----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:00:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.776477950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.547158270000000 Atomic positions (fractional): *1 Nd 0.94247026339783 0.75000000000000 0.01647688692866 144.242 2 Nd 0.55752973660217 0.25000000000000 0.51647688692866 144.242 3 Nd 0.44247026339783 0.75000000000000 0.48352311307134 144.242 4 Nd 0.05752973660217 0.25000000000000 0.98352311307134 144.242 *5 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 *9 O 0.54132317530016 0.75000000000000 0.88933510588795 15.999 10 O 0.95867682469984 0.25000000000000 0.38933510588795 15.999 11 O 0.04132317530016 0.75000000000000 0.61066489411205 15.999 12 O 0.45867682469984 0.25000000000000 0.11066489411205 15.999 *13 O 0.29999627212478 0.44139523472071 0.69880549437895 15.999 14 O 0.20000372787522 0.55860476527929 0.19880549437895 15.999 15 O 0.79999627212478 0.05860476527929 0.80119450562105 15.999 16 O 0.70000372787522 0.94139523472071 0.30119450562105 15.999 17 O 0.70000372787522 0.55860476527929 0.30119450562105 15.999 18 O 0.79999627212478 0.44139523472071 0.80119450562105 15.999 19 O 0.20000372787522 0.94139523472071 0.19880549437895 15.999 20 O 0.29999627212478 0.05860476527929 0.69880549437895 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.776477950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.547158270000000 Atomic positions (fractional): *1 Nd 0.94247026339783 0.75000000000000 0.01647688692866 144.242 > 1 2 Nd 0.55752973660217 0.25000000000000 0.51647688692866 144.242 > 2 3 Nd 0.44247026339783 0.75000000000000 0.48352311307134 144.242 > 3 4 Nd 0.05752973660217 0.25000000000000 0.98352311307134 144.242 > 4 *5 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 5 6 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 6 7 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 7 8 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 8 *9 O 0.54132317530016 0.75000000000000 0.88933510588795 15.999 > 9 10 O 0.95867682469984 0.25000000000000 0.38933510588795 15.999 > 10 11 O 0.04132317530016 0.75000000000000 0.61066489411205 15.999 > 11 12 O 0.45867682469984 0.25000000000000 0.11066489411205 15.999 > 12 *13 O 0.29999627212478 0.44139523472071 0.69880549437895 15.999 > 13 14 O 0.20000372787522 0.55860476527929 0.19880549437895 15.999 > 14 15 O 0.79999627212478 0.05860476527929 0.80119450562105 15.999 > 15 16 O 0.70000372787522 0.94139523472071 0.30119450562105 15.999 > 16 17 O 0.70000372787522 0.55860476527929 0.30119450562105 15.999 > 17 18 O 0.79999627212478 0.44139523472071 0.80119450562105 15.999 > 18 19 O 0.20000372787522 0.94139523472071 0.19880549437895 15.999 > 19 20 O 0.29999627212478 0.05860476527929 0.69880549437895 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.552955900000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.094316539999999 Atomic positions (fractional): *1 Nd 0.47123513169892 0.75000000000000 0.00823844346433 144.242 > 1 2 Nd 0.97123513169892 0.75000000000000 0.00823844346433 144.242 > 1 3 Nd 0.47123513169892 0.75000000000000 0.50823844346433 144.242 > 1 4 Nd 0.97123513169892 0.75000000000000 0.50823844346433 144.242 > 1 5 Nd 0.27876486830108 0.25000000000000 0.25823844346433 144.242 > 2 6 Nd 0.77876486830108 0.25000000000000 0.25823844346433 144.242 > 2 7 Nd 0.27876486830108 0.25000000000000 0.75823844346433 144.242 > 2 8 Nd 0.77876486830108 0.25000000000000 0.75823844346433 144.242 > 2 9 Nd 0.22123513169892 0.75000000000000 0.24176155653567 144.242 > 3 10 Nd 0.72123513169892 0.75000000000000 0.24176155653567 144.242 > 3 11 Nd 0.22123513169892 0.75000000000000 0.74176155653567 144.242 > 3 12 Nd 0.72123513169892 0.75000000000000 0.74176155653567 144.242 > 3 13 Nd 0.02876486830108 0.25000000000000 0.49176155653567 144.242 > 4 14 Nd 0.52876486830108 0.25000000000000 0.49176155653567 144.242 > 4 15 Nd 0.02876486830108 0.25000000000000 0.99176155653567 144.242 > 4 16 Nd 0.52876486830108 0.25000000000000 0.99176155653567 144.242 > 4 *17 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 5 18 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 5 19 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 5 20 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 5 21 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 6 22 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 6 23 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 6 24 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 6 25 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 7 26 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 7 27 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 7 28 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 7 29 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 8 30 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 8 31 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 8 32 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 8 *33 O 0.27066158765008 0.75000000000000 0.44466755294397 15.999 > 9 34 O 0.77066158765008 0.75000000000000 0.44466755294397 15.999 > 9 35 O 0.27066158765008 0.75000000000000 0.94466755294397 15.999 > 9 36 O 0.77066158765008 0.75000000000000 0.94466755294397 15.999 > 9 37 O 0.47933841234992 0.25000000000000 0.19466755294397 15.999 > 10 38 O 0.97933841234992 0.25000000000000 0.19466755294397 15.999 > 10 39 O 0.47933841234992 0.25000000000000 0.69466755294397 15.999 > 10 40 O 0.97933841234992 0.25000000000000 0.69466755294397 15.999 > 10 41 O 0.02066158765008 0.75000000000000 0.30533244705603 15.999 > 11 42 O 0.52066158765008 0.75000000000000 0.30533244705603 15.999 > 11 43 O 0.02066158765008 0.75000000000000 0.80533244705603 15.999 > 11 44 O 0.52066158765008 0.75000000000000 0.80533244705603 15.999 > 11 45 O 0.22933841234992 0.25000000000000 0.05533244705603 15.999 > 12 46 O 0.72933841234992 0.25000000000000 0.05533244705603 15.999 > 12 47 O 0.22933841234992 0.25000000000000 0.55533244705603 15.999 > 12 48 O 0.72933841234992 0.25000000000000 0.55533244705603 15.999 > 12 *49 O 0.14999813606239 0.44139523472071 0.34940274718948 15.999 > 13 50 O 0.64999813606239 0.44139523472071 0.34940274718948 15.999 > 13 51 O 0.14999813606239 0.44139523472071 0.84940274718948 15.999 > 13 52 O 0.64999813606239 0.44139523472071 0.84940274718948 15.999 > 13 53 O 0.10000186393761 0.55860476527929 0.09940274718948 15.999 > 14 54 O 0.60000186393761 0.55860476527929 0.09940274718948 15.999 > 14 55 O 0.10000186393761 0.55860476527929 0.59940274718948 15.999 > 14 56 O 0.60000186393761 0.55860476527929 0.59940274718948 15.999 > 14 57 O 0.39999813606239 0.05860476527929 0.40059725281052 15.999 > 15 58 O 0.89999813606239 0.05860476527929 0.40059725281052 15.999 > 15 59 O 0.39999813606239 0.05860476527929 0.90059725281052 15.999 > 15 60 O 0.89999813606239 0.05860476527929 0.90059725281052 15.999 > 15 61 O 0.35000186393761 0.94139523472071 0.15059725281052 15.999 > 16 62 O 0.85000186393761 0.94139523472071 0.15059725281052 15.999 > 16 63 O 0.35000186393761 0.94139523472071 0.65059725281052 15.999 > 16 64 O 0.85000186393761 0.94139523472071 0.65059725281052 15.999 > 16 65 O 0.35000186393761 0.55860476527929 0.15059725281052 15.999 > 17 66 O 0.85000186393761 0.55860476527929 0.15059725281052 15.999 > 17 67 O 0.35000186393761 0.55860476527929 0.65059725281052 15.999 > 17 68 O 0.85000186393761 0.55860476527929 0.65059725281052 15.999 > 17 69 O 0.39999813606239 0.44139523472071 0.40059725281052 15.999 > 18 70 O 0.89999813606239 0.44139523472071 0.40059725281052 15.999 > 18 71 O 0.39999813606239 0.44139523472071 0.90059725281052 15.999 > 18 72 O 0.89999813606239 0.44139523472071 0.90059725281052 15.999 > 18 73 O 0.10000186393761 0.94139523472071 0.09940274718948 15.999 > 19 74 O 0.60000186393761 0.94139523472071 0.09940274718948 15.999 > 19 75 O 0.10000186393761 0.94139523472071 0.59940274718948 15.999 > 19 76 O 0.60000186393761 0.94139523472071 0.59940274718948 15.999 > 19 77 O 0.14999813606239 0.05860476527929 0.34940274718948 15.999 > 20 78 O 0.64999813606239 0.05860476527929 0.34940274718948 15.999 > 20 79 O 0.14999813606239 0.05860476527929 0.84940274718948 15.999 > 20 80 O 0.64999813606239 0.05860476527929 0.84940274718948 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0206038 0.0000000 0.0000000 0.0000000 4.7896335 0.0000000 0.0000000 0.0000000 5.0616011 -------------------------- Born effective charges -------------------------- 1 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 2 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 3 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 4 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 5 Sc 4.1033897 0.1601044 -0.1379251 0.1290193 4.0231539 0.1124787 -0.1531232 0.1623235 4.0594261 6 Sc 4.1033897 0.1601044 0.1379251 0.1290193 4.0231539 -0.1124787 0.1531232 -0.1623235 4.0594261 7 Sc 4.1033897 -0.1601044 0.1379251 -0.1290193 4.0231539 0.1124787 0.1531232 0.1623235 4.0594261 8 Sc 4.1033897 -0.1601044 -0.1379251 -0.1290193 4.0231539 -0.1124787 -0.1531232 -0.1623235 4.0594261 9 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 10 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 11 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 12 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 13 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 14 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 15 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 16 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 17 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 18 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 19 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 20 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.833 Solver_block: 200 / 320 - Time: 0.775 Solver_block: 300 / 320 - Time: 0.787 Solver_block: 320 / 320 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.727 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 09:00:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:00:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.776477950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.547158270000000 Atomic positions (fractional): 1 Nd 0.94247026339783 0.75000000000000 0.01647688692866 144.242 2 Nd 0.55752973660217 0.25000000000000 0.51647688692866 144.242 3 Nd 0.44247026339783 0.75000000000000 0.48352311307134 144.242 4 Nd 0.05752973660217 0.25000000000000 0.98352311307134 144.242 5 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 9 O 0.54132317530016 0.75000000000000 0.88933510588795 15.999 10 O 0.95867682469984 0.25000000000000 0.38933510588795 15.999 11 O 0.04132317530016 0.75000000000000 0.61066489411205 15.999 12 O 0.45867682469984 0.25000000000000 0.11066489411205 15.999 13 O 0.29999627212478 0.44139523472071 0.69880549437895 15.999 14 O 0.20000372787522 0.55860476527929 0.19880549437895 15.999 15 O 0.79999627212478 0.05860476527929 0.80119450562105 15.999 16 O 0.70000372787522 0.94139523472071 0.30119450562105 15.999 17 O 0.70000372787522 0.55860476527929 0.30119450562105 15.999 18 O 0.79999627212478 0.44139523472071 0.80119450562105 15.999 19 O 0.20000372787522 0.94139523472071 0.19880549437895 15.999 20 O 0.29999627212478 0.05860476527929 0.69880549437895 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.552955900000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.094316539999999 Atomic positions (fractional): 1 Nd 0.47123513169892 0.75000000000000 0.00823844346433 144.242 > 1 2 Nd 0.97123513169892 0.75000000000000 0.00823844346433 144.242 > 1 3 Nd 0.47123513169892 0.75000000000000 0.50823844346433 144.242 > 1 4 Nd 0.97123513169892 0.75000000000000 0.50823844346433 144.242 > 1 5 Nd 0.27876486830108 0.25000000000000 0.25823844346433 144.242 > 5 6 Nd 0.77876486830108 0.25000000000000 0.25823844346433 144.242 > 5 7 Nd 0.27876486830108 0.25000000000000 0.75823844346433 144.242 > 5 8 Nd 0.77876486830108 0.25000000000000 0.75823844346433 144.242 > 5 9 Nd 0.22123513169892 0.75000000000000 0.24176155653567 144.242 > 9 10 Nd 0.72123513169892 0.75000000000000 0.24176155653567 144.242 > 9 11 Nd 0.22123513169892 0.75000000000000 0.74176155653567 144.242 > 9 12 Nd 0.72123513169892 0.75000000000000 0.74176155653567 144.242 > 9 13 Nd 0.02876486830108 0.25000000000000 0.49176155653567 144.242 > 13 14 Nd 0.52876486830108 0.25000000000000 0.49176155653567 144.242 > 13 15 Nd 0.02876486830108 0.25000000000000 0.99176155653567 144.242 > 13 16 Nd 0.52876486830108 0.25000000000000 0.99176155653567 144.242 > 13 17 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 17 18 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 17 19 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 17 20 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 17 21 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 21 22 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 21 23 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 21 24 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 21 25 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 25 27 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 25 28 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 25 29 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 29 30 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 29 31 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 29 32 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 29 33 O 0.27066158765008 0.75000000000000 0.44466755294397 15.999 > 33 34 O 0.77066158765008 0.75000000000000 0.44466755294397 15.999 > 33 35 O 0.27066158765008 0.75000000000000 0.94466755294397 15.999 > 33 36 O 0.77066158765008 0.75000000000000 0.94466755294397 15.999 > 33 37 O 0.47933841234992 0.25000000000000 0.19466755294397 15.999 > 37 38 O 0.97933841234992 0.25000000000000 0.19466755294397 15.999 > 37 39 O 0.47933841234992 0.25000000000000 0.69466755294397 15.999 > 37 40 O 0.97933841234992 0.25000000000000 0.69466755294397 15.999 > 37 41 O 0.02066158765008 0.75000000000000 0.30533244705603 15.999 > 41 42 O 0.52066158765008 0.75000000000000 0.30533244705603 15.999 > 41 43 O 0.02066158765008 0.75000000000000 0.80533244705603 15.999 > 41 44 O 0.52066158765008 0.75000000000000 0.80533244705603 15.999 > 41 45 O 0.22933841234992 0.25000000000000 0.05533244705603 15.999 > 45 46 O 0.72933841234992 0.25000000000000 0.05533244705603 15.999 > 45 47 O 0.22933841234992 0.25000000000000 0.55533244705603 15.999 > 45 48 O 0.72933841234992 0.25000000000000 0.55533244705603 15.999 > 45 49 O 0.14999813606239 0.44139523472071 0.34940274718948 15.999 > 49 50 O 0.64999813606239 0.44139523472071 0.34940274718948 15.999 > 49 51 O 0.14999813606239 0.44139523472071 0.84940274718948 15.999 > 49 52 O 0.64999813606239 0.44139523472071 0.84940274718948 15.999 > 49 53 O 0.10000186393761 0.55860476527929 0.09940274718948 15.999 > 53 54 O 0.60000186393761 0.55860476527929 0.09940274718948 15.999 > 53 55 O 0.10000186393761 0.55860476527929 0.59940274718948 15.999 > 53 56 O 0.60000186393761 0.55860476527929 0.59940274718948 15.999 > 53 57 O 0.39999813606239 0.05860476527929 0.40059725281052 15.999 > 57 58 O 0.89999813606239 0.05860476527929 0.40059725281052 15.999 > 57 59 O 0.39999813606239 0.05860476527929 0.90059725281052 15.999 > 57 60 O 0.89999813606239 0.05860476527929 0.90059725281052 15.999 > 57 61 O 0.35000186393761 0.94139523472071 0.15059725281052 15.999 > 61 62 O 0.85000186393761 0.94139523472071 0.15059725281052 15.999 > 61 63 O 0.35000186393761 0.94139523472071 0.65059725281052 15.999 > 61 64 O 0.85000186393761 0.94139523472071 0.65059725281052 15.999 > 61 65 O 0.35000186393761 0.55860476527929 0.15059725281052 15.999 > 65 66 O 0.85000186393761 0.55860476527929 0.15059725281052 15.999 > 65 67 O 0.35000186393761 0.55860476527929 0.65059725281052 15.999 > 65 68 O 0.85000186393761 0.55860476527929 0.65059725281052 15.999 > 65 69 O 0.39999813606239 0.44139523472071 0.40059725281052 15.999 > 69 70 O 0.89999813606239 0.44139523472071 0.40059725281052 15.999 > 69 71 O 0.39999813606239 0.44139523472071 0.90059725281052 15.999 > 69 72 O 0.89999813606239 0.44139523472071 0.90059725281052 15.999 > 69 73 O 0.10000186393761 0.94139523472071 0.09940274718948 15.999 > 73 74 O 0.60000186393761 0.94139523472071 0.09940274718948 15.999 > 73 75 O 0.10000186393761 0.94139523472071 0.59940274718948 15.999 > 73 76 O 0.60000186393761 0.94139523472071 0.59940274718948 15.999 > 73 77 O 0.14999813606239 0.05860476527929 0.34940274718948 15.999 > 77 78 O 0.64999813606239 0.05860476527929 0.34940274718948 15.999 > 77 79 O 0.14999813606239 0.05860476527929 0.84940274718948 15.999 > 77 80 O 0.64999813606239 0.05860476527929 0.84940274718948 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0206038 0.0000000 0.0000000 0.0000000 4.7896335 0.0000000 0.0000000 0.0000000 5.0616011 -------------------------- Born effective charges -------------------------- 1 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 2 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 3 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 4 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 5 Sc 4.1033897 0.1601044 -0.1379251 0.1290193 4.0231539 0.1124787 -0.1531232 0.1623235 4.0594261 6 Sc 4.1033897 0.1601044 0.1379251 0.1290193 4.0231539 -0.1124787 0.1531232 -0.1623235 4.0594261 7 Sc 4.1033897 -0.1601044 0.1379251 -0.1290193 4.0231539 0.1124787 0.1531232 0.1623235 4.0594261 8 Sc 4.1033897 -0.1601044 -0.1379251 -0.1290193 4.0231539 -0.1124787 -0.1531232 -0.1623235 4.0594261 9 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 10 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 11 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 12 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 