885) 13.168 7.577 ( 3.224 3.483 22.967) 23.452 7.674 ( 10.859 5.399 24.280) 27.140 9.011 ( -0.718 -0.440 15.551) 15.574 9.193 ( -11.859 -6.817 20.358) 24.527 9.333 ( -6.673 -7.098 1.488) 9.855 9.378 ( -7.646 -0.971 12.236) 14.461 9.496 ( -2.454 -0.320 12.421) 12.665 9.675 ( 0.085 -0.955 5.424) 5.508 9.822 ( -1.513 -1.328 14.691) 14.829 10.056 ( -17.916 -3.246 7.377) 19.646 10.099 ( -12.604 -18.613 10.118) 24.651 10.317 ( -9.051 0.417 10.865) 14.147 10.470 ( -3.452 -2.769 17.770) 18.312 10.504 ( -1.719 2.222 13.524) 13.813 10.740 ( 7.639 -5.581 -6.349) 11.394 10.838 ( 2.043 8.625 -3.103) 9.391 10.914 ( 6.895 2.742 -0.376) 7.429 11.200 ( 3.826 2.660 -3.059) 5.574 11.290 ( 10.561 5.776 -6.659) 13.756 12.055 ( -1.496 -0.827 -6.679) 6.894 12.336 ( -5.731 -3.400 -11.979) 13.708 12.369 ( -7.572 -4.513 -35.432) 36.512 12.663 ( -0.834 0.372 11.120) 11.158 12.735 ( 5.563 2.279 7.683) 9.756 12.971 ( 1.667 1.792 8.273) 8.627 13.001 ( 4.340 1.891 7.679) 9.021 13.676 ( 0.814 0.523 -4.917) 5.012 14.168 ( -3.205 -0.749 4.282) 5.401 14.261 ( 4.039 0.510 1.677) 4.403 14.371 ( -0.313 0.415 -3.158) 3.201 14.791 ( 1.621 1.416 -5.041) 5.481 14.924 ( 12.194 6.658 -7.621) 15.846 15.875 ( -3.697 -2.125 -5.826) 7.219 18.390 ( -0.717 -0.108 -3.789) 3.857 18.394 ( -0.078 -0.359 -3.697) 3.716 18.667 ( -1.610 -0.868 -9.516) 9.690 18.705 ( 1.783 0.977 -10.500) 10.695 22.050 ( 0.829 0.479 17.633) 17.659 22.594 ( -5.603 -3.235 5.418) 8.439 27.540 ( 0.246 0.142 -3.389) 3.401 27.763 ( -2.364 -1.365 -3.392) 4.354 36.615 ( 1.400 0.814 -5.515) 5.748 36.754 ( 13.332 7.691 -9.148) 17.905 38.409 ( -4.764 -2.739 -27.770) 28.309 38.459 ( -0.296 -0.181 -28.064) 28.066 ======================= Grid point 222 (39/81) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 12.034 7.627 38.993) 41.515 3.777 ( 17.819 9.611 29.191) 35.524 4.512 ( -2.829 -2.324 19.837) 20.172 4.966 ( -2.141 1.604 13.320) 13.586 5.252 ( -4.002 -7.367 6.485) 10.599 5.497 ( 1.534 4.173 18.051) 18.590 5.566 ( 7.997 6.727 -0.897) 10.489 5.755 ( 4.380 3.525 8.857) 10.490 5.990 ( 7.875 -6.885 9.279) 13.983 6.190 ( 3.445 9.709 5.149) 11.518 6.576 ( 1.028 4.559 20.423) 20.951 6.642 ( 6.614 -1.932 20.036) 21.188 6.879 ( 8.488 11.486 8.252) 16.495 7.238 ( -4.577 -3.495 20.451) 21.247 7.324 ( 5.683 -2.435 11.589) 13.135 7.760 ( 10.894 7.721 17.857) 22.297 7.941 ( 12.752 7.711 24.306) 28.511 8.822 ( -16.808 -13.094 2.587) 21.462 8.912 ( -20.065 -5.848 13.818) 25.055 9.088 ( -12.037 -9.165 25.388) 29.554 9.179 ( -9.585 -1.230 3.747) 10.365 9.437 ( -8.807 -13.151 17.094) 23.297 9.577 ( -2.107 -0.522 5.768) 6.163 9.601 ( -4.916 -2.085 7.166) 8.937 9.890 ( 0.583 -1.415 9.324) 9.449 10.020 ( -2.365 3.909 12.279) 13.102 10.163 ( -6.782 -4.558 17.818) 19.603 10.354 ( -6.139 -3.432 18.758) 20.033 10.489 ( -2.113 1.487 8.605) 8.985 10.813 ( 6.825 -4.165 -6.741) 10.458 10.858 ( -2.099 2.388 5.420) 6.284 11.052 ( 5.312 3.256 -3.262) 7.032 11.284 ( 1.767 2.649 -5.470) 6.330 11.486 ( 7.244 3.902 -9.140) 12.298 11.951 ( -7.867 -3.785 -12.940) 15.610 12.162 ( -9.867 -6.958 -31.343) 33.589 12.322 ( 5.114 1.920 -3.081) 6.271 12.653 ( -2.082 1.385 10.350) 10.647 12.877 ( 9.407 1.254 8.087) 12.468 13.019 ( 1.092 3.919 6.862) 7.978 13.079 ( 3.180 0.992 7.832) 8.511 13.722 ( 2.553 2.154 0.083) 3.341 14.094 ( -5.048 0.008 1.165) 5.181 14.254 ( -0.187 -5.242 -1.706) 5.516 14.455 ( 5.009 4.233 -1.883) 6.823 14.830 ( 0.762 2.093 -4.487) 5.010 15.192 ( 11.846 5.509 -10.340) 16.661 15.788 ( -3.730 -1.952 -9.090) 10.018 18.378 ( -1.052 1.000 -4.429) 4.660 18.392 ( 0.838 -1.257 -3.945) 4.224 18.619 ( -2.853 -1.324 -7.590) 8.216 18.750 ( 2.287 1.146 -11.001) 11.294 22.078 ( 1.811 1.047 17.211) 17.338 22.448 ( -7.165 -4.138 9.792) 12.819 27.549 ( 0.605 0.349 -3.254) 3.328 27.702 ( -2.922 -1.687 -2.939) 4.475 36.652 ( 1.768 1.045 -5.900) 6.247 37.105 ( 17.429 10.024 -15.873) 25.616 38.267 ( -8.042 -4.582 -27.808) 29.308 38.451 ( -0.376 -0.263 -28.434) 28.438 ======================= Grid point 223 (40/81) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 5.327 3.480 36.993) 37.536 4.089 ( 9.423 5.273 19.949) 22.684 4.468 ( -0.752 -1.435 20.924) 20.987 4.896 ( -4.765 -0.949 19.664) 20.256 5.170 ( -0.459 -1.963 4.628) 5.048 5.480 ( -1.074 -0.484 14.805) 14.852 5.757 ( 3.909 4.752 0.572) 6.179 5.859 ( 1.883 8.027 8.159) 11.600 5.992 ( 2.210 -11.676 9.119) 14.979 6.334 ( 4.914 2.234 6.788) 8.673 6.614 ( 1.162 8.930 0.235) 9.009 6.720 ( 0.893 -1.157 16.433) 16.498 7.116 ( -4.593 -0.763 21.580) 22.076 7.315 ( 13.547 8.484 11.420) 19.645 7.420 ( 16.793 6.494 22.762) 29.022 7.897 ( -2.978 -11.976 20.895) 24.267 8.179 ( 1.635 11.466 26.545) 28.962 8.429 ( -12.211 -7.089 4.471) 14.811 8.503 ( -9.076 -3.420 20.797) 22.947 8.743 ( -14.826 -12.185 21.670) 28.946 9.116 ( -1.085 2.845 10.334) 10.773 9.255 ( -2.266 -7.587 7.098) 10.634 9.539 ( 0.601 0.302 4.327) 4.379 9.615 ( -0.999 3.262 4.867) 5.943 9.897 ( -3.046 -0.967 2.322) 3.950 9.966 ( 0.041 -0.552 13.173) 13.185 10.103 ( 1.518 -1.327 27.869) 27.942 10.235 ( -4.870 -1.579 20.197) 20.836 10.471 ( -0.992 0.508 5.958) 6.061 10.840 ( -1.252 1.649 4.129) 4.619 10.882 ( 3.597 -2.044 -3.137) 5.192 11.141 ( 2.588 1.387 -6.753) 7.364 11.295 ( -1.107 0.330 -4.231) 4.386 11.604 ( 3.116 2.100 -7.124) 8.055 11.826 ( -2.486 -0.284 -15.575) 15.775 11.956 ( -6.756 -5.535 -27.652) 28.999 12.465 ( 8.003 2.547 1.834) 8.596 12.597 ( -5.597 -0.638 7.255) 9.185 13.034 ( 8.600 -1.366 10.004) 13.263 13.067 ( 0.059 3.154 4.943) 5.864 13.110 ( -1.498 1.597 8.779) 9.048 13.772 ( 1.074 1.314 2.787) 3.263 14.026 ( -2.550 -0.145 -1.066) 2.768 14.199 ( -0.939 -2.830 -1.635) 3.401 14.551 ( 2.615 1.661 -4.013) 5.069 14.849 ( -0.154 1.002 -4.560) 4.672 15.365 ( 4.656 1.614 -12.906) 13.815 15.736 ( -1.238 -0.358 -10.108) 10.190 18.375 ( -0.602 1.010 -5.354) 5.481 18.398 ( 1.072 -0.974 -4.230) 4.471 18.565 ( -1.870 -0.721 -5.687) 6.030 18.788 ( 1.045 0.497 -11.479) 11.537 22.124 ( 1.961 1.134 16.505) 16.660 22.317 ( -4.156 -2.402 13.041) 13.897 27.565 ( 0.666 0.384 -3.089) 3.183 27.649 ( -1.607 -0.928 -2.815) 3.371 36.682 ( 0.796 0.477 -6.206) 6.275 37.425 ( 9.998 5.720 -19.037) 22.250 38.097 ( -6.221 -3.523 -28.838) 29.711 38.444 ( -0.170 -0.132 -28.740) 28.741 ======================= Grid point 228 (41/81) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 10.726 16.079 38.854) 43.396 3.644 ( 7.817 16.059 32.976) 37.503 4.537 ( -2.532 -3.474 18.699) 19.187 4.963 ( 1.844 -0.893 12.352) 12.521 5.252 ( -7.368 -4.872 9.115) 12.693 5.494 ( 12.241 12.830 6.500) 18.887 5.537 ( -0.666 -0.718 9.507) 9.558 5.732 ( 3.108 4.358 11.892) 13.042 5.934 ( -5.328 2.683 6.771) 9.024 6.168 ( 7.561 5.170 6.030) 10.966 6.538 ( 6.413 8.869 38.745) 40.262 6.686 ( -5.297 5.387 4.228) 8.657 6.780 ( 8.326 -2.805 4.417) 9.834 7.267 ( -0.113 0.285 16.472) 16.475 7.324 ( -2.975 3.730 16.757) 17.423 7.660 ( 6.507 6.409 18.241) 20.400 7.884 ( 8.022 14.697 22.885) 28.356 8.900 ( -9.678 -14.304 -0.301) 17.273 9.005 ( -6.502 -13.872 27.760) 31.707 9.189 ( -7.881 -9.162 7.650) 14.303 9.251 ( -0.913 -14.719 10.750) 18.250 9.399 ( -6.361 -3.436 10.181) 12.487 9.592 ( -1.088 -2.965 10.420) 10.888 9.816 ( -12.951 0.576 6.933) 14.702 9.855 ( 3.837 -3.512 16.077) 16.898 10.030 ( -2.176 -11.796 9.415) 15.248 10.195 ( 2.703 -4.398 12.748) 13.754 10.337 ( -9.020 -8.857 12.138) 17.525 10.443 ( 0.620 -4.554 17.974) 18.553 10.775 ( -4.115 1.267 -1.155) 4.458 10.958 ( 0.638 6.867 -2.928) 7.493 10.966 ( 6.041 2.830 -0.923) 6.734 11.280 ( 3.685 3.833 -4.813) 7.172 11.432 ( 3.851 7.576 -8.936) 12.332 11.989 ( -3.655 -7.156 -12.193) 14.603 12.229 ( -6.366 -9.371 -32.718) 34.624 12.301 ( 0.931 2.658 -4.454) 5.270 12.679 ( 3.189 0.304 10.638) 11.110 12.812 ( 0.064 6.835 7.748) 10.333 12.992 ( 1.997 0.254 7.668) 7.928 13.076 ( 2.457 4.886 7.398) 9.200 13.706 ( 1.942 2.577 -0.952) 3.364 14.116 ( 0.141 -3.944 2.219) 4.528 14.316 ( -7.327 4.364 -2.228) 8.815 14.371 ( 6.642 -0.287 -1.520) 6.820 14.832 ( 2.600 2.047 -3.954) 5.156 15.122 ( 6.331 12.928 -9.755) 17.389 15.808 ( -2.465 -4.470 -8.366) 9.800 18.370 ( -0.669 -1.849 -3.959) 4.421 18.401 ( 0.234 1.233 -4.042) 4.232 18.640 ( -0.938 -2.077 -8.387) 8.691 18.733 ( 0.945 1.935 -10.710) 10.924 22.069 ( 0.893 1.546 17.356) 17.448 22.489 ( -4.189 -7.254 8.634) 12.030 27.546 ( 0.294 0.510 -3.296) 3.348 27.719 ( -1.736 -3.006 -3.029) 4.607 36.646 ( 1.312 2.238 -5.851) 6.401 37.001 ( 9.896 17.189 -14.217) 24.403 38.302 ( -4.805 -8.393 -27.236) 28.902 38.462 ( 0.247 0.483 -28.791) 28.796 ======================= Grid point 229 (42/81) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( 3.093 16.841 32.357) 36.608 3.979 ( 14.260 12.296 27.591) 33.403 4.471 ( -2.283 -2.297 18.888) 19.163 4.984 ( -0.998 -0.044 15.268) 15.301 5.077 ( -2.761 -8.967 10.565) 14.130 5.497 ( -1.619 -2.247 13.635) 13.914 5.768 ( 9.944 -1.025 9.485) 13.780 5.845 ( 1.194 6.380 2.275) 6.877 5.893 ( -0.676 8.376 7.421) 11.211 6.284 ( 3.084 0.689 6.206) 6.964 6.624 ( 2.553 1.080 3.872) 4.762 6.727 ( 0.893 2.297 11.179) 11.448 7.051 ( 13.023 3.419 21.181) 25.098 7.286 ( -2.804 7.494 18.604) 20.252 7.321 ( 6.938 10.821 22.973) 26.324 7.822 ( 4.530 3.391 17.008) 17.924 8.148 ( 8.138 5.556 25.401) 27.245 8.531 ( -11.605 -14.225 4.057) 18.802 8.666 ( -13.705 -15.470 24.673) 32.185 8.940 ( -15.597 -5.913 7.017) 18.096 9.150 ( -3.179 -2.558 15.767) 16.287 9.292 ( -3.634 2.864 6.729) 8.166 9.588 ( -8.201 -1.670 8.592) 11.995 9.656 ( 2.349 3.821 13.113) 13.859 9.844 ( -0.479 -3.229 4.941) 5.922 9.996 ( 4.444 -11.319 16.517) 20.510 10.034 ( -7.629 -7.036 7.065) 12.555 10.236 ( 4.407 -8.909 17.582) 20.197 10.400 ( -3.521 -0.819 16.318) 16.714 10.750 ( 3.899 -6.156 2.540) 7.717 10.973 ( -4.094 8.747 -4.177) 10.523 11.106 ( 5.233 3.056 -2.727) 6.645 11.323 ( -1.142 0.051 -5.800) 5.912 11.548 ( 4.748 2.173 -7.954) 9.515 11.855 ( -3.415 -5.294 -14.445) 15.759 12.022 ( -8.161 -7.248 -28.867) 30.862 12.410 ( 4.847 7.974 0.016) 9.332 12.713 ( -4.377 3.803 9.248) 10.915 12.874 ( 6.520 -1.752 8.031) 10.492 13.033 ( 2.296 0.377 6.749) 7.139 13.157 ( 1.685 3.578 7.755) 8.705 13.767 ( 1.850 2.104 3.335) 4.356 14.099 ( -1.107 1.002 -0.364) 1.537 14.226 ( -6.092 2.067 -2.370) 6.855 14.461 ( 5.990 -3.099 -4.846) 8.305 14.883 ( 0.394 2.618 -2.894) 3.922 15.322 ( 5.285 8.337 -12.078) 15.598 15.734 ( -1.420 -4.009 -10.499) 11.328 18.337 ( -0.047 -3.295 -3.748) 4.990 18.429 ( 0.360 3.521 -5.099) 6.207 18.598 ( -2.277 -1.097 -7.021) 7.462 18.766 ( 1.527 0.483 -10.991) 11.107 22.108 ( 1.782 2.191 16.757) 16.993 22.351 ( -4.541 -5.707 12.221) 14.232 27.560 ( 0.625 0.825 -3.132) 3.299 27.662 ( -1.806 -2.387 -2.818) 4.111 36.687 ( 0.746 2.462 -6.307) 6.811 37.333 ( 11.445 13.493 -18.776) 25.799 38.117 ( -6.022 -11.042 -26.619) 29.441 38.472 ( -0.632 2.172 -30.048) 30.133 ======================= Grid point 230 (43/81) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( -7.247 11.595 33.593) 36.269 4.177 ( -2.185 3.447 18.705) 19.145 4.452 ( 2.320 -0.752 19.385) 19.538 4.899 ( -4.035 1.226 20.249) 20.683 5.068 ( 6.224 -6.046 9.732) 13.039 5.471 ( 0.994 -1.319 13.428) 13.529 5.761 ( 1.957 -11.414 14.123) 18.264 5.865 ( -5.560 6.486 0.361) 8.550 6.055 ( 4.515 8.930 6.639) 12.009 6.360 ( 2.949 2.699 3.939) 5.613 6.572 ( -5.554 -8.577 2.068) 10.426 6.729 ( 0.526 -3.139 5.611) 6.451 7.081 ( -0.802 -1.213 21.646) 21.695 7.347 ( 3.017 3.368 16.337) 16.951 7.734 ( -19.319 -1.749 23.388) 30.385 7.798 ( 18.989 14.638 26.809) 35.967 8.088 ( 1.230 -8.037 17.028) 18.870 8.362 ( -4.482 -4.644 17.785) 18.920 8.551 ( -3.319 2.866 20.837) 21.294 8.700 ( -0.517 10.297 13.873) 17.285 9.096 ( -0.649 -1.334 10.535) 10.639 9.328 ( -0.402 8.534 6.962) 11.021 9.504 ( 0.159 -1.845 4.843) 5.185 9.656 ( -5.397 -0.301 2.720) 6.051 9.817 ( 3.355 -4.909 9.047) 10.826 9.925 ( 4.277 -3.222 14.930) 15.862 10.028 ( 8.122 -12.176 15.624) 21.409 10.236 ( 3.425 -3.642 17.377) 18.081 10.327 ( -4.039 0.631 13.555) 14.158 10.764 ( 5.806 -8.779 6.516) 12.378 10.995 ( -3.732 8.711 -6.622) 11.561 11.178 ( -0.874 1.683 -6.618) 6.884 11.285 ( -0.422 -0.968 -3.211) 3.380 11.595 ( 1.052 -2.637 -4.918) 5.678 11.810 ( -0.878 -1.151 -18.948) 19.004 11.906 ( 2.166 -0.086 -24.563) 24.659 12.562 ( 3.261 7.924 3.628) 9.305 12.609 ( -9.508 1.033 4.512) 10.574 12.949 ( 5.815 -7.135 7.429) 11.828 13.084 ( 2.757 2.400 7.631) 8.462 13.155 ( -4.138 -0.891 9.924) 10.789 13.788 ( -0.854 0.478 4.374) 4.482 14.079 ( -5.251 5.689 -2.881) 8.261 14.205 ( 1.498 2.851 -1.630) 3.610 14.496 ( 3.504 -6.889 -5.789) 9.656 14.888 ( -2.429 2.446 -3.013) 4.578 15.423 ( -1.206 4.458 -13.305) 14.084 15.695 ( 1.682 -3.971 -10.670) 11.509 18.318 ( 1.624 -3.152 -3.485) 4.972 18.462 ( -1.670 3.909 -6.171) 7.493 18.561 ( -0.613 0.129 -6.012) 6.044 18.783 ( 0.615 -0.843 -11.148) 11.197 22.147 ( -0.685 1.181 16.138) 16.196 22.272 ( 1.189 -2.053 13.963) 14.163 27.574 ( -0.311 0.540 -3.015) 3.079 27.631 ( 0.564 -0.977 -2.818) 3.035 36.706 ( -1.034 1.757 -6.502) 6.814 37.528 ( -2.813 5.012 -19.834) 20.650 37.978 ( 4.393 -7.764 -26.831) 28.276 38.478 ( -1.574 2.774 -30.702) 30.868 ======================= Grid point 232 (44/81) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -16.353 5.136 34.326) 38.368 3.992 ( -17.146 -5.425 24.972) 30.774 4.488 ( 2.427 -0.024 19.508) 19.659 4.921 ( 2.436 2.095 14.424) 14.778 5.140 ( 8.289 -3.317 11.713) 14.728 5.501 ( 2.476 0.517 13.113) 13.355 5.671 ( -5.589 -1.799 8.251) 10.127 5.812 ( -5.447 2.008 5.272) 7.842 6.128 ( -4.195 -12.779 4.166) 14.080 6.204 ( -8.544 4.981 8.216) 12.858 6.568 ( 1.820 4.349 6.578) 8.093 6.713 ( 1.158 -0.590 3.709) 3.930 7.000 ( -14.258 -5.943 27.500) 31.541 7.275 ( -7.346 3.907 23.753) 25.168 7.423 ( -8.210 -3.372 15.523) 17.881 7.874 ( -11.710 -9.126 19.183) 24.256 8.083 ( -2.388 2.714 22.459) 22.748 8.544 ( 18.015 1.113 7.620) 19.592 8.623 ( 18.859 8.528 16.842) 26.685 8.965 ( 12.425 6.942 15.197) 20.821 9.132 ( 1.477 4.992 13.967) 14.905 9.366 ( 2.852 -2.061 13.713) 14.157 9.546 ( 1.947 1.193 1.913) 2.979 9.670 ( 2.860 15.950 5.337) 17.060 9.824 ( 5.452 -8.442 6.168) 11.792 9.923 ( 0.503 -5.288 12.013) 13.135 10.120 ( 8.973 -0.559 25.563) 27.098 10.246 ( 7.350 -12.562 7.774) 16.500 10.345 ( 1.562 7.186 16.283) 17.867 10.772 ( 4.113 -6.323 5.491) 9.330 10.997 ( -5.336 7.249 -3.961) 9.834 11.100 ( -5.457 -3.970 -6.407) 9.306 11.305 ( -0.019 1.982 -3.857) 4.337 11.545 ( -3.751 -2.746 -8.215) 9.439 11.843 ( 6.403 1.213 -16.040) 17.313 12.042 ( 10.182 2.086 -26.450) 28.418 12.433 ( -10.071 -1.699 -1.447) 10.315 12.661 ( -0.328 6.102 8.752) 10.674 12.934 ( 0.616 -7.761 7.531) 10.832 13.036 ( -6.453 -1.489 8.982) 11.160 13.128 ( -1.216 2.111 7.557) 7.940 13.757 ( -2.911 0.115 2.488) 3.831 14.066 ( -0.756 3.182 -0.517) 3.311 14.291 ( 2.637 5.302 -1.794) 6.188 14.440 ( -1.085 -8.216 -4.417) 9.390 14.864 ( -2.926 2.035 -3.502) 4.997 15.343 ( -9.881 -1.442 -11.712) 15.391 15.727 ( 4.470 -0.451 -10.623) 11.534 18.333 ( 2.652 -1.229 -3.681) 4.700 18.437 ( -3.137 0.856 -5.155) 6.095 18.592 ( 2.191 1.746 -7.014) 7.552 18.768 ( -1.148 -1.172 -10.989) 11.111 22.108 ( -2.787 -0.447 16.758) 16.994 22.351 ( 7.212 1.078 12.220) 14.230 27.560 ( -1.027 -0.129 -3.133) 3.300 27.662 ( 2.970 0.371 -2.819) 4.111 36.687 ( -2.509 0.603 -6.296) 6.804 37.333 ( -17.429 -3.212 -18.806) 25.841 38.116 ( 12.587 -0.242 -26.580) 29.411 38.473 ( -1.553 1.600 -30.068) 30.151 ======================= Grid point 237 (45/81) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 6.514 11.046 24.934) 28.038 4.217 ( 5.767 8.518 27.507) 29.367 4.409 ( -3.944 -4.026 13.954) 15.049 4.939 ( 3.957 -1.330 15.825) 16.366 4.999 ( -5.493 -1.894 17.722) 18.650 5.448 ( -1.422 -2.090 13.372) 13.609 5.636 ( -1.763 -5.494 17.898) 18.805 5.964 ( 5.742 5.636 3.810) 8.902 6.084 ( -4.420 1.417 4.475) 6.448 6.358 ( 3.634 11.100 0.387) 11.686 6.597 ( 5.520 -11.018 -1.000) 12.364 6.627 ( -6.500 -1.527 1.582) 6.862 7.079 ( 1.034 0.889 22.691) 22.732 7.393 ( 2.604 9.054 24.787) 26.516 7.654 ( -1.232 1.484 26.773) 26.843 7.909 ( 12.050 4.918 18.962) 22.999 8.049 ( -6.760 5.564 19.559) 21.429 8.369 ( -5.273 -16.363 19.713) 26.156 8.566 ( 4.103 6.748 17.378) 19.088 8.879 ( -0.707 0.953 8.002) 8.089 9.086 ( -4.803 -6.914 12.755) 15.283 9.387 ( 4.084 4.953 10.503) 12.309 9.504 ( -1.570 -3.716 8.933) 9.802 9.708 ( -2.144 -10.721 5.896) 12.422 9.733 ( -5.936 3.092 5.109) 8.420 9.791 ( 1.296 -4.380 7.211) 8.536 9.875 ( -4.377 -5.422 14.642) 16.215 10.200 ( 0.191 0.797 24.752) 24.765 10.434 ( 4.136 3.687 11.046) 12.358 10.618 ( -5.252 -6.774 5.833) 10.368 11.086 ( 0.717 2.378 -6.947) 7.378 11.182 ( 3.202 5.137 -4.919) 7.799 11.285 ( -1.676 -3.501 -4.412) 5.877 11.559 ( -0.015 -0.416 -3.927) 3.949 11.809 ( 1.181 0.979 -19.644) 19.704 11.899 ( -4.116 -5.633 -23.153) 24.181 12.598 ( 4.295 11.047 1.712) 11.976 12.741 ( 5.271 -3.445 7.049) 9.452 12.805 ( -7.200 -3.179 4.308) 8.972 13.091 ( -0.133 4.446 9.957) 10.905 13.154 ( 1.238 -2.848 9.826) 10.305 13.795 ( 0.679 0.846 5.377) 5.486 14.167 ( 5.230 5.759 -2.676) 8.227 14.264 ( -3.842 -0.145 -1.483) 4.121 14.370 ( -1.104 -4.676 -8.185) 9.491 14.919 ( 1.121 1.221 -1.865) 2.495 15.480 ( 3.422 7.479 -12.610) 15.055 15.638 ( -2.755 -5.740 -11.809) 13.416 18.287 ( -0.882 -1.622 -2.666) 3.243 18.501 ( 1.785 3.646 -6.541) 7.698 18.568 ( -0.916 -2.184 -7.129) 7.512 18.770 ( -0.054 0.029 -10.567) 10.567 22.160 ( 1.852 3.204 15.944) 16.368 22.251 ( -2.692 -4.658 14.352) 15.327 27.581 ( 0.765 1.325 -2.972) 3.342 27.619 ( -1.148 -1.989 -2.826) 3.641 36.727 ( 0.770 1.318 -6.753) 6.923 37.586 ( 7.374 12.863 -21.158) 25.836 37.885 ( -7.174 -12.519 -24.171) 28.150 38.509 ( 0.725 1.273 -32.157) 32.190 ======================= Grid point 275 (46/81) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 0.000 -0.000 44.271) 44.271 4.147 ( 0.000 -0.000 44.271) 44.271 4.874 ( 0.000 0.000 1.749) 1.749 5.225 ( 0.000 0.000 14.514) 14.514 5.225 ( 0.000 -0.000 14.514) 14.514 5.346 ( 0.000 0.000 -5.182) 5.182 5.919 ( 0.000 0.000 26.812) 26.812 6.029 ( -0.000 0.000 2.922) 2.922 6.029 ( 0.000 0.000 2.922) 2.922 6.082 ( 0.000 0.000 14.447) 14.447 6.748 ( 0.000 0.000 -3.794) 3.794 6.748 ( 0.000 0.000 -3.794) 3.794 7.284 ( 0.000 -0.000 52.375) 52.375 7.330 ( 0.000 0.000 -1.127) 1.127 7.330 ( -0.000 0.000 -1.127) 1.127 8.064 ( 0.000 0.000 19.079) 19.079 8.064 ( -0.000 -0.000 19.079) 19.079 9.066 ( 0.000 0.000 -12.538) 12.538 9.190 ( -0.000 0.000 -15.107) 15.107 9.190 ( -0.000 0.000 -15.107) 15.107 9.630 ( 0.000 0.000 -7.151) 7.151 9.630 ( -0.000 0.000 -7.151) 7.151 10.100 ( 0.000 0.000 18.180) 18.180 10.113 ( 0.000 -0.000 25.755) 25.755 10.314 ( 0.000 -0.000 -2.361) 2.361 10.654 ( -0.000 0.000 6.848) 6.848 10.654 ( 0.000 0.000 6.848) 6.848 10.688 ( 0.000 0.000 15.350) 15.350 10.688 ( 0.000 0.000 15.350) 15.350 10.863 ( 0.000 0.000 17.269) 17.269 10.983 ( 0.000 -0.000 24.451) 24.451 10.983 ( 0.000 -0.000 24.451) 24.451 11.220 ( 0.000 0.000 6.609) 6.609 11.220 ( 0.000 0.000 6.609) 6.609 11.704 ( -0.000 0.000 -35.001) 35.001 11.957 ( 0.000 0.000 -7.703) 7.703 12.083 ( 0.000 0.000 -12.736) 12.736 12.885 ( -0.000 0.000 9.927) 9.927 12.885 ( -0.000 0.000 9.927) 9.927 13.086 ( -0.000 0.000 6.550) 6.550 13.086 ( 0.000 0.000 6.550) 6.550 13.544 ( 0.000 0.000 -5.444) 5.444 14.284 ( 0.000 0.000 2.106) 2.106 14.284 ( 0.000 0.000 2.106) 2.106 14.320 ( 0.000 0.000 -1.753) 1.753 14.640 ( 0.000 -0.000 -7.024) 7.024 14.640 ( -0.000 0.000 -7.024) 7.024 15.780 ( 0.000 -0.000 -9.883) 9.883 18.326 ( -0.000 0.000 -3.384) 3.384 18.326 ( 0.000 0.000 -3.384) 3.384 18.491 ( -0.000 0.000 -8.614) 8.614 18.491 ( 0.000 0.000 -8.614) 8.614 22.375 ( -0.000 0.000 14.972) 14.972 22.731 ( 0.000 0.000 3.778) 3.778 27.491 ( -0.000 0.000 -1.243) 1.243 27.718 ( 0.000 -0.000 -3.382) 3.382 36.513 ( -0.000 0.000 -2.946) 2.946 36.513 ( -0.000 0.000 -2.946) 2.946 37.912 ( 0.000 0.000 -26.274) 26.274 37.912 ( 0.000 0.000 -26.274) 26.274 ======================= Grid point 276 (47/81) ======================= q-point: ( 0.14 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 6.545 3.470 40.327) 41.001 4.229 ( 6.983 4.345 42.447) 43.237 4.854 ( -0.875 -0.551 6.666) 6.746 5.227 ( -0.352 0.790 14.320) 14.347 5.321 ( 1.719 -2.092 -0.850) 2.838 5.360 ( 7.457 6.431 5.778) 11.418 5.915 ( -3.168 0.915 21.592) 21.843 5.961 ( -0.304 -4.138 10.535) 11.322 6.074 ( 4.376 3.754 6.199) 8.466 6.165 ( 4.506 2.651 9.303) 10.671 6.689 ( -3.964 -3.449 -2.813) 5.960 6.749 ( -0.366 1.082 -3.857) 4.022 7.357 ( 6.389 4.399 31.468) 32.410 7.384 ( 4.982 1.424 2.086) 5.585 7.446 ( 9.371 5.907 17.735) 20.910 8.015 ( -3.771 -2.302 16.326) 16.913 8.145 ( 7.064 4.306 16.930) 18.843 8.933 ( -7.809 -4.428 -15.593) 17.992 9.040 ( -11.555 -6.704 -15.684) 20.602 9.272 ( 1.180 0.018 -8.615) 8.696 9.598 ( -3.214 3.105 -3.420) 5.628 9.639 ( 1.720 -3.275 -6.784) 7.727 10.037 ( -6.571 -5.557 24.190) 25.675 10.088 ( -4.589 -2.383 15.331) 16.179 10.203 ( -6.359 -3.071 5.439) 8.913 10.380 ( -18.171 -7.160 19.078) 27.303 10.574 ( -0.555 -3.448 14.370) 14.788 10.716 ( 1.157 0.795 7.732) 7.858 10.815 ( 3.945 1.726 9.225) 10.181 10.920 ( -3.008 -1.206 18.491) 18.773 10.948 ( -1.480 -0.538 19.828) 19.890 10.996 ( 4.679 3.147 11.900) 13.168 11.259 ( 2.835 1.050 8.246) 8.783 11.309 ( 6.350 3.982 7.495) 10.600 11.638 ( -5.308 -3.079 -33.421) 33.980 11.884 ( -6.299 -3.675 -9.840) 12.248 12.109 ( 3.091 1.774 -8.716) 9.417 12.874 ( -1.237 0.750 9.783) 9.890 12.916 ( 4.078 0.758 9.134) 10.032 13.108 ( 1.012 0.638 5.467) 5.596 13.146 ( 4.184 2.461 6.813) 8.365 13.589 ( 4.163 2.526 -3.843) 6.203 14.222 ( -6.031 -0.776 0.828) 6.137 14.272 ( 0.467 -4.360 -0.358) 4.400 14.335 ( 1.745 2.667 -1.027) 3.348 14.682 ( 2.511 2.394 -5.868) 6.817 14.771 ( 10.469 5.305 -7.636) 14.002 15.716 ( -5.376 -3.093 -10.248) 11.979 18.316 ( -0.847 -0.372 -3.430) 3.553 18.322 ( -0.248 -0.272 -3.403) 3.423 18.488 ( -0.398 -0.154 -8.065) 8.076 18.510 ( 1.577 0.846 -8.650) 8.833 22.380 ( 0.520 0.300 14.794) 14.806 22.698 ( -2.822 -1.629 4.948) 5.925 27.494 ( 0.320 0.185 -1.215) 1.270 27.698 ( -1.782 -1.029 -3.002) 3.640 36.525 ( 1.072 0.622 -3.147) 3.382 36.608 ( 8.394 4.843 -5.261) 11.027 37.865 ( -4.209 -2.426 -25.782) 26.236 37.906 ( -0.454 -0.266 -26.295) 26.300 ======================= Grid point 277 (48/81) ======================= q-point: ( 0.29 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 8.003 2.936 30.959) 32.111 4.416 ( 8.287 6.698 37.749) 39.224 4.854 ( 0.971 -0.058 12.660) 12.697 5.219 ( -2.804 2.757 12.038) 12.664 5.293 ( 0.829 -4.522 1.735) 4.913 5.597 ( 10.472 6.696 4.393) 13.183 5.836 ( -5.805 1.388 13.547) 14.803 5.966 ( 3.893 -3.229 12.781) 13.746 6.214 ( 5.585 -4.611 11.565) 13.646 6.269 ( 5.564 12.723 6.199) 15.207 6.608 ( -0.243 -3.631 1.331) 3.875 6.754 ( -1.899 3.461 -4.795) 6.211 7.467 ( 4.194 -1.077 2.000) 4.770 7.513 ( 2.977 4.355 12.463) 13.534 7.700 ( 13.515 5.639 40.301) 42.879 7.998 ( 6.528 3.656 8.132) 11.050 8.337 ( 7.836 6.634 7.852) 12.926 8.727 ( -9.731 -6.836 -4.340) 12.660 8.814 ( -8.454 -3.930 -13.533) 16.433 9.190 ( -6.841 -1.753 -4.331) 8.285 9.538 ( -4.342 -11.249 -3.807) 12.644 9.621 ( -2.967 -1.100 3.598) 4.792 9.769 ( -13.226 -9.018 12.086) 20.057 9.880 ( -20.729 -4.211 26.257) 33.718 10.050 ( -1.152 -0.679 13.139) 13.206 10.185 ( -5.106 1.241 5.348) 7.498 10.576 ( 5.996 -6.550 17.268) 19.417 10.725 ( -4.340 4.339 11.920) 13.407 10.787 ( -2.671 -3.231 18.636) 19.102 10.853 ( -0.453 -4.098 15.521) 16.059 10.996 ( 1.935 4.250 6.618) 8.100 11.068 ( 0.897 2.582 5.608) 6.239 11.298 ( 1.488 -0.532 6.375) 6.568 11.434 ( 4.241 2.738 2.674) 5.713 11.517 ( -5.230 -3.043 -26.255) 26.943 11.739 ( -5.653 -3.774 -6.463) 9.379 12.235 ( 8.751 4.625 -5.412) 11.281 12.842 ( -5.085 0.718 8.061) 9.558 13.037 ( 9.658 0.152 7.240) 12.072 13.121 ( 0.619 1.227 3.248) 3.527 13.228 ( 2.636 2.220 7.209) 7.990 13.702 ( 4.454 4.206 -1.624) 6.337 14.117 ( -5.299 -0.445 1.096) 5.430 14.230 ( -0.044 -5.440 -0.862) 5.508 14.403 ( 2.866 2.646 -3.346) 5.139 14.734 ( 0.510 2.955 -5.130) 5.942 14.995 ( 9.933 3.788 -9.398) 14.189 15.590 ( -5.246 -2.775 -10.990) 12.490 18.298 ( -0.967 -0.068 -3.451) 3.584 18.317 ( 0.163 -0.529 -3.481) 3.524 18.473 ( -1.134 -0.325 -6.735) 6.837 18.548 ( 1.866 0.883 -8.940) 9.175 22.398 ( 1.156 0.668 14.242) 14.304 22.622 ( -3.905 -2.255 7.576) 8.816 27.505 ( 0.714 0.412 -1.162) 1.424 27.650 ( -2.424 -1.400 -2.247) 3.590 36.553 ( 1.364 0.799 -3.600) 3.932 36.842 ( 12.342 7.107 -10.286) 17.568 37.737 ( -7.432 -4.267 -24.508) 25.963 37.894 ( -0.587 -0.357 -26.343) 26.352 ======================= Grid point 278 (49/81) ======================= q-point: ( 0.43 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( 3.557 0.616 22.571) 22.858 4.576 ( 3.654 4.228 32.724) 33.198 4.867 ( 0.712 -0.707 17.214) 17.243 5.197 ( -1.853 1.431 11.405) 11.642 5.273 ( 0.608 -2.149 7.690) 8.008 5.744 ( 0.975 0.292 9.650) 9.703 5.805 ( 1.584 2.265 7.007) 7.532 6.026 ( 2.929 4.884 8.461) 10.199 6.155 ( -2.744 -8.046 6.272) 10.564 6.521 ( 9.628 5.475 10.464) 15.237 6.619 ( 0.333 2.052 4.804) 5.235 6.751 ( -1.465 2.131 -6.501) 6.996 7.464 ( -1.413 -1.804 10.594) 10.839 7.508 ( -1.456 -2.423 6.883) 7.440 7.933 ( 7.748 3.636 11.301) 14.176 8.312 ( 18.909 7.634 26.191) 33.193 8.364 ( -4.392 -0.750 -9.124) 10.153 8.638 ( -10.761 -2.110 9.705) 14.644 8.728 ( 7.086 6.339 8.030) 12.445 9.092 ( -3.701 -0.485 2.663) 4.585 9.264 ( -7.042 -15.016 12.822) 20.963 9.356 ( -14.969 -9.656 4.086) 18.276 9.593 ( -3.713 0.331 0.479) 3.758 9.682 ( -5.279 2.699 6.453) 8.763 10.075 ( 0.775 1.464 12.419) 12.529 10.143 ( -0.378 -0.591 5.359) 5.405 10.621 ( 7.018 -7.342 16.559) 19.426 10.670 ( -4.463 2.624 20.239) 20.891 10.714 ( -5.375 2.683 21.647) 22.465 10.847 ( 2.110 -2.605 5.795) 6.695 11.046 ( 1.038 1.154 7.221) 7.386 11.078 ( -1.714 1.885 1.718) 3.073 11.320 ( 2.618 -0.872 4.888) 5.613 11.413 ( -4.783 -0.210 -18.070) 18.693 11.503 ( 2.210 0.011 -8.767) 9.041 11.654 ( -1.847 -1.389 4.655) 5.197 12.453 ( 11.246 5.037 -2.670) 12.609 12.703 ( -9.808 -3.010 2.904) 10.663 13.151 ( 0.907 1.797 3.807) 4.306 13.192 ( 7.799 -1.692 5.179) 9.514 13.265 ( -0.773 2.522 7.406) 7.861 13.775 ( 0.538 2.334 -1.704) 2.939 14.053 ( -1.755 -0.788 3.116) 3.662 14.178 ( -0.937 -2.339 -0.325) 2.540 14.459 ( 1.631 0.660 -5.352) 5.633 14.753 ( -0.481 