13 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 14 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 15 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 16 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 17 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 18 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 19 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 20 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000062 (xxx) 0.00000062 (xxx) 0.00000062 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:00:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:00:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.776477950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.547158270000000 Atomic positions (fractional): 1 Nd 0.94247026339783 0.75000000000000 0.01647688692866 144.242 2 Nd 0.55752973660217 0.25000000000000 0.51647688692866 144.242 3 Nd 0.44247026339783 0.75000000000000 0.48352311307134 144.242 4 Nd 0.05752973660217 0.25000000000000 0.98352311307134 144.242 5 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 9 O 0.54132317530016 0.75000000000000 0.88933510588795 15.999 10 O 0.95867682469984 0.25000000000000 0.38933510588795 15.999 11 O 0.04132317530016 0.75000000000000 0.61066489411205 15.999 12 O 0.45867682469984 0.25000000000000 0.11066489411205 15.999 13 O 0.29999627212478 0.44139523472071 0.69880549437895 15.999 14 O 0.20000372787522 0.55860476527929 0.19880549437895 15.999 15 O 0.79999627212478 0.05860476527929 0.80119450562105 15.999 16 O 0.70000372787522 0.94139523472071 0.30119450562105 15.999 17 O 0.70000372787522 0.55860476527929 0.30119450562105 15.999 18 O 0.79999627212478 0.44139523472071 0.80119450562105 15.999 19 O 0.20000372787522 0.94139523472071 0.19880549437895 15.999 20 O 0.29999627212478 0.05860476527929 0.69880549437895 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.552955900000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.977493540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.094316539999999 Atomic positions (fractional): 1 Nd 0.47123513169892 0.75000000000000 0.00823844346433 144.242 > 1 2 Nd 0.97123513169892 0.75000000000000 0.00823844346433 144.242 > 1 3 Nd 0.47123513169892 0.75000000000000 0.50823844346433 144.242 > 1 4 Nd 0.97123513169892 0.75000000000000 0.50823844346433 144.242 > 1 5 Nd 0.27876486830108 0.25000000000000 0.25823844346433 144.242 > 5 6 Nd 0.77876486830108 0.25000000000000 0.25823844346433 144.242 > 5 7 Nd 0.27876486830108 0.25000000000000 0.75823844346433 144.242 > 5 8 Nd 0.77876486830108 0.25000000000000 0.75823844346433 144.242 > 5 9 Nd 0.22123513169892 0.75000000000000 0.24176155653567 144.242 > 9 10 Nd 0.72123513169892 0.75000000000000 0.24176155653567 144.242 > 9 11 Nd 0.22123513169892 0.75000000000000 0.74176155653567 144.242 > 9 12 Nd 0.72123513169892 0.75000000000000 0.74176155653567 144.242 > 9 13 Nd 0.02876486830108 0.25000000000000 0.49176155653567 144.242 > 13 14 Nd 0.52876486830108 0.25000000000000 0.49176155653567 144.242 > 13 15 Nd 0.02876486830108 0.25000000000000 0.99176155653567 144.242 > 13 16 Nd 0.52876486830108 0.25000000000000 0.99176155653567 144.242 > 13 17 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 17 18 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 17 19 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 17 20 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 17 21 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 21 22 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 21 23 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 21 24 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 21 25 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 25 27 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 25 28 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 25 29 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 29 30 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 29 31 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 29 32 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 29 33 O 0.27066158765008 0.75000000000000 0.44466755294397 15.999 > 33 34 O 0.77066158765008 0.75000000000000 0.44466755294397 15.999 > 33 35 O 0.27066158765008 0.75000000000000 0.94466755294397 15.999 > 33 36 O 0.77066158765008 0.75000000000000 0.94466755294397 15.999 > 33 37 O 0.47933841234992 0.25000000000000 0.19466755294397 15.999 > 37 38 O 0.97933841234992 0.25000000000000 0.19466755294397 15.999 > 37 39 O 0.47933841234992 0.25000000000000 0.69466755294397 15.999 > 37 40 O 0.97933841234992 0.25000000000000 0.69466755294397 15.999 > 37 41 O 0.02066158765008 0.75000000000000 0.30533244705603 15.999 > 41 42 O 0.52066158765008 0.75000000000000 0.30533244705603 15.999 > 41 43 O 0.02066158765008 0.75000000000000 0.80533244705603 15.999 > 41 44 O 0.52066158765008 0.75000000000000 0.80533244705603 15.999 > 41 45 O 0.22933841234992 0.25000000000000 0.05533244705603 15.999 > 45 46 O 0.72933841234992 0.25000000000000 0.05533244705603 15.999 > 45 47 O 0.22933841234992 0.25000000000000 0.55533244705603 15.999 > 45 48 O 0.72933841234992 0.25000000000000 0.55533244705603 15.999 > 45 49 O 0.14999813606239 0.44139523472071 0.34940274718948 15.999 > 49 50 O 0.64999813606239 0.44139523472071 0.34940274718948 15.999 > 49 51 O 0.14999813606239 0.44139523472071 0.84940274718948 15.999 > 49 52 O 0.64999813606239 0.44139523472071 0.84940274718948 15.999 > 49 53 O 0.10000186393761 0.55860476527929 0.09940274718948 15.999 > 53 54 O 0.60000186393761 0.55860476527929 0.09940274718948 15.999 > 53 55 O 0.10000186393761 0.55860476527929 0.59940274718948 15.999 > 53 56 O 0.60000186393761 0.55860476527929 0.59940274718948 15.999 > 53 57 O 0.39999813606239 0.05860476527929 0.40059725281052 15.999 > 57 58 O 0.89999813606239 0.05860476527929 0.40059725281052 15.999 > 57 59 O 0.39999813606239 0.05860476527929 0.90059725281052 15.999 > 57 60 O 0.89999813606239 0.05860476527929 0.90059725281052 15.999 > 57 61 O 0.35000186393761 0.94139523472071 0.15059725281052 15.999 > 61 62 O 0.85000186393761 0.94139523472071 0.15059725281052 15.999 > 61 63 O 0.35000186393761 0.94139523472071 0.65059725281052 15.999 > 61 64 O 0.85000186393761 0.94139523472071 0.65059725281052 15.999 > 61 65 O 0.35000186393761 0.55860476527929 0.15059725281052 15.999 > 65 66 O 0.85000186393761 0.55860476527929 0.15059725281052 15.999 > 65 67 O 0.35000186393761 0.55860476527929 0.65059725281052 15.999 > 65 68 O 0.85000186393761 0.55860476527929 0.65059725281052 15.999 > 65 69 O 0.39999813606239 0.44139523472071 0.40059725281052 15.999 > 69 70 O 0.89999813606239 0.44139523472071 0.40059725281052 15.999 > 69 71 O 0.39999813606239 0.44139523472071 0.90059725281052 15.999 > 69 72 O 0.89999813606239 0.44139523472071 0.90059725281052 15.999 > 69 73 O 0.10000186393761 0.94139523472071 0.09940274718948 15.999 > 73 74 O 0.60000186393761 0.94139523472071 0.09940274718948 15.999 > 73 75 O 0.10000186393761 0.94139523472071 0.59940274718948 15.999 > 73 76 O 0.60000186393761 0.94139523472071 0.59940274718948 15.999 > 73 77 O 0.14999813606239 0.05860476527929 0.34940274718948 15.999 > 77 78 O 0.64999813606239 0.05860476527929 0.34940274718948 15.999 > 77 79 O 0.14999813606239 0.05860476527929 0.84940274718948 15.999 > 77 80 O 0.64999813606239 0.05860476527929 0.84940274718948 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0206038 0.0000000 0.0000000 0.0000000 4.7896335 0.0000000 0.0000000 0.0000000 5.0616011 -------------------------- Born effective charges -------------------------- 1 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 2 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 3 Nd 4.0771063 0.0000000 -0.0945307 0.0000000 3.6286910 0.0000000 -0.2825171 0.0000000 4.2134526 4 Nd 4.0771063 0.0000000 0.0945307 0.0000000 3.6286910 0.0000000 0.2825171 0.0000000 4.2134526 5 Sc 4.1033897 0.1601044 -0.1379251 0.1290193 4.0231539 0.1124787 -0.1531232 0.1623235 4.0594261 6 Sc 4.1033897 0.1601044 0.1379251 0.1290193 4.0231539 -0.1124787 0.1531232 -0.1623235 4.0594261 7 Sc 4.1033897 -0.1601044 0.1379251 -0.1290193 4.0231539 0.1124787 0.1531232 0.1623235 4.0594261 8 Sc 4.1033897 -0.1601044 -0.1379251 -0.1290193 4.0231539 -0.1124787 -0.1531232 -0.1623235 4.0594261 9 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 10 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 11 O -2.2221023 0.0000000 0.3981165 0.0000000 -3.1787536 0.0000000 0.3962729 0.0000000 -2.6985907 12 O -2.2221023 0.0000000 -0.3981165 0.0000000 -3.1787536 0.0000000 -0.3962729 0.0000000 -2.6985907 13 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 14 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 15 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 16 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 17 O -2.9791969 0.1789175 -0.4459160 0.2229282 -2.2365456 -0.0006810 -0.4165585 0.0414590 -2.7871440 18 O -2.9791969 0.1789175 0.4459160 0.2229282 -2.2365456 0.0006810 0.4165585 -0.0414590 -2.7871440 19 O -2.9791969 -0.1789175 0.4459160 -0.2229282 -2.2365456 -0.0006810 0.4165585 0.0414590 -2.7871440 20 O -2.9791969 -0.1789175 -0.4459160 -0.2229282 -2.2365456 0.0006810 -0.4165585 -0.0414590 -2.7871440 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000062 (xxx) 0.00000062 (xxx) 0.00000062 (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 ... [ 9 6 9 ] 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: 0.65, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 2.648 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.497 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.002 ( 0.000 0.000 0.000) 0.000 13.344 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 0.000) 0.000 13.862 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.268 ( 0.000 0.000 0.000) 0.000 14.408 ( 0.000 0.000 0.000) 0.000 14.462 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 15.068 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 18.126 ( 0.000 0.000 0.000) 0.000 19.344 ( 0.000 0.000 0.000) 0.000 19.795 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 35.258 0.000 0.000) 35.258 0.776 ( 39.663 0.000 0.000) 39.663 1.264 ( 62.175 0.000 0.000) 62.175 2.682 ( 3.255 0.000 0.000) 3.255 3.095 ( -4.928 0.000 0.000) 4.928 3.364 ( -0.929 0.000 0.000) 0.929 3.385 ( -1.498 0.000 0.000) 1.498 3.491 ( 1.628 0.000 0.000) 1.628 3.590 ( -7.310 0.000 0.000) 7.310 3.778 ( -1.061 0.000 0.000) 1.061 3.790 ( -15.079 0.000 0.000) 15.079 4.488 ( 9.221 0.000 0.000) 9.221 4.597 ( -11.499 0.000 0.000) 11.499 4.952 ( 3.858 0.000 0.000) 3.858 5.155 ( 12.210 0.000 0.000) 12.210 5.530 ( -0.674 0.000 0.000) 0.674 6.346 ( 19.679 0.000 0.000) 19.679 6.373 ( -2.955 0.000 0.000) 2.955 6.679 ( -0.839 0.000 0.000) 0.839 6.834 ( -6.499 0.000 0.000) 6.499 7.359 ( 8.569 0.000 0.000) 8.569 7.389 ( 6.414 0.000 0.000) 6.414 7.945 ( -10.655 0.000 0.000) 10.655 8.295 ( 2.003 0.000 0.000) 2.003 8.487 ( -12.277 0.000 0.000) 12.277 8.623 ( 2.553 0.000 0.000) 2.553 8.698 ( 4.275 0.000 0.000) 4.275 8.716 ( -0.564 0.000 0.000) 0.564 9.176 ( -1.066 0.000 0.000) 1.066 9.632 ( 2.870 0.000 0.000) 2.870 9.711 ( 10.189 0.000 0.000) 10.189 10.020 ( 8.269 0.000 0.000) 8.269 10.045 ( -4.664 0.000 0.000) 4.664 10.465 ( 1.856 0.000 0.000) 1.856 10.757 ( -9.979 0.000 0.000) 9.979 10.934 ( -5.631 0.000 0.000) 5.631 11.037 ( 4.418 0.000 0.000) 4.418 11.171 ( 2.186 0.000 0.000) 2.186 11.429 ( -14.544 0.000 0.000) 14.544 11.892 ( -6.552 0.000 0.000) 6.552 12.171 ( 4.530 0.000 0.000) 4.530 12.665 ( -10.410 0.000 0.000) 10.410 12.925 ( -4.539 0.000 0.000) 4.539 12.958 ( -6.606 0.000 0.000) 6.606 13.439 ( 8.227 0.000 0.000) 8.227 13.699 ( 12.627 0.000 0.000) 12.627 13.768 ( 1.717 0.000 0.000) 1.717 13.905 ( 5.742 0.000 0.000) 5.742 14.151 ( -0.340 0.000 0.000) 0.340 14.215 ( -0.407 0.000 0.000) 0.407 14.407 ( -0.234 0.000 0.000) 0.234 14.457 ( -0.543 0.000 0.000) 0.543 14.638 ( 0.899 0.000 0.000) 0.899 15.043 ( -2.290 0.000 0.000) 2.290 15.265 ( 4.835 0.000 0.000) 4.835 15.751 ( -4.289 0.000 0.000) 4.289 18.203 ( 7.955 0.000 0.000) 7.955 19.343 ( -0.068 0.000 0.000) 0.068 19.594 ( -1.859 0.000 0.000) 1.859 19.785 ( -1.241 0.000 0.000) 1.241 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 31.139 0.000 0.000) 31.139 1.511 ( 36.290 0.000 0.000) 36.290 2.295 ( 41.538 0.000 0.000) 41.538 2.750 ( 2.969 0.000 0.000) 2.969 2.974 ( -7.072 0.000 0.000) 7.072 3.341 ( -2.816 0.000 0.000) 2.816 3.379 ( 3.938 0.000 0.000) 3.938 3.411 ( -10.405 0.000 0.000) 10.405 3.432 ( -20.204 0.000 0.000) 20.204 3.545 ( 3.692 0.000 0.000) 3.692 3.758 ( -0.621 0.000 0.000) 0.621 4.305 ( -18.102 0.000 0.000) 18.102 4.669 ( 8.284 0.000 0.000) 8.284 5.030 ( 3.322 0.000 0.000) 3.322 5.462 ( 18.840 0.000 0.000) 18.840 5.629 ( 10.629 0.000 0.000) 10.629 6.329 ( 0.074 0.000 0.000) 0.074 6.647 ( -2.743 0.000 0.000) 2.743 6.715 ( -5.552 0.000 0.000) 5.552 6.753 ( 21.236 0.000 0.000) 21.236 7.522 ( 7.531 0.000 0.000) 7.531 7.561 ( 10.474 0.000 0.000) 10.474 7.757 ( -8.450 0.000 0.000) 8.450 8.231 ( -12.070 0.000 0.000) 12.070 8.248 ( -6.965 0.000 0.000) 6.965 8.693 ( 4.657 0.000 0.000) 4.657 8.708 ( 0.099 0.000 0.000) 0.099 8.788 ( 4.120 0.000 0.000) 4.120 9.142 ( -2.531 0.000 0.000) 2.531 9.725 ( 4.902 0.000 0.000) 4.902 9.894 ( -8.981 0.000 0.000) 8.981 9.929 ( 11.294 0.000 0.000) 11.294 10.153 ( 1.051 0.000 0.000) 1.051 10.516 ( 3.112 0.000 0.000) 3.112 10.580 ( -5.127 0.000 0.000) 5.127 10.778 ( -10.241 0.000 0.000) 10.241 11.137 ( 6.678 0.000 0.000) 6.678 11.182 ( -9.767 0.000 0.000) 9.767 11.211 ( 1.443 0.000 0.000) 1.443 11.817 ( 0.205 0.000 0.000) 0.205 12.161 ( -5.295 0.000 0.000) 5.295 12.429 ( -13.466 0.000 0.000) 13.466 12.716 ( -17.498 0.000 0.000) 17.498 12.799 ( -8.518 0.000 0.000) 8.518 13.612 ( 9.072 0.000 0.000) 9.072 13.821 ( 3.816 0.000 0.000) 3.816 14.037 ( 21.087 0.000 0.000) 21.087 14.099 ( 13.533 0.000 0.000) 13.533 14.149 ( 0.256 0.000 0.000) 0.256 14.199 ( -1.371 0.000 0.000) 1.371 14.396 ( -0.990 0.000 0.000) 0.990 14.436 ( -1.757 0.000 0.000) 1.757 14.664 ( 1.848 0.000 0.000) 1.848 14.990 ( -2.920 0.000 0.000) 2.920 15.353 ( 3.330 0.000 0.000) 3.330 15.630 ( -8.192 0.000 0.000) 8.192 18.424 ( 14.567 0.000 0.000) 14.567 19.343 ( 0.111 0.000 0.000) 0.111 19.546 ( -3.086 0.000 0.000) 3.086 19.738 ( -4.004 0.000 0.000) 4.004 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 25.331 0.000 0.000) 25.331 2.149 ( 29.230 0.000 0.000) 29.230 2.758 ( 4.184 0.000 0.000) 4.184 2.767 ( -1.577 0.000 0.000) 1.577 2.863 ( 0.817 0.000 0.000) 0.817 3.079 ( -14.967 0.000 0.000) 14.967 3.222 ( -8.801 0.000 0.000) 8.801 3.284 ( -3.141 0.000 0.000) 3.141 3.505 ( 5.208 0.000 0.000) 5.208 3.625 ( 4.287 0.000 0.000) 4.287 3.785 ( 4.029 0.000 0.000) 4.029 3.941 ( -18.229 0.000 0.000) 18.229 4.797 ( 5.446 0.000 0.000) 5.446 5.055 ( -1.017 0.000 0.000) 1.017 5.846 ( 20.152 0.000 0.000) 20.152 5.889 ( 15.060 0.000 0.000) 15.060 6.460 ( 15.057 0.000 0.000) 15.057 6.563 ( -6.226 0.000 0.000) 6.226 6.613 ( -5.353 0.000 0.000) 5.353 7.126 ( 16.838 0.000 0.000) 16.838 7.623 ( -6.010 0.000 0.000) 6.010 7.631 ( 3.693 0.000 0.000) 3.693 7.686 ( -1.216 0.000 0.000) 1.216 8.031 ( -15.274 0.000 0.000) 15.274 8.156 ( 7.999 0.000 0.000) 7.999 8.734 ( 2.832 0.000 0.000) 2.832 8.784 ( 3.597 0.000 0.000) 3.597 8.842 ( 1.603 0.000 0.000) 1.603 9.082 ( -3.398 0.000 0.000) 3.398 9.527 ( -18.332 0.000 0.000) 18.332 10.005 ( -11.655 0.000 0.000) 11.655 10.009 ( 14.331 0.000 0.000) 14.331 10.097 ( 4.216 0.000 0.000) 4.216 10.562 ( 0.856 0.000 0.000) 0.856 10.577 ( -8.632 0.000 0.000) 8.632 10.593 ( 2.490 0.000 0.000) 2.490 11.076 ( -1.208 0.000 0.000) 1.208 11.222 ( -0.299 0.000 0.000) 0.299 11.317 ( 12.155 0.000 0.000) 12.155 11.905 ( 8.168 0.000 0.000) 8.168 12.015 ( -8.196 0.000 0.000) 8.196 12.159 ( -14.464 0.000 0.000) 14.464 12.348 ( -19.041 0.000 0.000) 19.041 12.603 ( -11.622 0.000 0.000) 11.622 13.777 ( 8.059 0.000 0.000) 8.059 13.912 ( 5.355 0.000 0.000) 5.355 14.159 ( -2.744 0.000 0.000) 2.744 14.160 ( 0.588 0.000 0.000) 0.588 14.369 ( -1.661 0.000 0.000) 1.661 14.377 ( 14.094 0.000 0.000) 14.094 14.389 ( -2.960 0.000 0.000) 2.960 14.438 ( 18.039 0.000 0.000) 18.039 14.723 ( 5.423 0.000 0.000) 5.423 14.943 ( -1.498 0.000 0.000) 1.498 15.367 ( -2.258 0.000 0.000) 2.258 15.443 ( -10.886 0.000 0.000) 10.886 18.744 ( 18.140 0.000 0.000) 18.140 19.351 ( 0.755 0.000 0.000) 0.755 19.482 ( -3.396 0.000 0.000) 3.396 19.619 ( -8.598 0.000 0.000) 8.598 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 18.799 0.000 0.000) 18.799 2.584 ( 13.851 0.000 0.000) 13.851 2.609 ( -12.459 0.000 0.000) 12.459 2.709 ( -3.563 0.000 0.000) 3.563 2.918 ( 0.332 0.000 0.000) 0.332 3.018 ( 10.019 0.000 0.000) 10.019 3.056 ( -9.278 0.000 0.000) 9.278 3.197 ( -7.034 0.000 0.000) 7.034 3.536 ( 0.367 0.000 0.000) 0.367 3.605 ( -7.734 0.000 0.000) 7.734 3.766 ( 3.032 0.000 0.000) 3.032 3.830 ( -1.238 0.000 0.000) 1.238 4.896 ( 5.204 0.000 0.000) 5.204 4.995 ( -4.689 0.000 0.000) 4.689 6.171 ( 13.665 0.000 0.000) 13.665 6.204 ( 16.408 0.000 0.000) 16.408 6.403 ( -10.340 0.000 0.000) 10.340 6.460 ( -10.068 0.000 0.000) 10.068 6.918 ( 28.729 0.000 0.000) 28.729 7.391 ( 11.031 0.000 0.000) 11.031 7.427 ( -19.360 0.000 0.000) 19.360 7.571 ( -8.118 0.000 0.000) 8.118 7.675 ( 1.549 0.000 0.000) 1.549 7.748 ( -9.068 0.000 0.000) 9.068 8.453 ( 18.539 0.000 0.000) 18.539 8.747 ( -9.384 0.000 0.000) 9.384 8.815 ( 4.714 0.000 0.000) 4.714 8.858 ( 0.042 0.000 0.000) 0.042 9.043 ( 0.989 0.000 0.000) 0.989 9.193 ( -14.331 0.000 0.000) 14.331 9.882 ( 1.457 0.000 0.000) 1.457 10.024 ( -9.767 0.000 0.000) 9.767 10.299 ( 14.332 0.000 0.000) 14.332 10.511 ( -6.894 0.000 0.000) 6.894 10.532 ( 2.966 0.000 0.000) 2.966 10.596 ( -2.235 0.000 0.000) 2.235 11.115 ( 4.159 0.000 0.000) 4.159 11.192 ( -3.023 0.000 0.000) 3.023 11.585 ( 14.955 0.000 0.000) 14.955 11.875 ( -15.007 0.000 0.000) 15.007 11.913 ( -0.811 0.000 0.000) 0.811 12.009 ( -8.382 0.000 0.000) 8.382 12.132 ( 8.478 0.000 0.000) 8.478 12.364 ( -12.858 0.000 0.000) 12.858 13.918 ( 6.380 0.000 0.000) 6.380 13.991 ( 0.682 0.000 0.000) 0.682 14.115 ( -0.100 0.000 0.000) 0.100 14.154 ( -1.738 0.000 0.000) 1.738 14.339 ( -1.184 0.000 0.000) 1.184 14.339 ( -1.562 0.000 0.000) 1.562 14.590 ( 6.642 0.000 0.000) 6.642 14.624 ( 2.508 0.000 0.000) 2.508 14.921 ( 11.496 0.000 0.000) 11.496 14.960 ( 3.539 0.000 0.000) 3.539 15.240 ( -8.260 0.000 0.000) 8.260 15.265 ( -7.520 0.000 0.000) 7.520 19.095 ( 17.675 0.000 0.000) 17.675 19.375 ( 1.811 0.000 0.000) 1.811 19.402 ( -13.847 0.000 0.000) 13.847 19.420 ( -2.862 0.000 0.000) 2.862 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 35.180 0.000) 35.180 0.832 ( 0.000 38.975 0.000) 38.975 1.356 ( 0.000 59.594 0.000) 59.594 2.648 ( 0.000 -1.487 0.000) 1.487 2.994 ( 0.000 -8.950 0.000) 8.950 3.248 ( 0.000 -12.020 0.000) 12.020 3.411 ( 0.000 -5.089 0.000) 5.089 3.465 ( 0.000 5.438 0.000) 5.438 3.657 ( 0.000 0.111 0.000) 0.111 3.703 ( 0.000 -6.346 0.000) 6.346 4.047 ( 0.000 7.084 0.000) 7.084 4.607 ( 0.000 -9.383 0.000) 9.383 4.942 ( 0.000 1.893 0.000) 1.893 5.021 ( 0.000 -0.637 0.000) 0.637 5.462 ( 0.000 3.498 0.000) 3.498 5.805 ( 0.000 12.306 0.000) 12.306 5.846 ( 0.000 -3.229 0.000) 3.229 6.146 ( 0.000 3.214 0.000) 3.214 6.850 ( 0.000 -6.232 0.000) 6.232 6.939 ( 0.000 22.723 0.000) 22.723 6.983 ( 0.000 -4.392 0.000) 4.392 7.348 ( 0.000 2.655 0.000) 2.655 8.123 ( 0.000 -9.460 0.000) 9.460 8.167 ( 0.000 5.568 0.000) 5.568 8.316 ( 0.000 4.121 0.000) 4.121 8.422 ( 0.000 -7.762 0.000) 7.762 8.873 ( 0.000 9.659 0.000) 9.659 9.062 ( 0.000 -8.931 0.000) 8.931 9.337 ( 0.000 2.668 0.000) 2.668 9.556 ( 0.000 -4.985 0.000) 4.985 9.660 ( 0.000 4.106 0.000) 4.106 9.817 ( 0.000 -9.228 0.000) 9.228 10.067 ( 0.000 -0.219 0.000) 0.219 10.474 ( 0.000 1.580 0.000) 1.580 10.503 ( 0.000 0.728 0.000) 0.728 10.962 ( 0.000 5.900 0.000) 5.900 11.028 ( 0.000 3.866 0.000) 3.866 11.035 ( 0.000 -10.268 0.000) 10.268 11.549 ( 0.000 -6.288 0.000) 6.288 11.878 ( 0.000 -8.621 0.000) 8.621 12.591 ( 0.000 -0.319 0.000) 0.319 12.837 ( 0.000 -7.458 0.000) 7.458 12.838 ( 0.000 4.507 0.000) 4.507 12.999 ( 0.000 -0.240 0.000) 0.240 13.432 ( 0.000 7.733 0.000) 7.733 13.507 ( 0.000 20.595 0.000) 20.595 13.810 ( 0.000 3.385 0.000) 3.385 13.851 ( 0.000 -0.645 0.000) 0.645 14.202 ( 0.000 3.994 0.000) 3.994 14.221 ( 0.000 -3.834 0.000) 3.834 14.438 ( 0.000 2.231 0.000) 2.231 14.487 ( 0.000 2.260 0.000) 2.260 14.622 ( 0.000 -0.713 0.000) 0.713 15.007 ( 0.000 -5.552 0.000) 5.552 15.156 ( 0.000 -4.904 0.000) 4.904 15.669 ( 0.000 -16.886 0.000) 16.886 18.228 ( 0.000 8.888 0.000) 8.888 18.952 ( 0.000 -3.403 0.000) 3.403 19.359 ( 0.000 1.470 0.000) 1.470 19.750 ( 0.000 -4.159 0.000) 4.159 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 21.179 23.430 0.000) 31.584 1.054 ( 22.248 25.489 0.000) 33.833 1.859 ( 41.500 41.823 0.000) 58.919 2.655 ( 0.825 -3.448 0.000) 3.545 2.966 ( -3.293 -9.111 0.000) 9.688 3.191 ( -5.336 -13.239 0.000) 14.274 3.363 ( -3.616 -4.028 0.000) 5.413 3.504 ( 1.813 1.781 0.000) 2.541 3.591 ( -5.611 2.340 0.000) 6.080 3.687 ( -1.449 -6.377 0.000) 6.540 3.944 ( -9.764 10.142 0.000) 14.078 4.503 ( -10.235 -8.079 0.000) 13.040 4.997 ( 5.350 3.073 0.000) 6.170 5.040 ( -14.225 31.418 0.000) 34.488 5.143 ( 11.921 -1.066 0.000) 11.968 5.586 ( -4.403 5.558 0.000) 7.090 6.161 ( 11.959 -12.501 0.000) 17.300 6.370 ( 13.753 1.499 0.000) 13.834 6.746 ( -5.837 -6.744 0.000) 8.919 6.928 ( -1.457 22.409 0.000) 22.457 7.233 ( 13.301 -8.948 0.000) 16.030 7.409 ( 6.188 2.329 0.000) 6.612 7.974 ( -9.192 1.107 0.000) 9.259 8.253 ( 2.464 -4.559 0.000) 5.182 8.351 ( -6.791 -5.637 0.000) 8.826 8.396 ( 5.563 -1.338 0.000) 5.722 8.847 ( -1.820 8.315 0.000) 8.512 9.027 ( -2.152 -3.085 0.000) 3.761 9.264 ( -2.550 13.076 0.000) 13.323 9.572 ( 2.848 -4.679 0.000) 5.478 9.755 ( 7.083 1.244 0.000) 7.192 9.983 ( 11.666 -5.122 0.000) 12.741 10.053 ( -1.192 2.573 0.000) 2.836 10.414 ( -0.931 -3.095 0.000) 3.232 10.592 ( -1.407 -7.767 0.000) 7.893 10.966 ( -5.583 2.351 0.000) 6.058 11.011 ( 4.553 3.489 0.000) 5.737 11.062 ( 1.721 -9.127 0.000) 9.288 11.443 ( -9.326 -2.621 0.000) 9.687 11.810 ( -5.393 -7.474 0.000) 9.217 12.371 ( -10.189 9.223 0.000) 13.743 12.715 ( -10.855 4.118 0.000) 11.610 12.865 ( -2.484 -6.048 0.000) 6.538 12.944 ( -7.265 -1.160 0.000) 7.357 13.507 ( 6.400 6.103 0.000) 8.844 13.746 ( 16.082 8.985 0.000) 18.422 13.814 ( 2.169 4.544 0.000) 5.035 13.905 ( 6.392 0.213 0.000) 6.395 14.208 ( 0.881 5.066 0.000) 5.142 14.210 ( -0.539 -2.045 0.000) 2.115 14.423 ( -0.925 2.150 0.000) 2.340 14.481 ( -0.718 2.255 0.000) 2.367 14.634 ( 0.929 -0.713 0.000) 1.171 14.986 ( -1.978 -5.144 0.000) 5.511 15.202 ( 4.142 -5.841 0.000) 7.161 15.608 ( -4.458 -14.035 0.000) 14.726 18.289 ( 6.614 7.689 0.000) 10.142 19.213 ( 13.486 -19.063 0.000) 23.351 19.358 ( -0.123 1.437 0.000) 1.442 19.740 ( -1.134 -4.068 0.000) 4.223 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 24.187 9.713 0.000) 26.064 1.565 ( 28.278 7.808 0.000) 29.337 2.625 ( 30.906 23.406 0.000) 38.769 2.679 ( 1.502 -6.782 0.000) 6.946 2.863 ( -7.186 -8.929 0.000) 11.462 3.088 ( -3.161 -13.792 0.000) 14.150 3.281 ( -5.211 -5.342 0.000) 7.463 3.410 ( -8.294 -1.440 0.000) 8.418 3.577 ( 1.851 4.846 0.000) 5.187 3.653 ( -2.111 -5.126 0.000) 5.544 3.742 ( -8.609 13.080 0.000) 15.659 4.238 ( -16.520 -5.439 0.000) 17.393 4.962 ( 1.700 24.204 0.000) 24.264 5.123 ( 6.933 6.892 0.000) 9.775 5.444 ( 18.430 -1.623 0.000) 18.501 5.660 ( 11.308 3.030 0.000) 11.706 6.264 ( 4.131 -4.043 0.000) 5.780 6.622 ( -2.952 -6.371 0.000) 7.021 6.770 ( 20.493 -1.161 0.000) 20.526 6.868 ( -5.159 19.967 0.000) 20.623 7.429 ( 7.963 -8.616 0.000) 11.733 7.562 ( 7.914 0.539 0.000) 7.933 7.818 ( -5.843 5.198 0.000) 7.820 8.177 ( -7.167 -3.849 0.000) 8.135 8.252 ( -4.973 0.009 0.000) 4.973 8.493 ( 4.563 -3.063 0.000) 5.496 8.823 ( -0.715 2.296 0.000) 2.405 8.990 ( -2.232 0.994 0.000) 2.443 9.244 ( -0.116 16.964 0.000) 16.964 9.681 ( 8.066 -4.102 0.000) 9.049 9.787 ( -6.488 -4.765 0.000) 8.050 10.081 ( 5.536 8.726 0.000) 10.334 10.163 ( 1.933 0.823 0.000) 2.101 10.412 ( 1.255 -7.729 0.000) 7.830 10.522 ( -0.508 -5.666 0.000) 5.688 10.820 ( -8.863 4.368 0.000) 9.881 11.070 ( -0.309 0.002 0.000) 0.309 11.088 ( 0.709 -11.145 0.000) 11.168 11.304 ( -1.822 3.512 0.000) 3.956 11.751 ( 0.698 -6.258 0.000) 6.297 12.202 ( -9.037 3.834 0.000) 9.817 12.472 ( -13.771 3.627 0.000) 14.241 12.700 ( -17.156 -1.344 0.000) 17.208 12.757 ( -8.275 -4.106 0.000) 9.238 13.648 ( 7.935 3.617 0.000) 8.721 13.836 ( 3.028 1.744 0.000) 3.494 14.065 ( 7.564 -1.561 0.000) 7.724 14.096 ( 13.961 3.717 0.000) 14.448 14.224 ( 5.046 3.468 0.000) 6.123 14.263 ( 6.238 8.432 0.000) 10.489 14.405 ( -1.111 1.490 0.000) 1.858 14.454 ( -2.073 1.832 0.000) 2.766 14.656 ( 1.490 -0.932 0.000) 1.758 14.939 ( -2.734 -4.725 0.000) 5.459 15.282 ( 3.300 -6.592 0.000) 7.372 15.508 ( -6.187 -11.134 0.000) 12.737 18.480 ( 12.893 5.108 0.000) 13.868 19.354 ( 2.865 -14.825 0.000) 15.099 19.354 ( -0.209 1.145 0.000) 1.164 19.697 ( -3.733 -3.743 0.000) 5.287 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 20.208 -0.007 0.000) 20.208 2.085 ( 24.886 -2.889 0.000) 25.053 2.671 ( -11.243 -10.169 0.000) 15.160 2.703 ( 0.709 -6.929 0.000) 6.965 2.904 ( 3.492 1.313 0.000) 3.730 3.112 ( 0.486 4.583 0.000) 4.609 3.148 ( -7.979 -5.363 0.000) 9.614 3.288 ( -4.429 -1.002 0.000) 4.541 3.600 ( 0.535 -0.371 0.000) 0.651 3.612 ( -1.857 -0.773 0.000) 2.011 3.686 ( 1.224 2.192 0.000) 2.511 3.906 ( -16.676 -2.055 0.000) 16.802 5.049 ( 6.945 22.111 0.000) 23.177 5.234 ( 4.009 13.380 0.000) 13.968 5.816 ( 19.283 -2.663 0.000) 19.466 5.938 ( 15.324 4.690 0.000) 16.026 6.462 ( 18.386 1.119 0.000) 18.420 6.536 ( -4.987 -5.797 0.000) 7.647 6.720 ( -10.099 14.430 0.000) 17.613 7.164 ( 17.546 0.240 0.000) 17.548 7.568 ( 7.324 -5.540 0.000) 9.183 7.582 ( -5.088 -2.721 0.000) 5.770 7.782 ( -2.611 8.224 0.000) 8.629 8.082 ( -11.651 4.333 0.000) 12.431 8.171 ( 8.865 1.392 0.000) 8.973 8.579 ( 4.371 -4.154 0.000) 6.030 8.816 ( -0.073 -2.658 0.000) 2.659 8.927 ( -4.234 0.105 0.000) 4.235 9.239 ( -1.102 17.328 0.000) 17.363 9.528 ( -16.310 0.285 0.000) 16.312 9.904 ( 12.948 -7.073 0.000) 14.754 10.013 ( -11.324 0.778 0.000) 11.351 10.160 ( -0.809 3.265 0.000) 3.363 10.434 ( -0.994 -7.952 0.000) 8.014 10.649 ( 9.721 0.850 0.000) 9.758 10.682 ( -3.107 9.955 0.000) 10.429 11.019 ( -2.546 -2.765 0.000) 3.759 11.092 ( -0.184 -11.913 0.000) 11.915 11.397 ( 9.636 4.168 0.000) 10.498 11.845 ( 8.376 -5.979 0.000) 10.291 12.020 ( -9.057 1.185 0.000) 9.134 12.198 ( -14.481 3.273 0.000) 14.846 12.339 ( -18.926 -0.552 0.000) 18.934 12.560 ( -11.903 -4.023 0.000) 12.564 13.801 ( 7.771 2.436 0.000) 8.144 13.916 ( 4.987 0.626 0.000) 5.026 14.143 ( 1.525 -1.458 0.000) 2.110 14.148 ( -1.674 -1.222 0.000) 2.072 14.377 ( -1.495 1.129 0.000) 1.873 14.400 ( -2.469 1.844 0.000) 3.082 14.456 ( 10.750 6.240 0.000) 12.430 14.501 ( 14.096 5.288 0.000) 15.055 14.711 ( 5.963 -0.858 0.000) 6.025 14.896 ( -1.119 -4.241 0.000) 4.386 15.304 ( -1.413 -5.846 0.000) 6.014 15.365 ( -8.630 -7.150 0.000) 11.207 18.769 ( 16.619 2.343 0.000) 16.783 19.351 ( -0.101 0.152 0.000) 0.183 19.372 ( -0.218 -9.329 0.000) 9.332 19.585 ( -8.082 -3.049 0.000) 8.638 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 14.206 -7.412 0.000) 16.024 2.445 ( -9.800 -11.682 0.000) 15.248 2.500 ( 15.257 -6.163 0.000) 16.455 2.690 ( -3.241 -5.126 0.000) 6.065 2.947 ( 0.625 0.446 0.000) 0.768 3.002 ( -6.452 -2.340 0.000) 6.864 3.108 ( 2.657 5.116 0.000) 5.765 3.202 ( -5.219 -0.864 0.000) 5.290 3.586 ( -0.285 0.189 0.000) 0.342 3.608 ( -0.071 -5.307 0.000) 5.308 3.664 ( -6.233 0.103 0.000) 6.234 3.675 ( -2.684 -6.389 0.000) 6.930 5.187 ( 6.172 23.451 0.000) 24.250 5.261 ( -1.314 20.253 0.000) 20.296 6.153 ( 14.952 -4.407 0.000) 15.588 6.214 ( 12.983 3.608 0.000) 13.475 6.406 ( -8.157 -3.337 0.000) 8.813 6.495 ( -12.747 8.951 0.000) 15.576 6.956 ( 29.647 4.111 0.000) 29.931 7.404 ( 8.204 -2.431 0.000) 8.556 7.433 ( -13.663 -1.268 0.000) 13.722 7.583 ( -14.645 3.092 0.000) 14.968 7.729 ( 8.740 5.967 0.000) 10.582 7.880 ( -7.800 11.345 0.000) 13.768 8.445 ( 15.380 -0.877 0.000) 15.405 8.629 ( -1.674 -5.676 0.000) 5.917 8.823 ( 0.828 -3.526 0.000) 3.622 8.848 ( -2.832 -1.371 0.000) 3.146 9.183 ( -3.377 12.436 0.000) 12.886 9.243 ( -10.798 4.933 0.000) 11.871 9.896 ( 1.186 1.337 0.000) 1.787 10.027 ( -9.700 -0.927 0.000) 9.745 10.160 ( 12.300 -7.793 0.000) 14.561 10.356 ( -7.334 -9.141 0.000) 11.720 10.720 ( 4.616 13.801 0.000) 14.552 10.769 ( 1.284 11.134 0.000) 11.208 11.019 ( 2.644 -8.691 0.000) 9.085 11.074 ( -2.008 -10.884 0.000) 11.067 11.628 ( 13.660 2.726 0.000) 13.930 11.899 ( -13.415 1.046 0.000) 13.456 11.909 ( -0.785 0.101 0.000) 0.791 12.022 ( -11.145 0.843 0.000) 11.177 12.069 ( 9.853 -4.809 0.000) 10.964 12.314 ( -13.303 -4.498 0.000) 14.043 13.937 ( 6.033 1.735 0.000) 6.277 13.997 ( 1.539 0.500 0.000) 1.618 14.111 ( -0.658 -0.445 0.000) 0.794 14.142 ( -1.693 -1.148 0.000) 2.046 14.350 ( -0.963 1.323 0.000) 1.637 14.353 ( -1.519 1.540 0.000) 2.163 14.617 ( 4.216 2.000 0.000) 4.666 14.631 ( 1.868 0.236 0.000) 1.883 14.912 ( 9.979 -0.541 0.000) 9.994 14.927 ( 4.430 -2.649 0.000) 5.162 15.200 ( -6.659 -3.587 0.000) 7.563 15.225 ( -6.143 -3.711 0.000) 7.177 19.094 ( 16.492 -0.040 0.000) 16.492 19.352 ( 0.277 -1.911 0.000) 1.931 19.362 ( -0.646 -5.101 0.000) 5.142 19.382 ( -13.013 -1.842 0.000) 13.143 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 31.742 0.000) 31.742 1.611 ( 0.000 35.152 0.000) 35.152 2.333 ( 0.000 28.602 0.000) 28.602 2.495 ( 0.000 -14.537 0.000) 14.537 2.824 ( 0.000 -6.167 0.000) 6.167 2.904 ( 0.000 -19.283 0.000) 19.283 3.354 ( 0.000 0.897 0.000) 0.897 3.508 ( 0.000 -2.395 0.000) 2.395 3.660 ( 0.000 6.124 0.000) 6.124 3.771 ( 0.000 11.429 0.000) 11.429 4.130 ( 0.000 -1.328 0.000) 1.328 4.360 ( 0.000 -13.652 0.000) 13.652 4.969 ( 0.000 0.740 0.000) 0.740 5.003 ( 0.000 -1.000 0.000) 1.000 5.550 ( 0.000 4.701 0.000) 4.701 5.759 ( 0.000 -4.874 0.000) 4.874 6.123 ( 0.000 16.596 0.000) 16.596 6.242 ( 0.000 6.036 0.000) 6.036 6.679 ( 0.000 -9.231 0.000) 9.231 6.829 ( 0.000 -10.477 0.000) 10.477 7.391 ( 0.000 10.150 0.000) 10.150 7.596 ( 0.000 27.991 0.000) 27.991 7.866 ( 0.000 -13.568 0.000) 13.568 8.289 ( 0.000 -6.343 0.000) 6.343 8.329 ( 0.000 10.476 0.000) 10.476 8.442 ( 0.000 7.713 0.000) 7.713 8.852 ( 0.000 -10.711 0.000) 10.711 8.973 ( 0.000 -3.867 0.000) 3.867 9.382 ( 0.000 2.102 0.000) 2.102 9.437 ( 0.000 -3.205 0.000) 3.205 9.606 ( 0.000 -9.625 0.000) 9.625 9.655 ( 0.000 -5.283 0.000) 5.283 10.172 ( 0.000 10.593 0.000) 10.593 10.513 ( 0.000 1.788 0.000) 1.788 10.525 ( 0.000 1.147 0.000) 1.147 10.757 ( 0.000 -15.128 0.000) 15.128 11.097 ( 0.000 6.645 0.000) 6.645 11.157 ( 0.000 8.588 0.000) 8.588 11.395 ( 0.000 -7.824 0.000) 7.824 11.650 ( 0.000 -12.530 0.000) 12.530 12.591 ( 0.000 0.574 0.000) 0.574 12.706 ( 0.000 -5.106 0.000) 5.106 12.926 ( 0.000 3.373 0.000) 3.373 12.992 ( 0.000 -0.498 0.000) 0.498 13.625 ( 0.000 9.585 0.000) 9.585 13.842 ( 0.000 -0.650 0.000) 0.650 13.888 ( 0.000 6.363 0.000) 6.363 14.018 ( 0.000 24.880 0.000) 24.880 14.125 ( 0.000 -5.209 0.000) 5.209 14.312 ( 0.000 6.612 0.000) 6.612 14.484 ( 0.000 1.922 0.000) 1.922 14.537 ( 0.000 1.340 0.000) 1.340 14.603 ( 0.000 -0.777 0.000) 0.777 14.871 ( 0.000 -5.709 0.000) 5.709 15.018 ( 0.000 -7.781 0.000) 7.781 15.211 ( 0.000 -25.494 0.000) 25.494 18.449 ( 0.000 11.292 0.000) 11.292 18.846 ( 0.000 -6.740 0.000) 6.740 19.410 ( 0.000 3.536 0.000) 3.536 19.636 ( 0.000 -6.263 0.000) 6.263 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.761 26.874 0.000) 27.972 1.664 ( 6.098 30.232 0.000) 30.841 2.479 ( -1.393 -14.448 0.000) 14.515 2.552 ( 17.752 13.972 0.000) 22.591 2.778 ( -3.373 -7.831 0.000) 8.526 2.893 ( -1.579 -11.400 0.000) 11.509 3.302 ( -4.735 0.070 0.000) 4.735 3.462 ( -5.037 -4.319 0.000) 6.635 3.668 ( 1.138 8.664 0.000) 8.738 3.766 ( -0.486 11.849 0.000) 11.859 4.090 ( -4.473 1.856 0.000) 4.843 4.292 ( -6.961 -11.631 0.000) 13.555 5.049 ( 8.024 1.886 0.000) 8.243 5.115 ( 11.161 -1.517 0.000) 11.264 5.491 ( 0.479 11.934 0.000) 11.944 5.749 ( -11.504 4.540 0.000) 12.368 6.016 ( 8.933 3.816 0.000) 9.714 6.435 ( 9.446 3.897 0.000) 10.218 6.577 ( -4.769 -7.808 0.000) 9.149 6.999 ( 10.660 -13.595 0.000) 17.276 7.431 ( 2.462 13.761 0.000) 13.979 7.567 ( -2.190 19.508 0.000) 19.630 7.892 ( 2.748 -6.888 0.000) 7.416 8.196 ( -7.060 -2.332 0.000) 7.435 8.332 ( -1.202 5.657 0.000) 5.784 8.467 ( 2.592 6.643 0.000) 7.131 8.860 ( 0.916 -10.159 0.000) 10.201 8.920 ( -4.850 -4.386 0.000) 6.539 9.477 ( 4.221 -2.158 0.000) 4.740 9.481 ( 9.258 7.834 0.000) 12.128 9.691 ( 2.458 -6.582 0.000) 7.026 9.811 ( 17.737 -9.512 0.000) 20.127 10.205 ( 3.144 10.927 0.000) 11.370 10.410 ( -7.321 2.134 0.000) 7.626 10.506 ( -4.491 -2.196 0.000) 4.999 10.768 ( 0.851 -15.024 0.000) 15.048 11.106 ( -4.975 8.621 0.000) 9.953 11.113 ( 1.288 5.353 0.000) 5.506 11.347 ( -4.166 -5.661 0.000) 7.029 11.602 ( -3.959 -11.982 0.000) 12.619 12.494 ( -8.000 4.128 0.000) 9.002 12.716 ( -1.183 -7.152 0.000) 7.250 12.804 ( -10.932 3.870 0.000) 11.597 12.913 ( -8.757 -1.782 0.000) 8.937 13.669 ( 3.902 8.645 0.000) 9.485 13.888 ( -0.008 5.181 0.000) 5.181 13.903 ( 5.850 -1.127 0.000) 5.958 14.055 ( 2.255 6.470 0.000) 6.851 14.199 ( 8.473 10.261 0.000) 13.307 14.348 ( 3.756 7.926 0.000) 8.771 14.480 ( -0.514 2.784 0.000) 2.831 14.544 ( 0.128 2.951 0.000) 2.954 14.610 ( 0.589 -1.240 0.000) 1.373 14.855 ( -1.558 -5.953 0.000) 6.154 15.038 ( 2.083 -9.330 0.000) 9.560 15.205 ( -0.391 -23.014 0.000) 23.018 18.489 ( 4.325 10.552 0.000) 11.404 18.923 ( 6.577 -10.792 0.000) 12.638 19.408 ( -0.285 3.461 0.000) 3.473 19.629 ( -0.862 -6.129 0.000) 6.189 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 10.947 16.254 0.000) 19.596 1.845 ( 12.063 17.561 0.000) 21.304 2.456 ( -0.671 -14.697 0.000) 14.712 2.618 ( -7.186 -14.944 0.000) 16.582 2.850 ( -1.547 -5.881 0.000) 6.081 2.926 ( 11.492 -0.156 0.000) 11.493 3.195 ( -6.095 -1.380 0.000) 6.249 3.333 ( -7.222 -5.041 0.000) 8.807 3.703 ( 1.301 12.649 0.000) 12.716 3.741 ( -2.529 9.448 0.000) 9.781 3.964 ( -7.540 6.190 0.000) 9.755 4.105 ( -11.950 -7.176 0.000) 13.939 5.252 ( 12.213 5.040 0.000) 13.212 5.399 ( 17.346 -2.582 0.000) 17.537 5.511 ( 0.012 24.863 0.000) 24.863 5.754 ( 14.625 5.655 0.000) 15.681 6.213 ( 10.698 -0.968 0.000) 10.742 6.458 ( -3.230 -9.211 0.000) 9.761 6.734 ( 17.902 -0.024 0.000) 17.902 7.178 ( 8.609 -14.898 0.000) 17.207 7.347 ( -10.753 20.542 0.000) 23.186 7.588 ( 1.358 1.521 0.000) 2.039 7.960 ( 4.064 8.180 0.000) 9.134 8.106 ( 0.524 -2.281 0.000) 2.340 8.277 ( -4.658 4.423 0.000) 6.423 8.529 ( 3.386 5.424 0.000) 6.394 8.812 ( -5.943 -5.541 0.000) 8.125 8.876 ( 0.199 -8.521 0.000) 8.523 9.592 ( 7.374 -2.938 0.000) 7.938 9.656 ( 6.426 18.698 0.000) 19.771 9.691 ( -3.497 -4.737 0.000) 5.888 10.163 ( 13.794 -2.982 0.000) 14.112 10.260 ( -5.882 -4.259 0.000) 7.262 10.265 ( 1.866 8.835 0.000) 9.030 10.390 ( -4.653 -6.287 0.000) 7.822 10.776 ( -0.079 -15.648 0.000) 15.648 10.993 ( -5.375 10.857 0.000) 12.115 11.113 ( -2.341 3.376 0.000) 4.108 11.296 ( 0.841 -3.448 0.000) 3.549 11.559 ( 0.898 -11.898 0.000) 11.932 12.311 ( -10.711 6.436 0.000) 12.496 12.554 ( -14.312 3.779 0.000) 14.803 12.632 ( -7.514 -7.496 0.000) 10.614 12.666 ( -16.105 -1.877 0.000) 16.214 13.765 ( 5.877 7.261 0.000) 9.341 13.899 ( 1.487 4.106 0.000) 4.367 14.023 ( 5.483 -3.072 0.000) 6.285 14.087 ( 1.228 -3.487 0.000) 3.697 14.412 ( 10.152 11.350 0.000) 15.228 14.454 ( 6.408 7.941 0.000) 10.204 14.471 ( 1.430 5.667 0.000) 5.845 14.528 ( -1.285 5.967 