1.357 -5.117) 5.315 15.124 ( 3.371 0.567 -11.105) 11.619 15.525 ( -1.193 -0.273 -11.152) 11.219 18.286 ( -0.430 0.110 -3.487) 3.516 18.317 ( 0.339 -0.324 -3.690) 3.720 18.452 ( -0.820 -0.196 -5.446) 5.511 18.577 ( 0.817 0.360 -9.282) 9.324 22.427 ( 1.241 0.717 13.393) 13.470 22.548 ( -2.423 -1.400 9.944) 10.330 27.523 ( 0.725 0.419 -1.149) 1.422 27.604 ( -1.451 -0.838 -1.701) 2.388 36.577 ( 0.617 0.365 -3.966) 4.030 37.087 ( 8.465 4.862 -14.341) 17.348 37.572 ( -6.382 -3.656 -23.142) 24.283 37.884 ( -0.270 -0.168 -26.382) 26.384 ======================= Grid point 283 (50/81) ======================= q-point: ( 0.14 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 3.604 7.096 33.972) 34.891 4.386 ( 7.044 11.146 38.859) 41.035 4.845 ( -0.516 -0.235 10.719) 10.734 5.212 ( 1.156 -2.656 11.274) 11.640 5.313 ( -2.939 1.015 2.237) 3.830 5.535 ( 7.502 11.386 4.801) 14.456 5.863 ( 2.153 -4.727 13.234) 14.217 5.993 ( -5.982 5.742 15.957) 17.982 6.094 ( 3.442 0.277 8.705) 9.365 6.282 ( 6.133 7.591 8.565) 12.985 6.618 ( -4.946 -2.893 -2.980) 6.459 6.743 ( 2.495 -2.516 -2.245) 4.195 7.446 ( 0.942 4.327 10.936) 11.798 7.500 ( 5.355 7.712 4.331) 10.340 7.631 ( 7.618 15.524 38.985) 42.648 7.960 ( -1.031 -1.749 10.178) 10.378 8.289 ( 6.925 9.716 12.029) 16.943 8.780 ( -6.957 -11.473 -8.209) 15.729 8.862 ( -5.175 -8.755 -17.185) 19.968 9.272 ( -1.509 -5.245 -5.879) 8.022 9.488 ( -5.727 -5.672 1.035) 8.127 9.648 ( -1.307 -1.441 -0.783) 2.097 9.886 ( -8.080 -14.624 6.884) 18.070 9.967 ( -5.035 -1.575 26.031) 26.561 10.160 ( -3.982 -1.418 10.881) 11.673 10.222 ( 10.079 -20.260 16.472) 27.989 10.410 ( -15.564 -1.156 12.445) 19.961 10.757 ( 0.729 -3.998 20.803) 21.197 10.825 ( -1.945 2.343 10.131) 10.579 10.892 ( -3.977 -0.122 17.313) 17.764 10.961 ( 6.488 1.579 6.220) 9.126 11.046 ( 1.526 0.681 8.105) 8.276 11.304 ( 0.459 2.743 7.324) 7.834 11.396 ( 2.516 3.924 2.907) 5.493 11.550 ( -2.840 -4.973 -27.383) 27.975 11.777 ( -4.047 -6.408 -8.522) 11.405 12.188 ( 3.907 7.158 -6.197) 10.242 12.873 ( 3.468 -1.435 8.448) 9.244 12.990 ( -1.523 7.122 9.361) 11.861 13.105 ( 0.431 -0.485 3.329) 3.392 13.212 ( 2.500 3.524 6.199) 7.556 13.676 ( 4.407 5.840 -1.677) 7.506 14.148 ( 0.095 -5.119 0.965) 5.210 14.276 ( -8.001 3.626 -2.217) 9.060 14.335 ( 4.441 -2.401 -1.838) 5.373 14.746 ( 4.084 2.755 -4.730) 6.829 14.932 ( 4.446 11.044 -9.192) 15.041 15.619 ( -3.578 -6.448 -10.839) 13.110 18.296 ( -0.689 -1.533 -3.287) 3.691 18.324 ( 0.053 0.587 -3.546) 3.595 18.480 ( -0.206 -0.837 -7.333) 7.384 18.536 ( 0.842 1.781 -8.699) 8.919 22.392 ( 0.569 0.985 14.427) 14.472 22.644 ( -2.235 -3.870 6.831) 8.163 27.501 ( 0.356 0.617 -1.175) 1.374 27.664 ( -1.402 -2.428 -2.444) 3.720 36.549 ( 0.995 1.706 -3.529) 4.044 36.769 ( 6.725 11.672 -8.847) 16.117 37.775 ( -4.063 -7.067 -24.707) 26.017 37.900 ( -0.201 -0.325 -26.514) 26.517 ======================= Grid point 284 (51/81) ======================= q-point: ( 0.29 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( 4.427 5.130 25.569) 26.451 4.604 ( 4.171 11.445 31.931) 34.175 4.828 ( 0.716 -2.756 15.353) 15.615 5.211 ( 1.551 -2.777 7.632) 8.269 5.280 ( -2.953 2.793 12.353) 13.004 5.707 ( 2.981 2.697 6.948) 8.027 5.920 ( -1.029 3.765 6.591) 7.660 5.942 ( 2.690 5.469 10.291) 11.961 6.143 ( 1.288 -2.708 12.959) 13.301 6.418 ( 3.103 1.410 8.158) 8.841 6.594 ( 4.411 2.568 -1.026) 5.206 6.735 ( 0.926 -6.546 -3.165) 7.330 7.457 ( -0.872 0.375 9.270) 9.319 7.588 ( -3.146 4.400 9.951) 11.326 7.905 ( 4.991 14.732 14.172) 21.043 8.082 ( 15.538 6.467 25.266) 30.358 8.452 ( -0.950 2.563 -8.377) 8.812 8.604 ( -0.853 -9.210 11.633) 14.862 8.749 ( 0.518 1.844 -5.960) 6.260 9.124 ( -5.988 -11.066 3.404) 13.035 9.332 ( -8.289 4.415 4.737) 10.519 9.509 ( -10.652 -9.847 8.410) 16.768 9.675 ( -6.202 -4.465 -1.587) 7.805 9.907 ( -18.685 1.214 14.130) 23.457 9.989 ( 5.012 -2.905 13.786) 14.953 10.183 ( -5.918 -3.547 7.979) 10.549 10.281 ( 14.959 -20.291 16.083) 29.902 10.705 ( -2.113 -1.602 22.709) 22.863 10.816 ( -4.230 -0.833 20.819) 21.260 10.848 ( 0.695 3.241 7.353) 8.065 11.036 ( -0.129 0.177 7.265) 7.269 11.088 ( 3.975 0.231 1.055) 4.119 11.298 ( -1.981 -0.557 1.919) 2.814 11.432 ( 1.707 -2.031 -14.368) 14.611 11.500 ( -1.631 1.073 -8.105) 8.336 11.672 ( -2.702 -2.714 0.731) 3.898 12.365 ( 7.713 9.609 -4.089) 12.983 12.864 ( -9.651 0.646 5.212) 10.987 13.001 ( 8.133 -5.878 4.312) 10.922 13.157 ( 1.119 5.020 5.722) 7.693 13.290 ( 3.086 3.616 5.930) 7.601 13.799 ( 2.778 4.865 -0.041) 5.603 14.103 ( -2.980 -1.164 0.835) 3.307 14.191 ( -3.927 1.850 -1.007) 4.456 14.368 ( 4.439 -5.371 -4.188) 8.130 14.816 ( -0.099 3.901 -4.169) 5.710 15.089 ( 3.883 6.907 -11.155) 13.683 15.517 ( -1.585 -5.148 -11.380) 12.590 18.270 ( -0.218 -2.064 -2.853) 3.528 18.337 ( -0.086 2.166 -4.029) 4.576 18.463 ( -0.840 -0.945 -6.300) 6.426 18.564 ( 1.041 0.800 -8.903) 8.999 22.417 ( 1.138 1.407 13.678) 13.798 22.567 ( -2.606 -3.300 9.313) 10.219 27.517 ( 0.693 0.912 -1.148) 1.622 27.616 ( -1.595 -2.099 -1.818) 3.202 36.580 ( 0.585 1.861 -4.046) 4.492 37.009 ( 8.960 10.201 -13.311) 19.014 37.615 ( -6.034 -8.519 -22.859) 25.130 37.895 ( -0.490 0.368 -26.920) 26.927 ======================= Grid point 285 (52/81) ======================= q-point: ( 0.43 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( -0.168 2.659 18.298) 18.491 4.653 ( -5.016 3.865 29.351) 30.026 4.851 ( 2.699 -1.448 18.446) 18.699 5.198 ( -2.171 0.382 11.777) 11.982 5.282 ( 0.820 1.875 12.364) 12.532 5.723 ( 1.292 -2.217 10.883) 11.181 5.910 ( -5.663 8.231 5.273) 11.297 6.033 ( -3.497 -3.901 12.456) 13.513 6.147 ( 5.524 5.968 3.322) 8.785 6.517 ( 8.964 -2.515 10.636) 14.135 6.579 ( -4.832 -8.475 3.121) 10.243 6.689 ( 1.033 -6.698 -6.306) 9.258 7.462 ( -0.625 1.502 14.070) 14.164 7.583 ( -2.488 9.913 5.125) 11.434 8.034 ( -1.238 4.867 1.623) 5.278 8.354 ( -4.065 -3.737 2.333) 5.994 8.416 ( 13.812 4.353 22.768) 26.984 8.452 ( -6.148 -12.400 7.268) 15.632 8.842 ( -7.704 5.588 8.128) 12.516 9.043 ( 4.323 0.196 13.376) 14.059 9.230 ( -1.518 -0.696 4.450) 4.753 9.406 ( 2.564 19.067 5.005) 19.879 9.576 ( -3.086 -1.631 -3.196) 4.732 9.658 ( -6.769 -4.457 7.370) 10.955 10.045 ( 0.320 -3.707 10.848) 11.469 10.122 ( 2.317 -2.034 7.466) 8.078 10.327 ( 15.479 -21.120 17.291) 31.379 10.695 ( 0.139 2.652 21.879) 22.040 10.749 ( -3.184 0.815 23.316) 23.547 10.902 ( 2.438 2.300 4.278) 5.435 11.013 ( -0.844 -2.441 8.201) 8.598 11.103 ( -3.157 1.170 -0.440) 3.396 11.296 ( 4.011 -2.147 -0.539) 4.581 11.406 ( -3.048 0.444 -11.584) 11.987 11.511 ( 1.530 0.051 -12.469) 12.562 11.642 ( 0.194 -0.008 9.023) 9.025 12.572 ( 1.843 6.524 -1.997) 7.068 12.668 ( -7.509 0.420 0.744) 7.557 13.062 ( 6.592 -9.677 3.627) 12.258 13.214 ( 0.481 4.956 5.654) 7.534 13.334 ( -2.810 1.250 7.824) 8.407 13.823 ( -3.740 3.057 -0.965) 4.926 14.060 ( -1.199 1.792 1.260) 2.497 14.187 ( 0.504 2.438 -0.056) 2.490 14.383 ( 4.202 -7.303 -5.214) 9.908 14.817 ( -3.855 4.059 -4.392) 7.115 15.172 ( -0.793 4.451 -11.806) 12.642 15.475 ( 2.170 -4.968 -11.405) 12.628 18.257 ( 0.908 -1.755 -2.514) 3.197 18.353 ( -1.171 2.649 -4.665) 5.491 18.444 ( 0.004 -0.667 -5.524) 5.564 18.579 ( 0.225 -0.175 -9.053) 9.057 22.442 ( -0.444 0.766 12.974) 13.004 22.521 ( 0.733 -1.266 10.736) 10.835 27.532 ( -0.324 0.561 -1.171) 1.338 27.587 ( 0.516 -0.893 -1.534) 1.849 36.595 ( -0.768 1.313 -4.275) 4.537 37.169 ( -1.999 3.534 -15.555) 16.076 37.488 ( 2.628 -4.628 -21.637) 22.282 37.893 ( -0.464 0.824 -27.131) 27.148 ======================= Grid point 287 (53/81) ======================= q-point: (-0.43 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( -6.775 -2.476 24.864) 25.890 4.579 ( -10.676 3.755 32.339) 34.262 4.848 ( 0.825 -2.860 14.896) 15.190 5.177 ( 0.241 0.337 12.073) 12.080 5.316 ( 0.775 0.869 7.905) 7.991 5.717 ( -3.815 -1.857 7.564) 8.673 5.818 ( -5.783 3.234 9.365) 11.472 6.019 ( -0.084 4.286 13.436) 14.103 6.191 ( -0.988 -10.425 3.106) 10.923 6.403 ( -8.632 2.004 10.915) 14.059 6.593 ( 2.646 -3.460 0.499) 4.385 6.678 ( 3.734 -0.527 -2.175) 4.353 7.477 ( 1.546 -0.405 11.929) 12.036 7.600 ( -5.578 3.990 4.134) 8.008 7.943 ( -14.562 4.312 27.317) 31.254 8.082 ( -13.995 -14.180 11.346) 22.927 8.400 ( -0.370 3.534 -2.256) 4.209 8.618 ( 11.307 -2.370 5.103) 12.630 8.719 ( -2.992 2.908 -0.158) 4.175 9.099 ( 7.895 1.807 -0.349) 8.106 9.519 ( 15.933 4.244 8.602) 18.597 9.524 ( -1.252 -6.949 1.119) 7.149 9.608 ( 6.587 3.731 1.577) 7.733 9.762 ( 12.544 26.473 16.804) 33.772 9.993 ( 0.741 -5.384 12.445) 13.580 10.147 ( 1.590 -1.682 9.437) 9.717 10.389 ( 14.032 -18.608 13.289) 26.829 10.703 ( 0.126 1.212 25.436) 25.465 10.781 ( 1.911 5.031 21.363) 22.030 10.939 ( 1.152 -4.837 6.280) 8.010 10.980 ( -3.412 5.099 4.237) 7.456 11.054 ( -1.348 -1.176 2.451) 3.034 11.332 ( 0.065 -0.471 6.906) 6.922 11.400 ( 2.935 -0.209 -16.899) 17.153 11.515 ( -1.127 0.445 -8.266) 8.354 11.679 ( 3.994 0.631 -0.964) 4.157 12.379 ( -13.001 -2.860 -4.058) 13.916 12.799 ( 4.071 7.652 4.621) 9.822 13.055 ( 3.744 -7.743 4.256) 9.596 13.204 ( -9.953 -1.225 6.946) 12.198 13.251 ( -1.208 0.958 5.832) 6.032 13.770 ( -5.578 1.955 -0.692) 5.951 14.084 ( 1.022 2.240 2.118) 3.248 14.256 ( 2.995 5.206 -1.878) 6.292 14.350 ( 1.404 -9.397 -4.287) 10.424 14.785 ( -4.137 3.575 -4.607) 7.150 15.119 ( -7.805 -1.205 -10.637) 13.248 15.509 ( 5.600 -0.822 -11.439) 12.762 18.268 ( 1.784 -0.649 -2.740) 3.334 18.342 ( -1.801 0.811 -4.193) 4.635 18.458 ( 1.269 0.516 -6.235) 6.384 18.567 ( -1.164 -0.607 -8.911) 9.007 22.417 ( -1.787 -0.281 13.679) 13.798 22.567 ( 4.160 0.606 9.313) 10.218 27.517 ( -1.136 -0.144 -1.149) 1.622 27.616 ( 2.615 0.332 -1.818) 3.202 36.580 ( -1.906 0.433 -4.040) 4.488 37.009 ( -13.325 -2.681 -13.326) 19.034 37.614 ( 10.403 0.992 -22.840) 25.118 37.895 ( -0.070 0.595 -26.929) 26.936 ======================= Grid point 292 (54/81) ======================= q-point: ( 0.29 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( 2.123 4.567 16.279) 17.040 4.754 ( 6.889 -0.137 23.839) 24.815 4.779 ( -5.729 1.514 20.911) 21.734 5.221 ( 2.691 3.453 13.658) 14.342 5.299 ( -1.425 -1.222 13.399) 13.529 5.694 ( -1.092 -1.865 10.769) 10.984 5.995 ( 5.088 5.874 14.060) 16.064 6.080 ( 2.929 0.375 10.430) 10.839 6.134 ( -2.805 3.928 2.979) 5.672 6.422 ( -2.686 1.804 5.346) 6.249 6.544 ( -1.317 -11.257 -0.749) 11.358 6.610 ( -0.055 -0.617 -1.934) 2.031 7.479 ( 0.751 1.339 14.504) 14.585 7.730 ( 3.780 10.159 6.454) 12.615 8.014 ( -4.333 -6.027 0.153) 7.424 8.286 ( 9.762 9.093 21.001) 24.880 8.379 ( -3.770 -3.369 11.221) 12.308 8.457 ( -1.747 -2.081 -4.552) 5.302 8.951 ( 11.126 9.821 11.299) 18.652 8.982 ( -4.170 1.844 5.113) 6.851 9.287 ( -7.403 -12.276 5.518) 15.361 9.537 ( -0.935 11.924 7.328) 14.027 9.585 ( 1.630 -2.918 -4.341) 5.478 9.806 ( 4.568 -16.368 12.028) 20.819 9.924 ( -12.534 -5.371 16.591) 21.476 9.995 ( 1.884 1.748 10.954) 11.252 10.104 ( -4.330 -5.930 10.041) 12.439 10.714 ( 0.229 1.439 24.101) 24.145 10.799 ( 1.220 -0.742 19.280) 19.333 10.856 ( -2.893 -1.502 13.836) 14.215 11.013 ( 0.078 -0.866 1.083) 1.388 11.136 ( 3.869 4.081 -0.679) 5.664 11.251 ( -3.678 -3.905 -2.119) 5.768 11.431 ( 2.451 1.780 -10.793) 11.210 11.496 ( -2.130 -1.727 -11.137) 11.469 11.643 ( -0.358 -0.531 9.255) 9.277 12.588 ( 6.167 13.492 -2.566) 15.055 12.826 ( 7.131 -11.502 0.449) 13.541 12.860 ( -12.559 -0.920 1.958) 12.744 13.279 ( -0.358 5.222 8.678) 10.134 13.324 ( 3.219 0.216 7.331) 8.009 13.870 ( 2.175 2.574 1.221) 3.584 14.103 ( 1.066 0.977 -3.410) 3.704 14.237 ( -5.786 1.255 -2.370) 6.377 14.252 ( 2.542 -4.899 -1.326) 5.676 14.867 ( 1.647 1.739 -3.691) 4.400 15.233 ( 2.960 7.233 -11.999) 14.320 15.401 ( -3.062 -6.530 -11.918) 13.930 18.239 ( -0.527 -0.963 -1.958) 2.245 18.384 ( 1.188 2.472 -5.100) 5.790 18.436 ( -0.774 -1.812 -5.945) 6.263 18.575 ( 0.103 0.283 -8.709) 8.715 22.451 ( 1.181 2.044 12.738) 12.955 22.507 ( -1.651 -2.857 11.118) 11.597 27.539 ( 0.783 1.355 -1.200) 1.972 27.577 ( -1.079 -1.869 -1.439) 2.594 36.610 ( 0.584 1.003 -4.537) 4.683 37.206 ( 5.832 10.145 -16.454) 20.191 37.436 ( -5.608 -9.758 -20.092) 23.029 37.902 ( 0.161 0.288 -27.819) 27.821 ======================= Grid point 330 (55/81) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( -0.000 0.000 1.078) 1.078 5.022 ( 0.000 0.000 41.907) 41.907 5.022 ( 0.000 0.000 41.907) 41.907 5.228 ( 0.000 -0.000 -6.186) 6.186 5.521 ( 0.000 -0.000 14.530) 14.530 5.521 ( 0.000 0.000 14.530) 14.530 6.092 ( -0.000 0.000 3.838) 3.838 6.092 ( 0.000 0.000 3.838) 3.838 6.411 ( 0.000 0.000 18.730) 18.730 6.549 ( -0.000 0.000 34.645) 34.645 6.669 ( -0.000 0.000 -3.397) 3.397 6.669 ( 0.000 0.000 -3.397) 3.397 7.215 ( 0.000 0.000 -9.371) 9.371 7.215 ( 0.000 -0.000 -9.371) 9.371 8.155 ( 0.000 0.000 -13.054) 13.054 8.155 ( -0.000 0.000 -13.054) 13.054 8.262 ( 0.000 0.000 42.011) 42.011 8.621 ( 0.000 0.000 -28.501) 28.501 8.947 ( 0.000 0.000 -4.377) 4.377 8.947 ( 0.000 0.000 -4.377) 4.377 9.445 ( -0.000 0.000 -10.085) 10.085 9.445 ( 0.000 0.000 -10.085) 10.085 10.059 ( -0.000 0.000 -22.252) 22.252 10.409 ( 0.000 0.000 7.076) 7.076 10.432 ( 0.000 0.000 13.545) 13.545 10.861 ( 0.000 0.000 12.374) 12.374 10.861 ( 0.000 -0.000 12.374) 12.374 11.052 ( 0.000 0.000 18.879) 18.879 11.052 ( -0.000 0.000 18.879) 18.879 11.223 ( 0.000 0.000 -10.025) 10.025 11.282 ( -0.000 -0.000 13.628) 13.628 11.366 ( 0.000 0.000 7.174) 7.174 11.366 ( -0.000 -0.000 7.174) 7.174 11.434 ( 0.000 0.000 18.978) 18.978 11.434 ( 0.000 0.000 18.978) 18.978 11.657 ( 0.000 0.000 -18.341) 18.341 12.115 ( 0.000 0.000 15.925) 15.925 13.075 ( 0.000 0.000 8.987) 8.987 13.075 ( -0.000 0.000 8.987) 8.987 13.217 ( 0.000 0.000 6.428) 6.428 13.217 ( 0.000 0.000 6.428) 6.428 13.434 ( -0.000 -0.000 -5.904) 5.904 14.281 ( 0.000 0.000 -2.204) 2.204 14.281 ( 0.000 0.000 -2.204) 2.204 14.334 ( -0.000 0.000 3.430) 3.430 14.487 ( -0.000 0.000 -8.071) 8.071 14.487 ( -0.000 -0.000 -8.071) 8.071 15.519 ( 0.000 0.000 -15.808) 15.808 18.264 ( 0.000 0.000 -2.660) 2.660 18.264 ( -0.000 0.000 -2.660) 2.660 18.343 ( -0.000 0.000 -5.988) 5.988 18.343 ( -0.000 0.000 -5.988) 5.988 22.634 ( -0.000 0.000 10.602) 10.602 22.806 ( -0.000 0.000 3.487) 3.487 27.485 ( 0.000 0.000 0.560) 0.560 27.654 ( 0.000 -0.000 -2.958) 2.958 36.490 ( 0.000 0.000 0.868) 0.868 36.490 ( 0.000 0.000 0.868) 0.868 37.418 ( 0.000 0.000 -22.403) 22.403 37.418 ( 0.000 0.000 -22.403) 22.403 ======================= Grid point 331 (56/81) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.925 ( 2.506 1.382 2.577) 3.851 5.002 ( -1.817 -0.881 32.861) 32.923 5.053 ( 2.554 1.370 36.056) 36.173 5.256 ( 2.838 1.598 2.452) 4.076 5.534 ( 1.095 0.887 15.485) 15.549 5.585 ( 5.678 3.056 13.018) 14.528 6.073 ( -1.385 -0.286 5.800) 5.970 6.122 ( 2.514 0.766 3.619) 4.473 6.438 ( 0.339 0.657 15.307) 15.324 6.539 ( -0.177 0.216 29.782) 29.783 6.644 ( 0.769 -2.576 -0.499) 2.734 6.680 ( -0.250 2.368 0.181) 2.388 7.287 ( 5.791 3.124 -8.141) 10.468 7.301 ( 7.593 4.502 -9.646) 13.075 8.119 ( -4.187 -2.699 -8.542) 9.888 8.160 ( -0.245 0.090 -16.142) 16.144 8.345 ( 7.426 4.384 38.828) 39.774 8.486 ( -6.511 -3.895 -25.861) 26.951 8.871 ( -5.311 -2.473 1.453) 6.036 9.055 ( 4.342 1.790 -9.031) 10.179 9.432 ( -0.946 1.606 -11.450) 11.600 9.443 ( 0.165 -1.813 -10.165) 10.327 10.071 ( 0.996 0.602 -18.388) 18.424 10.318 ( -10.229 -6.610 11.806) 16.962 10.394 ( -1.519 -0.242 9.070) 9.199 10.792 ( -10.445 -4.264 18.153) 21.373 10.873 ( 1.836 -1.443 13.539) 13.739 10.970 ( -5.648 -2.738 14.963) 16.226 11.065 ( 0.890 0.741 16.142) 16.183 11.166 ( -4.381 -0.783 -2.518) 5.113 11.200 ( -0.905 -2.109 5.317) 5.791 11.298 ( -3.297 -3.460 11.403) 12.364 11.347 ( -4.003 -0.933 12.101) 12.780 11.502 ( 1.245 2.167 9.248) 9.580 11.510 ( 4.691 1.276 14.060) 14.877 11.659 ( 2.158 1.247 -10.799) 11.083 12.118 ( 1.025 0.572 13.378) 13.429 13.057 ( -1.495 0.450 8.456) 8.599 13.094 ( 1.626 0.507 8.310) 8.482 13.190 ( -1.444 -2.854 2.449) 4.028 13.281 ( 4.233 3.540 6.509) 8.533 13.521 ( 6.760 4.021 -2.803) 8.350 14.211 ( -5.174 -1.306 -1.555) 5.558 14.248 ( -0.644 -3.166 -2.493) 4.081 14.330 ( -0.195 0.768 1.914) 2.072 14.552 ( 3.459 3.253 -6.976) 8.439 14.611 ( 9.597 4.459 -8.366) 13.490 15.457 ( -5.270 -3.031 -15.396) 16.553 18.255 ( -0.681 -0.382 -2.538) 2.656 18.260 ( -0.266 -0.174 -2.592) 2.611 18.347 ( 0.279 0.231 -5.785) 5.796 18.361 ( 1.414 0.756 -6.085) 6.293 22.636 ( 0.206 0.119 10.455) 10.458 22.791 ( -1.322 -0.763 4.086) 4.362 27.488 ( 0.318 0.183 0.530) 0.644 27.642 ( -1.142 -0.659 -2.599) 2.915 36.498 ( 0.716 0.415 0.664) 1.061 36.546 ( 5.008 2.890 -0.775) 5.834 37.384 ( -3.071 -1.771 -21.665) 21.953 37.413 ( -0.400 -0.233 -22.327) 22.332 ======================= Grid point 332 (57/81) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.947 ( -1.829 -1.593 19.710) 19.859 4.998 ( 2.843 2.315 8.644) 9.389 5.102 ( 1.570 0.881 21.020) 21.097 5.344 ( 4.954 2.155 13.152) 14.218 5.570 ( 1.409 2.176 18.956) 19.132 5.732 ( 7.597 3.300 8.352) 11.763 6.055 ( -2.126 1.945 9.928) 10.337 6.163 ( 3.827 -2.655 6.228) 7.777 6.374 ( -6.057 -1.995 5.991) 8.750 6.588 ( 2.616 5.706 16.718) 17.857 6.645 ( 1.518 -3.843 3.668) 5.526 6.754 ( 5.638 5.009 11.324) 13.606 7.415 ( 5.280 3.137 -5.742) 8.408 7.516 ( 11.236 5.679 -8.091) 14.966 7.965 ( -7.861 -6.116 -2.627) 10.301 8.113 ( -4.745 -1.620 -22.137) 22.698 8.423 ( 1.195 -0.488 -22.901) 22.938 8.574 ( 11.442 7.127 25.574) 28.910 8.819 ( -0.329 3.163 8.465) 9.043 9.033 ( -2.751 -2.969 -6.428) 7.596 9.414 ( 0.695 -4.721 -5.846) 7.547 9.466 ( -0.472 3.971 -14.069) 14.626 9.991 ( -14.575 -9.857 10.793) 20.641 10.119 ( 0.585 0.001 -11.557) 11.572 10.352 ( -5.328 -0.255 12.953) 14.009 10.417 ( -20.465 -10.739 23.099) 32.676 10.870 ( 2.376 -6.672 7.687) 10.452 10.918 ( -4.269 4.186 9.665) 11.365 11.075 ( -0.544 0.950 8.709) 8.777 11.147 ( 1.657 0.434 9.273) 9.429 11.187 ( 0.029 -5.582 9.079) 10.658 11.208 ( -2.653 -0.128 10.571) 10.900 11.261 ( -3.704 -0.323 8.362) 9.151 11.484 ( -2.930 -0.295 4.150) 5.088 11.580 ( 2.511 1.025 13.436) 13.707 11.751 ( 4.774 2.703 2.449) 6.008 12.198 ( 7.041 3.642 6.249) 10.094 12.963 ( -10.764 -2.016 3.408) 11.469 13.142 ( 5.324 -0.843 2.094) 5.783 13.192 ( 3.546 0.276 5.896) 6.885 13.375 ( 2.837 2.720 7.055) 8.076 13.662 ( 4.530 4.058 -2.505) 6.577 14.144 ( -1.679 -0.299 1.857) 2.522 14.213 ( -0.200 -3.320 -1.090) 3.500 14.341 ( 0.065 1.365 -1.509) 2.036 14.618 ( 0.693 3.124 -6.522) 7.265 14.806 ( 8.703 2.623 -9.503) 13.150 15.335 ( -4.938 -2.565 -14.361) 15.402 18.241 ( -0.579 -0.275 -2.173) 2.266 18.255 ( -0.104 -0.204 -2.508) 2.519 18.352 ( -0.080 0.223 -5.195) 5.200 18.393 ( 1.494 0.678 -6.449) 6.654 22.644 ( 0.518 0.299 10.009) 10.027 22.754 ( -1.888 -1.090 5.518) 5.933 27.499 ( 0.656 0.379 0.412) 0.862 27.610 ( -1.655 -0.955 -1.777) 2.609 36.517 ( 0.915 0.534 0.198) 1.078 36.690 ( 7.830 4.512 -4.776) 10.221 37.290 ( -5.482 -3.156 -19.619) 20.613 37.403 ( -0.520 -0.307 -22.152) 22.160 ======================= Grid point 333 (58/81) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.910 ( -0.977 -0.653 16.913) 16.954 5.062 ( 2.122 1.182 12.259) 12.498 5.117 ( -0.174 0.163 8.959) 8.963 5.420 ( 2.221 0.479 13.354) 13.546 5.613 ( 1.059 1.835 24.731) 24.822 5.845 ( 2.973 0.582 2.760) 4.099 6.044 ( -0.363 1.627 13.269) 13.373 6.207 ( 2.212 -0.904 10.330) 10.603 6.262 ( -3.285 -2.064 5.338) 6.599 6.585 ( -1.786 -1.276 -5.247) 5.688 6.741 ( 3.636 5.811 14.302) 15.860 6.879 ( 4.251 1.013 13.763) 14.440 7.502 ( 3.553 0.630 -1.272) 3.826 7.665 ( -1.044 1.968 3.629) 4.258 7.826 ( 0.061 -4.171 -12.799) 13.462 8.035 ( -2.480 0.153 -19.684) 19.840 8.457 ( 2.204 -0.278 -15.606) 15.763 8.729 ( 1.364 0.844 -10.116) 10.242 8.875 ( 0.092 4.868 2.754) 5.594 9.115 ( 11.961 6.424 9.112) 16.351 9.395 ( 0.878 -4.134 0.853) 4.311 9.422 ( -5.682 -0.161 -0.559) 5.711 9.690 ( -8.075 -9.919 10.559) 16.585 9.969 ( -15.822 -3.365 23.026) 28.140 10.167 ( 1.973 0.169 -2.128) 2.906 10.307 ( -2.612 -0.547 7.994) 8.427 10.847 ( 1.247 -3.546 3.885) 5.406 10.867 ( -3.695 0.967 4.821) 6.151 11.082 ( 0.829 -0.621 15.043) 15.078 11.133 ( -0.141 -0.509 6.925) 6.945 11.159 ( -1.859 0.438 12.977) 13.116 11.206 ( 0.201 0.186 9.753) 9.756 11.257 ( 2.418 0.073 9.444) 9.749 11.425 ( -3.030 -0.439 5.254) 6.081 11.612 ( 0.763 0.331 13.556) 13.582 11.828 ( 1.960 1.107 6.560) 6.935 12.401 ( 11.163 5.261 -0.421) 12.348 12.725 ( -12.455 -5.001 0.529) 13.432 13.216 ( 1.905 1.680 1.615) 3.010 13.263 ( 3.966 -0.484 3.653) 5.414 13.415 ( 0.601 0.557 6.871) 6.920 13.724 ( 0.263 1.647 -3.359) 3.751 14.131 ( -0.283 -0.599 4.354) 4.404 14.189 ( -0.009 -0.615 1.413) 1.541 14.350 ( 0.074 0.194 -4.354) 4.359 14.638 ( -0.397 1.290 -6.349) 6.490 14.910 ( 2.773 -0.009 -10.252) 10.621 15.279 ( -0.875 -0.062 -13.348) 13.377 18.232 ( -0.221 -0.071 -1.884) 1.898 18.253 ( 0.046 -0.112 -2.570) 2.573 18.350 ( -0.194 0.079 -4.542) 4.547 18.415 ( 0.626 0.253 -6.777) 6.810 22.658 ( 0.595 0.344 9.357) 9.382 22.718 ( -1.197 -0.691 6.932) 7.068 27.514 ( 0.624 0.360 0.197) 0.747 27.578 ( -1.059 -0.611 -1.028) 1.597 36.532 ( 0.416 0.244 -0.182) 0.515 36.852 ( 5.909 3.401 -8.876) 11.192 37.167 ( -4.888 -2.810 -17.008) 17.919 37.394 ( -0.239 -0.143 -22.005) 22.007 ======================= Grid point 338 (59/81) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.956 ( -1.598 -0.910 22.306) 22.382 4.978 ( 1.900 1.177 5.650) 6.076 5.096 ( 1.347 2.483 26.525) 26.675 5.321 ( 2.680 5.417 12.064) 13.493 5.554 ( 1.541 0.993 15.709) 15.816 5.698 ( 4.111 8.419 10.868) 14.349 6.053 ( 1.222 -1.455 8.900) 9.101 6.169 ( -1.189 4.147 3.878) 5.801 6.398 ( -0.649 -4.705 12.935) 13.780 6.557 ( 0.780 -3.053 4.330) 5.355 6.624 ( -1.444 5.467 20.512) 21.277 6.740 ( 3.923 2.995 4.275) 6.529 7.399 ( 4.258 6.334 -9.036) 11.828 7.434 ( 5.007 10.684 -7.028) 13.734 8.019 ( -4.885 -6.615 -3.808) 9.063 8.151 ( -0.463 -2.164 -20.743) 20.860 8.418 ( -1.669 -1.595 -25.715) 25.819 8.477 ( 4.879 7.574 29.955) 31.280 8.822 ( 2.163 0.505 10.662) 10.891 9.094 ( -1.210 -0.200 -8.392) 8.481 9.358 ( -2.879 -2.996 -10.228) 11.040 9.492 ( 1.915 1.633 -11.394) 11.669 10.061 ( -4.388 -8.153 1.645) 9.403 10.109 ( -6.553 -8.586 -2.670) 11.126 10.376 ( 0.216 -1.602 10.227) 10.354 10.659 ( -1.138 -17.033 20.326) 26.544 10.747 ( -11.667 -2.743 18.377) 21.940 10.960 ( 1.266 -1.115 4.406) 4.718 11.073 ( 1.177 -2.599 9.038) 9.477 11.108 ( -1.862 0.898 7.761) 8.032 11.183 ( -1.139 0.330 9.669) 9.741 11.244 ( -2.711 -1.691 10.976) 11.432 11.298 ( -1.520 -5.537 5.670) 8.069 11.515 ( 2.135 -1.650 6.526) 7.061 11.537 ( -1.042 2.354 11.292) 11.581 11.729 ( 3.088 5.417 1.069) 6.326 12.161 ( 2.605 4.933 8.374) 10.062 13.019 ( 2.723 -4.643 5.823) 7.930 13.122 ( -6.492 -3.147 -0.478) 7.230 13.187 ( 1.308 7.357 9.252) 11.893 13.328 ( 3.106 1.990 5.107) 6.300 13.644 ( 5.120 7.260 -1.568) 9.021 14.163 ( 0.283 -2.657 0.761) 2.778 14.219 ( -4.308 0.504 -2.898) 5.216 14.322 ( 0.862 -1.769 1.174) 2.292 14.631 ( 4.780 2.863 -6.875) 8.849 14.746 ( 2.843 9.774 -9.301) 13.788 15.362 ( -3.464 -6.282 -14.684) 16.343 18.240 ( -0.528 -0.941 -2.216) 2.465 18.262 ( 0.089 0.292 -2.512) 2.531 18.349 ( 0.158 -0.102 -5.542) 5.545 18.385 ( 0.760 1.581 -6.246) 6.487 22.641 ( 0.247 0.428 10.157) 10.169 22.765 ( -1.072 -1.857 5.100) 5.532 27.495 ( 0.334 0.579 0.454) 0.808 27.619 ( -0.939 -1.626 -2.010) 2.750 36.514 ( 0.662 1.140 0.280) 1.348 36.644 ( 4.174 7.239 -3.545) 9.077 37.320 ( -2.901 -5.037 -20.211) 21.031 37.406 ( -0.279 -0.474 -22.258) 22.265 ======================= Grid point 339 (60/81) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( -1.102 -2.603 17.870) 18.092 5.039 ( 2.328 2.344 6.931) 7.678 5.126 ( 0.177 0.820 15.762) 15.784 5.417 ( 1.759 5.788 15.419) 16.563 5.600 ( 2.745 0.710 18.396) 18.613 5.822 ( 2.068 4.636 5.467) 7.461 6.120 ( 3.917 4.195 13.602) 14.763 6.137 ( -2.831 1.734 7.738) 8.420 6.333 ( -4.616 -1.001 6.660) 8.165 6.542 ( 2.996 -4.112 -0.213) 5.092 6.710 ( 4.541 1.236 17.255) 17.886 6.798 ( 2.019 -0.841 10.493) 10.718 7.492 ( 1.504 4.926 -3.514) 6.235 7.648 ( 8.250 8.698 -7.031) 13.898 7.865 ( -8.087 -3.236 -2.853) 9.166 8.120 ( -2.539 2.667 -20.786) 21.109 8.402 ( 1.353 -1.260 -19.243) 19.332 8.578 ( 5.746 -5.910 4.143) 9.226 9.005 ( 7.880 4.695 4.510) 10.222 9.038 ( -2.298 9.693 9.534) 13.789 9.322 ( 1.481 -0.756 -4.353) 4.659 9.486 ( -3.141 -3.211 -9.963) 10.928 9.740 ( -10.448 -12.267 11.455) 19.770 10.110 ( 3.585 -0.534 -3.403) 4.972 10.277 ( -18.524 -6.377 15.547) 25.010 10.363 ( -8.839 0.102 12.023) 14.923 10.681 ( 8.761 -14.673 19.849) 26.193 10.921 ( -3.518 -0.955 2.595) 4.475 11.055 ( 0.409 -2.060 5.979) 6.337 11.122 ( -0.032 1.569 11.281) 11.390 11.184 ( 0.319 -0.017 11.422) 11.426 11.206 ( -0.845 0.627 10.557) 10.609 11.226 ( -0.368 -3.431 4.969) 6.049 11.490 ( -3.435 0.498 5.455) 6.466 11.567 ( 3.048 -1.909 13.252) 13.731 11.821 ( 2.147 3.993 6.663) 8.059 12.308 ( 7.508 8.617 1.625) 11.544 12.906 ( -14.068 -4.081 -1.133) 14.692 13.055 ( 8.445 -8.980 1.933) 12.478 13.281 ( -0.294 8.552 6.814) 10.939 13.409 ( 4.361 2.415 5.583) 7.485 13.763 ( 0.975 4.675 -3.694) 6.037 14.136 ( -1.818 -0.990 2.644) 3.358 14.187 ( 0.190 1.023 0.745) 1.280 14.311 ( 1.117 -3.654 -0.813) 3.906 14.705 ( -0.378 4.241 -6.874) 8.085 14.869 ( 3.260 5.365 -10.620) 12.337 15.265 ( -1.181 -5.027 -13.642) 14.587 18.225 ( -0.148 -1.011 -1.628) 1.922 18.268 ( -0.267 1.280 -2.752) 3.047 18.348 ( 0.092 -0.648 -4.982) 5.025 18.409 ( 0.656 0.872 -6.545) 6.635 22.653 ( 0.540 0.668 9.568) 9.607 22.728 ( -1.283 -1.635 6.548) 6.870 27.510 ( 0.605 0.793 0.264) 1.032 27.586 ( -1.142 -1.497 -1.212) 2.239 36.535 ( 0.395 1.242 -0.240) 1.326 36.798 ( 5.992 6.700 -7.599) 11.771 37.205 ( -4.574 -5.798 -17.640) 19.123 37.398 ( -0.332 -0.214 -22.204) 22.208 ======================= Grid point 340 (61/81) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( 1.002 -1.636 15.761) 15.878 5.077 ( -0.255 0.722 12.155) 12.179 5.123 ( -0.346 0.037 7.960) 7.967 5.468 ( -1.561 4.353 14.372) 15.098 5.623 ( -0.848 -0.958 21.582) 21.620 5.857 ( 1.092 -0.230 2.084) 2.364 6.101 ( -4.445 4.626 12.585) 14.126 6.221 ( 0.513 1.057 5.566) 5.688 6.290 ( -1.704 6.210 13.604) 15.051 6.544 ( 1.663 -2.349 -3.237) 4.331 6.712 ( -0.670 -8.010 10.641) 13.336 6.826 ( 6.022 -6.430 15.370) 17.716 7.582 ( -0.494 8.126 -2.011) 8.385 7.671 ( -5.774 -0.906 4.882) 7.615 7.855 ( 3.210 4.729 -15.046) 16.095 8.095 ( -5.401 5.396 -17.235) 18.850 8.437 ( 3.671 -2.113 -12.406) 13.109 8.569 ( 4.713 -11.727 -7.780) 14.841 8.959 ( -3.434 0.575 -7.453) 8.226 9.253 ( -1.583 3.786 7.708) 8.733 9.321 ( -2.483 -3.487 0.835) 4.361 9.405 ( 3.988 0.643 2.142) 4.573 9.683 ( 3.741 9.585 11.235) 15.235 9.936 ( -9.506 0.011 21.569) 23.571 10.173 ( 1.394 1.192 3.004) 3.520 10.274 ( -0.199 -2.834 6.183) 6.805 10.698 ( 9.678 -14.546 16.177) 23.810 10.889 ( -1.571 3.607 2.120) 4.469 11.059 ( 2.025 -0.770 6.338) 6.698 11.122 ( 0.430 -1.155 8.325) 8.416 11.160 ( -1.667 -0.272 12.273) 12.388 11.203 ( 0.097 -0.053 10.886) 10.886 11.246 ( 1.991 -1.310 9.690) 9.979 11.445 ( -2.484 2.245 6.030) 6.897 11.585 ( 1.885 -2.849 12.229) 12.698 11.859 ( -1.003 1.753 8.582) 8.816 12.508 ( 0.580 4.836 -3.228) 5.843 12.663 ( -4.764 0.193 0.389) 4.784 13.093 ( 7.945 -11.940 -0.132) 14.343 13.326 ( -2.909 6.855 5.488) 9.250 13.480 ( -1.488 2.959 6.663) 7.441 13.761 ( -2.723 2.011 -4.909) 5.963 14.117 ( 0.990 -0.939 3.988) 4.215 14.205 ( -0.455 1.726 1.911) 2.615 14.302 ( 2.035 -3.851 -2.168) 4.865 14.703 ( -4.248 4.380 -6.944) 9.244 14.943 ( 0.148 3.612 -10.921) 11.504 15.228 ( 2.230 -5.174 -13.091) 14.252 18.218 ( 0.455 -0.810 -1.280) 1.582 18.274 ( -0.824 1.672 -3.143) 3.654 18.342 ( 0.246 -0.835 -4.480) 4.564 18.420 ( 0.023 0.148 -6.728) 6.729 22.665 ( -0.220 0.380 9.042) 9.053 22.705 ( 0.373 -0.645 7.445) 7.482 27.522 ( -0.267 0.462 0.067) 0.537 27.565 ( 0.381 -0.659 -0.755) 1.072 36.544 ( -0.509 0.874 -0.476) 1.118 36.908 ( -1.271 2.234 -10.239) 10.557 37.111 ( 1.521 -2.667 -15.622) 15.920 37.394 ( -0.048 0.091 -22.186) 22.187 ======================= Grid point 342 (62/81) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( 2.965 -0.447 17.339) 17.597 5.038 ( -3.522 -0.816 9.560) 10.221 5.123 ( -0.661 0.459 13.055) 13.079 5.432 ( -6.115 0.662 16.653) 17.753 5.578 ( -1.875 -0.871 17.303) 17.426 5.840 ( -4.936 -0.610 5.083) 7.112 6.046 ( -3.450 2.319 13.374) 14.005 6.257 ( -3.521 -2.567 4.216) 6.063 6.291 ( 3.788 4.841 10.907) 12.520 6.552 ( 0.854 -4.987 0.032) 5.059 6.650 ( 0.668 0.687 14.469) 14.501 6.820 ( -2.180 -3.506 13.622) 14.234 7.504 ( -6.704 0.218 -6.240) 9.162 7.634 ( -7.513 -1.274 -2.232) 7.941 7.917 ( 3.283 2.110 -6.447) 7.536 8.091 ( -0.028 4.765 -21.223) 21.751 8.434 ( -0.620 -3.051 -18.693) 18.950 8.553 ( 3.321 -7.186 7.033) 10.589 8.923 ( -7.752 4.657 1.533) 9.173 9.064 ( -6.053 0.424 11.765) 13.237 9.382 ( 0.939 -4.693 -9.302) 10.461 9.467 ( 2.321 2.861 -7.619) 8.463 9.780 ( 13.655 -0.750 11.387) 17.795 10.073 ( 3.216 1.619 0.685) 3.665 10.272 ( 12.845 15.322 18.953) 27.549 10.327 ( 3.072 2.829 9.449) 10.331 10.718 ( 9.698 -14.507 15.534) 23.362 10.916 ( 0.728 3.057 0.138) 3.146 11.068 ( -0.079 -2.043 9.588) 9.803 11.145 ( -0.394 -0.382 15.318) 15.328 11.166 ( 3.472 1.692 6.356) 7.437 11.194 ( 0.848 0.361 8.298) 8.349 11.240 ( 0.201 -1.931 8.953) 9.161 11.468 ( 0.979 3.779 6.616) 7.682 11.574 ( 0.267 -3.132 11.202) 11.635 11.821 ( -4.500 0.111 6.981) 8.307 12.320 ( -11.852 -3.035 1.118) 12.285 12.850 ( 9.413 8.842 0.885) 12.945 13.097 ( 5.446 -9.347 0.204) 10.820 13.309 ( -6.566 4.165 4.515) 8.991 13.396 ( -5.118 -3.456 7.668) 9.846 13.740 ( -4.578 2.936 -2.386) 5.939 14.143 ( 0.793 0.565 3.499) 3.631 14.210 ( 1.191 0.078 -2.108) 2.423 14.298 ( 1.693 -2.878 -0.166) 3.343 14.670 ( -4.235 3.737 -6.867) 8.892 14.909 ( -6.139 -1.491 -10.293) 12.077 15.257 ( 5.335 -1.088 -13.678) 14.722 18.224 ( 0.938 -0.349 -1.564) 1.857 18.270 ( -1.000 0.773 -2.864) 3.130 18.344 ( 0.504 -0.222 -4.906) 4.937 18.411 ( -1.035 -0.243 -6.571) 6.656 22.653 ( -0.848 -0.133 9.568) 9.607 22.728 ( 2.057 0.294 6.548) 6.869 27.510 ( -0.989 -0.127 0.264) 1.032 27.586 ( 1.868 0.241 -1.212) 2.239 36.535 ( -1.274 0.283 -0.237) 1.327 36.798 ( -8.803 -1.849 -7.607) 11.780 37.204 ( 7.312 1.073 -17.632) 19.118 37.398 ( 0.353 0.176 -22.208) 22.212 ======================= Grid point 347 (63/81) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( -0.770 -1.300 15.125) 15.200 5.085 ( 1.191 2.221 9.659) 9.982 5.122 ( -0.431 -0.991 10.535) 10.590 5.532 ( 1.972 4.951 16.542) 17.380 5.600 ( 0.764 -0.554 16.226) 16.254 5.844 ( -1.091 -1.336 2.804) 3.292 6.189 ( 5.166 3.623 8.493) 10.580 6.213 ( -2.111 1.710 7.722) 8.186 6.386 ( 3.200 7.573 12.249) 14.752 6.526 ( -0.098 2.437 4.727) 5.319 6.609 ( 0.023 -8.593 10.511) 13.577 6.719 ( -5.779 -6.937 14.090) 16.734 7.638 ( 3.669 9.872 -1.030) 10.582 7.746 ( 5.289 -0.250 -1.547) 5.517 7.851 ( -5.599 -0.408 -11.542) 12.835 8.188 ( 4.044 3.508 -16.103) 16.970 8.385 ( -2.979 -0.066 -12.100) 12.461 8.444 ( -1.497 -6.200 -5.281) 8.281 8.967 ( 0.033 -2.009 -8.559) 8.792 9.243 ( 3.762 7.848 14.224) 16.675 9.335 ( 0.849 -4.676 -0.629) 4.794 9.407 ( -4.261 -2.395 -9.580) 10.755 9.735 ( 4.020 13.608 11.778) 18.441 10.056 ( -0.868 -11.935 8.126) 14.465 10.180 ( -2.208 2.663 6.696) 7.537 10.314 ( 0.256 -7.775 13.159) 15.286 10.410 ( -8.256 -7.931 28.559) 30.768 10.948 ( 1.550 2.866 -0.428) 3.286 11.030 ( -2.011 -1.457 3.202) 4.052 11.111 ( -1.083 -3.056 8.985) 9.552 11.168 ( 1.117 0.558 13.973) 14.029 11.207 ( 0.243 0.821 9.549) 9.588 11.219 ( -0.408 0.119 10.022) 10.031 11.493 ( 0.925 0.016 7.418) 7.475 11.533 ( -1.358 -1.293 10.390) 10.558 11.878 ( 0.972 1.681 9.855) 10.044 12.520 ( 6.404 13.250 -2.860) 14.992 12.781 ( -2.383 -11.302 -4.141) 12.270 12.890 ( -5.519 -4.622 1.887) 7.442 13.443 ( 0.731 4.320 7.610) 8.781 13.460 ( 3.868 4.414 6.137) 8.491 13.795 ( 0.080 -0.933 -7.802) 7.858 14.103 ( -1.138 -1.672 3.687) 4.205 14.224 ( 0.698 1.822 1.170) 2.275 14.258 ( -0.651 -1.492 1.371) 2.128 14.761 ( 1.991 1.912 -6.968) 7.495 14.993 ( 2.078 6.459 -11.802) 13.613 15.151 ( -2.875 -6.439 -12.953) 14.748 18.210 ( -0.252 -0.442 -0.890) 1.025 18.296 ( 0.733 1.493 -3.563) 3.932 18.330 ( -0.491 -1.150 -4.487) 4.658 18.420 ( 0.130 0.305 -6.638) 6.647 22.669 ( 0.587 1.016 8.858) 8.935 22.698 ( -0.831 -1.439 7.712) 7.889 27.528 ( 0.637 1.103 -0.030) 1.274 27.558 ( -0.815 -1.412 -0.594) 1.735 36.555 ( 0.391 0.674 -0.723) 1.063 36.929 ( 3.950 6.861 -10.886) 13.461 37.084 ( -3.811 -6.620 -14.711) 16.576 37.395 ( -0.043 -0.072 -22.393) 22.393 ======================= Grid point 385 (64/81) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.932 ( 0.000 0.000 2.689) 2.689 5.107 ( 0.000 0.000 -5.688) 5.688 5.753 ( -0.000 0.000 24.979) 24.979 5.753 ( 0.000 -0.000 24.979) 24.979 5.789 ( 0.000 0.000 11.241) 11.241 5.789 ( 0.000 0.000 11.241) 11.241 6.250 ( 0.000 -0.000 16.581) 16.581 6.250 ( 0.000 0.000 16.581) 16.581 6.631 ( 0.000 0.000 0.104) 0.104 6.631 ( 0.000 -0.000 0.104) 0.104 6.841 ( 0.000 0.000 23.917) 23.917 6.996 ( -0.000 -0.000 -10.966) 10.966 6.996 ( -0.000 0.000 -10.966) 10.966 7.286 ( 0.000 0.000 37.330) 37.330 7.647 ( 0.000 0.000 -32.590) 32.590 7.647 ( 0.000 -0.000 -32.590) 32.590 8.012 ( 0.000 0.000 -29.720) 29.720 8.709 ( 0.000 0.000 -9.139) 9.139 8.980 ( -0.000 0.000 4.777) 4.777 8.980 ( 0.000 0.000 4.777) 4.777 9.251 ( 0.000 0.000 -8.746) 8.746 9.251 ( 0.000 -0.000 -8.746) 8.746 9.747 ( 0.000 -0.000 6.133) 6.133 10.429 ( -0.000 -0.000 -5.981) 5.981 10.680 ( 0.000 0.000 11.534) 11.534 11.106 ( 0.000 0.000 11.052) 11.052 11.106 ( 0.000 0.000 11.052) 11.052 11.199 ( 0.000 0.000 3.817) 3.817 11.243 ( 0.000 0.000 -17.005) 17.005 11.314 ( 0.000 0.000 4.189) 4.189 11.314 ( 0.000 -0.000 4.189) 4.189 11.383 ( -0.000 0.000 -4.207) 4.207 11.550 ( 0.000 0.000 12.067) 12.067 11.550 ( 0.000 0.000 12.067) 12.067 11.711 ( 0.000 -0.000 7.907) 7.907 11.711 ( 0.000 -0.000 7.907) 7.907 12.594 ( 0.000 0.000 25.804) 25.804 13.245 ( 0.000 0.000 7.620) 7.620 13.245 ( 0.000 0.000 7.620) 7.620 13.287 ( -0.000 0.000 -9.249) 9.249 13.333 ( 0.000 -0.000 4.415) 4.415 13.333 ( 0.000 0.000 4.415) 4.415 14.219 ( 0.000 0.000 -2.916) 2.916 14.219 ( 0.000 -0.000 -2.916) 2.916 14.325 ( -0.000 0.000 -7.552) 7.552 14.325 ( -0.000 -0.000 -7.552) 7.552 14.474 ( 0.000 0.000 10.753) 10.753 15.157 ( 0.000 0.000 -19.540) 19.540 18.223 ( 0.000 0.000 -1.346) 1.346 18.223 ( 0.000 0.000 -1.346) 1.346 18.251 ( 0.000 -0.000 -3.147) 3.147 18.251 ( 0.000 0.000 -3.147) 3.147 22.799 ( -0.000 0.000 5.736) 5.736 22.862 ( 0.000 0.000 1.821) 1.821 27.509 ( 0.000 -0.000 1.689) 1.689 27.599 ( 0.000 0.000 -2.608) 2.608 36.555 ( -0.000 0.000 5.805) 5.805 36.555 ( -0.000 0.000 5.805) 5.805 37.017 ( 0.000 -0.000 -17.193) 17.193 37.017 ( 0.000 0.000 -17.193) 17.193 ======================= Grid point 386 (65/81) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.967 ( 3.076 1.781 2.323) 4.246 5.101 ( -0.366 -0.234 -3.959) 3.983 5.659 ( -6.509 -2.456 20.948) 22.073 5.704 ( -1.373 -2.422 17.417) 17.638 5.849 ( 3.837 -0.552 12.565) 13.149 5.850 ( 1.736 4.118 11.844) 12.660 6.268 ( 1.667 0.561 16.089) 16.185 6.278 ( 2.574 1.880 18.189) 18.467 6.602 ( -3.336 -1.434 3.394) 4.971 6.631 ( 0.292 -0.486 1.244) 1.367 6.832 ( 2.119 1.534 13.172) 13.429 7.066 ( 6.261 3.141 -11.548) 13.506 7.133 ( 8.698 5.638 -1.332) 10.451 7.267 ( -0.728 -0.746 34.336) 34.352 7.627 ( -1.622 -0.694 -30.969) 31.019 7.695 ( 4.432 2.333 -30.962) 31.365 7.972 ( -3.414 -1.984 -23.807) 24.132 8.666 ( -4.253 -2.453 -14.483) 15.293 8.977 ( -1.068 2.031 6.582) 6.971 8.994 ( 2.130 -1.637 1.061) 2.888 9.221 ( -2.278 -0.840 -8.939) 9.262 9.302 ( 4.274 2.265 -5.488) 7.316 9.815 ( 6.093 3.522 7.371) 10.191 10.452 ( 1.692 0.873 -3.709) 4.169 10.554 ( -11.434 -6.525 11.414) 17.424 11.064 ( -7.495 -3.669 5.373) 9.925 11.082 ( -10.156 -7.587 -3.567) 13.170 11.124 ( 0.040 1.246 9.563) 9.644 11.197 ( 0.963 0.598 6.127) 6.231 11.315 ( -0.760 -0.556 1.397) 1.684 11.322 ( -0.276 -0.098 -0.625) 0.690 11.341 ( 1.319 0.652 0.320) 1.506 11.523 ( -1.850 -1.020 13.149) 13.318 11.572 ( -0.707 -0.492 9.265) 9.305 11.736 ( 2.558 0.587 6.119) 6.658 11.741 ( 1.897 1.981 6.863) 7.391 12.543 ( -3.645 -2.144 23.255) 23.636 13.144 ( -7.642 -4.220 -5.209) 10.166 13.218 ( -2.293 -0.321 7.406) 7.759 13.278 ( 2.625 0.054 7.250) 7.711 13.388 ( 4.394 2.814 3.155) 6.098 13.481 ( 6.955 4.038 -1.465) 8.175 14.188 ( -1.003 -0.165 0.325) 1.067 14.200 ( -0.061 -0.653 -0.853) 1.076 14.376 ( 1.924 1.654 -4.862) 5.484 14.419 ( 4.945 2.993 -7.306) 9.316 14.482 ( 3.169 1.360 4.809) 5.918 15.107 ( -4.112 -2.364 -18.713) 19.304 18.217 ( -0.321 -0.196 -1.090) 1.153 18.222 ( -0.063 -0.033 -1.113) 1.115 18.256 ( 0.423 0.295 -3.238) 3.279 18.265 ( 1.058 0.568 -3.434) 3.638 22.798 ( -0.027 -0.015 5.629) 5.629 22.855 ( -0.574 -0.331 2.099) 2.201 27.511 ( 0.183 0.106 1.576) 1.590 27.592 ( -0.561 -0.324 -2.314) 2.403 36.560 ( 0.369 0.213 5.614) 5.630 36.582 ( 2.411 1.392 4.511) 5.301 37.000 ( -1.548 -0.893 -16.279) 16.377 37.015 ( -0.212 -0.123 -17.060) 17.062 ======================= Grid point 387 (66/81) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.051 ( 3.983 2.707 1.829) 5.151 5.099 ( 0.795 -0.268 -0.120) 0.848 5.518 ( -7.726 -2.120 17.971) 19.676 5.675 ( 0.359 -2.267 12.249) 12.462 5.871 ( 1.243 -3.468 4.241) 5.618 5.914 ( 0.730 5.248 7.443) 9.137 6.300 ( 2.256 -1.290 13.334) 13.585 6.370 ( 4.163 5.350 20.565) 21.653 6.522 ( -3.886 -1.539 9.483) 10.363 6.634 ( 1.292 -1.553 5.499) 5.858 6.923 ( 4.082 4.148 7.283) 9.322 7.176 ( 0.657 -3.098 17.366) 17.652 7.242 ( 3.581 9.095 -7.794) 12.501 7.397 ( 13.174 2.250 6.869) 15.026 7.601 ( -1.320 0.910 -26.198) 26.247 7.818 ( 6.050 2.747 -19.883) 20.964 7.898 ( -1.237 -1.177 -18.740) 18.818 8.525 ( -8.906 -4.729 -20.496) 22.842 8.946 ( -2.615 -3.297 2.460) 4.874 9.022 ( 0.796 2.674 -2.014) 3.441 9.209 ( 1.428 0.958 -8.418) 8.591 9.416 ( 6.127 3.622 -3.276) 7.835 9.998 ( 10.523 6.062 12.348) 17.319 10.222 ( -16.716 -10.718 11.139) 22.768 10.465 ( -3.106 -1.414 -0.719) 3.487 10.710 ( -15.754 -9.051 0.228) 18.170 10.984 ( -3.421 -1.799 7.084) 8.070 11.124 ( -2.655 -0.895 12.814) 13.117 11.236 ( 1.760 1.743 7.439) 7.841 11.296 ( 0.064 -0.581 -4.149) 4.190 11.329 ( -0.067 0.773 4.486) 4.553 11.380 ( 2.458 -0.154 5.405) 5.940 11.496 ( -0.599 0.326 13.715) 13.732 11.527 ( -1.446 -1.850 5.019) 5.541 11.780 ( 1.555 0.330 0.606) 1.701 11.793 ( 2.035 2.009 5.560) 6.252 12.485 ( -0.987 -0.791 17.610) 17.655 12.955 ( -9.937 -5.154 -4.359) 12.013 13.205 ( 0.763 0.540 5.399) 5.480 13.322 ( 1.559 2.239 6.020) 6.609 13.475 ( 3.455 0.202 1.819) 3.909 13.590 ( 3.231 1.547 -4.679) 5.893 14.203 ( 1.429 1.117 2.963) 3.474 14.212 ( 1.430 0.326 3.854) 4.124 14.371 ( -1.911 -0.474 2.754) 3.385 14.477 ( 0.872 2.456 -6.856) 7.334 14.625 ( 7.823 2.306 -6.798) 10.618 15.018 ( -3.214 -1.593 -16.609) 16.992 18.212 ( -0.169 -0.097 -0.680) 0.707 18.220 ( -0.093 -0.116 -0.901) 0.913 18.267 ( 0.370 0.430 -3.116) 3.167 18.288 ( 1.088 0.474 -3.905) 4.081 22.799 ( 0.065 0.038 5.320) 5.321 22.840 ( -0.811 -0.469 2.789) 2.942 27.517 ( 0.375 0.216 1.244) 1.317 27.576 ( -0.841 -0.485 -1.584) 1.858 36.569 ( 0.472 0.275 5.176) 5.205 36.652 ( 3.864 2.227 1.149) 4.605 36.953 ( -2.800 -1.613 -13.751) 14.126 37.009 ( -0.277 -0.163 -16.752) 16.755 ======================= Grid point 388 (67/81) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.097 ( 0.294 0.831 3.866) 3.965 5.149 ( 3.306 0.580 0.666) 