0.000) 6.104 14.626 ( 1.482 -1.199 0.000) 1.906 14.817 ( -2.082 -5.601 0.000) 5.975 15.093 ( 3.165 -11.042 0.000) 11.486 15.198 ( -0.627 -17.590 0.000) 17.602 18.621 ( 9.432 8.120 0.000) 12.445 19.050 ( 6.062 -13.088 0.000) 14.424 19.396 ( -1.020 2.975 0.000) 3.145 19.595 ( -3.010 -5.602 0.000) 6.359 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 9.683 5.594 0.000) 11.183 2.096 ( 13.115 4.182 0.000) 13.766 2.458 ( -3.687 -12.849 0.000) 13.367 2.458 ( -4.317 -12.470 0.000) 13.196 2.851 ( 2.343 -3.224 0.000) 3.986 3.043 ( 1.659 -10.942 0.000) 11.067 3.077 ( -5.613 -0.573 0.000) 5.643 3.215 ( -5.035 -5.072 0.000) 7.147 3.659 ( -5.127 9.480 0.000) 10.777 3.665 ( -4.975 5.711 0.000) 7.574 3.832 ( -6.607 4.621 0.000) 8.063 3.864 ( -11.901 -2.457 0.000) 12.152 5.485 ( 11.153 9.605 0.000) 14.718 5.592 ( 6.904 26.274 0.000) 27.166 5.743 ( 17.490 -4.157 0.000) 17.977 6.071 ( 14.310 6.484 0.000) 15.711 6.409 ( -1.049 -4.872 0.000) 4.984 6.524 ( 23.059 3.229 0.000) 23.284 7.083 ( -15.779 17.272 0.000) 23.395 7.087 ( 15.404 -4.956 0.000) 16.181 7.401 ( 17.118 -10.964 0.000) 20.328 7.507 ( -8.387 -4.746 0.000) 9.636 8.045 ( -3.072 17.012 0.000) 17.287 8.175 ( -1.363 3.878 0.000) 4.111 8.206 ( 8.647 1.655 0.000) 8.804 8.583 ( 1.854 3.968 0.000) 4.380 8.712 ( -3.508 -8.023 0.000) 8.756 8.851 ( -2.830 -5.947 0.000) 6.587 9.548 ( -10.088 1.839 0.000) 10.254 9.664 ( -5.903 20.494 0.000) 21.328 9.748 ( 8.019 -7.458 0.000) 10.951 10.035 ( -9.951 1.046 0.000) 10.006 10.238 ( -4.519 5.270 0.000) 6.942 10.278 ( -2.138 -5.651 0.000) 6.042 10.558 ( 14.686 -9.843 0.000) 17.680 10.764 ( -0.876 -17.658 0.000) 17.680 10.969 ( 3.406 16.288 0.000) 16.640 11.050 ( -2.464 6.146 0.000) 6.622 11.394 ( 8.666 -4.976 0.000) 9.993 11.648 ( 7.664 -12.798 0.000) 14.917 12.101 ( -10.453 6.683 0.000) 12.407 12.271 ( -14.706 3.202 0.000) 15.051 12.332 ( -17.482 -0.199 0.000) 17.483 12.440 ( -11.895 -7.225 0.000) 13.917 13.883 ( 6.116 5.304 0.000) 8.095 13.949 ( 3.494 2.611 0.000) 4.362 14.097 ( 2.158 -3.202 0.000) 3.861 14.100 ( 0.052 -3.337 0.000) 3.337 14.430 ( -1.408 3.836 0.000) 4.086 14.459 ( -2.942 3.855 0.000) 4.849 14.584 ( 2.242 -0.144 0.000) 2.247 14.600 ( 4.546 4.928 0.000) 6.705 14.740 ( 10.853 6.046 0.000) 12.424 14.804 ( 2.020 -1.971 0.000) 2.822 15.137 ( 0.971 -9.695 0.000) 9.743 15.168 ( -2.669 -10.981 0.000) 11.301 18.841 ( 12.995 4.615 0.000) 13.790 19.154 ( 4.832 -10.375 0.000) 11.445 19.366 ( -2.182 1.483 0.000) 2.638 19.503 ( -6.653 -4.389 0.000) 7.970 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 8.085 -1.774 0.000) 8.277 2.239 ( -4.946 -5.910 0.000) 7.706 2.370 ( 5.610 -6.769 0.000) 8.791 2.461 ( -1.627 -14.703 0.000) 14.793 2.927 ( 4.405 -1.530 0.000) 4.663 2.994 ( -3.210 0.778 0.000) 3.303 3.052 ( 1.020 -8.669 0.000) 8.729 3.120 ( -5.129 -5.575 0.000) 7.575 3.576 ( -2.373 5.259 0.000) 5.770 3.581 ( -2.761 3.592 0.000) 4.531 3.697 ( -4.432 0.574 0.000) 4.469 3.709 ( -4.961 1.924 0.000) 5.321 5.652 ( 5.666 15.082 0.000) 16.111 5.690 ( 1.923 21.230 0.000) 21.317 6.040 ( 12.697 -6.174 0.000) 14.118 6.203 ( -2.714 -5.917 0.000) 6.509 6.482 ( 11.371 11.972 0.000) 16.511 6.767 ( -16.486 15.868 0.000) 22.882 7.026 ( 23.328 -2.864 0.000) 23.503 7.322 ( -10.711 -8.698 0.000) 13.798 7.349 ( 16.378 3.766 0.000) 16.805 7.760 ( -21.617 12.838 0.000) 25.142 7.802 ( 21.056 -2.767 0.000) 21.237 8.115 ( -9.915 7.195 0.000) 12.251 8.426 ( 11.402 0.653 0.000) 11.421 8.577 ( -3.560 1.570 0.000) 3.891 8.712 ( 3.109 -6.830 0.000) 7.505 8.781 ( -3.795 -4.507 0.000) 5.892 9.394 ( -2.998 9.184 0.000) 9.661 9.480 ( -10.238 14.352 0.000) 17.629 9.865 ( 3.273 -11.899 0.000) 12.341 9.908 ( -3.275 -2.688 0.000) 4.236 10.166 ( -0.459 6.842 0.000) 6.857 10.219 ( -3.997 -0.278 0.000) 4.006 10.742 ( 3.697 -15.269 0.000) 15.710 10.760 ( 0.223 -17.265 0.000) 17.266 11.061 ( 3.852 17.624 0.000) 18.040 11.062 ( 2.880 14.622 0.000) 14.903 11.605 ( 12.462 -6.463 0.000) 14.038 11.777 ( 0.423 -12.977 0.000) 12.984 11.955 ( -3.044 4.630 0.000) 5.541 12.031 ( -9.642 2.177 0.000) 9.885 12.060 ( -4.957 1.198 0.000) 5.100 12.198 ( -12.468 -6.027 0.000) 13.848 13.986 ( 4.191 2.871 0.000) 5.080 14.014 ( 2.135 1.206 0.000) 2.452 14.091 ( -0.475 -1.591 0.000) 1.660 14.106 ( -0.977 -2.218 0.000) 2.423 14.406 ( -0.721 4.115 0.000) 4.178 14.412 ( -1.496 4.198 0.000) 4.456 14.606 ( 0.882 -3.064 0.000) 3.188 14.624 ( -0.742 -2.552 0.000) 2.657 14.900 ( 5.991 1.570 0.000) 6.194 14.923 ( 5.924 2.114 0.000) 6.290 15.104 ( -2.805 -5.182 0.000) 5.892 15.120 ( -2.531 -6.023 0.000) 6.533 19.100 ( 13.362 0.911 0.000) 13.393 19.240 ( 4.147 -5.787 0.000) 7.119 19.312 ( -3.340 -1.484 0.000) 3.654 19.336 ( -10.711 -2.223 0.000) 10.939 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 -25.773 0.000) 25.773 2.061 ( 0.000 25.773 0.000) 25.773 2.275 ( 0.000 -26.884 0.000) 26.884 2.275 ( 0.000 26.884 0.000) 26.884 2.741 ( 0.000 -2.612 0.000) 2.612 2.741 ( 0.000 2.612 0.000) 2.612 3.425 ( 0.000 -4.597 0.000) 4.597 3.425 ( 0.000 4.597 0.000) 4.597 3.946 ( 0.000 -15.423 0.000) 15.423 3.946 ( 0.000 15.423 0.000) 15.423 4.057 ( 0.000 -14.823 0.000) 14.823 4.057 ( 0.000 14.823 0.000) 14.823 4.983 ( 0.000 -0.792 0.000) 0.792 4.983 ( 0.000 0.792 0.000) 0.792 5.653 ( 0.000 -5.104 0.000) 5.104 5.653 ( 0.000 5.104 0.000) 5.104 6.363 ( 0.000 -1.015 0.000) 1.015 6.363 ( 0.000 1.015 0.000) 1.015 6.589 ( 0.000 -7.751 0.000) 7.751 6.589 ( 0.000 7.751 0.000) 7.751 7.599 ( 0.000 -11.415 0.000) 11.415 7.599 ( 0.000 11.415 0.000) 11.415 8.092 ( 0.000 -15.019 0.000) 15.019 8.092 ( 0.000 15.019 0.000) 15.019 8.630 ( 0.000 -10.122 0.000) 10.122 8.630 ( 0.000 10.122 0.000) 10.122 8.661 ( 0.000 -20.686 0.000) 20.686 8.661 ( 0.000 20.686 0.000) 20.686 9.450 ( 0.000 -5.067 0.000) 5.067 9.450 ( 0.000 5.067 0.000) 5.067 9.504 ( 0.000 -7.353 0.000) 7.353 9.504 ( 0.000 7.353 0.000) 7.353 10.444 ( 0.000 -14.369 0.000) 14.369 10.444 ( 0.000 14.369 0.000) 14.369 10.537 ( 0.000 -0.299 0.000) 0.299 10.537 ( 0.000 0.299 0.000) 0.299 11.238 ( 0.000 -7.045 0.000) 7.045 11.238 ( 0.000 7.045 0.000) 7.045 11.382 ( 0.000 -12.461 0.000) 12.461 11.382 ( 0.000 12.461 0.000) 12.461 12.624 ( 0.000 -2.699 0.000) 2.699 12.624 ( 0.000 2.699 0.000) 2.699 12.974 ( 0.000 -1.357 0.000) 1.357 12.974 ( 0.000 1.357 0.000) 1.357 13.787 ( 0.000 -5.258 0.000) 5.258 13.787 ( 0.000 5.258 0.000) 5.258 14.009 ( 0.000 -5.718 0.000) 5.718 14.009 ( 0.000 5.718 0.000) 5.718 14.469 ( 0.000 -7.345 0.000) 7.345 14.469 ( 0.000 7.345 0.000) 7.345 14.477 ( 0.000 -8.060 0.000) 8.060 14.477 ( 0.000 8.060 0.000) 8.060 14.688 ( 0.000 -18.417 0.000) 18.417 14.688 ( 0.000 18.417 0.000) 18.417 14.867 ( 0.000 -5.328 0.000) 5.328 14.867 ( 0.000 5.328 0.000) 5.328 18.673 ( 0.000 -9.711 0.000) 9.711 18.673 ( 0.000 9.711 0.000) 9.711 19.507 ( 0.000 -5.672 0.000) 5.672 19.507 ( 0.000 5.672 0.000) 5.672 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.910 -23.588 0.000) 23.606 2.070 ( 0.910 23.588 0.000) 23.606 2.260 ( -1.223 -25.818 0.000) 25.847 2.260 ( -1.223 25.818 0.000) 25.847 2.789 ( 3.698 -2.002 0.000) 4.205 2.789 ( 3.698 2.002 0.000) 4.205 3.362 ( -5.911 -4.669 0.000) 7.533 3.362 ( -5.911 4.669 0.000) 7.533 3.968 ( 1.596 -13.436 0.000) 13.530 3.968 ( 1.596 13.436 0.000) 13.530 4.031 ( -2.952 -13.002 0.000) 13.333 4.031 ( -2.952 13.002 0.000) 13.333 5.083 ( 9.980 -1.519 0.000) 10.095 5.083 ( 9.980 1.519 0.000) 10.095 5.669 ( 3.251 -7.043 0.000) 7.757 5.669 ( 3.251 7.043 0.000) 7.757 6.282 ( -4.598 -14.123 0.000) 14.852 6.282 ( -4.598 14.123 0.000) 14.852 6.693 ( 7.839 -13.927 0.000) 15.982 6.693 ( 7.839 13.927 0.000) 15.982 7.625 ( 1.673 -8.883 0.000) 9.039 7.625 ( 1.673 8.883 0.000) 9.039 8.057 ( -2.609 -11.932 0.000) 12.214 8.057 ( -2.609 11.932 0.000) 12.214 8.627 ( -3.234 -19.719 0.000) 19.983 8.627 ( -3.234 19.720 0.000) 19.983 8.644 ( 1.618 -9.865 0.000) 9.996 8.644 ( 1.618 9.865 0.000) 9.996 9.538 ( 3.063 -6.706 0.000) 7.372 9.538 ( 3.063 6.706 0.000) 7.372 9.632 ( 16.681 -7.446 0.000) 18.267 9.632 ( 16.681 7.446 0.000) 18.267 10.463 ( -7.338 -2.357 0.000) 7.707 10.463 ( -7.338 2.357 0.000) 7.707 10.464 ( 1.623 -13.546 0.000) 13.642 10.464 ( 1.623 13.546 0.000) 13.642 11.227 ( -1.198 -5.612 0.000) 5.739 11.227 ( -1.198 5.612 0.000) 5.739 11.336 ( -4.076 -12.677 0.000) 13.316 11.336 ( -4.076 12.677 0.000) 13.316 12.586 ( -4.032 -5.160 0.000) 6.549 12.586 ( -4.032 5.160 0.000) 6.549 12.869 ( -10.103 -2.487 0.000) 10.404 12.869 ( -10.103 2.487 0.000) 10.404 13.831 ( 4.011 -5.995 0.000) 7.213 13.831 ( 4.011 5.995 0.000) 7.213 13.998 ( -0.755 -5.133 0.000) 5.189 13.998 ( -0.755 5.133 0.000) 5.189 14.506 ( 2.132 -3.531 0.000) 4.125 14.506 ( 2.132 3.531 0.000) 4.125 14.513 ( 3.861 -6.610 0.000) 7.655 14.513 ( 3.861 6.610 0.000) 7.655 14.716 ( 3.326 -20.041 0.000) 20.315 14.716 ( 3.326 20.041 0.000) 20.315 14.853 ( -1.045 -6.597 0.000) 6.679 14.853 ( -1.045 6.597 0.000) 6.679 18.708 ( 3.668 -10.286 0.000) 10.920 18.708 ( 3.668 10.286 0.000) 10.920 19.503 ( -0.545 -5.553 0.000) 5.580 19.503 ( -0.545 5.553 0.000) 5.580 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.701 -18.606 0.000) 18.684 2.095 ( 1.701 18.606 0.000) 18.684 2.243 ( -0.198 -19.558 0.000) 19.559 2.243 ( -0.198 19.558 0.000) 19.559 2.839 ( 1.240 -3.988 0.000) 4.176 2.839 ( 1.240 3.988 0.000) 4.176 3.230 ( -6.918 -4.082 0.000) 8.032 3.230 ( -6.918 4.082 0.000) 8.032 3.937 ( -6.780 -8.906 0.000) 11.193 3.937 ( -6.780 8.906 0.000) 11.193 3.957 ( -3.808 -7.365 0.000) 8.291 3.957 ( -3.808 7.365 0.000) 8.291 5.338 ( 15.495 -3.368 0.000) 15.857 5.338 ( 15.495 3.368 0.000) 15.857 5.831 ( 12.711 -2.637 0.000) 12.982 5.831 ( 12.711 2.637 0.000) 12.982 6.260 ( 3.520 -7.707 0.000) 8.473 6.260 ( 3.520 7.707 0.000) 8.473 6.864 ( 10.561 -12.701 0.000) 16.519 6.864 ( 10.561 12.701 0.000) 16.519 7.583 ( -7.609 -3.563 0.000) 8.402 7.583 ( -7.609 3.563 0.000) 8.402 8.073 ( 5.815 -2.132 0.000) 6.193 8.073 ( 5.815 2.132 0.000) 6.193 8.546 ( -5.116 -18.067 0.000) 18.778 8.546 ( -5.116 18.067 0.000) 18.778 8.686 ( 2.153 -8.935 0.000) 9.191 8.686 ( 2.153 8.935 0.000) 9.191 9.598 ( 2.512 -3.312 0.000) 4.157 9.598 ( 2.512 3.312 0.000) 4.157 9.985 ( 16.930 -12.510 0.000) 21.050 9.985 ( 16.930 12.510 0.000) 21.050 10.279 ( -10.461 -3.870 0.000) 11.154 10.279 ( -10.461 3.870 0.000) 11.154 10.475 ( -1.247 -12.074 0.000) 12.139 10.475 ( -1.247 12.074 0.000) 12.139 11.201 ( -0.945 -4.857 0.000) 4.948 11.201 ( -0.945 4.857 0.000) 4.948 11.274 ( -0.875 -14.612 0.000) 14.638 11.274 ( -0.875 14.612 0.000) 14.638 12.465 ( -8.549 -8.011 0.000) 11.716 12.465 ( -8.549 8.011 0.000) 11.716 12.620 ( -14.982 -2.557 0.000) 15.199 12.620 ( -14.982 2.557 0.000) 15.199 13.920 ( 4.828 -6.727 0.000) 8.280 13.920 ( 4.828 6.727 0.000) 8.280 13.995 ( 0.665 -4.816 0.000) 4.861 13.995 ( 0.665 4.816 0.000) 4.861 14.529 ( 0.151 -3.144 0.000) 3.148 14.529 ( 0.151 3.144 0.000) 3.148 14.574 ( 1.385 -4.142 0.000) 4.367 14.574 ( 1.385 4.142 0.000) 4.367 14.816 ( 6.417 -17.765 0.000) 18.889 14.816 ( 6.417 17.765 0.000) 18.889 14.854 ( 1.884 -10.188 0.000) 10.360 14.854 ( 1.884 10.188 0.000) 10.360 18.811 ( 6.884 -10.058 0.000) 12.188 18.811 ( 6.884 10.058 0.000) 12.188 19.480 ( -2.034 -4.984 0.000) 5.383 19.480 ( -2.034 4.984 0.000) 5.383 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 2.138 -13.886 0.000) 14.050 2.132 ( 2.138 13.886 0.000) 14.050 2.249 ( 0.282 -9.742 0.000) 9.746 2.249 ( 0.282 9.742 0.000) 9.746 2.858 ( 1.659 -4.864 0.000) 5.139 2.858 ( 1.659 4.864 0.000) 5.139 3.116 ( -4.830 -3.803 0.000) 6.147 3.116 ( -4.830 3.803 0.000) 6.147 3.787 ( -8.091 -5.089 0.000) 9.559 3.787 ( -8.091 5.089 0.000) 9.559 3.830 ( -8.238 -4.839 0.000) 9.554 3.830 ( -8.238 4.839 0.000) 9.554 5.641 ( 15.139 -5.816 0.000) 16.218 5.641 ( 15.139 5.816 0.000) 16.218 6.019 ( 4.433 -13.017 0.000) 13.751 6.019 ( 4.433 13.017 0.000) 13.751 6.468 ( 16.929 -8.451 0.000) 18.921 6.468 ( 16.929 8.451 0.000) 18.921 7.141 ( 19.319 -10.997 0.000) 22.229 7.141 ( 19.319 10.997 0.000) 22.229 7.364 ( -13.694 -9.560 0.000) 16.701 7.364 ( -13.694 9.560 0.000) 16.701 8.217 ( 4.136 -0.871 0.000) 4.226 8.217 ( 4.136 0.871 0.000) 4.226 8.445 ( -2.729 -17.556 0.000) 17.767 8.445 ( -2.729 17.556 0.000) 17.767 8.708 ( -0.158 -7.159 0.000) 7.160 8.708 ( -0.158 7.159 0.000) 7.160 9.615 ( -0.764 -4.827 0.000) 4.888 9.615 ( -0.764 4.827 0.000) 4.888 9.987 ( -12.811 -8.218 0.000) 15.220 9.987 ( -12.811 8.218 0.000) 15.220 10.310 ( 9.231 -10.322 0.000) 13.848 10.310 ( 9.231 10.322 0.000) 13.848 10.425 ( -2.733 -13.177 0.000) 13.458 10.425 ( -2.733 13.177 0.000) 13.458 11.228 ( 4.752 -9.516 0.000) 10.637 11.228 ( 4.752 9.516 0.000) 10.637 11.328 ( 5.999 -17.093 0.000) 18.115 11.328 ( 5.999 17.093 0.000) 18.115 12.270 ( -11.155 -8.694 0.000) 14.143 12.270 ( -11.155 8.694 0.000) 14.143 12.319 ( -15.625 -1.348 0.000) 15.683 12.319 ( -15.625 1.348 0.000) 15.683 14.004 ( 3.594 -5.566 0.000) 6.625 14.004 ( 3.594 5.566 0.000) 6.625 14.020 ( 1.682 -3.962 0.000) 4.305 14.020 ( 1.682 3.962 0.000) 4.305 14.521 ( -0.675 -4.428 0.000) 4.479 14.521 ( -0.675 4.428 0.000) 4.479 14.560 ( -2.073 -5.414 0.000) 5.797 14.560 ( -2.073 5.414 0.000) 5.797 14.922 ( 4.315 -10.120 0.000) 11.001 14.922 ( 4.315 10.120 0.000) 11.001 14.933 ( 5.093 -10.971 0.000) 12.095 14.933 ( 5.093 10.971 0.000) 12.095 18.966 ( 8.928 -7.426 0.000) 11.613 18.966 ( 8.928 7.426 0.000) 11.613 19.418 ( -4.574 -3.485 0.000) 5.750 19.418 ( -4.574 3.485 0.000) 5.750 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 2.818 -10.026 0.000) 10.415 2.180 ( 2.818 10.026 0.000) 10.415 2.232 ( -2.163 -4.758 0.000) 5.227 2.232 ( -2.163 4.758 0.000) 5.227 2.925 ( 5.212 -2.433 0.000) 5.752 2.925 ( 5.212 2.433 0.000) 5.752 3.029 ( -4.869 -2.841 0.000) 5.637 3.029 ( -4.869 2.841 0.000) 5.637 3.668 ( -3.074 -3.339 0.000) 4.539 3.668 ( -3.074 3.339 0.000) 4.539 3.690 ( -5.107 -3.802 0.000) 6.367 3.690 ( -5.107 3.802 0.000) 6.367 5.890 ( 10.223 -8.573 0.000) 13.342 5.890 ( 10.223 8.573 0.000) 13.342 6.023 ( -3.460 -11.430 0.000) 11.942 6.023 ( -3.460 11.430 0.000) 11.942 6.795 ( 15.946 -15.491 0.000) 22.231 6.795 ( 15.946 15.491 0.000) 22.231 7.087 ( -14.778 -13.653 0.000) 20.119 7.087 ( -14.778 13.653 0.000) 20.119 7.595 ( 25.842 -14.598 0.000) 29.681 7.595 ( 25.842 14.598 0.000) 29.681 8.044 ( -18.771 -11.782 0.000) 22.162 8.044 ( -18.771 11.782 0.000) 22.162 8.547 ( 8.424 -8.647 0.000) 12.072 8.547 ( 8.424 8.647 0.000) 12.072 8.670 ( -4.023 -5.807 0.000) 7.064 8.670 ( -4.023 5.807 0.000) 7.064 9.613 ( 2.444 -11.603 0.000) 11.858 9.613 ( 2.444 11.603 0.000) 11.858 9.745 ( -10.869 -10.951 0.000) 15.429 9.745 ( -10.869 10.951 0.000) 15.429 10.402 ( 0.253 -15.317 0.000) 15.319 10.402 ( 0.253 15.317 0.000) 15.319 10.404 ( 1.160 -15.128 0.000) 15.172 10.404 ( 1.160 15.128 0.000) 15.172 11.376 ( 8.618 -14.254 0.000) 16.657 11.376 ( 8.618 14.254 0.000) 16.657 11.442 ( 3.198 -17.977 0.000) 18.259 11.442 ( 3.198 17.977 0.000) 18.259 12.067 ( -8.328 -0.734 0.000) 8.361 12.067 ( -8.328 0.734 0.000) 8.361 12.072 ( -7.710 -5.984 0.000) 9.760 12.072 ( -7.710 5.984 0.000) 9.760 14.049 ( 1.057 -2.099 0.000) 2.350 14.049 ( 1.057 2.099 0.000) 2.350 14.050 ( 1.148 -3.053 0.000) 3.262 14.050 ( 1.148 3.053 0.000) 3.262 14.511 ( -0.149 -5.416 0.000) 5.418 14.511 ( -0.149 5.416 0.000) 5.418 14.523 ( -1.400 -5.931 0.000) 6.094 14.523 ( -1.400 5.931 0.000) 6.094 14.990 ( 2.233 -5.989 0.000) 6.391 14.990 ( 2.233 5.989 0.000) 6.391 14.998 ( 1.498 -4.682 0.000) 4.915 14.998 ( 1.498 4.682 0.000) 4.915 19.142 ( 9.079 -3.302 0.000) 9.661 19.142 ( 9.079 3.302 0.000) 9.661 19.303 ( -7.333 -0.672 0.000) 7.363 19.303 ( -7.333 0.672 0.000) 7.363 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.000 0.000 34.772) 34.772 0.740 ( 0.000 0.000 36.124) 36.124 1.338 ( 0.000 0.000 64.565) 64.565 2.710 ( 0.000 0.000 5.248) 5.248 3.115 ( 0.000 0.000 0.443) 0.443 3.309 ( 0.000 0.000 -15.902) 15.902 3.315 ( 0.000 0.000 -4.403) 4.403 3.460 ( 0.000 0.000 2.961) 2.961 3.578 ( 0.000 0.000 -7.854) 7.854 3.719 ( 0.000 0.000 -6.755) 6.755 3.783 ( 0.000 0.000 -15.119) 15.119 4.434 ( 0.000 0.000 4.343) 4.343 4.689 ( 0.000 0.000 -2.726) 2.726 4.993 ( 0.000 0.000 7.784) 7.784 5.677 ( 0.000 0.000 9.637) 9.637 5.903 ( 0.000 0.000 1.147) 1.147 6.044 ( 0.000 0.000 -4.580) 4.580 6.104 ( 0.000 0.000 -1.134) 1.134 6.698 ( 0.000 0.000 0.877) 0.877 6.765 ( 0.000 0.000 -14.474) 14.474 7.052 ( 0.000 0.000 2.645) 2.645 7.544 ( 0.000 0.000 19.400) 19.400 8.048 ( 0.000 0.000 -3.824) 3.824 8.390 ( 0.000 0.000 9.671) 9.671 8.411 ( 0.000 0.000 -13.881) 13.881 8.617 ( 0.000 0.000 -4.967) 4.967 8.679 ( 0.000 0.000 -17.201) 17.201 8.684 ( 0.000 0.000 2.119) 2.119 9.565 ( 0.000 0.000 19.777) 19.777 9.713 ( 0.000 0.000 10.108) 10.108 9.946 ( 0.000 0.000 2.018) 2.018 9.987 ( 0.000 0.000 4.818) 4.818 10.029 ( 0.000 0.000 5.922) 5.922 10.162 ( 0.000 0.000 7.056) 7.056 10.380 ( 0.000 0.000 -11.603) 11.603 10.832 ( 0.000 0.000 -5.058) 5.058 10.895 ( 0.000 0.000 -6.797) 6.797 10.987 ( 0.000 0.000 0.168) 0.168 11.473 ( 0.000 0.000 -12.683) 12.683 11.741 ( 0.000 0.000 -6.222) 6.222 12.461 ( 0.000 0.000 -11.618) 11.618 12.748 ( 0.000 0.000 -3.367) 3.367 12.867 ( 0.000 0.000 -12.900) 12.900 12.930 ( 0.000 0.000 -3.550) 3.550 13.369 ( 0.000 0.000 2.427) 2.427 13.734 ( 0.000 0.000 -1.644) 1.644 13.887 ( 0.000 0.000 1.494) 1.494 14.156 ( 0.000 0.000 -0.104) 0.104 14.230 ( 0.000 0.000 1.119) 1.119 14.267 ( 0.000 0.000 0.323) 0.323 14.403 ( 0.000 0.000 -0.960) 0.960 14.418 ( 0.000 0.000 -3.685) 3.685 14.636 ( 0.000 0.000 10.288) 10.288 14.753 ( 0.000 0.000 9.009) 9.009 15.181 ( 0.000 0.000 9.198) 9.198 15.877 ( 0.000 0.000 2.046) 2.046 18.234 ( 0.000 0.000 10.344) 10.344 19.326 ( 0.000 0.000 -1.761) 1.761 19.493 ( 0.000 0.000 -2.163) 2.163 19.790 ( 0.000 0.000 -0.645) 0.645 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 22.361 0.000 23.239) 32.250 1.052 ( 27.099 0.000 23.437) 35.829 1.812 ( 40.778 0.000 44.882) 60.640 2.734 ( 2.261 0.000 4.351) 4.903 3.060 ( -4.983 0.000 -2.075) 5.398 3.251 ( -6.671 0.000 -10.275) 12.251 3.347 ( 1.856 0.000 -4.242) 4.631 3.448 ( 2.264 0.000 -2.253) 3.194 3.508 ( -6.863 0.000 -7.551) 10.204 3.668 ( -11.577 0.000 -11.621) 16.404 3.693 ( -1.202 0.000 -5.993) 6.113 4.520 ( 7.951 0.000 3.040) 8.512 4.595 ( -9.912 0.000 -1.660) 10.050 5.035 ( 3.889 0.000 7.715) 8.640 5.449 ( -9.719 0.000 14.112) 17.135 5.597 ( -2.608 0.000 6.553) 7.052 6.269 ( 17.833 0.000 -4.812) 18.471 6.493 ( 9.460 0.000 2.520) 9.790 6.677 ( -6.298 0.000 -10.076) 11.883 6.689 ( -0.932 0.000 0.800) 1.228 7.191 ( 10.230 0.000 -8.312) 13.181 7.582 ( 3.835 0.000 16.381) 16.824 7.985 ( -8.994 0.000 -1.464) 9.112 8.296 ( -3.015 0.000 5.956) 6.676 8.347 ( -6.732 0.000 -11.545) 13.364 8.645 ( 2.206 0.000 -2.760) 3.533 8.698 ( 1.667 0.000 5.185) 5.446 8.734 ( 2.947 0.000 -13.636) 13.951 9.228 ( -9.262 0.000 16.168) 18.633 9.701 ( 0.373 0.000 -1.430) 1.478 9.827 ( -5.877 0.000 11.018) 12.488 10.090 ( -5.031 0.000 4.625) 6.834 10.128 ( 11.714 0.000 9.785) 15.263 10.373 ( 3.896 0.000 -8.347) 9.211 10.646 ( 20.123 0.000 -21.003) 29.087 10.695 ( -11.624 0.000 -5.649) 12.925 10.817 ( -2.288 0.000 -6.067) 6.484 11.124 ( 6.851 0.000 3.807) 7.837 11.505 ( -2.382 0.000 -4.967) 5.508 11.612 ( -5.513 0.000 -10.717) 12.052 12.365 ( -6.964 0.000 -2.353) 7.351 12.644 ( -9.556 0.000 -2.251) 9.818 12.848 ( -5.489 0.000 -8.311) 9.960 12.900 ( -2.253 0.000 -5.556) 5.995 13.451 ( 7.270 0.000 1.218) 7.371 13.746 ( 1.287 0.000 -2.061) 2.429 13.753 ( -2.888 0.000 0.649) 2.960 14.145 ( 1.641 0.000 16.878) 16.957 14.155 ( -0.058 0.000 0.178) 0.187 14.221 ( -0.859 0.000 0.577) 1.035 14.399 ( -0.460 0.000 -1.367) 1.442 14.421 ( 0.196 0.000 -2.683) 2.691 14.710 ( 1.871 0.000 7.694) 7.919 15.003 ( 8.092 0.000 -3.672) 8.886 15.259 ( 7.792 0.000 7.049) 10.507 15.780 ( -6.784 0.000 2.740) 7.316 18.303 ( 7.116 0.000 9.559) 11.917 19.308 ( -1.454 0.000 -2.938) 3.278 19.542 ( 1.403 0.000 -4.106) 4.339 19.774 ( -1.761 0.000 -1.147) 2.102 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 25.534 0.000 11.057) 27.825 1.629 ( 30.790 0.000 11.219) 32.770 2.585 ( 32.235 0.000 26.019) 41.425 2.773 ( 0.910 0.000 1.540) 1.789 2.953 ( -5.217 0.000 -2.457) 5.767 3.127 ( -3.914 0.000 -12.865) 13.447 3.340 ( -10.328 0.000 -5.834) 11.862 3.358 ( -1.111 0.000 -4.751) 4.879 3.380 ( -16.067 0.000 -5.742) 17.062 3.548 ( 7.761 0.000 -1.776) 7.961 3.696 ( 1.860 0.000 -4.302) 4.687 4.333 ( -16.106 0.000 1.418) 16.168 4.687 ( 8.264 0.000 1.901) 8.480 5.113 ( 3.358 0.000 7.675) 8.377 5.499 ( 11.232 0.000 2.565) 11.521 5.662 ( 9.134 0.000 3.281) 9.705 6.550 ( -0.694 0.000 17.149) 17.163 6.588 ( -1.964 0.000 -10.859) 11.035 6.631 ( 18.809 0.000 -8.598) 20.681 6.659 ( -2.241 0.000 0.986) 2.449 7.367 ( 7.613 0.000 -12.070) 14.271 7.675 ( 4.769 0.000 8.364) 9.628 7.799 ( -8.058 0.000 1.357) 8.172 8.177 ( -9.227 0.000 -5.442) 10.712 8.222 ( -7.423 0.000 0.068) 7.423 8.694 ( 3.301 0.000 -2.385) 4.072 8.746 ( 2.651 0.000 4.129) 4.907 8.754 ( -0.589 0.000 -6.394) 6.421 9.191 ( 0.364 0.000 7.461) 7.470 9.719 ( 0.297 0.000 -15.202) 15.205 9.759 ( 1.304 0.000 -0.379) 1.357 9.898 ( -14.956 0.000 2.408) 15.148 10.315 ( 4.366 0.000 11.727) 12.513 10.441 ( 3.312 0.000 -8.040) 8.695 10.569 ( 1.612 0.000 0.782) 1.792 10.753 ( -4.148 0.000 -2.472) 4.829 10.890 ( 7.858 0.000 -12.480) 14.748 11.229 ( 4.928 0.000 6.922) 8.497 11.366 ( -5.792 0.000 4.827) 7.540 11.636 ( 3.227 0.000 -12.353) 12.767 12.238 ( -6.259 0.000 0.626) 6.290 12.422 ( -12.838 0.000 -0.783) 12.862 12.624 ( -16.353 0.000 -5.671) 17.309 12.818 ( -6.756 0.000 -1.905) 7.020 13.605 ( 8.043 0.000 -0.745) 8.077 13.788 ( 3.258 0.000 -2.985) 4.419 13.883 ( 13.265 0.000 -8.705) 15.866 14.158 ( 0.489 0.000 0.766) 0.909 14.196 ( -1.780 0.000 -0.480) 1.843 14.262 ( 8.774 0.000 8.602) 12.287 14.384 ( -1.129 0.000 -1.428) 1.820 14.417 ( -0.811 0.000 -1.191) 1.440 14.765 ( 4.302 0.000 9.985) 10.872 15.037 ( -1.307 0.000 3.214) 3.470 15.382 ( 3.502 0.000 4.295) 5.542 15.664 ( -5.520 0.000 3.796) 6.699 18.500 ( 12.998 0.000 7.288) 14.902 19.278 ( -1.440 0.000 -5.712) 5.891 19.520 ( -3.074 0.000 -3.250) 4.473 19.716 ( -4.544 0.000 -2.177) 5.039 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 23.030 0.000 4.443) 23.455 2.180 ( 25.129 0.000 3.052) 25.313 2.741 ( -4.261 0.000 -3.049) 5.240 2.799 ( -4.670 0.000 1.310) 4.850 2.900 ( -0.737 0.000 1.357) 1.544 3.068 ( -12.705 0.000 -1.191) 12.760 3.188 ( 3.715 0.000 -6.780) 7.731 3.194 ( -6.565 0.000 -2.098) 6.892 3.318 ( 0.010 0.000 -7.148) 7.148 3.703 ( 4.017 0.000 -0.259) 4.025 3.775 ( 5.359 0.000 1.090) 5.469 4.045 ( -10.351 0.000 7.793) 12.956 4.825 ( 6.342 0.000 2.662) 6.878 5.135 ( -1.479 0.000 7.145) 7.297 5.808 ( 19.812 0.000 -3.298) 20.084 5.907 ( 15.045 0.000 1.863) 15.160 6.528 ( -2.491 0.000 -6.172) 6.655 6.587 ( -5.476 0.000 2.457) 6.002 6.629 ( 8.336 0.000 13.383) 15.767 6.982 ( 17.209 0.000 -11.909) 20.927 7.473 ( 2.911 0.000 -9.874) 10.294 7.683 ( -5.599 0.000 -0.985) 5.685 7.692 ( -3.537 0.000 0.744) 3.615 7.986 ( -16.251 0.000 -3.655) 16.657 8.101 ( 3.512 0.000 -4.928) 6.051 8.741 ( 0.213 0.000 -3.925) 3.930 8.743 ( -4.818 0.000 -8.405) 9.688 8.778 ( 5.004 0.000 -1.194) 5.144 9.131 ( -6.030 0.000 4.286) 7.398 9.549 ( -19.647 0.000 1.146) 19.680 9.730 ( 3.400 0.000 -9.041) 9.659 9.920 ( 13.747 0.000 -7.500) 15.660 10.336 ( -1.578 0.000 9.797) 9.923 10.483 ( 0.339 0.000 -8.391) 8.397 10.601 ( -1.935 0.000 4.307) 4.721 10.727 ( 2.116 0.000 9.612) 9.842 11.017 ( 6.282 0.000 -2.078) 6.617 11.304 ( -1.775 0.000 5.982) 6.240 11.360 ( 9.728 0.000 4.249) 10.615 11.700 ( 2.817 0.000 -11.825) 12.156 12.131 ( -5.761 0.000 -0.195) 5.764 12.162 ( -14.092 0.000 0.280) 14.095 12.295 ( -14.141 0.000 -0.427) 14.147 12.653 ( -10.011 0.000 2.463) 10.310 13.748 ( 6.715 0.000 -3.367) 7.512 13.870 ( 4.799 0.000 -3.723) 6.074 14.150 ( -2.555 0.000 -0.905) 2.710 14.152 ( 12.913 0.000 -14.433) 19.367 14.172 ( 0.457 0.000 0.880) 0.991 14.357 ( -1.472 0.000 -0.591) 1.586 14.389 ( -2.027 0.000 0.011) 2.027 14.418 ( 5.670 0.000 -3.758) 6.802 14.899 ( 10.170 0.000 13.383) 16.808 15.023 ( 1.161 0.000 5.726) 5.842 15.377 ( -3.925 0.000 2.589) 4.702 15.551 ( -6.650 0.000 9.460) 11.564 18.786 ( 16.229 0.000 3.983) 16.710 19.263 ( 0.100 0.000 -8.007) 8.008 19.442 ( -4.625 0.000 -4.479) 6.438 19.591 ( -8.567 0.000 -2.690) 8.980 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 18.461 0.000 2.036) 18.573 2.534 ( 10.275 0.000 -4.706) 11.302 2.627 ( -12.439 0.000 1.617) 12.543 2.646 ( -4.624 0.000 -5.786) 7.407 2.946 ( 5.658 0.000 -7.378) 9.297 2.950 ( 1.922 0.000 2.689) 3.305 3.070 ( -7.198 0.000 1.638) 7.382 3.094 ( -8.618 0.000 -9.316) 12.691 3.425 ( 7.847 0.000 -3.197) 8.473 3.601 ( -10.222 0.000 -2.676) 10.566 3.877 ( 6.012 0.000 8.757) 10.623 3.971 ( -2.816 0.000 10.386) 10.761 4.944 ( 6.276 0.000 4.269) 7.591 5.062 ( -5.535 0.000 5.869) 8.068 6.189 ( 17.367 0.000 -1.843) 17.465 6.197 ( 14.290 0.000 2.813) 14.565 6.432 ( -8.140 0.000 -2.559) 8.533 6.437 ( -10.257 0.000 3.513) 10.842 6.928 ( 21.987 0.000 1.510) 22.038 7.281 ( 13.683 0.000 -10.652) 17.341 7.367 ( -18.278 0.000 -4.670) 18.865 7.512 ( -10.671 0.000 -6.048) 12.266 7.656 ( 0.904 0.000 -4.002) 4.103 7.723 ( -6.987 0.000 -2.551) 7.439 8.274 ( 12.819 0.000 -13.950) 18.946 8.547 ( -14.066 0.000 -18.809) 23.486 8.783 ( 4.287 0.000 -3.560) 5.573 8.853 ( 0.301 0.000 1.486) 1.517 9.041 ( 0.342 0.000 -0.197) 0.395 9.204 ( -14.676 0.000 0.723) 14.694 9.903 ( 13.545 0.000 5.480) 14.611 10.181 ( -13.436 0.000 8.225) 15.753 10.207 ( 14.352 0.000 -8.326) 16.592 10.423 ( -7.252 0.000 -8.565) 11.223 10.632 ( 4.735 0.000 9.730) 10.821 10.719 ( -3.171 0.000 11.440) 11.871 11.146 ( 6.919 0.000 3.517) 7.761 11.257 ( -3.979 0.000 5.735) 6.980 11.600 ( 14.294 0.000 1.651) 14.389 11.751 ( 4.098 0.000 -10.678) 11.437 11.883 ( -14.799 0.000 0.918) 14.827 11.910 ( -12.492 0.000 -8.386) 15.046 12.266 ( 7.048 0.000 8.362) 10.936 12.449 ( -10.753 0.000 5.828) 12.231 13.865 ( 5.353 0.000 -5.681) 7.806 13.930 ( -0.172 0.000 -5.778) 5.780 14.122 ( 0.804 0.000 0.465) 0.929 14.163 ( -1.855 0.000 0.969) 2.093 14.336 ( -0.321 0.000 0.572) 0.656 14.350 ( 7.595 0.000 -15.628) 17.376 14.351 ( -1.610 0.000 0.759) 1.780 14.447 ( -2.305 0.000 -12.451) 12.662 15.102 ( 6.913 0.000 7.443) 10.158 15.143 ( 13.735 0.000 13.118) 18.993 15.254 ( -8.001 0.000 4.193) 9.033 15.387 ( -10.793 0.000 11.892) 16.059 19.102 ( 16.021 0.000 0.595) 16.032 19.287 ( 2.474 0.000 -8.327) 8.687 19.354 ( -4.283 0.000 -6.717) 7.966 19.384 ( -12.942 0.000 -1.825) 13.070 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 23.630 24.397) 33.964 1.079 ( 0.000 28.157 21.171) 35.228 1.830 ( 0.000 38.114 40.381) 55.527 2.702 ( 0.000 -2.466 4.383) 5.029 2.989 ( 0.000 -9.153 -0.484) 9.166 3.216 ( 0.000 -11.186 -3.428) 11.700 3.250 ( 0.000 -3.860 -14.653) 15.153 3.447 ( 0.000 1.494 -2.935) 3.293 3.577 ( 0.000 -3.093 -6.649) 7.333 3.634 ( 0.000 -1.020 -2.760) 2.943 3.899 ( 0.000 8.058 -13.929) 16.092 4.575 ( 0.000 -9.587 -3.074) 10.068 4.772 ( 0.000 19.817 -6.396) 20.823 5.047 ( 0.000 3.626 10.104) 10.735 5.749 ( 0.000 6.666 2.200) 7.020 5.817 ( 0.000 -13.391 13.141) 18.762 5.846 ( 0.000 -4.307 -0.609) 4.350 6.093 ( 0.000 3.798 -3.852) 5.409 6.713 ( 0.000 -4.712 -13.024) 13.850 6.936 ( 0.000 15.534 0.699) 15.550 7.028 ( 0.000 3.321 3.419) 4.767 7.519 ( 0.000 -1.230 14.924) 14.975 8.130 ( 0.000 6.786 -2.351) 7.182 8.259 ( 0.000 -16.435 -6.232) 17.577 8.433 ( 0.000 4.006 10.325) 11.075 8.491 ( 0.000 -3.331 6.839) 7.607 8.744 ( 0.000 7.086 -8.929) 11.399 8.818 ( 0.000 3.159 -9.989) 10.477 9.420 ( 0.000 -5.488 7.984) 9.688 9.733 ( 0.000 -0.275 5.680) 5.686 9.813 ( 0.000 -7.380 16.403) 17.987 9.863 ( 0.000 -6.881 4.918) 8.458 10.156 ( 0.000 1.415 8.107) 8.229 10.326 ( 0.000 8.037 -7.306) 10.862 10.384 ( 0.000 0.723 -11.664) 11.687 10.893 ( 0.000 5.032 -5.598) 7.527 10.939 ( 0.000 -1.881 -7.136) 7.380 11.039 ( 0.000 4.831 0.853) 4.906 11.497 ( 0.000 -2.320 -8.283) 8.602 11.700 ( 0.000 -2.224 -11.792) 11.999 12.456 ( 0.000 -0.327 -11.553) 11.558 12.687 ( 0.000 -6.110 -5.859) 8.465 12.867 ( 0.000 0.038 -12.791) 12.791 12.904 ( 0.000 -1.013 -1.241) 1.602 13.455 ( 0.000 7.611 2.330) 7.960 13.690 ( 0.000 -1.598 4.112) 4.412 13.821 ( 0.000 0.541 1.653) 1.739 14.070 ( 0.000 0.745 15.447) 15.465 14.201 ( 0.000 3.668 0.822) 3.759 14.224 ( 0.000 -3.657 0.258) 3.666 14.415 ( 0.000 0.929 -1.898) 2.113 14.442 ( 0.000 1.806 -3.751) 4.163 14.697 ( 0.000 1.518 8.740) 8.870 15.000 ( 0.000 7.697 -6.069) 9.802 15.120 ( 0.000 -5.504 9.043) 10.587 15.725 ( 0.000 -13.638 5.205) 14.597 18.315 ( 0.000 7.185 8.442) 11.086 19.172 ( 0.000 -16.875 10.130) 19.682 19.341 ( 0.000 1.502 -1.758) 2.312 19.743 ( 0.000 -4.306 -0.808) 4.381 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 14.654 22.594 18.587) 32.721 1.274 ( 19.257 16.854 20.345) 32.693 2.170 ( 30.651 28.518 28.661) 50.737 2.700 ( -0.279 -4.360 3.515) 5.607 2.953 ( -3.487 -8.553 -1.251) 9.321 3.135 ( -7.258 -8.910 -5.691) 12.824 3.268 ( 0.903 -6.377 -9.228) 11.254 3.475 ( 1.320 1.568 -2.463) 3.204 3.542 ( -3.708 1.159 -6.135) 7.262 3.582 ( -3.136 -3.613 -5.011) 6.928 3.825 ( -7.206 9.946 -11.152) 16.590 4.480 ( -9.014 -8.356 -2.206) 12.487 4.829 ( 5.048 20.597 -4.891) 21.763 5.097 ( 5.006 4.363 9.689) 11.747 5.449 ( -8.481 1.197 10.970) 13.918 5.635 ( -4.206 3.655 4.841) 7.381 6.258 ( 20.043 -8.045 4.250) 22.011 6.300 ( 10.359 -4.275 -4.144) 11.949 6.630 ( -5.938 -3.988 -8.523) 11.127 6.941 ( -1.038 21.854 0.731) 21.891 7.131 ( 8.881 -5.047 -5.457) 11.582 7.562 ( 4.280 -1.228 12.922) 13.667 8.035 ( -9.402 4.102 1.042) 10.310 8.185 ( -3.403 -7.847 -4.807) 9.811 8.362 ( -5.713 -0.113 3.910) 6.924 8.577 ( 4.730 -2.966 6.784) 8.785 8.778 ( -2.992 5.142 -8.111) 10.059 8.854 ( 8.761 4.909 -5.541) 11.470 9.313 ( -5.261 6.797 5.979) 10.471 9.698 ( -3.760 -2.003 2.565) 4.973 9.800 ( -1.692 -2.410 7.458) 8.018 9.974 ( 5.758 -6.729 0.383) 8.865 10.188 ( 5.591 1.285 10.719) 12.157 10.322 ( 1.851 -2.045 -6.221) 6.806 10.455 ( 0.247 -3.943 -9.675) 10.451 10.861 ( -2.283 4.122 -5.012) 6.879 10.909 ( 0.444 3.890 -9.240) 10.036 11.138 ( 6.326 1.232 4.838) 8.059 11.447 ( -6.689 -6.003 -1.832) 9.173 11.627 ( -3.679 0.936 -14.173) 14.673 12.354 ( -7.042 -0.390 -4.682) 8.465 12.639 ( -7.199 -0.959 -6.100) 9.485 12.834 ( -5.159 -1.921 -10.308) 11.686 12.845 ( -4.805 -3.787 -3.108) 6.862 13.517 ( 5.352 5.836 1.431) 8.047 13.749 ( 6.982 3.597 -1.123) 7.934 13.800 ( -0.434 3.107 -0.340) 3.155 14.105 ( 3.578 0.619 11.922) 12.463 14.186 ( -0.826 0.182 0.271) 0.888 14.249 ( 1.903 1.980 1.968) 3.379 14.404 ( -0.826 0.973 -1.767) 2.180 14.447 ( 0.324 2.205 -2.533) 3.374 14.720 ( 1.906 1.089 9.473) 9.724 15.025 ( 0.430 -0.180 -0.119) 0.481 15.197 ( 6.593 -5.775 5.265) 10.225 15.658 ( -5.061 -11.257 5.004) 13.318 18.372 ( 6.016 6.219 7.983) 11.773 19.261 ( 4.531 -14.115 1.891) 14.945 19.341 ( 0.840 -1.815 -1.495) 2.497 19.728 ( -1.684 -4.246 -1.336) 4.759 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 18.804 11.949 11.687) 25.159 1.720 ( 25.103 6.824 13.600) 29.355 2.676 ( 0.647 -5.182 1.394) 5.405 2.765 ( 18.551 7.130 9.115) 21.865 2.865 ( -3.347 -6.322 0.935) 7.214 2.994 ( -4.985 -6.376 -6.395) 10.315 3.271 ( -1.110 -4.792 -3.353) 5.953 3.366 ( -8.301 -0.278 -3.368) 8.962 3.512 ( -4.679 1.739 -7.171) 8.737 3.586 ( 4.682 1.121 -3.052) 5.700 3.683 ( -4.466 8.218 -4.994) 10.603 4.248 ( -14.408 -6.580 0.153) 15.840 4.939 ( 5.911 21.178 -0.704) 21.999 5.220 ( 6.929 7.651 9.104) 13.763 5.498 ( 11.145 -0.029 3.258) 11.612 5.685 ( 9.272 2.844 2.393) 9.989 6.412 ( 4.267 -8.095 6.131) 11.015 6.515 ( -2.432 -4.493 -3.685) 6.300 6.673 ( 18.834 0.588 -6.370) 19.891 6.891 ( -4.062 19.834 1.566) 20.306 7.298 ( 7.797 -6.600 -10.564) 14.695 7.654 ( 3.138 -1.593 7.123) 7.945 7.876 ( -4.954 6.555 3.452) 8.912 8.112 ( -4.589 -4.219 -6.052) 8.689 8.234 ( -7.342 0.143 1.836) 7.569 8.628 ( 0.042 0.128 7.818) 7.819 8.717 ( -1.992 -2.236 -9.992) 10.431 9.004 ( 4.542 8.767 0.437) 9.883 9.252 ( -2.545 9.742 1.489) 10.178 9.640 ( -1.470 -4.993 -8.017) 9.558 9.771 ( -1.989 -1.576 0.292) 2.555 9.934 ( -6.560 3.752 -4.700) 8.900 10.362 ( 2.448 3.454 9.662) 10.549 10.374 ( 2.187 -4.725 -5.100) 7.288 10.445 ( 9.360 -8.362 -0.112) 12.551 10.803 ( -3.798 4.635 -2.031) 6.327 10.959 ( 3.206 1.810 -5.618) 6.717 11.228 ( 1.454 -3.407 8.030) 8.844 11.311 ( -2.759 -1.626 0.954) 3.342 11.617 ( 1.984 -1.713 -10.707) 11.023 12.224 ( -6.523 -0.771 -0.703) 6.606 12.438 ( -12.556 1.215 -3.275) 13.033 12.601 ( -16.374 -1.994 -6.661) 17.789 12.756 ( -6.619 -5.622 -3.267) 9.279 13.642 ( 7.380 3.912 -0.326) 8.359 13.818 ( 2.303 2.782 -2.132) 4.194 13.950 ( 12.034 4.971 -7.156) 14.858 14.171 ( -0.593 -0.123 -0.704) 0.928 14.180 ( 2.915 0.912 3.122) 4.368 14.316 ( 5.302 3.661 1.248) 6.563 14.388 ( -0.801 0.761 -1.477) 1.844 14.445 ( -0.603 2.724 -0.513) 2.837 14.775 ( 4.326 1.197 11.558) 12.399 15.004 ( -1.892 -3.003 4.468) 5.706 15.301 ( 3.260 -7.524 3.792) 9.034 15.573 ( -3.946 -8.347 5.907) 10.961 18.544 ( 11.569 4.068 6.165) 13.726 19.276 ( -1.060 -2.136 -5.133) 5.660 19.370 ( 0.510 -9.779 -1.359) 9.886 19.672 ( -4.307 -3.991 -2.420) 6.351 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 17.393 1.998 5.351) 18.307 2.183 ( 21.933 -0.910 8.233) 23.445 2.623 ( -6.948 -10.643 -4.125) 13.363 2.708 ( -4.375 -5.570 0.121) 7.084 2.908 ( 0.067 -1.055 -1.154) 1.566 3.025 ( -0.574 -3.932 -4.635) 6.105 3.197 ( -6.272 2.994 -0.187) 6.953 3.232 ( -5.699 0.012 -4.073) 7.005 3.439 ( -1.382 6.556 -6.958) 9.660 3.632 ( 0.100 -6.155 -1.945) 6.456 3.719 ( 3.367 -0.104 3.077) 4.563 3.981 ( -11.147 -4.411 4.902) 12.952 5.069 ( 7.941 21.169 1.989) 22.697 5.325 ( 3.168 14.417 8.323) 16.945 5.804 ( 18.965 -0.735 -1.554) 19.043 5.938 ( 15.314 3.307 0.143) 15.668 6.441 ( -3.103 -5.268 -8.044) 10.103 6.576 ( 12.604 -1.763 10.367) 16.415 6.765 ( -8.076 13.920 3.513) 16.472 7.048 ( 17.837 2.768 -9.479) 20.388 7.424 ( 4.867 -4.571 -10.321) 12.292 7.617 ( -4.800 -3.194 1.482) 5.953 7.819 ( -5.748 8.501 1.010) 10.312 8.010 ( -10.304 1.977 -6.537) 12.362 8.134 ( 3.211 3.588 -2.666) 5.504 8.597 ( -2.520 -5.298 -3.329) 6.745 8.714 ( 0.909 -2.338 -4.853) 5.463 9.002 ( -3.940 6.765 0.763) 7.866 9.164 ( -5.989 7.222 -5.086) 10.672 9.536 ( -12.714 -0.210 -0.019) 12.715 9.747 ( 2.676 0.058 -6.608) 7.130 9.928 ( 8.360 1.949 -2.497) 8.940 10.360 ( -5.159 -0.993 4.563) 6.959 10.373 ( 0.820 -4.083 -2.768) 5.000 10.689 ( 11.405 -1.448 6.877) 13.396 10.749 ( -0.467 8.537 4.188) 9.520 11.001 ( 1.521 -1.708 0.913) 2.463 11.191 ( -2.125 -9.669 6.839) 12.032 11.403 ( 9.186 3.033 1.250) 9.754 11.677 ( 3.376 -2.085 -10.557) 11.278 12.120 ( -4.045 -1.240 1.811) 4.602 12.180 ( -13.930 1.505 -1.795) 14.125 12.262 ( -16.617 -2.406 -3.694) 17.192 12.593 ( -10.035 -5.610 1.013) 11.541 13.782 ( 6.766 3.353 -2.216) 7.869 13.884 ( 4.357 1.583 -3.040) 5.544 14.122 ( 2.845 -1.149 -4.158) 5.168 14.155 ( -0.074 -0.538 0.823) 0.986 14.245 ( 4.840 5.062 -9.625) 11.904 14.367 ( -0.363 1.266 -0.964) 1.632 14.396 ( -0.143 1.021 -1.824) 2.095 14.452 ( 2.365 2.587 -4.224) 5.489 14.906 ( 9.544 0.804 13.447) 16.510 14.993 ( 1.698 -2.554 6.963) 7.609 15.308 ( -2.515 -6.269 2.966) 7.377 15.486 ( -5.611 -6.045 9.638) 12.686 18.803 ( 14.859 1.628 3.214) 15.290 19.258 ( -0.396 -0.994 -7.537) 7.613 19.351 ( -2.106 -7.013 -3.641) 8.177 19.554 ( -8.074 -3.366 -2.988) 9.243 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 12.783 -6.281 1.422) 14.313 2.436 ( -10.280 -9.827 -1.411) 14.291 2.533 ( 13.409 -4.849 3.177) 14.608 2.676 ( -1.878 -2.274 -1.337) 3.238 2.939 ( 1.854 -1.630 -2.245) 3.337 2.961 ( -3.079 -1.847 -3.988) 5.367 3.084 ( -3.783 5.242 -1.329) 6.600 3.121 ( -5.462 0.953 -6.813) 8.784 3.458 ( 3.214 1.197 -4.376) 5.560 3.558 ( -6.630 -4.523 -3.112) 8.608 