3.422 5.395 ( -4.506 -0.932 15.598) 16.263 5.667 ( 0.318 -0.899 8.991) 9.041 5.845 ( -0.284 -2.003 -1.712) 2.650 5.963 ( 0.398 2.475 3.377) 4.206 6.312 ( 1.130 -1.695 11.742) 11.918 6.463 ( -1.979 1.110 12.041) 12.253 6.478 ( 1.757 3.355 17.394) 17.802 6.641 ( 1.992 -2.729 15.867) 16.222 7.012 ( 1.807 4.303 3.677) 5.941 7.116 ( -2.576 -3.270 14.649) 15.229 7.383 ( 3.603 4.710 -16.776) 17.793 7.582 ( -1.823 -0.010 -16.429) 16.530 7.606 ( 9.024 0.163 7.687) 11.855 7.829 ( -1.900 0.729 -1.079) 2.304 8.039 ( 10.892 4.226 -24.499) 27.143 8.305 ( -11.337 -5.365 -23.808) 26.910 8.888 ( -0.062 -2.595 -1.253) 2.883 9.025 ( -2.771 1.649 -11.034) 11.496 9.285 ( 4.027 3.107 -2.833) 5.822 9.539 ( 3.882 2.034 -4.655) 6.393 9.906 ( -8.691 -6.591 10.177) 14.918 10.241 ( 8.898 6.293 17.113) 20.289 10.271 ( -7.506 -5.635 -3.516) 10.023 10.511 ( -6.553 -3.054 14.073) 15.821 10.943 ( -0.396 0.408 9.066) 9.084 11.015 ( -5.239 -3.363 11.184) 12.800 11.272 ( 0.932 1.011 6.463) 6.608 11.309 ( 0.271 -0.434 4.286) 4.316 11.341 ( 0.658 1.843 0.960) 2.179 11.403 ( 1.155 -1.362 10.224) 10.379 11.505 ( 0.986 -0.009 13.434) 13.470 11.516 ( -0.146 0.561 1.337) 1.457 11.792 ( 0.124 -0.034 -8.618) 8.619 11.833 ( 0.909 0.827 5.562) 5.696 12.496 ( 1.515 0.782 9.251) 9.406 12.769 ( -6.004 -3.392 2.453) 7.319 13.235 ( 0.916 1.227 2.706) 3.109 13.363 ( 0.768 1.586 5.513) 5.788 13.500 ( 0.805 -1.151 0.465) 1.479 13.623 ( 0.571 -0.247 -7.118) 7.145 14.220 ( 0.011 0.424 4.600) 4.619 14.247 ( 1.522 0.610 4.867) 5.135 14.336 ( -1.425 -0.476 2.849) 3.221 14.498 ( -0.077 0.990 -7.375) 7.442 14.723 ( 2.742 0.134 -7.202) 7.708 14.992 ( -0.054 0.363 -14.695) 14.700 18.210 ( -0.032 0.019 -0.384) 0.386 18.217 ( -0.057 -0.120 -0.963) 0.972 18.274 ( 0.107 0.211 -2.817) 2.827 18.305 ( 0.455 0.165 -4.198) 4.226 22.802 ( 0.165 0.095 4.902) 4.905 22.824 ( -0.496 -0.286 3.508) 3.554 27.525 ( 0.352 0.203 0.796) 0.894 27.560 ( -0.557 -0.322 -0.824) 1.046 36.577 ( 0.215 0.126 4.816) 4.822 36.734 ( 3.031 1.745 -2.744) 4.445 36.889 ( -2.562 -1.474 -10.511) 10.919 37.004 ( -0.128 -0.076 -16.496) 16.496 ======================= Grid point 393 (68/81) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.026 ( 2.490 4.073 1.940) 5.153 5.100 ( -0.034 0.514 -1.059) 1.178 5.540 ( -3.136 -8.274 17.831) 19.905 5.722 ( -1.081 2.372 15.650) 15.866 5.813 ( -1.151 -1.509 6.437) 6.711 5.927 ( 2.520 1.979 7.638) 8.283 6.296 ( -0.692 2.386 12.232) 12.482 6.341 ( 4.776 4.482 21.931) 22.888 6.566 ( -0.373 -3.574 7.967) 8.740 6.608 ( -2.210 0.638 4.583) 5.128 6.908 ( 4.223 5.118 8.040) 10.425 7.129 ( -0.333 2.088 -1.616) 2.661 7.244 ( 6.517 1.610 15.013) 16.446 7.332 ( 1.975 12.434 5.643) 13.797 7.616 ( 1.154 -0.244 -28.105) 28.129 7.774 ( 2.478 5.950 -26.371) 27.147 7.916 ( -1.844 -2.945 -17.224) 17.571 8.567 ( -4.440 -8.083 -17.742) 19.995 8.937 ( -1.925 -3.473 0.675) 4.028 9.070 ( 3.077 6.096 1.710) 7.039 9.184 ( -0.616 -2.416 -9.426) 9.750 9.370 ( 2.489 4.354 -3.703) 6.234 9.940 ( 5.561 9.627 11.019) 15.653 10.315 ( -10.620 -16.987 11.337) 23.018 10.474 ( 0.194 -0.442 -0.807) 0.940 10.825 ( -9.397 -15.949 -5.189) 19.225 11.002 ( -2.166 -3.918 7.791) 8.986 11.144 ( 1.205 0.651 12.640) 12.714 11.217 ( 1.314 1.524 7.761) 8.017 11.301 ( -0.770 -0.969 -5.097) 5.245 11.326 ( 0.455 0.969 5.679) 5.779 11.376 ( 0.796 2.572 3.800) 4.657 11.463 ( -1.963 -3.653 13.462) 14.087 11.562 ( -1.414 -1.558 7.081) 7.387 11.747 ( 0.214 0.415 5.317) 5.337 11.795 ( 2.090 3.181 3.070) 4.890 12.490 ( -1.589 -2.449 19.185) 19.406 13.016 ( -4.245 -8.612 -6.353) 11.513 13.176 ( -2.099 -3.148 6.477) 7.501 13.358 ( 4.331 1.409 5.354) 7.029 13.404 ( -0.652 5.582 3.320) 6.527 13.600 ( 3.336 5.939 -3.121) 7.493 14.195 ( 0.959 0.982 2.448) 2.806 14.203 ( 0.113 1.377 2.955) 3.262 14.386 ( -0.599 -1.828 3.347) 3.860 14.474 ( 3.872 2.645 -8.222) 9.465 14.573 ( 2.203 7.975 -5.558) 9.967 15.035 ( -2.505 -4.597 -17.229) 18.007 18.210 ( -0.207 -0.339 -0.709) 0.813 18.227 ( 0.145 0.343 -0.833) 0.912 18.259 ( 0.232 0.119 -3.357) 3.367 18.284 ( 0.582 1.181 -3.782) 4.005 22.798 ( 0.015 0.026 5.420) 5.420 22.844 ( -0.463 -0.803 2.584) 2.745 27.515 ( 0.192 0.332 1.351) 1.404 27.581 ( -0.472 -0.818 -1.800) 2.033 36.568 ( 0.345 0.595 5.259) 5.304 36.630 ( 2.036 3.531 2.221) 4.641 36.968 ( -1.464 -2.541 -14.553) 14.846 37.011 ( -0.159 -0.272 -16.839) 16.842 ======================= Grid point 394 (69/81) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.099 ( 2.045 1.105 3.260) 4.004 5.122 ( 1.109 4.176 2.128) 4.817 5.413 ( -2.903 -7.948 13.997) 16.356 5.708 ( -3.664 4.323 9.680) 11.217 5.801 ( 2.275 -3.048 1.139) 3.971 5.959 ( 0.934 -1.204 4.167) 4.437 6.302 ( -0.329 1.911 10.810) 10.982 6.470 ( 2.932 2.163 18.604) 18.957 6.540 ( -1.862 4.372 14.032) 14.815 6.591 ( 1.730 -0.127 8.257) 8.438 7.017 ( 2.855 3.436 7.316) 8.572 7.075 ( -2.059 -7.397 10.541) 13.041 7.421 ( 8.513 6.762 0.249) 10.874 7.465 ( 2.637 7.919 -1.664) 8.511 7.643 ( -2.126 2.417 -19.241) 19.509 7.866 ( 2.169 3.101 -4.224) 5.671 7.923 ( 5.009 4.282 -26.368) 27.179 8.389 ( -7.093 -9.372 -19.499) 22.768 8.852 ( -2.092 -4.645 -3.903) 6.417 9.127 ( -4.598 2.056 -10.395) 11.551 9.223 ( 6.953 3.505 -2.612) 8.213 9.462 ( 5.147 0.790 -2.126) 5.624 9.975 ( -10.564 -12.428 10.669) 19.490 10.160 ( 8.569 10.385 15.645) 20.641 10.345 ( -8.805 -11.200 -3.560) 14.685 10.615 ( -6.024 -0.976 5.747) 8.383 10.954 ( -0.678 -0.955 8.486) 8.566 11.109 ( -7.538 -0.764 15.533) 17.282 11.252 ( 3.131 -2.482 9.659) 10.453 11.296 ( 1.528 0.792 2.597) 3.116 11.334 ( -0.344 0.544 6.590) 6.621 11.391 ( -0.992 1.205 5.972) 6.173 11.442 ( 3.366 -2.792 12.997) 13.713 11.530 ( -0.905 0.384 -0.848) 1.298 11.746 ( 1.012 -3.183 2.209) 4.004 11.854 ( 1.116 3.414 -1.754) 3.998 12.475 ( 1.166 0.416 11.691) 11.757 12.836 ( -7.694 -7.295 -5.410) 11.903 13.131 ( 3.063 -7.682 6.917) 10.781 13.418 ( -1.053 5.369 5.133) 7.502 13.481 ( 4.018 3.973 1.003) 5.739 13.659 ( -1.559 3.479 -5.632) 6.801 14.216 ( 0.816 0.115 5.253) 5.317 14.237 ( 1.290 2.179 4.615) 5.264 14.348 ( -1.323 -2.018 3.777) 4.483 14.543 ( 0.059 3.522 -8.929) 9.598 14.675 ( 3.217 4.000 -7.408) 9.012 14.972 ( -0.146 -3.584 -15.076) 15.497 18.206 ( 0.068 -0.164 -0.164) 0.242 18.229 ( -0.506 0.730 -1.083) 1.401 18.267 ( 0.647 -0.378 -3.007) 3.099 18.301 ( 0.388 0.636 -4.165) 4.231 22.800 ( 0.132 0.159 5.032) 5.036 22.828 ( -0.540 -0.692 3.310) 3.424 27.523 ( 0.342 0.447 0.926) 1.084 27.564 ( -0.595 -0.778 -1.023) 1.417 36.579 ( 0.199 0.663 4.779) 4.829 36.706 ( 3.024 3.319 -1.443) 4.716 36.909 ( -2.372 -2.914 -11.550) 12.146 37.006 ( -0.166 -0.172 -16.551) 16.553 ======================= Grid point 395 (70/81) ======================= q-point: ( 0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.112 ( -1.386 1.132 6.085) 6.342 5.186 ( 0.643 2.832 0.981) 3.065 5.320 ( 0.985 -5.753 12.861) 14.123 5.702 ( -1.193 3.240 5.037) 6.106 5.828 ( 2.427 0.210 -1.124) 2.683 5.935 ( -0.165 -4.428 5.153) 6.796 6.335 ( 1.071 3.148 10.069) 10.604 6.454 ( -1.380 -2.879 17.698) 17.984 6.517 ( -4.304 3.989 7.153) 9.252 6.703 ( 0.944 6.476 18.613) 19.730 6.958 ( 2.003 -9.596 9.849) 13.896 7.070 ( 0.770 0.029 8.458) 8.493 7.484 ( -6.414 3.967 -13.326) 15.312 7.603 ( -2.028 1.883 -10.803) 11.152 7.626 ( 5.612 2.234 4.262) 7.392 7.874 ( -4.479 3.746 -5.243) 7.848 8.108 ( 5.599 1.411 -18.171) 19.067 8.194 ( -2.330 -4.735 -24.301) 24.868 8.826 ( 3.671 -3.443 -3.993) 6.424 9.063 ( -3.637 1.813 -13.311) 13.917 9.307 ( -1.289 -0.344 -0.638) 1.479 9.512 ( 3.388 -4.246 -2.331) 5.912 9.851 ( 1.130 1.130 5.882) 6.095 10.148 ( 3.191 -6.678 -3.949) 8.389 10.376 ( -2.072 6.008 16.441) 17.627 10.509 ( -3.363 3.424 15.933) 16.641 10.954 ( -1.740 -0.163 14.831) 14.934 10.999 ( -0.179 2.573 8.163) 8.561 11.273 ( 2.047 -3.655 8.179) 9.189 11.310 ( 0.563 -1.759 9.529) 9.707 11.332 ( -1.203 1.978 5.574) 6.035 11.412 ( 1.374 1.346 8.462) 8.678 11.461 ( 1.664 -3.903 9.910) 10.780 11.525 ( -0.841 1.272 0.298) 1.553 11.733 ( 2.521 -4.604 -2.222) 5.700 11.881 ( -1.672 2.683 -4.365) 5.389 12.505 ( -0.435 0.594 4.137) 4.202 12.714 ( 1.601 -2.387 1.845) 3.416 13.116 ( 5.050 -9.689 5.069) 12.045 13.420 ( -4.502 4.752 2.373) 6.963 13.580 ( -0.169 5.866 2.127) 6.242 13.638 ( -0.936 0.536 -5.770) 5.870 14.218 ( -0.302 -0.318 6.252) 6.268 14.267 ( -0.389 1.160 4.147) 4.323 14.320 ( 0.182 -0.904 3.642) 3.757 14.543 ( -3.296 3.280 -8.599) 9.776 14.742 ( 0.908 2.063 -8.065) 8.374 14.952 ( 1.880 -4.459 -13.877) 14.696 18.207 ( 0.052 -0.112 0.130) 0.179 18.228 ( -0.455 0.958 -1.386) 1.745 18.269 ( 0.224 -0.696 -2.691) 2.789 18.308 ( 0.030 0.108 -4.351) 4.353 22.804 ( -0.068 0.117 4.707) 4.709 22.819 ( 0.154 -0.267 3.783) 3.795 27.530 ( -0.148 0.256 0.575) 0.647 27.553 ( 0.201 -0.348 -0.518) 0.656 36.584 ( -0.277 0.477 4.559) 4.592 36.762 ( -0.602 1.057 -4.134) 4.309 36.861 ( 0.721 -1.263 -9.144) 9.259 37.004 ( 0.014 -0.020 -16.420) 16.420 ======================= Grid point 397 (71/81) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.085 ( -2.254 -0.039 3.584) 4.234 5.147 ( -4.541 -0.625 0.968) 4.685 5.387 ( 8.406 0.150 14.716) 16.949 5.726 ( -0.632 4.138 7.551) 8.634 5.834 ( 0.674 -6.285 3.671) 7.310 5.920 ( 0.725 1.837 4.247) 4.684 6.348 ( -1.335 -2.096 7.986) 8.364 6.411 ( -4.087 2.777 21.314) 21.880 6.507 ( -0.106 3.158 10.439) 10.907 6.661 ( -3.447 -3.519 10.009) 11.156 6.973 ( -1.703 2.039 11.388) 11.693 7.092 ( 5.685 -3.117 11.551) 13.246 7.355 ( -10.096 0.810 -5.795) 11.669 7.549 ( -6.618 -3.952 -4.881) 9.124 7.635 ( -4.612 2.860 -13.605) 14.648 7.843 ( -1.206 1.229 -4.872) 5.167 7.960 ( -8.032 -3.986 -26.690) 28.156 8.377 ( 12.359 2.279 -18.956) 22.743 8.876 ( 5.092 -2.592 -1.014) 5.803 9.076 ( -0.363 6.533 -10.642) 12.492 9.232 ( -4.483 -2.477 -2.674) 5.778 9.463 ( -3.855 -4.200 -4.419) 7.214 9.996 ( 15.604 1.548 9.879) 18.533 10.160 ( -13.022 -2.203 16.707) 21.297 10.344 ( 13.609 1.967 -4.040) 14.332 10.609 ( 4.148 5.328 6.431) 9.325 10.946 ( 1.673 0.534 10.094) 10.246 11.101 ( 3.865 5.417 14.878) 16.298 11.248 ( -0.708 -2.507 8.077) 8.487 11.293 ( -0.132 -1.475 1.725) 2.273 11.339 ( -0.751 1.932 6.285) 6.618 11.413 ( -1.230 -0.873 8.889) 9.016 11.441 ( 1.492 -4.419 9.600) 10.673 11.530 ( 0.497 1.151 1.563) 2.004 11.743 ( 2.315 -2.491 1.838) 3.865 11.851 ( -3.610 0.931 -1.944) 4.204 12.476 ( -0.727 -0.908 11.673) 11.731 12.835 ( 9.631 3.150 -3.402) 10.689 13.125 ( 5.419 -6.031 4.937) 9.493 13.378 ( -4.464 3.383 1.041) 5.697 13.529 ( -5.427 -1.711 4.953) 7.545 13.664 ( -1.944 2.673 -4.828) 5.851 14.210 ( -0.320 -0.253 4.194) 4.214 14.240 ( -2.447 -0.295 5.093) 5.658 14.342 ( 2.211 0.496 3.925) 4.532 14.514 ( -3.482 2.460 -8.330) 9.358 14.713 ( -5.074 -1.917 -8.162) 9.800 14.964 ( 3.554 -1.311 -14.928) 15.401 18.206 ( 0.118 -0.130 -0.215) 0.277 18.230 ( -0.418 0.786 -1.000) 1.339 18.263 ( 0.003 -0.640 -3.020) 3.087 18.302 ( -0.716 -0.120 -4.186) 4.249 22.800 ( -0.203 -0.035 5.032) 5.036 22.828 ( 0.869 0.121 3.309) 3.424 27.523 ( -0.558 -0.072 0.926) 1.084 27.564 ( 0.972 0.126 -1.023) 1.417 36.579 ( -0.674 0.161 4.780) 4.830 36.706 ( -4.389 -0.964 -1.446) 4.720 36.909 ( 3.711 0.602 -11.547) 12.144 37.006 ( 0.232 0.056 -16.553) 16.554 ======================= Grid point 402 (72/81) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.137 ( 2.324 2.741 9.089) 9.774 5.199 ( -0.445 3.473 2.657) 4.396 5.268 ( -1.903 -6.772 8.343) 10.912 5.744 ( -0.307 -0.786 -7.356) 7.404 5.811 ( 0.093 3.807 9.910) 10.616 5.894 ( -0.758 -4.355 6.230) 7.639 6.359 ( 0.178 3.325 9.886) 10.432 6.430 ( -0.318 -3.581 12.416) 12.925 6.644 ( 9.607 4.194 14.078) 17.552 6.678 ( -3.817 8.355 7.820) 12.064 6.879 ( -5.310 -11.505 11.828) 17.334 7.067 ( 0.969 1.152 17.120) 17.186 7.539 ( 7.327 6.088 -3.325) 10.090 7.596 ( -1.557 4.091 -9.464) 10.427 7.659 ( -1.475 -1.619 -7.922) 8.219 7.946 ( 4.667 4.240 -8.313) 10.433 8.034 ( 0.561 7.078 -20.526) 21.719 8.197 ( -4.500 -10.366 -17.276) 20.643 8.781 ( -2.113 -2.712 -5.395) 6.398 9.094 ( 0.054 -1.813 -14.682) 14.794 9.320 ( 3.624 4.626 0.241) 5.881 9.439 ( -2.805 -3.270 -0.049) 4.309 9.872 ( 0.608 2.429 2.451) 3.504 10.074 ( -6.806 -12.414 -4.998) 15.014 10.415 ( 6.520 12.061 17.060) 21.887 10.588 ( -1.770 -3.707 10.315) 11.103 10.956 ( 1.620 1.477 18.615) 18.744 11.082 ( -1.676 -3.570 17.751) 18.184 11.138 ( -3.840 -4.887 9.927) 11.712 11.311 ( 0.751 0.720 8.720) 8.782 11.380 ( 1.979 1.511 6.734) 7.180 11.391 ( -1.604 1.294 7.214) 7.503 11.425 ( 0.102 -1.056 8.120) 8.189 11.559 ( 1.635 2.976 -2.638) 4.300 11.668 ( -2.480 -4.564 0.591) 5.228 11.910 ( 1.211 2.035 -7.369) 7.740 12.520 ( 2.779 4.529 2.635) 5.931 12.684 ( -5.077 -8.305 -4.854) 10.877 13.010 ( -1.815 -3.586 10.919) 11.635 13.505 ( 4.750 4.330 -5.713) 8.599 13.585 ( -0.437 5.065 5.948) 7.825 13.662 ( -1.303 -3.617 -1.398) 4.091 14.219 ( 0.411 0.318 7.422) 7.440 14.277 ( 0.953 1.885 4.034) 4.553 14.313 ( -0.733 -1.529 4.032) 4.374 14.591 ( 1.902 1.738 -9.494) 9.838 14.768 ( 1.034 4.803 -9.790) 10.954 14.885 ( -2.040 -4.995 -12.884) 13.968 18.206 ( 0.025 0.036 0.511) 0.512 18.243 ( 0.226 0.625 -1.663) 1.791 18.257 ( -0.099 -0.464 -2.639) 2.681 18.308 ( 0.052 0.157 -4.483) 4.486 22.805 ( 