3.760 ( 3.363 -6.456 7.505) 10.455 3.847 ( -5.007 -6.971 8.738) 12.249 5.224 ( 7.297 22.327 3.356) 23.728 5.327 ( -2.949 20.388 5.825) 21.408 6.134 ( 13.205 -3.267 -1.951) 13.743 6.235 ( 12.213 0.537 1.338) 12.298 6.362 ( -2.344 -0.718 -2.119) 3.241 6.564 ( -12.698 8.473 5.606) 16.262 6.945 ( 24.096 2.679 -0.719) 24.255 7.334 ( 8.392 -0.803 -6.105) 10.408 7.377 ( -10.962 2.933 -7.719) 13.725 7.534 ( -9.257 0.526 -3.749) 10.001 7.675 ( 2.013 2.968 -5.940) 6.939 7.813 ( -8.677 8.918 -6.719) 14.141 8.287 ( 10.267 1.708 -12.162) 16.007 8.490 ( -9.408 -3.879 -13.833) 17.173 8.761 ( 4.865 -2.552 -3.623) 6.581 8.889 ( -7.278 0.119 2.081) 7.570 9.116 ( 2.969 8.664 -2.847) 9.591 9.270 ( -12.247 6.409 0.863) 13.850 9.893 ( 11.625 -1.509 1.531) 11.822 10.106 ( -0.665 -6.537 1.932) 6.849 10.208 ( -0.852 0.408 2.487) 2.660 10.341 ( -5.423 -4.294 -0.202) 6.920 10.787 ( 3.497 10.845 6.661) 13.199 10.823 ( 1.488 9.626 6.501) 11.710 11.057 ( 4.882 -8.265 4.081) 10.431 11.146 ( -3.348 -9.879 6.272) 12.172 11.626 ( 13.229 1.855 0.040) 13.358 11.739 ( 4.232 -1.265 -9.822) 10.769 11.904 ( -14.008 1.904 -1.289) 14.196 11.917 ( -12.973 0.484 -8.210) 15.360 12.203 ( 6.979 -5.608 7.686) 11.799 12.387 ( -10.890 -5.743 4.768) 13.203 13.896 ( 4.935 2.827 -4.528) 7.269 13.948 ( 0.613 1.647 -4.744) 5.059 14.119 ( 0.444 -0.423 0.283) 0.676 14.151 ( -1.575 -1.076 0.827) 2.079 14.318 ( 1.882 0.004 -5.266) 5.592 14.347 ( -1.585 0.741 -0.768) 1.911 14.413 ( 2.852 3.283 -8.744) 9.766 14.464 ( -1.550 1.276 -11.204) 11.382 15.079 ( 6.659 -1.934 7.803) 10.438 15.125 ( 12.148 -1.541 13.347) 18.113 15.215 ( -6.508 -3.398 3.991) 8.357 15.342 ( -9.537 -4.139 11.104) 15.212 19.094 ( 14.869 -0.592 -0.026) 14.881 19.267 ( 1.321 -1.948 -7.742) 8.092 19.303 ( -2.755 -4.038 -6.179) 7.879 19.360 ( -11.850 -2.216 -2.190) 12.253 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 25.845 12.212) 28.585 1.716 ( 0.000 30.838 9.902) 32.388 2.501 ( 0.000 18.486 14.441) 23.458 2.529 ( 0.000 -14.184 2.379) 14.382 2.813 ( 0.000 -6.909 -1.634) 7.099 2.889 ( 0.000 -18.859 -1.598) 18.927 3.237 ( 0.000 3.125 -9.625) 10.120 3.407 ( 0.000 -2.137 -7.078) 7.394 3.627 ( 0.000 7.538 -2.003) 7.800 3.743 ( 0.000 11.464 -2.856) 11.814 4.012 ( 0.000 0.991 -11.604) 11.646 4.327 ( 0.000 -13.577 -3.314) 13.976 5.042 ( 0.000 5.995 4.281) 7.367 5.101 ( 0.000 1.137 13.235) 13.283 5.666 ( 0.000 -1.393 4.053) 4.286 5.754 ( 0.000 -4.070 -1.005) 4.192 6.009 ( 0.000 16.251 -1.495) 16.320 6.188 ( 0.000 5.172 -5.228) 7.355 6.587 ( 0.000 -6.550 -8.397) 10.649 6.830 ( 0.000 -11.576 2.841) 11.920 7.519 ( 0.000 7.871 9.405) 12.264 7.605 ( 0.000 28.203 0.871) 28.216 7.922 ( 0.000 -14.704 -0.803) 14.725 8.295 ( 0.000 8.786 -3.549) 9.476 8.395 ( 0.000 -6.548 6.149) 8.982 8.554 ( 0.000 7.614 11.554) 13.837 8.705 ( 0.000 -6.636 -5.728) 8.766 8.927 ( 0.000 0.730 -3.902) 3.970 9.355 ( 0.000 -1.144 0.617) 1.300 9.600 ( 0.000 -9.982 0.568) 9.998 9.658 ( 0.000 -5.430 14.720) 15.689 9.747 ( 0.000 -5.007 7.545) 9.055 10.278 ( 0.000 9.616 8.938) 13.128 10.413 ( 0.000 1.911 -11.060) 11.224 10.416 ( 0.000 1.973 -6.979) 7.252 10.784 ( 0.000 -11.163 0.077) 11.163 11.018 ( 0.000 6.727 -6.244) 9.178 11.181 ( 0.000 8.611 1.743) 8.785 11.348 ( 0.000 -9.182 -4.950) 10.432 11.609 ( 0.000 -7.924 -4.875) 9.303 12.457 ( 0.000 0.713 -11.229) 11.251 12.563 ( 0.000 -4.656 -10.204) 11.216 12.869 ( 0.000 0.158 -12.231) 12.232 12.890 ( 0.000 -0.712 -4.904) 4.955 13.645 ( 0.000 9.317 2.138) 9.559 13.775 ( 0.000 5.704 0.610) 5.737 13.886 ( 0.000 5.101 -2.193) 5.552 14.130 ( 0.000 -5.114 0.052) 5.114 14.156 ( 0.000 6.512 5.561) 8.563 14.314 ( 0.000 6.745 0.868) 6.800 14.421 ( 0.000 -1.097 -4.218) 4.358 14.472 ( 0.000 0.435 -4.670) 4.690 14.758 ( 0.000 5.185 14.886) 15.763 14.983 ( 0.000 -6.228 8.357) 10.422 15.022 ( 0.000 -2.970 1.098) 3.166 15.365 ( 0.000 -19.238 13.054) 23.249 18.500 ( 0.000 9.785 5.034) 11.004 18.907 ( 0.000 -10.123 4.852) 11.226 19.393 ( 0.000 3.624 -1.703) 4.004 19.626 ( 0.000 -6.461 -1.175) 6.567 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 8.017 20.897 11.721) 25.266 1.790 ( 6.290 27.706 11.503) 30.651 2.500 ( -2.297 -14.130 1.750) 14.422 2.650 ( 12.351 9.252 8.394) 17.567 2.785 ( -2.711 -7.084 -0.382) 7.595 2.880 ( -1.140 -14.246 -0.567) 14.303 3.190 ( -3.661 0.834 -9.652) 10.356 3.391 ( -3.092 -5.400 -5.968) 8.622 3.623 ( 0.603 11.400 -2.519) 11.690 3.738 ( -0.518 11.587 -2.850) 11.943 3.978 ( -3.832 3.083 -10.621) 11.705 4.264 ( -6.394 -11.780 -2.853) 13.704 5.124 ( 8.549 5.557 2.407) 10.477 5.164 ( 6.298 1.505 11.158) 12.901 5.568 ( -1.477 9.279 3.371) 9.982 5.748 ( -5.825 5.553 0.024) 8.048 6.086 ( 12.117 -1.717 6.859) 14.029 6.329 ( 8.300 1.552 -8.759) 12.166 6.532 ( -2.170 -3.330 -2.750) 4.833 6.933 ( 8.270 -12.205 -2.997) 15.044 7.508 ( -3.754 20.345 3.970) 21.066 7.586 ( 0.785 8.657 3.182) 9.257 7.948 ( 2.633 -6.666 1.121) 7.254 8.219 ( -7.376 7.827 -1.350) 10.839 8.324 ( -5.224 -3.502 3.517) 7.206 8.583 ( 2.798 2.826 4.816) 6.245 8.750 ( 0.918 -4.803 -1.708) 5.180 8.940 ( 2.643 -0.459 0.568) 2.742 9.415 ( 5.460 1.448 -0.366) 5.660 9.632 ( -1.638 -3.030 2.956) 4.539 9.691 ( 3.838 -5.666 4.040) 7.947 9.848 ( 12.063 -5.296 3.544) 13.643 10.232 ( -5.838 4.615 -2.609) 7.886 10.357 ( -0.744 2.202 -3.900) 4.540 10.438 ( -0.694 2.191 -0.602) 2.376 10.791 ( 1.191 -10.306 0.543) 10.388 10.999 ( -1.953 6.318 -5.956) 8.900 11.209 ( 1.337 5.210 4.406) 6.953 11.298 ( -3.719 -6.629 -3.862) 8.526 11.577 ( -2.561 -6.384 -3.782) 7.850 12.377 ( -6.156 2.769 -9.517) 11.668 12.576 ( -1.421 -5.009 -10.141) 11.400 12.774 ( -8.371 -1.274 -7.765) 11.489 12.804 ( -9.160 -1.775 -8.212) 12.429 13.677 ( 3.412 8.738 1.676) 9.529 13.856 ( 5.732 2.874 0.298) 6.419 13.893 ( 2.122 6.351 -2.701) 7.220 14.120 ( -0.244 -3.860 2.334) 4.518 14.192 ( 3.294 6.203 0.853) 7.075 14.336 ( 2.141 4.781 -1.607) 5.480 14.431 ( 0.155 1.219 -3.186) 3.415 14.495 ( 2.002 1.555 -3.793) 4.562 14.776 ( 1.905 4.985 15.097) 16.012 14.973 ( -1.542 -3.551 7.566) 8.499 15.037 ( 1.989 -8.534 3.064) 9.283 15.351 ( -0.837 -16.682 11.900) 20.509 18.538 ( 4.114 9.109 4.879) 11.122 18.964 ( 4.890 -12.068 3.245) 13.420 19.382 ( -1.111 3.546 -2.530) 4.495 19.612 ( -1.501 -6.379 -1.787) 6.792 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 11.672 11.406 13.018) 20.876 1.930 ( 8.735 18.296 8.699) 22.062 2.448 ( -2.706 -13.530 0.049) 13.798 2.677 ( -6.300 -9.042 3.758) 11.643 2.852 ( -1.243 -6.456 -0.046) 6.575 2.890 ( 7.978 -2.951 -2.366) 8.829 3.131 ( -2.101 -4.547 -6.287) 8.039 3.282 ( -6.986 -6.603 -4.648) 10.678 3.642 ( -0.766 12.702 -4.358) 13.451 3.727 ( -0.954 9.247 -1.977) 9.504 3.872 ( -6.009 6.294 -7.597) 11.551 4.094 ( -10.654 -7.902 -1.568) 13.356 5.323 ( 9.990 5.255 4.244) 12.059 5.374 ( 16.640 6.153 2.999) 17.993 5.575 ( 2.158 15.086 2.480) 15.440 5.803 ( 11.815 7.814 4.439) 14.844 6.295 ( 8.819 -3.643 2.363) 9.830 6.387 ( 0.049 -7.557 -1.469) 7.698 6.679 ( 16.326 1.813 -3.471) 16.789 7.096 ( 8.123 -12.369 -6.732) 16.257 7.364 ( -9.760 20.184 1.184) 22.451 7.627 ( 0.505 -0.949 3.898) 4.044 8.024 ( 5.273 2.969 1.429) 6.218 8.080 ( -4.453 6.124 -0.401) 7.583 8.221 ( -5.527 0.333 -1.748) 5.806 8.634 ( 0.801 -3.103 -4.291) 5.356 8.695 ( -4.608 2.825 4.528) 7.051 9.004 ( 1.620 -5.755 6.828) 9.076 9.501 ( 2.526 2.557 -5.366) 6.459 9.551 ( -6.210 -0.818 -11.719) 13.288 9.774 ( 3.548 7.526 4.820) 9.615 10.025 ( 0.009 4.261 -7.416) 8.553 10.231 ( 9.700 -7.349 1.897) 12.317 10.293 ( -2.186 -6.282 -7.248) 9.837 10.471 ( 2.515 5.299 11.689) 13.078 10.823 ( 1.555 -10.620 3.610) 11.324 10.956 ( -1.790 6.496 -2.979) 7.367 11.153 ( -4.490 -1.349 0.274) 4.697 11.309 ( 3.647 0.322 4.003) 5.425 11.550 ( 0.645 -5.507 -2.239) 5.979 12.245 ( -7.456 3.634 -5.645) 10.033 12.457 ( -10.737 -0.051 -7.732) 13.232 12.555 ( -15.779 -2.125 -8.113) 17.869 12.609 ( -8.404 -7.375 -6.007) 12.693 13.769 ( 5.861 7.678 1.000) 9.711 13.896 ( 1.506 4.338 -0.861) 4.671 14.011 ( 6.066 -0.016 -1.421) 6.231 14.121 ( 0.135 -3.745 1.550) 4.056 14.282 ( 5.329 7.138 -5.354) 10.393 14.383 ( 2.354 2.376 -4.997) 6.013 14.427 ( -0.180 3.105 -2.995) 4.318 14.515 ( -0.201 2.902 -2.352) 3.741 14.832 ( 3.866 4.135 13.618) 14.747 14.937 ( -0.985 -1.413 9.350) 9.508 15.092 ( 3.242 -11.390 4.184) 12.560 15.343 ( -0.337 -12.804 10.547) 16.592 18.661 ( 8.516 6.929 3.778) 11.611 19.057 ( 4.326 -12.382 0.362) 13.121 19.352 ( -2.035 3.017 -4.341) 5.665 19.563 ( -3.713 -5.986 -3.078) 7.687 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 6.231 8.300 9.729) 14.226 2.161 ( 12.767 0.551 6.689) 14.424 2.394 ( -3.705 -9.924 -1.222) 10.663 2.564 ( -4.050 -9.033 4.950) 11.068 2.849 ( 1.354 -3.352 -0.697) 3.681 2.953 ( -0.048 -3.009 -6.076) 6.781 3.108 ( -1.038 -9.401 0.235) 9.461 3.160 ( -5.361 -5.399 -4.974) 9.090 3.579 ( -4.585 8.412 -4.996) 10.805 3.646 ( -6.197 5.820 -4.173) 9.470 3.777 ( -5.732 2.869 -1.683) 6.627 3.895 ( -8.679 -4.017 0.316) 9.569 5.519 ( 9.797 13.312 2.421) 16.705 5.651 ( 8.131 20.357 5.918) 22.705 5.759 ( 17.689 -3.377 1.176) 18.046 6.065 ( 12.786 7.373 -0.689) 14.775 6.348 ( 0.319 -2.645 -5.588) 6.191 6.579 ( 18.622 0.343 5.861) 19.526 7.000 ( 10.902 0.603 -6.443) 12.678 7.113 ( -7.572 8.220 -0.165) 11.177 7.317 ( 10.954 -3.263 -5.795) 12.815 7.540 ( -7.977 -4.483 2.809) 9.572 8.008 ( -8.796 6.581 -7.951) 13.561 8.108 ( 0.469 9.837 -3.272) 10.378 8.209 ( 8.577 2.435 2.238) 9.193 8.519 ( -8.152 -2.071 -9.051) 12.356 8.680 ( -0.303 0.019 0.075) 0.312 8.959 ( -5.785 -7.250 6.627) 11.399 9.391 ( -6.399 7.785 -14.124) 17.350 9.568 ( 0.263 0.977 -5.101) 5.201 9.745 ( -2.767 4.393 -2.421) 5.729 10.026 ( -0.705 5.680 5.317) 7.812 10.220 ( -0.183 -5.072 -6.249) 8.050 10.421 ( -3.077 2.853 9.959) 10.807 10.574 ( 13.548 -8.589 4.057) 16.546 10.833 ( -0.638 -15.013 6.325) 16.303 10.988 ( 5.660 11.935 1.062) 13.252 11.096 ( -1.367 3.690 3.746) 5.433 11.419 ( 7.970 -2.251 2.803) 8.743 11.609 ( 4.857 -5.452 -3.831) 8.246 12.102 ( -6.580 1.417 -0.459) 6.747 12.214 ( -13.662 1.525 -5.493) 14.803 12.230 ( -16.827 -0.599 -7.776) 18.546 12.432 ( -10.196 -9.222 -2.641) 13.999 13.886 ( 5.715 6.145 0.078) 8.393 13.939 ( 2.924 3.491 -1.465) 4.783 14.087 ( 1.787 -2.418 -0.884) 3.134 14.124 ( 0.227 -2.674 0.983) 2.858 14.341 ( 0.627 3.909 -8.017) 8.941 14.410 ( -0.051 1.780 -3.906) 4.293 14.441 ( 1.254 3.252 -5.689) 6.672 14.499 ( -0.945 1.356 -5.233) 5.488 14.918 ( 5.503 -0.380 9.025) 10.578 14.979 ( 5.031 3.571 13.112) 14.491 15.140 ( 1.271 -8.994 4.432) 10.107 15.317 ( -2.780 -9.487 10.218) 14.218 18.857 ( 11.507 3.653 1.438) 12.158 19.128 ( 3.238 -9.083 -2.641) 9.998 19.305 ( -2.731 1.572 -5.840) 6.636 19.463 ( -6.775 -4.937 -3.887) 9.241 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 5.516 0.592 5.055) 7.505 2.265 ( -5.678 -4.997 2.523) 7.973 2.402 ( 8.474 -6.808 3.484) 11.415 2.516 ( -2.931 -11.703 4.519) 12.883 2.901 ( 3.355 -1.014 -3.525) 4.971 2.943 ( -0.809 -0.208 -4.006) 4.092 3.070 ( -1.922 -6.440 0.303) 6.728 3.081 ( -2.732 -5.287 -2.237) 6.358 3.506 ( -1.906 5.293 -4.531) 7.223 3.537 ( -4.714 4.680 -3.915) 7.710 3.693 ( -0.268 -1.670 1.065) 1.998 3.760 ( -5.875 -3.087 1.685) 6.848 5.681 ( 6.494 17.128 2.607) 18.503 5.742 ( 0.742 17.948 5.117) 18.678 6.048 ( 11.106 -4.891 0.488) 12.145 6.187 ( -2.419 -4.610 -1.172) 5.336 6.473 ( 14.799 11.115 -0.639) 18.519 6.794 ( -16.564 12.829 2.246) 21.071 6.995 ( 20.641 -2.541 -2.642) 20.964 7.226 ( 0.604 -6.007 -5.663) 8.277 7.413 ( 2.743 1.029 1.030) 3.106 7.604 ( 7.179 4.549 -12.706) 15.287 7.757 ( -7.362 4.991 -6.972) 11.301 7.998 ( -13.409 4.763 -12.263) 18.785 8.369 ( 6.085 6.171 -6.765) 10.994 8.444 ( -1.223 1.584 -5.482) 5.836 8.682 ( 3.393 -4.663 -3.950) 6.990 8.818 ( -8.304 -6.457 3.384) 11.050 9.354 ( 2.714 11.910 -3.354) 12.667 9.465 ( -7.680 11.559 -0.232) 13.880 9.802 ( 6.824 -7.357 -4.575) 11.028 9.950 ( -7.095 -8.355 1.765) 11.102 10.247 ( 2.910 5.359 4.753) 7.732 10.326 ( -4.912 3.456 10.441) 12.046 10.779 ( 5.716 -14.060 3.898) 15.670 10.823 ( -0.448 -15.692 5.693) 16.698 11.093 ( 3.960 13.212 3.311) 14.185 11.118 ( 2.443 14.640 5.251) 15.744 11.604 ( 10.235 -5.549 -0.091) 11.642 11.694 ( 2.757 -4.727 -5.821) 7.989 11.929 ( -10.811 1.673 -6.479) 12.714 11.959 ( -11.070 3.219 -4.687) 12.445 12.077 ( 3.310 -4.970 2.452) 6.455 12.228 ( -10.415 -8.772 1.141) 13.664 13.973 ( 3.210 4.241 -1.972) 5.672 13.994 ( 1.627 2.600 -2.141) 3.740 14.098 ( 0.403 -1.641 0.032) 1.690 14.119 ( -1.082 -2.059 0.608) 2.405 14.350 ( 0.951 2.913 -4.980) 5.847 14.382 ( -2.151 2.649 -2.311) 4.121 14.460 ( 0.975 0.470 -8.451) 8.520 14.481 ( -1.091 -0.024 -8.545) 8.614 15.044 ( 6.380 -0.683 8.651) 10.771 15.094 ( 6.329 -0.822 11.997) 13.589 15.132 ( -1.849 -4.044 4.358) 6.226 15.230 ( -6.161 -5.991 9.457) 12.778 19.086 ( 11.885 0.134 -1.417) 11.970 19.188 ( 3.000 -4.685 -5.108) 7.553 19.249 ( -3.061 -1.009 -6.138) 6.933 19.302 ( -9.854 -2.971 -3.279) 10.801 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 -18.640 3.031) 18.884 2.101 ( 0.000 18.640 3.031) 18.884 2.357 ( 0.000 -22.167 7.511) 23.405 2.357 ( 0.000 22.167 7.511) 23.405 2.724 ( 0.000 -1.921 -2.196) 2.917 2.724 ( 0.000 1.921 -2.196) 2.917 3.334 ( 0.000 -4.930 -6.660) 8.286 3.334 ( 0.000 4.930 -6.660) 8.286 3.891 ( 0.000 -12.444 -5.473) 13.594 3.891 ( 0.000 12.444 -5.473) 13.594 4.028 ( 0.000 -14.597 -3.236) 14.952 4.028 ( 0.000 14.597 -3.236) 14.952 5.099 ( 0.000 -1.017 11.369) 11.414 5.099 ( 0.000 1.017 11.369) 11.414 5.686 ( 0.000 -2.381 1.397) 2.761 5.686 ( 0.000 2.381 1.397) 2.761 6.268 ( 0.000 -1.629 -7.891) 8.058 6.268 ( 0.000 1.629 -7.891) 8.058 6.560 ( 0.000 -9.529 1.054) 9.587 6.560 ( 0.000 9.529 1.054) 9.587 7.665 ( 0.000 -9.580 2.964) 10.028 7.665 ( 0.000 9.580 2.964) 10.028 8.164 ( 0.000 -18.246 4.974) 18.912 8.164 ( 0.000 18.246 4.974) 18.912 8.510 ( 0.000 -11.469 -7.162) 13.522 8.510 ( 0.000 11.469 -7.162) 13.522 8.761 ( 0.000 -12.270 8.040) 14.669 8.761 ( 0.000 12.270 8.040) 14.669 9.415 ( 0.000 -6.793 -0.687) 6.827 9.415 ( 0.000 6.793 -0.687) 6.827 9.647 ( 0.000 -3.528 10.131) 10.728 9.647 ( 0.000 3.528 10.131) 10.728 10.426 ( 0.000 -1.200 -7.031) 7.133 10.426 ( 0.000 1.200 -7.031) 7.133 10.532 ( 0.000 -11.738 3.512) 12.253 10.532 ( 0.000 11.738 3.512) 12.253 11.169 ( 0.000 -7.771 -6.330) 10.023 11.169 ( 0.000 7.771 -6.330) 10.023 11.394 ( 0.000 -11.309 1.203) 11.372 11.394 ( 0.000 11.309 1.203) 11.372 12.490 ( 0.000 -2.480 -11.025) 11.300 12.490 ( 0.000 2.480 -11.025) 11.300 12.876 ( 0.000 -0.530 -10.045) 10.059 12.876 ( 0.000 0.530 -10.045) 10.059 13.794 ( 0.000 -3.903 1.942) 4.360 13.794 ( 0.000 3.903 1.942) 4.360 14.014 ( 0.000 -6.040 -1.011) 6.124 14.014 ( 0.000 6.040 -1.011) 6.124 14.327 ( 0.000 -8.145 -6.061) 10.153 14.327 ( 0.000 8.145 -6.061) 10.153 14.436 ( 0.000 -3.961 -2.768) 4.832 14.436 ( 0.000 3.961 -2.768) 4.832 14.909 ( 0.000 -3.500 8.060) 8.787 14.909 ( 0.000 3.500 8.060) 8.787 15.011 ( 0.000 -9.870 17.733) 20.295 15.011 ( 0.000 9.870 17.733) 20.295 18.705 ( 0.000 -9.645 3.132) 10.141 18.705 ( 0.000 9.645 3.132) 10.141 19.493 ( 0.000 -5.827 -1.516) 6.021 19.493 ( 0.000 5.827 -1.516) 6.021 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.657 -17.725 3.095) 18.006 2.105 ( 0.657 17.726 3.095) 18.006 2.373 ( 0.867 -22.216 9.753) 24.278 2.373 ( 0.867 22.216 9.753) 24.278 2.754 ( 2.596 -1.139 -3.469) 4.480 2.754 ( 2.596 1.139 -3.469) 4.480 3.274 ( -5.579 -5.661 -6.942) 10.553 3.274 ( -5.579 5.661 -6.942) 10.553 3.900 ( 0.274 -9.753 -6.570) 11.763 3.900 ( 0.274 9.753 -6.570) 11.763 4.005 ( -2.520 -12.288 -2.757) 12.843 4.005 ( -2.520 12.288 -2.757) 12.843 5.168 ( 7.204 -0.633 8.407) 11.090 5.168 ( 7.204 0.633 8.407) 11.090 5.731 ( 5.335 -5.770 3.916) 8.780 5.731 ( 5.335 5.770 3.916) 8.780 6.229 ( -2.048 -10.037 -4.111) 11.038 6.229 ( -2.048 10.037 -4.111) 11.038 6.646 ( 7.494 -12.990 -1.387) 15.061 6.646 ( 7.494 12.990 -1.387) 15.061 7.657 ( -1.040 -6.244 1.392) 6.481 7.657 ( -1.040 6.244 1.392) 6.481 8.128 ( -3.327 -13.277 4.604) 14.441 8.128 ( -3.327 13.277 4.604) 14.441 8.492 ( -1.657 -13.075 -6.489) 14.690 8.492 ( -1.657 13.075 -6.489) 14.690 8.788 ( 2.461 -9.736 8.796) 13.350 8.788 ( 2.461 9.736 8.796) 13.350 9.481 ( 3.735 -6.753 -2.531) 8.122 9.481 ( 3.735 6.753 -2.531) 8.122 9.739 ( 10.895 -5.188 6.944) 13.923 9.739 ( 10.895 5.188 6.944) 13.923 10.335 ( -8.341 -3.775 -9.298) 13.049 10.335 ( -8.341 3.775 -9.298) 13.049 10.566 ( 2.721 -9.384 6.311) 11.632 10.566 ( 2.721 9.384 6.311) 11.632 11.138 ( -2.854 -6.736 -6.500) 9.787 11.138 ( -2.854 6.736 -6.500) 9.787 11.393 ( -0.178 -9.714 3.497) 10.325 11.393 ( -0.178 9.714 3.497) 10.325 12.463 ( -2.963 -5.180 -10.427) 12.014 12.463 ( -2.963 5.180 -10.427) 12.014 12.774 ( -9.918 -0.894 -9.590) 13.825 12.774 ( -9.918 0.894 -9.590) 13.825 13.833 ( 3.687 -5.043 1.451) 6.413 13.833 ( 3.687 5.043 1.451) 6.413 14.016 ( 0.318 -5.514 0.018) 5.524 14.016 ( 0.318 5.514 0.018) 5.524 14.349 ( 2.038 -5.252 -6.761) 8.800 14.349 ( 2.038 5.252 -6.761) 8.800 14.474 ( 3.124 -3.071 -3.830) 5.819 14.474 ( 3.124 3.071 -3.830) 5.819 14.890 ( -1.177 -4.264 8.774) 9.827 14.890 ( -1.177 4.264 8.774) 9.827 15.030 ( 1.756 -11.738 16.531) 20.350 15.030 ( 1.756 11.738 16.531) 20.350 18.739 ( 3.398 -9.982 2.889) 10.933 18.739 ( 3.398 9.982 2.889) 10.933 19.481 ( -1.300 -5.761 -2.246) 6.319 19.481 ( -1.300 5.761 -2.246) 6.319 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.236 -12.003 3.538) 12.712 2.133 ( 2.236 12.003 3.538) 12.712 2.372 ( -0.961 -17.942 11.303) 21.227 2.372 ( -0.961 17.942 11.303) 21.227 2.801 ( 2.034 -2.607 -3.376) 4.726 2.801 ( 2.034 2.607 -3.376) 4.726 3.155 ( -5.963 -4.875 -6.751) 10.242 3.155 ( -5.963 4.875 -6.751) 10.242 3.856 ( -5.534 -3.188 -7.691) 9.998 3.856 ( -5.534 3.188 -7.691) 9.998 3.934 ( -4.792 -4.759 -1.892) 7.013 3.934 ( -4.792 4.759 -1.892) 7.013 5.377 ( 14.203 -1.673 3.877) 14.817 5.377 ( 14.203 1.673 3.877) 14.817 5.888 ( 9.573 -5.298 3.532) 11.497 