0.197 0.340 4.592) 4.609 22.816 ( -0.333 -0.576 3.932) 3.988 27.533 ( 0.352 0.609 0.426) 0.823 27.549 ( -0.436 -0.755 -0.332) 0.933 36.590 ( 0.211 0.364 4.346) 4.367 36.771 ( 1.981 3.439 -4.668) 6.127 36.849 ( -1.919 -3.332 -8.521) 9.348 37.003 ( -0.044 -0.074 -16.384) 16.384 ======================= Grid point 440 (73/81) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.004 ( 0.000 -0.000 -4.412) 4.412 5.004 ( 0.000 -0.000 4.412) 4.412 5.931 ( 0.000 0.000 -1.776) 1.776 5.931 ( 0.000 0.000 -1.776) 1.776 5.931 ( -0.000 0.000 1.776) 1.776 5.931 ( -0.000 0.000 1.776) 1.776 6.654 ( 0.000 -0.000 -3.828) 3.828 6.654 ( 0.000 0.000 -3.828) 3.828 6.654 ( 0.000 0.000 3.828) 3.828 6.654 ( 0.000 -0.000 3.828) 3.828 6.990 ( 0.000 0.000 -24.675) 24.675 6.990 ( -0.000 0.000 -24.675) 24.675 6.990 ( 0.000 0.000 24.675) 24.675 6.990 ( 0.000 0.000 24.675) 24.675 7.365 ( 0.000 0.000 -27.254) 27.254 7.365 ( 0.000 0.000 27.254) 27.254 8.120 ( -0.000 0.000 -37.399) 37.399 8.120 ( 0.000 0.000 37.399) 37.399 9.096 ( -0.000 0.000 -6.664) 6.664 9.096 ( 0.000 -0.000 -6.664) 6.664 9.096 ( 0.000 -0.000 6.664) 6.664 9.096 ( 0.000 0.000 6.664) 6.664 10.142 ( 0.000 0.000 -21.595) 21.595 10.142 ( 0.000 0.000 21.595) 21.595 10.923 ( -0.000 0.000 -13.432) 13.432 10.923 ( -0.000 0.000 13.432) 13.432 11.281 ( 0.000 -0.000 -5.856) 5.856 11.281 ( 0.000 0.000 -5.856) 5.856 11.281 ( 0.000 -0.000 5.856) 5.856 11.281 ( 0.000 0.000 5.856) 5.856 11.295 ( -0.000 0.000 -4.875) 4.875 11.295 ( 0.000 0.000 4.875) 4.875 11.742 ( 0.000 0.000 -4.755) 4.755 11.742 ( 0.000 0.000 -4.755) 4.755 11.742 ( 0.000 0.000 4.755) 4.755 11.742 ( 0.000 0.000 4.755) 4.755 13.032 ( 0.000 0.000 -16.874) 16.874 13.032 ( 0.000 0.000 16.874) 16.874 13.357 ( 0.000 0.000 -2.576) 2.576 13.357 ( 0.000 0.000 -2.576) 2.576 13.357 ( -0.000 0.000 2.576) 2.576 13.357 ( 0.000 -0.000 2.576) 2.576 14.211 ( 0.000 0.000 -2.863) 2.863 14.211 ( -0.000 -0.000 -2.863) 2.863 14.211 ( -0.000 0.000 2.863) 2.863 14.211 ( 0.000 -0.000 2.863) 2.863 14.768 ( 0.000 0.000 -17.923) 17.923 14.768 ( 0.000 -0.000 17.923) 17.923 18.214 ( 0.000 0.000 -0.613) 0.613 18.214 ( 0.000 -0.000 -0.613) 0.613 18.214 ( 0.000 0.000 0.613) 0.613 18.214 ( -0.000 0.000 0.613) 0.613 22.869 ( 0.000 0.000 -1.359) 1.359 22.869 ( -0.000 0.000 1.359) 1.359 27.549 ( 0.000 0.000 -2.270) 2.270 27.549 ( 0.000 0.000 2.270) 2.270 36.728 ( 0.000 0.000 -11.434) 11.434 36.728 ( 0.000 0.000 -11.434) 11.434 36.728 ( 0.000 0.000 11.434) 11.434 36.728 ( -0.000 0.000 11.434) 11.434 ======================= Grid point 442 (74/81) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.025 ( 1.881 1.085 -3.418) 4.050 5.025 ( 1.881 1.085 3.418) 4.050 5.881 ( -4.422 -2.445 -0.712) 5.103 5.881 ( -4.422 -2.445 0.712) 5.103 5.927 ( -0.363 -0.322 -0.260) 0.550 5.927 ( -0.363 -0.322 0.260) 0.550 6.627 ( -2.400 -1.663 -6.695) 7.304 6.627 ( -2.400 -1.663 6.695) 7.304 6.673 ( 1.737 1.300 -4.306) 4.822 6.673 ( 1.737 1.300 4.306) 4.822 7.029 ( 3.537 2.382 -18.686) 19.166 7.029 ( 3.537 2.382 18.686) 19.166 7.058 ( 6.008 3.119 -23.879) 24.820 7.058 ( 6.008 3.119 23.879) 24.820 7.413 ( 4.044 2.331 -21.553) 22.053 7.413 ( 4.044 2.331 21.553) 22.053 8.080 ( -3.319 -1.924 -34.995) 35.205 8.080 ( -3.319 -1.924 34.995) 35.205 9.063 ( -3.021 -1.894 -5.061) 6.191 9.063 ( -3.021 -1.894 5.061) 6.191 9.134 ( 3.304 2.078 -7.733) 8.663 9.134 ( 3.304 2.078 7.733) 8.663 10.208 ( 5.836 3.353 -20.164) 21.258 10.208 ( 5.836 3.353 20.164) 21.258 10.802 ( -11.366 -6.547 -13.887) 19.102 10.802 ( -11.366 -6.547 13.887) 19.102 11.202 ( -4.784 -2.806 -5.422) 7.756 11.202 ( -4.784 -2.806 5.422) 7.756 11.302 ( 1.553 1.105 -4.940) 5.295 11.302 ( 1.553 1.105 4.940) 5.295 11.319 ( 1.731 0.762 -3.050) 3.589 11.319 ( 1.731 0.762 3.050) 3.589 11.732 ( -1.355 0.013 -4.274) 4.484 11.732 ( -1.355 0.013 4.274) 4.484 11.759 ( 1.251 -0.011 -3.708) 3.914 11.759 ( 1.251 -0.011 3.708) 3.914 12.938 ( -6.790 -4.038 -15.095) 17.037 12.938 ( -6.790 -4.038 15.095) 17.037 13.342 ( -1.239 0.105 -3.591) 3.800 13.342 ( -1.239 0.105 3.591) 3.800 13.432 ( 5.015 2.152 -3.553) 6.512 13.432 ( 5.015 2.152 3.553) 6.512 14.244 ( 2.451 1.745 -5.454) 6.229 14.244 ( 2.451 1.745 5.454) 6.229 14.259 ( 4.202 2.141 -6.456) 7.996 14.259 ( 4.202 2.141 6.456) 7.996 14.737 ( -2.383 -1.383 -16.863) 17.087 14.737 ( -2.383 -1.383 16.863) 17.087 18.213 ( -0.054 -0.029 -0.581) 0.584 18.213 ( -0.054 -0.029 0.581) 0.585 18.222 ( 0.649 0.372 -0.679) 1.010 18.222 ( 0.649 0.372 0.679) 1.010 22.866 ( -0.229 -0.133 -1.228) 1.256 22.866 ( -0.229 -0.133 1.228) 1.256 27.548 ( -0.110 -0.063 -2.064) 2.068 27.548 ( -0.110 -0.063 2.064) 2.068 36.729 ( 0.053 0.031 -11.259) 11.259 36.729 ( 0.053 0.031 11.259) 11.259 36.732 ( 0.273 0.158 -10.352) 10.357 36.732 ( 0.273 0.158 10.352) 10.357 ======================= Grid point 444 (75/81) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.081 ( 3.124 1.782 -1.262) 3.811 5.081 ( 3.124 1.782 1.262) 3.811 5.763 ( -6.163 -3.176 -5.528) 8.867 5.763 ( -6.163 -3.176 5.528) 8.867 5.913 ( -0.646 -0.784 -3.466) 3.612 5.913 ( -0.646 -0.784 3.466) 3.612 6.563 ( -2.538 -2.193 -8.122) 8.787 6.563 ( -2.538 -2.193 8.122) 8.787 6.735 ( 3.240 2.790 -6.033) 7.394 6.735 ( 3.240 2.790 6.033) 7.394 7.115 ( 2.430 2.811 -11.165) 11.767 7.115 ( 2.430 2.811 11.165) 11.767 7.211 ( 8.197 2.992 -24.095) 25.626 7.211 ( 8.197 2.992 24.095) 25.626 7.533 ( 6.964 4.398 -9.940) 12.909 7.533 ( 6.964 4.398 9.940) 12.909 7.995 ( -4.064 -2.643 -27.432) 27.857 7.995 ( -4.064 -2.643 27.432) 27.857 8.970 ( -4.866 -3.348 -3.348) 6.789 8.970 ( -4.866 -3.348 3.348) 6.789 9.234 ( 5.260 3.926 -8.977) 11.120 9.234 ( 5.260 3.926 8.977) 11.120 10.341 ( 1.179 0.023 -11.250) 11.312 10.341 ( 1.179 0.023 11.250) 11.312 10.502 ( -9.963 -5.278 -16.645) 20.104 10.502 ( -9.963 -5.278 16.645) 20.104 11.133 ( -1.087 -0.961 -8.046) 8.176 11.133 ( -1.087 -0.961 8.046) 8.176 11.329 ( -0.056 1.424 -1.643) 2.175 11.329 ( -0.056 1.424 1.643) 2.175 11.369 ( 3.497 0.186 -2.658) 4.397 11.369 ( 3.497 0.186 2.658) 4.397 11.675 ( -5.771 -1.056 -6.473) 8.736 11.675 ( -5.771 -1.056 6.473) 8.736 11.777 ( 1.636 -0.637 -5.607) 5.876 11.777 ( 1.636 -0.637 5.607) 5.876 12.792 ( -5.615 -3.920 -11.848) 13.684 12.792 ( -5.615 -3.920 11.848) 13.684 13.341 ( -0.591 3.424 -6.024) 6.954 13.341 ( -0.591 3.424 6.024) 6.954 13.499 ( 2.614 -1.948 -3.655) 4.897 13.499 ( 2.614 -1.948 3.655) 4.897 14.300 ( 1.973 1.685 -6.423) 6.927 14.300 ( 1.973 1.685 6.423) 6.927 14.345 ( 2.652 1.478 -7.630) 8.212 14.345 ( 2.652 1.478 7.630) 8.212 14.702 ( 0.016 -0.153 -13.186) 13.187 14.702 ( 0.016 -0.153 13.186) 13.187 18.212 ( -0.091 -0.042 -0.449) 0.460 18.212 ( -0.091 -0.042 0.449) 0.460 18.238 ( 0.755 0.426 -0.809) 1.185 18.238 ( 0.755 0.426 0.809) 1.185 22.860 ( -0.286 -0.165 -0.885) 0.945 22.860 ( -0.286 -0.165 0.885) 0.945 27.545 ( -0.136 -0.079 -1.515) 1.523 27.545 ( -0.136 -0.079 1.515) 1.523 36.730 ( 0.066 0.038 -10.854) 10.854 36.730 ( 0.066 0.038 10.854) 10.854 36.739 ( 0.339 0.195 -7.427) 7.437 36.739 ( 0.339 0.195 7.427) 7.437 ======================= Grid point 446 (76/81) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.142 ( 1.979 1.107 -1.150) 2.542 5.142 ( 1.979 1.107 1.150) 2.542 5.654 ( -3.309 -1.656 -9.134) 9.855 5.654 ( -3.309 -1.656 9.134) 9.855 5.898 ( -0.339 -0.456 -6.084) 6.110 5.898 ( -0.339 -0.456 6.084) 6.110 6.519 ( -0.911 -0.917 -6.269) 6.401 6.519 ( -0.911 -0.917 6.269) 6.401 6.808 ( 2.124 1.808 -10.431) 10.798 6.808 ( 2.124 1.808 10.431) 10.798 7.140 ( -0.459 0.444 -5.790) 5.825 7.140 ( -0.459 0.444 5.790) 5.825 7.339 ( 4.131 1.036 -24.668) 25.032 7.339 ( 4.131 1.036 24.668) 25.032 7.691 ( 5.168 4.506 -9.252) 11.515 7.691 ( 5.168 4.506 9.252) 11.516 7.913 ( -2.495 -2.636 -13.358) 13.843 7.913 ( -2.495 -2.636 13.358) 13.843 8.872 ( -2.917 -1.995 -2.692) 4.443 8.872 ( -2.917 -1.995 2.692) 4.443 9.356 ( 4.070 3.257 -8.797) 10.225 9.356 ( 4.070 3.257 8.797) 10.225 10.111 ( -9.442 -6.031 -9.805) 14.888 10.111 ( -9.442 -6.031 9.805) 14.888 10.562 ( 4.051 2.516 -8.748) 9.963 10.562 ( 4.051 2.516 8.748) 9.963 11.153 ( 2.709 1.191 -10.477) 10.887 11.153 ( 2.709 1.191 10.477) 10.887 11.323 ( -1.638 0.079 -5.832) 6.058 11.323 ( -1.638 0.079 5.832) 6.058 11.409 ( 1.260 -1.035 -8.047) 8.210 11.409 ( 1.260 -1.035 8.047) 8.210 11.559 ( -4.614 -1.047 -4.232) 6.348 11.559 ( -4.614 -1.047 4.232) 6.348 11.796 ( 0.797 -0.028 -7.822) 7.862 11.796 ( 0.797 -0.028 7.822) 7.862 12.705 ( -1.796 -1.537 -8.893) 9.202 12.705 ( -1.796 -1.537 8.893) 9.202 13.378 ( -0.071 4.239 -9.045) 9.989 13.378 ( -0.071 4.239 9.045) 9.989 13.489 ( 0.492 -3.821 -4.554) 5.965 13.489 ( 0.492 -3.821 4.554) 5.965 14.333 ( 0.813 0.461 -4.287) 4.388 14.333 ( 0.813 0.461 4.287) 4.388 14.362 ( -0.428 0.211 -4.060) 4.088 14.362 ( -0.428 0.211 4.060) 4.088 14.728 ( 1.475 0.677 -9.221) 9.362 14.728 ( 1.475 0.677 9.221) 9.362 18.210 ( -0.049 -0.021 -0.176) 0.184 18.210 ( -0.049 -0.021 0.176) 0.184 18.250 ( 0.318 0.177 -0.907) 0.977 18.250 ( 0.318 0.177 0.907) 0.977 22.855 ( -0.127 -0.073 -0.490) 0.512 22.855 ( -0.127 -0.073 0.490) 0.512 27.543 ( -0.060 -0.035 -0.873) 0.876 27.543 ( -0.060 -0.035 0.873) 0.876 36.731 ( 0.029 0.017 -10.518) 10.518 36.731 ( 0.029 0.017 10.518) 10.518 36.744 ( 0.150 0.087 -3.794) 3.798 36.744 ( 0.150 0.087 3.794) 3.798 ======================= Grid point 456 (77/81) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 1.788 3.119 -1.951) 4.090 5.064 ( 1.788 3.119 1.951) 4.090 5.787 ( -3.780 -7.036 -7.280) 10.807 5.787 ( -3.780 -7.036 7.280) 10.807 5.926 ( -0.278 0.046 -5.727) 5.734 5.926 ( -0.278 0.046 5.727) 5.734 6.587 ( -2.015 -2.178 -10.427) 10.841 6.587 ( -2.015 -2.178 10.427) 10.841 6.706 ( 2.093 2.078 -4.821) 5.652 6.706 ( 2.093 2.078 4.821) 5.652 7.094 ( 2.889 3.159 -13.338) 14.008 7.094 ( 2.889 3.159 13.338) 14.008 7.175 ( 4.164 9.360 -23.502) 25.637 7.175 ( 4.164 9.360 23.502) 25.637 7.493 ( 3.637 6.036 -13.092) 14.868 7.493 ( 3.637 6.036 13.092) 14.868 8.019 ( -2.571 -4.205 -30.331) 30.729 8.019 ( -2.571 -4.205 30.331) 30.729 9.003 ( -3.038 -4.413 -6.223) 8.211 9.003 ( -3.038 -4.413 6.223) 8.211 9.196 ( 3.168 4.272 -8.877) 10.349 9.196 ( 3.168 4.272 8.877) 10.349 10.316 ( 3.497 6.529 -15.459) 17.142 10.316 ( 3.497 6.529 15.459) 17.142 10.577 ( -8.549 -15.117 -15.007) 22.953 10.577 ( -8.549 -15.117 15.007) 22.953 11.143 ( -1.525 -2.216 -6.958) 7.460 11.143 ( -1.525 -2.216 6.959) 7.460 11.326 ( 1.754 1.086 -3.031) 3.667 11.326 ( 1.754 1.086 3.031) 3.667 11.360 ( 0.644 3.508 -2.626) 4.429 11.360 ( 0.644 3.508 2.626) 4.429 11.711 ( 1.354 -3.442 -7.963) 8.780 11.711 ( 1.354 -3.442 7.963) 8.780 11.756 ( -2.849 0.031 -6.960) 7.521 11.756 ( -2.849 0.031 6.960) 7.521 12.822 ( -4.751 -7.312 -12.976) 15.634 12.822 ( -4.751 -7.312 12.976) 15.634 13.316 ( 0.959 -2.243 -6.331) 6.785 13.316 ( 0.959 -2.243 6.331) 6.785 13.516 ( 1.226 5.583 -5.247) 7.759 13.516 ( 1.226 5.583 5.247) 7.759 14.296 ( 2.481 2.826 -7.297) 8.210 14.296 ( 2.481 2.827 7.297) 8.210 14.319 ( 1.584 3.615 -7.660) 8.617 14.319 ( 1.584 3.615 7.660) 8.617 14.702 ( -1.035 -1.620 -14.531) 14.657 14.702 ( -1.035 -1.620 14.531) 14.657 18.214 ( 0.040 0.052 -1.179) 1.181 18.214 ( 0.040 0.052 1.179) 1.181 18.232 ( 0.374 0.665 -1.373) 1.571 18.232 ( 0.374 0.665 1.373) 1.571 22.862 ( -0.172 -0.297 -0.990) 1.048 22.862 ( -0.172 -0.297 0.990) 1.048 27.546 ( -0.082 -0.142 -1.684) 1.692 27.546 ( -0.082 -0.142 1.684) 1.692 36.730 ( 0.060 0.105 -10.735) 10.736 36.730 ( 0.060 0.105 10.735) 10.736 36.736 ( 0.183 0.317 -8.166) 8.174 36.736 ( 0.183 0.317 8.166) 8.174 ======================= Grid point 458 (78/81) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.133 ( 2.229 3.843 -0.645) 4.489 5.133 ( 2.229 3.843 0.645) 4.489 5.653 ( -3.287 -7.803 -9.314) 12.588 5.653 ( -3.287 -7.803 9.314) 12.588 5.919 ( -1.021 0.943 -6.120) 6.276 5.919 ( -1.021 0.943 6.120) 6.276 6.541 ( -1.944 0.155 -9.416) 9.616 6.541 ( -1.944 0.155 9.416) 9.616 6.768 ( 3.385 0.488 -5.463) 6.445 6.768 ( 3.385 0.488 5.463) 6.445 7.136 ( 0.650 -0.870 -11.601) 11.652 7.136 ( 0.650 -0.870 11.601) 11.652 7.342 ( 3.419 10.946 -21.899) 24.720 7.342 ( 3.419 10.946 21.899) 24.720 7.643 ( 7.050 6.334 -8.149) 12.499 7.643 ( 7.050 6.334 8.149) 12.499 7.925 ( -3.826 -4.649 -21.700) 22.520 7.925 ( -3.826 -4.649 21.700) 22.520 8.899 ( -3.831 -4.018 -8.340) 10.019 8.899 ( -3.831 -4.018 8.340) 10.019 9.308 ( 5.295 3.613 -8.221) 10.424 9.308 ( 5.295 3.613 8.221) 10.424 10.178 ( -10.487 -13.896 -9.175) 19.679 10.178 ( -10.487 -13.896 9.175) 19.679 10.543 ( 4.328 6.897 -12.944) 15.292 10.543 ( 4.328 6.897 12.944) 15.292 11.138 ( 1.344 2.245 -10.482) 10.804 11.138 ( 1.344 2.245 10.482) 10.804 11.362 ( 0.089 1.188 -5.765) 5.887 11.362 ( 0.089 1.188 5.765) 5.887 11.393 ( 0.112 3.031 -3.276) 4.465 11.393 ( 0.112 3.031 3.276) 4.465 11.649 ( -7.326 -2.112 -7.713) 10.845 11.649 ( -7.326 -2.112 7.713) 10.845 11.725 ( 3.936 -5.017 -9.883) 11.762 11.725 ( 3.936 -5.017 9.883) 11.762 12.690 ( -2.494 -6.214 -9.103) 11.300 12.690 ( -2.494 -6.214 9.103) 11.300 13.326 ( 2.624 -3.717 -10.401) 11.353 13.326 ( 2.624 -3.717 10.401) 11.353 13.563 ( -2.129 7.050 -4.836) 8.811 13.563 ( -2.129 