5.888 ( 9.573 5.298 3.532) 11.497 6.253 ( 5.710 -2.174 0.448) 6.126 6.253 ( 5.710 2.174 0.448) 6.126 6.821 ( 10.804 -11.853 -2.804) 16.281 6.821 ( 10.804 11.853 -2.804) 16.281 7.594 ( -6.582 -3.584 1.088) 7.574 7.594 ( -6.582 3.584 1.088) 7.574 8.085 ( 0.315 -4.089 -0.278) 4.111 8.085 ( 0.315 4.089 -0.278) 4.111 8.457 ( -1.898 -14.555 -4.493) 15.351 8.457 ( -1.898 14.555 -4.493) 15.351 8.822 ( -0.053 -9.049 9.061) 12.806 8.822 ( -0.053 9.049 9.061) 12.806 9.506 ( -0.437 -2.399 -8.142) 8.500 9.506 ( -0.437 2.399 -8.142) 8.500 10.028 ( 15.504 -9.915 1.142) 18.439 10.028 ( 15.504 9.915 1.142) 18.439 10.154 ( -8.377 -4.662 -6.194) 11.414 10.154 ( -8.377 4.662 -6.194) 11.414 10.600 ( -0.243 -8.094 9.203) 12.258 10.600 ( -0.243 8.094 9.203) 12.258 11.095 ( -0.209 -5.123 -5.748) 7.702 11.095 ( -0.209 5.123 -5.748) 7.702 11.393 ( 0.630 -7.811 6.604) 10.248 11.393 ( 0.630 7.811 6.604) 10.248 12.371 ( -6.649 -7.330 -8.260) 12.890 12.371 ( -6.649 7.330 -8.260) 12.890 12.530 ( -14.521 -0.708 -8.740) 16.963 12.530 ( -14.521 0.708 -8.740) 16.963 13.917 ( 4.548 -4.932 0.628) 6.738 13.917 ( 4.548 4.932 0.628) 6.738 14.028 ( 0.924 -4.324 1.208) 4.583 14.028 ( 0.924 4.324 1.208) 4.583 14.389 ( 1.700 -2.192 -7.650) 8.137 14.389 ( 1.700 2.192 -7.650) 8.137 14.516 ( 0.547 -3.459 -5.147) 6.226 14.516 ( 0.547 3.459 -5.147) 6.226 14.895 ( 2.188 -5.423 8.389) 10.226 14.895 ( 2.188 5.423 8.389) 10.226 15.074 ( 2.655 -11.922 14.642) 19.067 15.074 ( 2.655 11.922 14.642) 19.067 18.830 ( 5.961 -9.361 1.749) 11.234 18.830 ( 5.961 9.361 1.749) 11.234 19.441 ( -2.926 -5.335 -3.841) 7.196 19.441 ( -2.926 5.335 -3.841) 7.196 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.051 -5.215 4.433) 7.494 2.186 ( 3.051 5.215 4.433) 7.494 2.340 ( -2.209 -10.481 8.658) 13.772 2.340 ( -2.209 10.481 8.658) 13.772 2.842 ( 2.670 -3.881 -1.243) 4.872 2.842 ( 2.670 3.881 -1.243) 4.872 3.063 ( -3.633 -3.191 -5.242) 7.131 3.063 ( -3.633 3.191 -5.242) 7.131 3.718 ( -7.485 -2.753 -6.203) 10.103 3.718 ( -7.485 2.753 -6.203) 10.103 3.813 ( -7.541 -3.006 -1.619) 8.278 3.813 ( -7.541 3.006 -1.619) 8.278 5.673 ( 15.101 -4.830 2.587) 16.064 5.673 ( 15.101 4.830 2.587) 16.064 6.029 ( 4.180 -11.855 0.953) 12.606 6.029 ( 4.180 11.855 0.953) 12.606 6.463 ( 14.972 -10.956 -0.043) 18.553 6.463 ( 14.972 10.956 -0.043) 18.553 7.067 ( 13.513 -7.363 -6.380) 16.659 7.067 ( 13.513 7.363 -6.380) 16.659 7.417 ( -9.145 -7.458 4.022) 12.467 7.417 ( -9.145 7.458 4.022) 12.467 8.116 ( -0.607 -4.910 -8.745) 10.047 8.116 ( -0.607 4.910 -8.745) 10.047 8.424 ( -0.234 -10.175 -1.727) 10.323 8.424 ( -0.234 10.175 -1.727) 10.323 8.766 ( -5.316 -8.717 3.557) 10.812 8.766 ( -5.316 8.717 3.557) 10.812 9.501 ( 0.966 -4.652 -8.753) 9.959 9.501 ( 0.966 4.652 -8.753) 9.959 9.954 ( -9.695 -10.534 -3.630) 14.770 9.954 ( -9.695 10.534 -3.630) 14.770 10.328 ( 11.227 -11.643 3.634) 16.578 10.328 ( 11.227 11.643 3.634) 16.578 10.553 ( -3.569 -9.231 9.893) 13.993 10.553 ( -3.569 9.231 9.893) 13.993 11.163 ( 7.292 -3.654 -3.198) 8.761 11.163 ( 7.292 3.654 -3.198) 8.761 11.437 ( 4.020 -8.062 6.923) 11.362 11.437 ( 4.020 8.062 6.923) 11.362 12.200 ( -11.640 -4.678 -6.342) 14.057 12.200 ( -11.640 4.678 -6.342) 14.057 12.255 ( -12.489 -4.702 -6.370) 14.787 12.255 ( -12.489 4.702 -6.370) 14.787 13.995 ( 3.424 -2.180 -0.215) 4.065 13.995 ( 3.424 2.180 -0.215) 4.065 14.050 ( 1.212 -2.638 1.152) 3.123 14.050 ( 1.212 2.638 1.152) 3.123 14.409 ( 0.490 -2.123 -7.399) 7.713 14.409 ( 0.490 2.123 -7.399) 7.713 14.496 ( -2.146 -1.685 -4.947) 5.649 14.496 ( -2.146 1.685 -4.947) 5.649 14.970 ( 4.989 -6.003 6.949) 10.451 14.970 ( 4.989 6.003 6.949) 10.451 15.119 ( 1.537 -8.767 11.938) 14.891 15.119 ( 1.537 8.767 11.938) 14.891 18.961 ( 7.504 -6.510 -0.513) 9.948 18.961 ( 7.504 6.510 -0.513) 9.948 19.366 ( -4.903 -4.028 -5.035) 8.100 19.366 ( -4.903 4.028 -5.035) 8.100 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 2.711 -2.631 5.299) 6.508 2.242 ( 2.711 2.631 5.299) 6.508 2.293 ( -2.630 -3.036 5.824) 7.075 2.293 ( -2.630 3.036 5.824) 7.075 2.913 ( 4.580 -2.387 -1.034) 5.267 2.913 ( 4.580 2.387 -1.034) 5.267 2.998 ( -3.749 -1.752 -3.052) 5.142 2.998 ( -3.749 1.752 -3.052) 5.142 3.622 ( -1.380 -3.861 -3.921) 5.674 3.622 ( -1.380 3.861 -3.921) 5.674 3.673 ( -5.982 -4.832 -1.880) 7.916 3.673 ( -5.982 4.832 -1.880) 7.916 5.918 ( 9.877 -7.194 2.535) 12.480 5.918 ( 9.877 7.194 2.535) 12.480 6.042 ( -2.895 -9.553 2.242) 10.230 6.042 ( -2.895 9.553 2.242) 10.230 6.770 ( 16.039 -15.098 -2.362) 22.154 6.770 ( 16.039 15.098 -2.362) 22.154 7.058 ( -12.904 -11.003 -3.023) 17.226 7.058 ( -12.904 11.003 -3.023) 17.226 7.544 ( 20.078 -8.333 -5.855) 22.514 7.544 ( 20.078 8.333 -5.855) 22.514 7.933 ( -17.470 -8.847 -11.654) 22.788 7.933 ( -17.470 8.847 -11.654) 22.788 8.506 ( 7.363 -3.956 -2.044) 8.605 8.506 ( 7.363 3.956 -2.044) 8.605 8.647 ( -6.793 -7.025 -0.977) 9.821 8.647 ( -6.793 7.025 -0.977) 9.821 9.574 ( 6.938 -8.143 -2.690) 11.031 9.574 ( 6.938 8.143 -2.690) 11.031 9.753 ( -10.787 -9.350 -0.588) 14.287 9.753 ( -10.787 9.350 -0.588) 14.287 10.460 ( 3.303 -11.766 5.879) 13.562 10.460 ( 3.303 11.766 5.879) 13.562 10.501 ( -1.800 -10.636 8.159) 13.525 10.501 ( -1.800 10.636 8.159) 13.525 11.354 ( 11.222 -6.223 -0.820) 12.858 11.354 ( 11.222 6.223 -0.820) 12.858 11.496 ( -0.923 -8.351 3.799) 9.221 11.496 ( -0.923 8.351 3.799) 9.221 12.000 ( -5.145 -3.458 -5.284) 8.145 12.000 ( -5.145 3.458 -5.284) 8.145 12.055 ( -8.482 -6.852 -3.096) 11.335 12.055 ( -8.482 6.852 -3.096) 11.335 14.046 ( 1.832 -1.094 -0.563) 2.206 14.046 ( 1.832 1.094 -0.563) 2.206 14.064 ( -0.015 -1.977 0.230) 1.991 14.064 ( -0.015 1.977 0.230) 1.991 14.420 ( 1.006 -2.737 -6.276) 6.921 14.420 ( 1.006 2.737 -6.276) 6.921 14.451 ( -2.170 -2.308 -5.101) 6.004 14.451 ( -2.170 2.308 -5.101) 6.004 15.063 ( 4.266 -2.293 7.126) 8.616 15.063 ( 4.266 2.293 7.126) 8.616 15.120 ( -1.474 -3.690 9.109) 9.938 15.120 ( -1.474 3.690 9.109) 9.938 19.111 ( 7.799 -2.405 -3.100) 8.731 19.111 ( 7.799 2.405 -3.100) 8.731 19.253 ( -6.772 -1.417 -4.840) 8.443 19.253 ( -6.772 1.417 -4.840) 8.443 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 0.000 30.435) 30.435 1.429 ( 0.000 0.000 32.092) 32.092 2.518 ( 0.000 0.000 50.213) 50.213 2.812 ( 0.000 0.000 3.981) 3.981 2.912 ( 0.000 0.000 -20.946) 20.946 3.148 ( 0.000 0.000 2.784) 2.784 3.211 ( 0.000 0.000 -5.396) 5.396 3.385 ( 0.000 0.000 -10.677) 10.677 3.412 ( 0.000 0.000 -19.901) 19.901 3.484 ( 0.000 0.000 -5.185) 5.185 3.568 ( 0.000 0.000 -3.093) 3.093 4.536 ( 0.000 0.000 5.660) 5.660 4.613 ( 0.000 0.000 -4.797) 4.797 5.175 ( 0.000 0.000 8.235) 8.235 5.880 ( 0.000 0.000 -4.464) 4.464 5.945 ( 0.000 0.000 16.334) 16.334 6.006 ( 0.000 0.000 2.508) 2.508 6.089 ( 0.000 0.000 -1.127) 1.127 6.412 ( 0.000 0.000 -16.606) 16.606 6.718 ( 0.000 0.000 1.133) 1.133 7.151 ( 0.000 0.000 7.815) 7.815 7.979 ( 0.000 0.000 -2.885) 2.885 8.013 ( 0.000 0.000 25.932) 25.932 8.062 ( 0.000 0.000 -20.481) 20.481 8.324 ( 0.000 0.000 -14.405) 14.405 8.548 ( 0.000 0.000 -5.723) 5.723 8.608 ( 0.000 0.000 10.403) 10.403 8.725 ( 0.000 0.000 2.484) 2.484 9.859 ( 0.000 0.000 8.736) 8.736 9.883 ( 0.000 0.000 2.642) 2.642 9.991 ( 0.000 0.000 -3.708) 3.708 10.040 ( 0.000 0.000 -14.135) 14.135 10.075 ( 0.000 0.000 2.380) 2.380 10.203 ( 0.000 0.000 10.357) 10.357 10.355 ( 0.000 0.000 10.358) 10.358 10.722 ( 0.000 0.000 -9.190) 9.190 10.745 ( 0.000 0.000 -1.914) 1.914 11.030 ( 0.000 0.000 5.864) 5.864 11.205 ( 0.000 0.000 -12.160) 12.160 11.573 ( 0.000 0.000 -9.377) 9.377 12.222 ( 0.000 0.000 -10.156) 10.156 12.536 ( 0.000 0.000 -18.632) 18.632 12.641 ( 0.000 0.000 -7.457) 7.457 12.826 ( 0.000 0.000 -7.192) 7.192 13.437 ( 0.000 0.000 4.162) 4.162 13.696 ( 0.000 0.000 -1.950) 1.950 13.899 ( 0.000 0.000 0.724) 0.724 14.147 ( 0.000 0.000 -0.843) 0.843 14.260 ( 0.000 0.000 1.798) 1.798 14.273 ( 0.000 0.000 -0.309) 0.309 14.306 ( 0.000 0.000 -6.168) 6.168 14.396 ( 0.000 0.000 -0.568) 0.568 14.940 ( 0.000 0.000 10.230) 10.230 14.966 ( 0.000 0.000 19.485) 19.485 15.351 ( 0.000 0.000 6.397) 6.397 15.935 ( 0.000 0.000 3.439) 3.439 18.513 ( 0.000 0.000 16.684) 16.684 19.280 ( 0.000 0.000 -2.576) 2.576 19.432 ( 0.000 0.000 -3.787) 3.787 19.760 ( 0.000 0.000 -2.684) 2.684 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 10.611 0.000 25.720) 27.823 1.576 ( 14.277 0.000 26.836) 30.397 2.727 ( 17.523 0.000 34.754) 38.922 2.812 ( -0.399 0.000 2.347) 2.381 2.926 ( 2.713 0.000 -11.184) 11.509 3.047 ( -6.007 0.000 -1.524) 6.197 3.300 ( 1.108 0.000 0.403) 1.179 3.313 ( -5.553 0.000 -11.728) 12.976 3.379 ( -4.973 0.000 -14.842) 15.653 3.401 ( -2.513 0.000 -5.157) 5.737 3.569 ( 0.465 0.000 -4.323) 4.348 4.536 ( -7.775 0.000 -3.991) 8.740 4.601 ( 6.228 0.000 4.908) 7.929 5.214 ( 3.617 0.000 8.131) 8.899 5.645 ( -10.772 0.000 7.544) 13.151 5.774 ( -6.190 0.000 10.737) 12.393 6.237 ( 3.918 0.000 -18.637) 19.044 6.254 ( 14.412 0.000 4.731) 15.169 6.561 ( 13.853 0.000 -8.501) 16.253 6.709 ( -0.773 0.000 1.205) 1.432 7.191 ( 2.740 0.000 8.100) 8.551 7.920 ( -6.722 0.000 11.259) 13.113 7.927 ( -5.620 0.000 -2.740) 6.253 8.064 ( -1.120 0.000 -12.352) 12.402 8.359 ( 2.217 0.000 -9.562) 9.816 8.548 ( -5.717 0.000 2.458) 6.223 8.560 ( 2.781 0.000 -3.612) 4.559 8.823 ( 6.163 0.000 7.735) 9.890 9.554 ( -14.212 0.000 13.822) 19.825 9.605 ( -15.902 0.000 -8.931) 18.238 9.906 ( -11.598 0.000 -7.021) 13.557 10.136 ( 0.566 0.000 -4.367) 4.403 10.177 ( -1.923 0.000 -4.317) 4.726 10.338 ( 16.386 0.000 7.770) 18.135 10.540 ( 14.375 0.000 8.481) 16.691 10.614 ( -6.468 0.000 -1.793) 6.712 10.738 ( -0.772 0.000 0.171) 0.790 11.174 ( 10.357 0.000 2.555) 10.668 11.270 ( 5.852 0.000 -13.278) 14.510 11.503 ( -4.770 0.000 -3.306) 5.804 12.213 ( -1.728 0.000 -8.841) 9.008 12.564 ( 1.793 0.000 -17.937) 18.026 12.565 ( -7.261 0.000 -5.888) 9.349 12.773 ( -5.640 0.000 -7.884) 9.694 13.486 ( 4.445 0.000 2.175) 4.949 13.697 ( 0.368 0.000 -2.412) 2.440 13.789 ( -5.615 0.000 3.433) 6.581 14.151 ( 0.443 0.000 -0.678) 0.811 14.227 ( -2.564 0.000 -0.921) 2.724 14.317 ( 2.419 0.000 1.549) 2.872 14.331 ( 1.619 0.000 -3.020) 3.426 14.400 ( 0.341 0.000 -0.527) 0.628 14.978 ( 1.664 0.000 15.890) 15.977 15.036 ( 6.511 0.000 7.331) 9.805 15.408 ( 4.725 0.000 5.613) 7.336 15.870 ( -4.887 0.000 6.050) 7.778 18.560 ( 4.878 0.000 15.352) 16.109 19.238 ( -4.090 0.000 -3.821) 5.597 19.443 ( 0.165 0.000 -5.615) 5.618 19.732 ( -2.862 0.000 -3.245) 4.327 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 15.341 0.000 16.430) 22.479 1.917 ( 19.445 0.000 16.147) 25.275 2.768 ( -4.851 0.000 -3.055) 5.732 2.813 ( -4.269 0.000 -12.043) 12.777 2.943 ( -4.839 0.000 -4.547) 6.640 3.139 ( 2.392 0.000 16.594) 16.765 3.217 ( -6.348 0.000 -7.469) 9.803 3.219 ( -8.016 0.000 -7.339) 10.868 3.248 ( 5.570 0.000 1.347) 5.731 3.528 ( 9.035 0.000 -3.266) 9.607 3.626 ( 9.955 0.000 3.670) 10.610 4.339 ( -11.423 0.000 -0.724) 11.446 4.744 ( 7.866 0.000 3.730) 8.706 5.284 ( 2.650 0.000 7.367) 7.829 5.566 ( 2.544 0.000 5.164) 5.757 5.764 ( 5.523 0.000 7.445) 9.270 6.290 ( 3.113 0.000 -15.695) 16.001 6.518 ( 12.916 0.000 -0.973) 12.952 6.694 ( -0.786 0.000 2.309) 2.440 6.819 ( 11.687 0.000 -0.284) 11.690 7.197 ( -2.106 0.000 2.266) 3.093 7.796 ( -6.445 0.000 1.594) 6.639 7.800 ( -6.090 0.000 0.040) 6.090 8.021 ( -3.055 0.000 -8.977) 9.482 8.256 ( -15.206 0.000 -0.049) 15.206 8.509 ( 3.741 0.000 -12.442) 12.992 8.666 ( 6.615 0.000 -2.525) 7.080 8.743 ( -16.090 0.000 -8.307) 18.107 9.390 ( -5.150 0.000 10.443) 11.644 9.506 ( 7.410 0.000 -1.139) 7.497 9.684 ( -8.241 0.000 -5.665) 10.000 9.956 ( -16.044 0.000 1.160) 16.086 10.204 ( 3.330 0.000 -13.307) 13.717 10.508 ( -2.067 0.000 3.697) 4.236 10.667 ( 14.064 0.000 4.754) 14.846 10.727 ( 0.600 0.000 7.029) 7.055 10.804 ( 12.676 0.000 2.559) 12.931 11.347 ( 7.191 0.000 4.449) 8.456 11.387 ( 5.333 0.000 -10.534) 11.807 11.451 ( -0.585 0.000 3.072) 3.127 12.157 ( -3.847 0.000 -6.182) 7.281 12.388 ( -10.629 0.000 -3.006) 11.046 12.495 ( -10.533 0.000 -8.423) 13.486 12.676 ( -2.419 0.000 -11.458) 11.710 13.573 ( 3.798 0.000 -2.674) 4.645 13.723 ( 2.572 0.000 -3.014) 3.962 13.790 ( 5.262 0.000 0.382) 5.276 14.157 ( -1.257 0.000 -2.360) 2.674 14.182 ( -0.638 0.000 0.119) 0.649 14.352 ( 1.234 0.000 1.189) 1.714 14.356 ( 0.939 0.000 -0.432) 1.034 14.404 ( -0.080 0.000 -0.333) 0.343 15.032 ( 4.005 0.000 13.323) 13.912 15.104 ( 0.448 0.000 3.924) 3.949 15.471 ( 1.188 0.000 4.231) 4.394 15.822 ( 0.185 0.000 11.335) 11.336 18.695 ( 8.880 0.000 11.580) 14.593 19.141 ( -5.307 0.000 -7.385) 9.094 19.407 ( -4.124 0.000 -7.714) 8.747 19.650 ( -5.671 0.000 -4.377) 7.164 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 17.216 0.000 8.193) 19.066 2.254 ( 13.674 0.000 3.478) 14.110 2.635 ( -7.979 0.000 -7.353) 10.850 2.735 ( -2.628 0.000 -8.541) 8.936 2.842 ( -5.869 0.000 -3.234) 6.701 3.026 ( -6.715 0.000 -2.295) 7.097 3.053 ( -7.475 0.000 -6.821) 10.119 3.178 ( -1.496 0.000 0.786) 1.690 3.336 ( 2.731 0.000 4.817) 5.537 3.596 ( -0.573 0.000 -8.559) 8.578 3.941 ( 13.286 0.000 14.964) 20.011 4.179 ( -2.691 0.000 5.630) 6.240 4.890 ( 7.337 0.000 3.439) 8.103 5.283 ( -3.027 0.000 5.865) 6.600 5.743 ( 15.883 0.000 -2.167) 16.030 5.972 ( 15.039 0.000 4.913) 15.821 6.364 ( 3.916 0.000 -8.288) 9.167 6.665 ( -2.625 0.000 5.176) 5.803 6.760 ( 12.289 0.000 -7.965) 14.644 6.944 ( 0.055 0.000 14.933) 14.933 7.225 ( 8.050 0.000 -14.694) 16.754 7.626 ( -12.604 0.000 -4.887) 13.518 7.688 ( -8.293 0.000 0.307) 8.298 7.871 ( -21.349 0.000 -9.683) 23.442 7.973 ( -1.042 0.000 -7.801) 7.870 8.378 ( -17.839 0.000 -24.885) 30.619 8.602 ( 5.266 0.000 -6.183) 8.121 8.793 ( 7.023 0.000 0.229) 7.026 9.240 ( -10.430 0.000 6.538) 12.309 9.525 ( -16.621 0.000 -3.578) 17.002 9.753 ( 15.420 0.000 8.655) 17.682 9.788 ( 6.941 0.000 -4.653) 8.356 10.251 ( 0.666 0.000 -13.420) 13.436 10.443 ( -5.247 0.000 1.429) 5.438 10.761 ( 4.301 0.000 9.800) 10.702 10.918 ( 8.915 0.000 10.047) 13.432 11.032 ( 11.162 0.000 2.532) 11.446 11.433 ( -0.318 0.000 5.315) 5.324 11.470 ( 7.056 0.000 6.033) 9.284 11.478 ( 2.667 0.000 -8.739) 9.137 12.021 ( -12.131 0.000 -6.234) 13.639 12.167 ( -12.248 0.000 0.006) 12.248 12.326 ( -2.557 0.000 0.183) 2.563 12.620 ( -4.288 0.000 -6.764) 8.009 13.632 ( 2.907 0.000 -7.608) 8.144 13.779 ( 2.058 0.000 -5.669) 6.031 13.938 ( 8.824 0.000 -5.061) 10.173 14.116 ( -1.233 0.000 -1.730) 2.124 14.196 ( 0.770 0.000 1.180) 1.409 14.346 ( -2.563 0.000 -2.087) 3.305 14.368 ( 0.236 0.000 1.605) 1.623 14.393 ( -0.928 0.000 0.519) 1.063 15.095 ( 1.123 0.000 2.289) 2.550 15.136 ( 5.168 0.000 4.815) 7.063 15.481 ( 0.957 0.000 10.367) 10.411 15.819 ( -2.053 0.000 15.812) 15.945 18.892 ( 11.270 0.000 6.213) 12.869 19.061 ( -2.433 0.000 -11.419) 11.675 19.295 ( -7.044 0.000 -9.992) 12.225 19.515 ( -8.332 0.000 -4.767) 9.599 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 16.535 0.000 3.373) 16.876 2.409 ( 3.961 0.000 -7.504) 8.486 2.495 ( -6.002 0.000 -8.942) 10.770 2.658 ( -9.778 0.000 -0.420) 9.787 2.770 ( 1.959 0.000 -7.269) 7.528 2.881 ( -8.711 0.000 -10.157) 13.380 3.020 ( 5.020 0.000 4.528) 6.760 3.126 ( -4.430 0.000 3.836) 5.860 3.407 ( 4.905 0.000 -0.532) 4.934 3.518 ( -6.137 0.000 -5.628) 8.327 4.094 ( 6.028 0.000 12.712) 14.069 4.180 ( -1.602 0.000 11.077) 11.193 5.033 ( 7.685 0.000 3.776) 8.562 5.179 ( -7.107 0.000 4.518) 8.422 6.125 ( 20.433 0.000 -4.293) 20.879 6.291 ( 16.603 0.000 6.471) 17.819 6.381 ( -4.645 0.000 -1.706) 4.948 6.553 ( -9.693 0.000 8.101) 12.633 6.967 ( 6.793 0.000 0.865) 6.848 7.011 ( 14.257 0.000 -14.190) 20.116 7.267 ( -20.003 0.000 -5.950) 20.869 7.320 ( -17.439 0.000 -13.002) 21.753 7.473 ( 7.196 0.000 -12.973) 14.835 7.640 ( -7.844 0.000 -5.397) 9.521 7.997 ( 3.593 0.000 -13.086) 13.571 8.118 ( -9.369 0.000 -21.239) 23.213 8.737 ( 9.529 0.000 -0.013) 9.529 8.908 ( -0.442 0.000 3.031) 3.063 9.052 ( -3.331 0.000 2.317) 4.058 9.208 ( -13.759 0.000 -0.271) 13.762 10.008 ( 12.371 0.000 -10.765) 16.399 10.048 ( 14.546 0.000 7.765) 16.489 10.199 ( -6.577 0.000 -12.964) 14.537 10.292 ( -10.458 0.000 3.538) 11.040 10.873 ( 6.557 0.000 12.372) 14.002 10.974 ( -2.535 0.000 12.076) 12.339 11.234 ( 9.607 0.000 3.818) 10.337 11.383 ( -5.363 0.000 4.661) 7.106 11.557 ( 6.629 0.000 -6.758) 9.467 11.661 ( 12.551 0.000 4.662) 13.389 11.752 ( -13.348 0.000 -5.737) 14.529 11.919 ( -13.496 0.000 2.693) 13.762 12.381 ( 6.106 0.000 2.219) 6.497 12.511 ( -6.700 0.000 -0.890) 6.759 13.698 ( 3.910 0.000 -10.183) 10.908 13.769 ( -2.866 0.000 -9.926) 10.331 14.104 ( 8.269 0.000 -7.053) 10.869 14.135 ( 2.816 0.000 0.931) 2.966 14.188 ( -1.899 0.000 1.222) 2.259 14.251 ( -6.791 0.000 -5.507) 8.743 14.369 ( 0.094 0.000 2.481) 2.483 14.376 ( -0.681 0.000 1.906) 2.024 15.144 ( 3.585 0.000 -1.900) 4.058 15.195 ( -0.385 0.000 -3.530) 3.551 15.557 ( 7.487 0.000 19.877) 21.240 15.721 ( -7.855 0.000 19.155) 20.703 19.063 ( 2.773 0.000 -13.374) 13.659 19.116 ( 11.736 0.000 0.766) 11.761 19.158 ( -6.597 0.000 -12.429) 14.071 19.332 ( -10.547 0.000 -3.170) 11.013 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 16.069 24.668) 29.440 1.596 ( 0.000 13.169 26.397) 29.500 2.670 ( 0.000 10.348 37.739) 39.132 2.755 ( 0.000 -6.988 -3.103) 7.646 2.895 ( 0.000 -3.379 -11.755) 12.231 3.010 ( 0.000 -4.315 -1.159) 4.468 3.102 ( 0.000 -9.340 -7.723) 12.119 3.320 ( 0.000 -1.390 -8.295) 8.410 3.518 ( 0.000 -1.527 -1.664) 2.258 3.554 ( 0.000 2.189 -3.906) 4.478 3.557 ( 0.000 8.645 -17.802) 19.790 4.488 ( 0.000 -10.301 -5.528) 11.691 4.748 ( 0.000 17.758 2.018) 17.872 5.296 ( 0.000 9.401 12.007) 15.249 5.788 ( 0.000 -8.961 5.761) 10.653 5.813 ( 0.000 -5.178 -2.546) 5.769 6.031 ( 0.000 1.502 -1.033) 1.823 6.147 ( 0.000 1.731 17.440) 17.526 6.387 ( 0.000 0.093 -16.684) 16.685 6.962 ( 0.000 19.902 1.446) 19.955 7.135 ( 0.000 0.483 8.054) 8.068 7.839 ( 0.000 -7.241 13.203) 15.059 7.982 ( 0.000 -7.814 -17.908) 19.538 8.128 ( 0.000 