7.050 4.836) 8.811 14.339 ( 0.109 1.771 -4.282) 4.635 14.339 ( 0.109 1.771 4.282) 4.635 14.369 ( 1.100 1.318 -6.314) 6.544 14.369 ( 1.100 1.319 6.314) 6.544 14.695 ( 1.469 -0.499 -10.354) 10.470 14.695 ( 1.469 -0.499 10.354) 10.470 18.215 ( -0.154 0.378 -0.821) 0.917 18.215 ( -0.154 0.378 0.821) 0.917 18.243 ( 0.491 0.082 -1.276) 1.370 18.243 ( 0.491 0.082 1.276) 1.370 22.857 ( -0.157 -0.205 -0.604) 0.657 22.857 ( -0.157 -0.205 0.604) 0.657 27.543 ( -0.074 -0.097 -1.050) 1.057 27.543 ( -0.074 -0.097 1.050) 1.057 36.732 ( 0.011 0.159 -10.231) 10.232 36.732 ( 0.011 0.159 10.231) 10.232 36.742 ( 0.210 0.131 -4.736) 4.742 36.742 ( 0.210 0.131 4.736) 4.742 ======================= Grid point 460 (79/81) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.179 ( -1.441 2.590 -1.515) 3.328 5.179 ( -1.441 2.590 1.515) 3.328 5.577 ( 2.846 -5.313 -11.552) 13.030 5.577 ( 2.846 -5.313 11.552) 13.030 5.916 ( -0.684 1.548 -4.724) 5.018 5.916 ( -0.684 1.548 4.724) 5.018 6.531 ( -0.639 1.914 -6.714) 7.010 6.531 ( -0.639 1.914 6.714) 7.010 6.797 ( 0.733 -2.443 -10.938) 11.231 6.797 ( 0.733 -2.443 10.938) 11.231 7.125 ( 0.295 -1.254 -9.608) 9.694 7.125 ( 0.295 -1.254 9.608) 9.694 7.445 ( -3.605 9.017 -19.143) 21.465 7.445 ( -3.605 9.017 19.143) 21.465 7.741 ( -3.784 -0.643 -11.668) 12.283 7.741 ( -3.784 -0.643 11.668) 12.283 7.863 ( 4.450 -1.884 -11.041) 12.052 7.863 ( 4.450 -1.884 11.041) 12.052 8.844 ( 0.870 -0.973 -6.684) 6.810 8.844 ( 0.870 -0.973 6.684) 6.810 9.377 ( -0.700 -0.708 -7.142) 7.211 9.377 ( -0.700 -0.708 7.142) 7.211 10.002 ( 3.416 -4.723 -8.382) 10.209 10.002 ( 3.416 -4.723 8.382) 10.209 10.621 ( -1.911 3.090 -4.523) 5.802 10.621 ( -1.911 3.090 4.523) 5.802 11.195 ( -0.945 2.602 -7.878) 8.350 11.195 ( -0.945 2.602 7.878) 8.350 11.335 ( -2.618 1.712 -6.969) 7.638 11.335 ( -2.618 1.712 6.969) 7.638 11.438 ( 1.480 4.198 -8.939) 9.985 11.438 ( 1.480 4.198 8.939) 9.985 11.533 ( -2.514 -2.033 -2.414) 4.035 11.533 ( -2.514 -2.033 2.414) 4.035 11.743 ( 3.977 -5.452 -10.328) 12.337 11.743 ( 3.977 -5.452 10.328) 12.337 12.644 ( 2.853 -4.145 -7.404) 8.952 12.644 ( 2.853 -4.145 7.404) 8.952 13.313 ( 0.793 -4.412 -11.325) 12.180 13.313 ( 0.793 -4.412 11.325) 12.180 13.594 ( -2.671 7.482 -1.771) 8.139 13.594 ( -2.671 7.482 1.771) 8.139 14.350 ( -0.127 1.123 -1.106) 1.581 14.350 ( -0.127 1.123 1.106) 1.581 14.372 ( -1.598 0.949 -6.675) 6.929 14.372 ( -1.598 0.949 6.675) 6.929 14.714 ( 1.360 -1.957 -7.307) 7.686 14.714 ( 1.360 -1.957 7.307) 7.686 18.215 ( -0.317 0.532 -0.298) 0.687 18.215 ( -0.317 0.532 0.298) 0.687 18.248 ( 0.235 -0.391 -1.227) 1.309 18.248 ( 0.235 -0.391 1.227) 1.309 22.854 ( 0.033 -0.058 -0.326) 0.333 22.854 ( 0.033 -0.058 0.326) 0.333 27.542 ( 0.016 -0.027 -0.590) 0.591 27.542 ( 0.016 -0.027 0.590) 0.591 36.733 ( -0.086 0.149 -10.169) 10.171 36.733 ( -0.086 0.149 10.169) 10.171 36.744 ( 0.039 -0.067 -2.578) 2.579 36.744 ( 0.039 -0.067 2.578) 2.579 ======================= Grid point 464 (80/81) ======================= q-point: (-0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.134 ( -4.464 -0.041 -1.607) 4.745 5.134 ( -4.464 -0.041 1.607) 4.745 5.649 ( 8.308 -0.803 -10.501) 13.414 5.649 ( 8.308 -0.803 10.501) 13.414 5.923 ( -0.181 1.095 -3.693) 3.856 5.923 ( -0.181 1.095 3.693) 3.856 6.551 ( 1.012 1.430 -8.524) 8.702 6.551 ( 1.012 1.430 8.524) 8.702 6.755 ( -2.288 -2.172 -7.329) 7.980 6.755 ( -2.288 -2.172 7.329) 7.980 7.125 ( -0.173 -0.259 -6.577) 6.584 7.125 ( -0.173 -0.259 6.577) 6.584 7.365 ( -11.274 1.235 -19.056) 22.176 7.365 ( -11.274 1.235 19.056) 22.176 7.621 ( -7.152 -1.769 -9.072) 11.687 7.621 ( -7.152 -1.769 9.072) 11.687 7.939 ( 4.693 0.063 -20.807) 21.330 7.939 ( 4.693 0.063 20.807) 21.330 8.906 ( 5.570 1.003 -5.014) 7.561 8.906 ( 5.570 1.003 5.014) 7.561 9.292 ( -5.681 -1.939 -7.830) 9.866 9.292 ( -5.681 -1.939 7.830) 9.866 10.187 ( 17.359 1.585 -8.862) 19.554 10.187 ( 17.359 1.585 8.862) 19.554 10.539 ( -8.443 -0.102 -13.037) 15.533 10.539 ( -8.443 -0.102 13.037) 15.533 11.143 ( -2.670 -0.373 -10.529) 10.869 11.143 ( -2.670 -0.373 10.529) 10.869 11.337 ( -0.941 1.622 -1.440) 2.365 11.337 ( -0.941 1.622 1.441) 2.365 11.432 ( -3.930 -0.399 -4.748) 6.176 11.432 ( -3.930 -0.399 4.748) 6.176 11.601 ( 6.185 4.641 -8.804) 11.718 11.601 ( 6.185 4.641 8.804) 11.718 11.753 ( 2.880 -4.209 -8.558) 9.962 11.753 ( 2.880 -4.209 8.558) 9.962 12.699 ( 6.809 -1.448 -9.503) 11.780 12.699 ( 6.809 -1.448 9.503) 11.780 13.293 ( 0.782 -1.502 -8.961) 9.120 13.293 ( 0.782 -1.502 8.961) 9.120 13.593 ( -4.065 2.924 -2.148) 5.449 13.593 ( -4.065 2.924 2.148) 5.449 14.340 ( -2.773 1.088 -7.242) 7.831 14.340 ( -2.773 1.088 7.242) 7.831 14.359 ( -0.500 -0.158 -5.613) 5.638 14.359 ( -0.500 -0.158 5.613) 5.638 14.699 ( -0.349 -1.684 -8.933) 9.097 14.699 ( -0.349 -1.684 8.933) 9.097 18.215 ( -0.251 0.328 -1.006) 1.088 18.215 ( -0.251 0.328 1.006) 1.088 18.243 ( -0.317 -0.389 -1.512) 1.593 18.243 ( -0.317 -0.389 1.512) 1.593 22.857 ( 0.256 0.033 -0.604) 0.657 22.857 ( 0.256 0.033 0.604) 0.657 27.543 ( 0.121 0.016 -1.050) 1.057 27.543 ( 0.121 0.016 1.050) 1.057 36.732 ( -0.143 0.070 -10.365) 10.367 36.732 ( -0.143 0.070 10.365) 10.367 36.742 ( -0.218 -0.117 -5.016) 5.022 36.742 ( -0.218 -0.117 5.016) 5.022 ======================= Grid point 474 (81/81) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.212 ( 2.036 3.585 -0.943) 4.230 5.212 ( 2.036 3.585 0.943) 4.230 5.516 ( -3.018 -5.389 -13.378) 14.735 5.516 ( -3.018 -5.389 13.378) 14.735 5.932 ( 0.092 0.293 -2.270) 2.290 5.932 ( 0.093 0.293 2.270) 2.290 6.556 ( 0.162 0.743 -5.807) 5.857 6.556 ( 0.162 0.743 5.807) 5.857 6.766 ( 0.263 -0.166 -4.693) 4.703 6.766 ( 0.263 -0.166 4.693) 4.703 7.114 ( -0.394 -0.900 -14.397) 14.431 7.114 ( -0.394 -0.900 14.397) 14.431 7.567 ( 4.684 11.126 -13.799) 18.334 7.567 ( 4.684 11.126 13.799) 18.334 7.718 ( 4.403 0.722 -11.439) 12.278 7.718 ( 4.403 0.722 11.439) 12.278 7.830 ( -5.449 -5.024 -15.922) 17.563 7.830 ( -5.449 -5.024 15.922) 17.563 8.834 ( -1.487 -2.341 -9.585) 9.978 8.834 ( -1.487 -2.341 9.585) 9.978 9.369 ( 2.046 2.646 -4.350) 5.487 9.369 ( 2.046 2.646 4.350) 5.487 9.952 ( -4.910 -7.959 -5.727) 10.966 9.952 ( -4.910 -7.959 5.727) 10.966 10.654 ( 2.083 3.528 -4.268) 5.916 10.654 ( 2.083 3.528 4.268) 5.917 11.217 ( 2.496 4.746 -9.071) 10.537 11.217 ( 2.496 4.746 9.071) 10.537 11.382 ( 2.462 1.445 -2.710) 3.936 11.382 ( 2.462 1.445 2.710) 3.936 11.462 ( -2.255 3.457 -2.635) 4.897 11.462 ( -2.254 3.457 2.635) 4.897 11.562 ( 1.368 -7.124 -7.363) 10.336 11.562 ( 1.368 -7.124 7.363) 10.336 11.636 ( -4.133 -2.651 -16.212) 16.940 11.636 ( -4.133 -2.651 16.212) 16.940 12.594 ( -1.992 -3.143 -4.189) 5.603 12.594 ( -1.992 -3.143 4.189) 5.603 13.279 ( -0.016 -0.959 -13.883) 13.916 13.279 ( -0.016 -0.959 13.883) 13.916 13.664 ( 1.095 2.794 -1.412) 3.317 13.664 ( 1.095 2.794 1.412) 3.317 14.359 ( -0.001 0.432 -1.846) 1.896 14.359 ( -0.001 0.432 1.846) 1.896 14.394 ( 1.178 1.138 -9.503) 9.643 14.394 ( 1.178 1.138 9.503) 9.643 14.684 ( -0.449 -0.541 -4.309) 4.366 14.684 ( -0.449 -0.541 4.309) 4.366 18.224 ( 0.275 0.462 -0.836) 0.994 18.224 ( 0.275 0.462 0.836) 0.994 18.241 ( -0.160 -0.263 -2.004) 2.028 18.241 ( -0.160 -0.263 2.004) 2.028 22.854 ( -0.053 -0.091 -0.232) 0.255 22.854 ( -0.053 -0.091 0.232) 0.255 27.542 ( -0.025 -0.043 -0.410) 0.413 27.542 ( -0.025 -0.043 0.410) 0.413 36.735 ( 0.066 0.115 -10.001) 10.002 36.735 ( 0.066 0.115 10.001) 10.002 36.743 ( 0.008 0.014 -1.733) 1.733 36.743 ( 0.008 0.014 1.733) 1.733 =================== 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 3/47040 10.0 3068.433 3068.433 2793.832 0.000 -0.000 -0.000 3/47040 20.0 2593.799 2593.799 1927.333 0.000 -0.000 -0.000 3/47040 30.0 1241.317 1241.317 1185.507 0.000 -0.000 -0.000 3/47040 40.0 634.553 634.553 744.078 0.000 -0.000 -0.000 3/47040 50.0 342.624 342.624 470.400 0.000 -0.000 -0.000 3/47040 60.0 199.447 199.447 310.236 0.000 -0.000 -0.000 3/47040 70.0 125.755 125.755 216.261 0.000 -0.000 -0.000 3/47040 80.0 85.312 85.312 159.304 0.000 -0.000 -0.000 3/47040 90.0 61.618 61.618 123.181 0.000 -0.000 -0.000 3/47040 100.0 46.868 46.868 99.132 0.000 -0.000 -0.000 3/47040 110.0 37.175 37.175 82.371 0.000 -0.000 -0.000 3/47040 120.0 30.497 30.497 70.205 0.000 -0.000 -0.000 3/47040 130.0 25.704 25.704 61.059 0.000 -0.000 -0.000 3/47040 140.0 22.142 22.142 53.978 0.000 -0.000 -0.000 3/47040 150.0 19.415 19.415 48.357 0.000 -0.000 -0.000 3/47040 160.0 17.272 17.272 43.799 0.000 -0.000 -0.000 3/47040 170.0 15.551 15.551 40.035 0.000 -0.000 -0.000 3/47040 180.0 14.143 14.143 36.879 0.000 -0.000 -0.000 3/47040 190.0 12.972 12.972 34.197 0.000 -0.000 -0.000 3/47040 200.0 11.984 11.984 31.891 0.000 -0.000 -0.000 3/47040 210.0 11.140 11.140 29.888 0.000 -0.000 -0.000 3/47040 220.0 10.411 10.411 28.132 0.000 -0.000 -0.000 3/47040 230.0 9.775 9.775 26.579 0.000 -0.000 -0.000 3/47040 240.0 9.216 9.216 25.198 0.000 -0.000 -0.000 3/47040 250.0 8.720 8.720 23.961 0.000 -0.000 -0.000 3/47040 260.0 8.277 8.277 22.846 0.000 -0.000 -0.000 3/47040 270.0 7.879 7.879 21.836 0.000 -0.000 -0.000 3/47040 280.0 7.520 7.520 20.917 0.000 -0.000 -0.000 3/47040 290.0 7.194 7.194 20.077 0.000 -0.000 -0.000 3/47040 300.0 6.897 6.897 19.306 0.000 -0.000 -0.000 3/47040 310.0 6.624 6.624 18.596 0.000 -0.000 -0.000 3/47040 320.0 6.374 6.374 17.940 0.000 -0.000 -0.000 3/47040 330.0 6.143 6.143 17.332 0.000 -0.000 -0.000 3/47040 340.0 5.929 5.929 16.767 0.000 -0.000 -0.000 3/47040 350.0 5.730 5.730 16.240 0.000 -0.000 -0.000 3/47040 360.0 5.545 5.545 15.747 0.000 -0.000 -0.000 3/47040 370.0 5.372 5.372 15.286 0.000 -0.000 -0.000 3/47040 380.0 5.210 5.210 14.853 0.000 -0.000 -0.000 3/47040 390.0 5.059 5.059 14.446 0.000 -0.000 -0.000 3/47040 400.0 4.916 4.916 14.062 0.000 -0.000 -0.000 3/47040 410.0 4.782 4.782 13.699 0.000 -0.000 -0.000 3/47040 420.0 4.655 4.655 13.357 0.000 -0.000 -0.000 3/47040 430.0 4.535 4.535 13.032 0.000 -0.000 -0.000 3/47040 440.0 4.422 4.422 12.724 0.000 -0.000 -0.000 3/47040 450.0 4.314 4.314 12.431 0.000 -0.000 -0.000 3/47040 460.0 4.212 4.212 12.152 0.000 -0.000 -0.000 3/47040 470.0 4.115 4.115 11.887 0.000 -0.000 -0.000 3/47040 480.0 4.022 4.022 11.633 0.000 -0.000 -0.000 3/47040 490.0 3.934 3.934 11.391 0.000 -0.000 -0.000 3/47040 500.0 3.849 3.849 11.160 0.000 -0.000 -0.000 3/47040 510.0 3.769 3.769 10.939 0.000 -0.000 -0.000 3/47040 520.0 3.692 3.692 10.727 0.000 -0.000 -0.000 3/47040 530.0 3.618 3.618 10.523 0.000 -0.000 -0.000 3/47040 540.0 3.547 3.547 10.328 0.000 -0.000 -0.000 3/47040 550.0 3.479 3.479 10.140 0.000 -0.000 -0.000 3/47040 560.0 3.414 3.414 9.960 0.000 -0.000 -0.000 3/47040 570.0 3.351 3.351 9.786 0.000 -0.000 -0.000 3/47040 580.0 3.291 3.291 9.619 0.000 -0.000 -0.000 3/47040 590.0 3.232 3.232 9.458 0.000 -0.000 -0.000 3/47040 600.0 3.176 3.176 9.302 0.000 -0.000 -0.000 3/47040 610.0 3.122 3.122 9.152 0.000 -0.000 -0.000 3/47040 620.0 3.070 3.070 9.007 0.000 -0.000 -0.000 3/47040 630.0 3.020 3.020 8.867 0.000 -0.000 -0.000 3/47040 640.0 2.971 2.971 8.731 0.000 -0.000 -0.000 3/47040 650.0 2.924 2.924 8.600 0.000 -0.000 -0.000 3/47040 660.0 2.878 2.878 8.472 0.000 -0.000 -0.000 3/47040 670.0 2.834 2.834 8.349 0.000 -0.000 -0.000 3/47040 680.0 2.792 2.792 8.230 0.000 -0.000 -0.000 3/47040 690.0 2.750 2.750 8.114 0.000 -0.000 -0.000 3/47040 700.0 2.710 2.710 8.001 0.000 -0.000 -0.000 3/47040 710.0 2.671 2.671 7.892 0.000 -0.000 -0.000 3/47040 720.0 2.633 2.633 7.786 0.000 -0.000 -0.000 3/47040 730.0 2.597 2.597 7.683 0.000 -0.000 -0.000 3/47040 740.0 2.561 2.561 7.583 0.000 -0.000 -0.000 3/47040 750.0 2.526 2.526 7.485 0.000 -0.000 -0.000 3/47040 760.0 2.493 2.493 7.390 0.000 -0.000 -0.000 3/47040 770.0 2.460 2.460 7.298 0.000 -0.000 -0.000 3/47040 780.0 2.428 2.428 7.208 0.000 -0.000 -0.000 3/47040 790.0 2.397 2.397 7.120 0.000 -0.000 -0.000 3/47040 800.0 2.367 2.367 7.035 0.000 -0.000 -0.000 3/47040 810.0 2.337 2.337 6.952 0.000 -0.000 -0.000 3/47040 820.0 2.309 2.309 6.870 0.000 -0.000 -0.000 3/47040 830.0 2.281 2.281 6.791 0.000 -0.000 -0.000 3/47040 840.0 2.253 2.253 6.714 0.000 -0.000 -0.000 3/47040 850.0 2.227 2.227 6.638 0.000 -0.000 -0.000 3/47040 860.0 2.201 2.201 6.565 0.000 -0.000 -0.000 3/47040 870.0 2.175 2.175 6.492 0.000 -0.000 -0.000 3/47040 880.0 2.150 2.150 6.422 0.000 -0.000 -0.000 3/47040 890.0 2.126 2.126 6.353 0.000 -0.000 -0.000 3/47040 900.0 2.103 2.103 6.286 0.000 -0.000 -0.000 3/47040 910.0 2.080 2.080 6.220 0.000 -0.000 -0.000 3/47040 920.0 2.057 2.057 6.156 0.000 -0.000 -0.000 3/47040 930.0 2.035 2.035 6.093 0.000 -0.000 -0.000 3/47040 940.0 2.013 2.013 6.031 0.000 -0.000 -0.000 3/47040 950.0 1.992 1.992 5.971 0.000 -0.000 -0.000 3/47040 960.0 1.971 1.971 5.912 0.000 -0.000 -0.000 3/47040 970.0 1.951 1.951 5.854 0.000 -0.000 -0.000 3/47040 980.0 1.931 1.931 5.797 0.000 -0.000 -0.000 3/47040 990.0 1.912 1.912 5.741 0.000 -0.000 -0.000 3/47040 1000.0 1.893 1.893 5.687 0.000 -0.000 -0.000 3/47040 Thermal conductivity related properties were written into "kappa-m7716.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:12:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|