5.063 5.056) 7.155 8.347 ( 0.000 0.015 -12.186) 12.186 8.614 ( 0.000 6.324 -9.383) 11.315 8.679 ( 0.000 6.312 12.320) 13.843 8.817 ( 0.000 7.050 5.430) 8.899 9.606 ( 0.000 -13.916 8.688) 16.405 9.808 ( 0.000 -7.090 0.139) 7.092 9.996 ( 0.000 -2.111 6.236) 6.584 10.040 ( 0.000 2.136 -19.669) 19.785 10.117 ( 0.000 -6.753 13.047) 14.692 10.229 ( 0.000 4.848 -4.384) 6.536 10.345 ( 0.000 0.843 7.840) 7.885 10.784 ( 0.000 2.489 -7.276) 7.690 10.794 ( 0.000 4.060 -2.784) 4.922 11.098 ( 0.000 6.051 6.863) 9.149 11.259 ( 0.000 5.135 -12.588) 13.595 11.479 ( 0.000 -7.886 -10.259) 12.939 12.221 ( 0.000 0.035 -9.908) 9.908 12.536 ( 0.000 0.149 -18.656) 18.656 12.557 ( 0.000 -7.177 -7.428) 10.329 12.826 ( 0.000 -1.068 -6.590) 6.676 13.517 ( 0.000 7.126 3.589) 7.978 13.704 ( 0.000 1.537 -0.796) 1.731 13.875 ( 0.000 -0.607 3.619) 3.670 14.154 ( 0.000 0.524 -1.096) 1.215 14.212 ( 0.000 -4.241 -2.127) 4.744 14.291 ( 0.000 2.656 3.356) 4.280 14.348 ( 0.000 2.326 -3.768) 4.428 14.396 ( 0.000 -0.229 -1.170) 1.193 14.985 ( 0.000 2.355 10.829) 11.082 15.023 ( 0.000 5.755 13.782) 14.936 15.285 ( 0.000 -6.010 6.194) 8.630 15.852 ( 0.000 -7.605 6.578) 10.055 18.550 ( 0.000 3.400 14.376) 14.773 19.266 ( 0.000 -12.975 0.809) 13.001 19.293 ( 0.000 1.333 -2.835) 3.133 19.709 ( 0.000 -4.654 -2.852) 5.458 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 9.063 14.885 21.578) 27.736 1.723 ( 12.394 11.281 22.899) 28.377 2.726 ( -0.649 -6.145 -0.311) 6.187 2.806 ( 7.236 1.383 22.028) 23.228 2.886 ( -1.506 -5.844 -7.438) 9.578 2.964 ( -1.381 -2.157 -3.642) 4.452 3.113 ( 1.084 -6.469 -4.323) 7.856 3.373 ( 4.145 -2.179 -7.419) 8.773 3.457 ( -5.994 1.328 -3.441) 7.038 3.484 ( -3.913 6.253 -5.775) 9.368 3.571 ( 0.361 5.653 -9.551) 11.104 4.413 ( -7.324 -9.633 -4.567) 12.935 4.813 ( 6.179 17.662 2.035) 18.822 5.341 ( 4.327 9.568 12.084) 16.009 5.612 ( -7.920 -2.296 8.261) 11.672 5.748 ( -4.523 -1.649 5.935) 7.642 6.129 ( 5.366 -3.986 -11.087) 12.946 6.354 ( 13.795 1.820 7.339) 15.732 6.468 ( 9.136 -4.112 -8.582) 13.192 6.956 ( -1.028 21.397 0.735) 21.434 7.140 ( 0.121 -3.731 6.950) 7.889 7.815 ( -1.792 -4.852 7.607) 9.198 7.991 ( -0.365 -5.361 -12.126) 13.264 8.056 ( -5.564 4.942 4.517) 8.705 8.366 ( 0.620 -1.146 -9.602) 9.690 8.554 ( -7.726 1.122 -2.798) 8.293 8.650 ( 3.386 8.586 -1.458) 9.344 8.954 ( 6.440 8.786 8.977) 14.116 9.486 ( -7.498 -4.251 9.828) 13.072 9.622 ( -15.772 0.298 -8.475) 17.907 9.892 ( -12.163 -2.057 -4.587) 13.161 9.989 ( 2.994 -9.579 0.464) 10.046 10.126 ( 1.275 -1.603 -8.520) 8.763 10.399 ( 6.425 -7.410 9.009) 13.318 10.461 ( 10.361 6.257 7.716) 14.354 10.762 ( 0.474 5.771 -3.859) 6.959 10.792 ( 0.215 4.268 -1.511) 4.533 11.212 ( 8.528 3.603 3.431) 9.873 11.305 ( 4.295 3.925 -12.443) 13.736 11.413 ( -4.812 -7.927 -4.016) 10.106 12.201 ( -2.189 -0.840 -8.273) 8.599 12.500 ( -5.204 -3.875 -9.461) 11.472 12.543 ( -0.554 -3.726 -15.675) 16.121 12.747 ( -7.858 -2.704 -6.916) 10.812 13.557 ( 3.541 6.383 2.276) 7.646 13.721 ( 1.913 2.961 -1.787) 3.953 13.828 ( -2.075 3.382 3.486) 5.282 14.156 ( 0.277 0.280 -0.960) 1.037 14.204 ( -1.042 -2.478 -1.885) 3.283 14.312 ( 1.438 0.703 2.462) 2.937 14.353 ( 0.395 1.256 -2.637) 2.947 14.416 ( 1.638 1.254 -0.939) 2.266 15.020 ( 1.663 2.492 17.820) 18.070 15.048 ( 3.035 2.065 3.917) 5.368 15.335 ( 4.265 -6.574 6.024) 9.884 15.799 ( -3.970 -6.519 8.290) 11.269 18.591 ( 4.282 2.879 13.298) 14.264 19.243 ( -3.577 -1.447 -3.001) 4.888 19.301 ( 1.191 -9.361 -2.738) 9.826 19.682 ( -2.836 -4.655 -3.439) 6.445 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 11.534 10.910 15.620) 22.272 2.025 ( 17.577 7.475 15.350) 24.504 2.655 ( -5.738 -8.106 -2.897) 10.346 2.811 ( -5.761 -8.213 -2.654) 10.378 2.842 ( -1.985 0.543 -9.497) 9.718 2.974 ( 0.065 -9.032 2.285) 9.317 3.171 ( -1.405 -2.581 -3.463) 4.542 3.329 ( -5.441 1.595 -3.728) 6.785 3.387 ( 0.218 6.228 -0.859) 6.291 3.514 ( 2.610 -0.350 -6.715) 7.213 3.639 ( 10.561 4.561 5.210) 12.629 4.228 ( -10.928 -8.640 -2.090) 14.087 4.959 ( 8.345 18.856 2.726) 20.800 5.444 ( 5.601 11.155 11.357) 16.876 5.569 ( 3.910 0.653 5.057) 6.426 5.751 ( 5.429 0.139 4.527) 7.070 6.205 ( 3.423 -4.897 -13.389) 14.662 6.584 ( 10.702 4.686 1.650) 11.799 6.699 ( 12.446 -8.865 2.347) 15.460 6.918 ( -2.527 18.565 0.698) 18.749 7.133 ( -0.200 -4.661 -1.173) 4.810 7.756 ( -5.276 -0.710 0.848) 5.391 7.946 ( -2.899 7.005 -0.078) 7.582 7.993 ( -2.115 -1.734 -0.587) 2.797 8.250 ( -13.791 -0.457 -3.501) 14.236 8.470 ( -0.290 -3.130 -12.821) 13.201 8.730 ( -1.136 4.750 2.688) 5.574 8.857 ( -10.041 9.860 -16.442) 21.642 9.348 ( -4.737 -3.470 7.909) 9.850 9.555 ( 0.903 1.561 3.267) 3.732 9.716 ( 0.894 4.362 -5.487) 7.066 9.911 ( -10.577 -3.599 -0.486) 11.183 10.155 ( 1.200 -2.829 -11.334) 11.743 10.498 ( 2.970 -2.165 6.623) 7.574 10.643 ( 10.000 -0.711 8.191) 12.947 10.791 ( 2.349 4.775 4.802) 7.168 10.882 ( 8.837 5.115 -1.737) 10.357 11.318 ( 1.528 -2.898 -3.585) 4.857 11.360 ( 1.789 -4.868 5.012) 7.212 11.425 ( 5.882 1.455 -4.003) 7.262 12.144 ( -3.499 -1.049 -5.760) 6.821 12.351 ( -9.761 -2.930 -5.392) 11.530 12.451 ( -11.475 -4.195 -9.108) 15.239 12.603 ( -4.109 -6.611 -10.921) 13.411 13.632 ( 3.877 5.735 -1.260) 7.036 13.760 ( 2.027 3.366 -3.069) 4.986 13.866 ( 5.664 6.228 -0.225) 8.421 14.164 ( 0.134 0.139 -1.598) 1.609 14.174 ( -1.621 -0.530 -1.505) 2.275 14.337 ( 1.055 -0.627 0.297) 1.262 14.364 ( 0.796 0.732 -0.011) 1.081 14.437 ( 0.178 2.273 -0.342) 2.305 15.054 ( 1.897 0.779 12.805) 12.968 15.089 ( 1.232 0.027 4.466) 4.633 15.402 ( 2.101 -6.209 6.015) 8.897 15.757 ( -0.256 -6.070 11.692) 13.176 18.710 ( 7.952 1.557 9.997) 12.868 19.152 ( -5.147 0.710 -6.887) 8.627 19.296 ( -2.104 -8.835 -5.752) 10.750 19.601 ( -5.517 -4.545 -4.649) 8.527 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 11.054 3.924 9.187) 14.899 2.345 ( 14.158 4.603 6.079) 16.081 2.538 ( -5.819 -5.941 -3.564) 9.048 2.687 ( -5.895 -7.171 -2.437) 9.597 2.805 ( -0.934 1.027 -9.279) 9.382 2.959 ( -2.325 -7.609 -1.842) 8.166 3.081 ( -4.619 0.579 -5.603) 7.284 3.199 ( -6.761 2.883 -1.196) 7.447 3.398 ( -0.187 3.821 0.341) 3.840 3.547 ( -0.013 -4.078 -6.203) 7.424 3.849 ( 6.496 -5.617 9.843) 13.062 4.060 ( -4.539 -9.289 3.262) 10.841 5.125 ( 9.019 20.184 3.545) 22.390 5.511 ( 0.369 17.088 8.383) 19.037 5.756 ( 14.876 1.684 -2.409) 15.163 5.962 ( 16.015 -0.764 2.836) 16.282 6.272 ( 3.316 -4.451 -7.272) 9.148 6.770 ( 8.205 1.106 2.207) 8.569 6.831 ( -1.216 6.564 4.898) 8.279 6.934 ( 6.241 4.565 2.650) 8.174 7.186 ( 6.860 -2.924 -12.819) 14.830 7.613 ( -9.745 -0.606 -2.584) 10.100 7.799 ( -18.270 4.239 -3.960) 19.169 7.853 ( -12.339 1.272 -9.737) 15.769 8.039 ( -2.122 6.817 -6.199) 9.455 8.376 ( -12.913 0.244 -17.961) 22.123 8.585 ( 2.687 -1.418 -6.409) 7.092 8.912 ( 6.090 9.962 -2.907) 12.033 9.212 ( -9.542 -2.765 6.003) 11.607 9.515 ( -8.221 -0.418 -2.262) 8.537 9.715 ( -0.625 -2.138 0.141) 2.232 9.930 ( 14.620 11.018 3.720) 18.681 10.165 ( -1.033 -6.421 -11.382) 13.109 10.489 ( -3.255 4.027 3.610) 6.312 10.829 ( 7.794 -0.306 4.723) 9.118 10.904 ( 9.231 3.004 12.183) 15.578 11.048 ( 6.891 1.415 2.860) 7.594 11.323 ( -0.380 -9.078 5.737) 10.746 11.433 ( 5.507 -1.282 -2.115) 6.037 11.510 ( 3.369 0.895 -2.112) 4.075 12.026 ( -11.565 0.492 -6.247) 13.154 12.139 ( -12.006 -2.365 -2.218) 12.436 12.254 ( -3.635 -6.564 -0.724) 7.538 12.532 ( -4.442 -8.068 -7.709) 12.011 13.695 ( 2.845 5.727 -6.394) 9.043 13.809 ( 2.282 2.942 -4.670) 5.973 13.990 ( 6.264 3.828 -4.584) 8.654 14.138 ( -0.597 2.231 -2.353) 3.298 14.174 ( -0.064 -1.928 0.161) 1.936 14.345 ( -0.441 -0.013 -1.644) 1.702 14.378 ( 0.377 0.939 1.769) 2.038 14.415 ( -2.310 1.738 0.100) 2.892 15.080 ( 1.972 -1.117 3.347) 4.042 15.144 ( 3.959 0.816 4.791) 6.268 15.431 ( 1.716 -4.517 11.291) 12.281 15.746 ( -2.147 -6.750 15.136) 16.712 18.888 ( 10.140 -0.211 4.932) 11.278 19.071 ( -2.711 0.830 -10.584) 10.957 19.223 ( -5.058 -5.896 -8.798) 11.737 19.471 ( -7.948 -4.101 -5.177) 10.334 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 7.439 -3.477 2.076) 8.470 2.393 ( -6.638 -5.581 -2.629) 9.063 2.577 ( 7.432 5.230 -1.203) 9.167 2.635 ( 0.015 -2.974 -2.735) 4.040 2.800 ( 0.179 -0.785 -8.248) 8.287 2.877 ( -6.477 -0.922 -5.046) 8.262 3.032 ( 1.447 1.902 0.757) 2.506 3.102 ( -4.068 0.157 2.162) 4.610 3.413 ( 2.378 -0.058 -1.559) 2.844 3.489 ( -4.828 -2.691 -4.292) 6.998 3.926 ( 4.179 -11.756 9.013) 15.392 4.009 ( -3.427 -12.569 8.143) 15.364 5.300 ( 8.802 21.162 3.694) 23.215 5.449 ( -6.212 20.992 5.122) 22.483 6.077 ( 15.304 -2.592 -3.455) 15.902 6.234 ( 1.830 -4.990 -0.599) 5.348 6.389 ( 16.200 3.647 4.542) 17.216 6.707 ( -11.992 7.768 8.434) 16.592 6.929 ( 10.015 -0.401 -1.710) 10.168 7.088 ( 7.741 6.601 -14.926) 18.063 7.241 ( -9.930 -3.561 -7.339) 12.851 7.392 ( -16.718 3.583 -12.291) 21.057 7.470 ( 3.292 0.249 -13.679) 14.072 7.636 ( -10.160 0.282 -9.039) 13.601 8.059 ( 3.376 6.395 -9.666) 12.072 8.168 ( -8.030 5.462 -15.097) 17.951 8.734 ( 11.075 -0.745 1.678) 11.226 8.957 ( -8.638 1.940 4.407) 9.890 9.087 ( 4.231 5.154 -0.173) 6.671 9.266 ( -12.587 5.736 -1.261) 13.890 9.875 ( 11.684 -7.148 -4.278) 14.349 10.078 ( -8.106 -7.887 -8.100) 13.911 10.201 ( 12.441 8.607 3.426) 15.511 10.391 ( -7.157 6.109 3.139) 9.920 10.955 ( 5.464 5.781 9.299) 12.237 11.021 ( 0.041 4.804 11.097) 12.093 11.162 ( 7.164 -6.288 5.240) 10.878 11.285 ( -4.322 -8.535 6.214) 11.408 11.552 ( 7.057 -0.112 -7.641) 10.402 11.641 ( 10.719 -1.167 0.497) 10.794 11.760 ( -12.794 0.252 -4.813) 13.672 11.895 ( -13.183 -1.971 0.478) 13.338 12.298 ( 5.787 -7.579 1.199) 9.611 12.424 ( -6.548 -8.085 -2.122) 10.618 13.754 ( 3.344 5.027 -9.048) 10.878 13.812 ( -2.045 3.857 -8.744) 9.774 14.086 ( 3.846 -1.039 -3.994) 5.641 14.147 ( -2.060 -2.216 -1.675) 3.459 14.186 ( 4.640 3.366 -1.181) 5.853 14.291 ( -5.142 2.724 -2.241) 6.235 14.378 ( 0.149 0.487 1.645) 1.722 14.386 ( -0.605 1.093 1.549) 1.990 15.141 ( 3.651 -0.046 -0.457) 3.680 15.188 ( -0.355 -0.413 -2.177) 2.244 15.507 ( 6.756 -4.541 18.762) 20.452 15.654 ( -7.097 -6.142 17.994) 20.295 19.050 ( 2.855 -0.993 -10.960) 11.369 19.101 ( 9.178 -1.468 -1.868) 9.481 19.122 ( -4.516 -2.797 -11.203) 12.398 19.298 ( -9.846 -3.147 -3.808) 11.016 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 14.734 16.751) 22.309 1.969 ( 0.000 21.316 14.239) 25.635 2.548 ( 0.000 -11.309 -1.003) 11.353 2.709 ( 0.000 -5.121 1.409) 5.311 2.737 ( 0.000 -7.328 -5.348) 9.072 2.896 ( 0.000 -13.802 4.942) 14.660 3.082 ( 0.000 6.902 -4.337) 8.151 3.325 ( 0.000 0.677 -1.383) 1.540 3.548 ( 0.000 4.505 -7.711) 8.931 3.669 ( 0.000 10.440 -4.064) 11.203 3.690 ( 0.000 3.372 -19.034) 19.330 4.231 ( 0.000 -13.725 -6.208) 15.064 5.136 ( 0.000 16.265 3.304) 16.597 5.467 ( 0.000 3.742 20.644) 20.980 5.703 ( 0.000 1.458 9.042) 9.159 5.717 ( 0.000 -1.761 -2.356) 2.941 6.052 ( 0.000 0.442 -6.585) 6.599 6.128 ( 0.000 -2.977 0.819) 3.088 6.477 ( 0.000 8.709 5.723) 10.421 6.983 ( 0.000 -8.696 11.582) 14.483 7.617 ( 0.000 32.299 0.160) 32.299 7.709 ( 0.000 -4.264 9.514) 10.426 7.797 ( 0.000 -8.388 -9.967) 13.027 8.225 ( 0.000 4.877 -2.449) 5.457 8.305 ( 0.000 -3.648 -9.255) 9.948 8.672 ( 0.000 -4.264 -7.618) 8.730 8.837 ( 0.000 8.013 13.760) 15.923 8.960 ( 0.000 5.202 8.421) 9.898 9.395 ( 0.000 -5.317 2.879) 6.046 9.605 ( 0.000 -11.116 -1.694) 11.245 9.923 ( 0.000 -3.962 9.171) 9.991 9.946 ( 0.000 -7.760 13.113) 15.237 10.116 ( 0.000 4.545 -16.277) 16.900 10.265 ( 0.000 -0.841 -8.197) 8.240 10.425 ( 0.000 6.336 3.073) 7.041 10.744 ( 0.000 -5.739 -3.184) 6.563 10.894 ( 0.000 5.276 -4.999) 7.268 11.217 ( 0.000 -10.171 -6.758) 12.211 11.260 ( 0.000 8.822 7.294) 11.447 11.435 ( 0.000 3.550 -11.765) 12.289 12.231 ( 0.000 0.985 -9.772) 9.822 12.389 ( 0.000 -7.733 -6.897) 10.362 12.553 ( 0.000 1.772 -17.481) 17.570 12.750 ( 0.000 -5.837 -8.315) 10.159 13.696 ( 0.000 8.963 2.411) 9.282 13.799 ( 0.000 7.225 -1.740) 7.431 13.890 ( 0.000 1.085 5.265) 5.375 14.107 ( 0.000 -5.694 -2.097) 6.068 14.172 ( 0.000 1.790 -2.006) 2.688 14.356 ( 0.000 -2.875 -2.378) 3.731 14.356 ( 0.000 3.192 2.297) 3.932 14.402 ( 0.000 1.339 -2.151) 2.534 15.015 ( 0.000 0.363 4.850) 4.864 15.132 ( 0.000 -7.350 5.806) 9.367 15.178 ( 0.000 9.056 18.043) 20.188 15.644 ( 0.000 -11.522 13.252) 17.560 18.648 ( 0.000 5.867 9.532) 11.193 18.998 ( 0.000 -11.536 3.792) 12.143 19.342 ( 0.000 3.521 -3.348) 4.859 19.583 ( 0.000 -6.912 -3.286) 7.653 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 6.623 11.769 15.974) 20.917 2.046 ( 6.477 19.410 12.787) 24.129 2.529 ( -1.794 -10.253 0.942) 10.452 2.724 ( 0.164 -5.624 -3.857) 6.822 2.740 ( 0.983 -7.176 -2.840) 7.780 2.938 ( 3.509 -12.282 1.198) 12.830 3.023 ( -5.166 4.544 0.396) 6.891 3.297 ( -3.580 -4.512 -3.265) 6.621 3.541 ( -0.118 7.802 -7.978) 11.160 3.637 ( -1.522 6.793 -10.957) 12.982 3.720 ( 1.577 7.338 -9.511) 12.116 4.179 ( -5.278 -12.181 -5.611) 14.413 5.198 ( 6.612 15.051 3.734) 16.858 5.478 ( 0.914 0.409 17.963) 17.991 5.633 ( -1.908 7.004 8.107) 10.882 5.769 ( 2.971 4.643 1.193) 5.640 6.080 ( 2.491 -1.148 -9.301) 9.697 6.247 ( 11.072 -7.578 -0.476) 13.425 6.545 ( 6.414 7.963 7.991) 12.977 6.993 ( 0.613 -8.705 9.073) 12.589 7.511 ( -7.905 22.932 -2.562) 24.391 7.719 ( 1.392 -4.156 8.154) 9.257 7.883 ( 5.293 0.402 -6.280) 8.223 8.181 ( -3.496 7.114 -0.368) 7.936 8.292 ( -2.505 -5.506 -7.633) 9.739 8.566 ( -7.877 -1.772 -5.586) 9.818 8.845 ( 2.232 8.492 5.283) 10.247 9.047 ( 3.623 -0.565 9.221) 9.924 9.445 ( 2.887 -0.596 3.124) 4.296 9.574 ( -8.925 -5.355 -6.155) 12.092 9.779 ( -4.476 -3.828 0.020) 5.890 9.889 ( -3.714 -2.526 -2.764) 5.274 10.122 ( 0.903 1.487 -6.021) 6.267 10.266 ( 2.449 -5.137 4.577) 7.303 10.571 ( 9.169 4.586 5.832) 11.794 10.777 ( 3.931 -3.986 -1.530) 5.804 10.885 ( -0.705 5.158 -4.485) 6.871 11.197 ( -2.105 -10.246 -3.440) 11.011 11.322 ( 4.892 6.292 5.072) 9.447 11.430 ( 0.278 4.994 -9.370) 10.622 12.193 ( -3.122 0.569 -7.813) 8.433 12.378 ( -1.778 -7.298 -8.983) 11.709 12.490 ( -6.050 -0.218 -16.567) 17.638 12.652 ( -9.649 -5.999 -8.252) 14.043 13.725 ( 2.775 8.745 2.115) 9.415 13.823 ( 1.683 5.883 -3.610) 7.104 13.909 ( 2.685 3.505 4.466) 6.280 14.112 ( 0.428 -5.079 -1.420) 5.292 14.181 ( 0.877 1.914 -2.709) 3.431 14.328 ( -0.604 -0.445 0.094) 0.756 14.385 ( 0.599 1.992 -0.790) 2.225 14.438 ( 3.060 0.628 -1.674) 3.544 15.020 ( 0.268 -0.903 5.470) 5.551 15.135 ( 0.176 -2.407 6.961) 7.368 15.204 ( 2.634 2.436 16.030) 16.426 15.617 ( -2.156 -10.378 13.233) 16.955 18.678 ( 3.092 5.373 8.806) 10.769 19.022 ( 1.988 -11.569 2.214) 11.946 19.310 ( -3.179 3.602 -4.526) 6.601 19.555 ( -2.861 -6.967 -3.986) 8.521 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 8.397 8.188 11.748) 16.601 2.178 ( 7.482 10.548 12.218) 17.791 2.486 ( -2.383 -5.915 4.153) 7.610 2.689 ( -3.663 -3.163 -3.219) 5.812 2.769 ( 1.337 -7.563 -5.069) 9.203 2.901 ( -5.077 3.524 -5.403) 8.209 3.013 ( 1.997 -12.859 2.035) 13.171 3.202 ( -5.002 -8.868 -2.612) 10.511 3.534 ( -1.088 7.388 -7.624) 10.672 3.600 ( -3.307 5.319 -10.663) 12.366 3.762 ( 2.786 5.354 -2.694) 6.609 4.037 ( -8.941 -8.952 -4.087) 13.296 5.380 ( 10.975 14.221 3.582) 18.317 5.556 ( 9.407 -0.817 12.028) 15.292 5.630 ( 2.285 10.156 5.693) 11.865 5.888 ( 8.491 10.805 2.897) 14.044 6.139 ( 3.831 -1.135 -10.143) 10.901 6.500 ( 13.987 -10.165 2.347) 17.449 6.694 ( 8.484 5.952 6.901) 12.451 6.995 ( -0.083 -6.845 -0.790) 6.891 7.369 ( -6.466 18.666 -1.375) 19.802 7.728 ( -2.536 -2.954 4.377) 5.858 7.928 ( -1.077 0.106 -5.726) 5.827 8.131 ( -5.596 5.649 -2.240) 8.261 8.205 ( -1.090 -0.989 2.300) 2.730 8.434 ( -5.781 -0.082 -12.088) 13.400 8.838 ( -9.375 5.717 4.390) 11.825 9.037 ( -0.221 4.435 -9.849) 10.803 9.288 ( -8.143 -1.107 -2.184) 8.503 9.480 ( -4.695 -7.954 0.549) 9.253 9.816 ( 0.045 2.267 -0.892) 2.437 9.892 ( 7.923 2.790 -9.102) 12.385 10.135 ( -0.147 1.611 -1.314) 2.084 10.395 ( 11.141 -6.849 10.743) 16.925 10.681 ( 1.227 3.777 6.664) 7.758 10.897 ( 7.656 -1.690 3.672) 8.658 10.900 ( 3.645 2.728 -1.456) 4.780 11.148 ( -2.064 -8.802 1.313) 9.136 11.389 ( 2.490 4.506 -1.661) 5.409 11.479 ( 3.917 3.098 -0.216) 4.999 12.126 ( -3.884 -0.103 -5.663) 6.867 12.288 ( -8.315 -3.249 -8.343) 12.219 12.343 ( -10.267 -4.804 -13.313) 17.485 12.432 ( -9.999 -8.578 -9.598) 16.300 13.792 ( 3.689 8.495 -0.181) 9.263 13.849 ( 1.405 4.696 -3.559) 6.057 13.983 ( 4.009 3.301 -0.149) 5.195 14.121 ( 0.398 -3.736 -0.461) 3.785 14.199 ( 0.755 3.066 -3.992) 5.090 14.327 ( 0.389 -0.748 -1.277) 1.530 14.398 ( 0.820 2.562 0.604) 2.757 14.474 ( 0.233 0.853 -1.253) 1.533 15.024 ( 0.607 -1.363 6.735) 6.898 15.143 ( 0.845 0.576 6.210) 6.294 15.266 ( 3.418 -2.667 14.337) 14.978 15.587 ( -0.915 -9.627 12.954) 16.166 18.764 ( 5.770 3.724 6.303) 9.321 19.050 ( 0.525 -9.668 -1.270) 9.765 19.232 ( -4.560 3.192 -7.232) 9.126 19.476 ( -5.247 -6.930 -5.495) 10.283 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.608 7.207 7.274) 10.566 2.346 ( 8.274 -3.034 8.915) 12.536 2.436 ( -3.447 -2.056 6.618) 7.740 2.623 ( -1.096 -0.037 -0.284) 1.133 2.779 ( -0.530 -6.913 -4.476) 8.252 2.840 ( -1.169 2.689 -7.237) 7.808 3.022 ( -0.201 -6.536 -3.557) 7.444 3.132 ( -2.578 -9.868 -0.190) 10.201 3.495 ( -3.119 4.202 -3.242) 6.156 3.523 ( -3.580 3.827 -7.210) 8.913 3.770 ( -3.241 -2.416 0.177) 4.047 3.875 ( -6.502 -7.361 -2.040) 10.031 5.578 ( 9.489 17.002 3.733) 19.825 5.748 ( 10.430 4.626 2.740) 11.734 5.837 ( 15.080 5.113 7.282) 17.510 6.049 ( 8.658 10.933 -0.523) 13.956 6.227 ( 5.604 0.832 -5.383) 7.815 6.740 ( 10.107 -6.602 8.377) 14.694 6.868 ( 9.261 2.563 -4.608) 10.657 7.013 ( 1.800 -3.752 -8.587) 9.542 7.264 ( -3.871 11.396 -0.685) 12.055 7.583 ( -11.061 -2.918 0.067) 11.440 7.796 ( -14.758 0.893 -13.958) 20.333 7.938 ( -12.086 1.161 -14.776) 19.124 8.228 ( -0.703 9.426 -2.351) 9.740 8.423 ( 5.703 3.489 3.731) 7.656 8.578 ( -9.402 3.809 -8.936) 13.518 9.067 ( -3.954 -4.192 2.885) 6.445 9.180 ( 1.127 6.819 -3.738) 7.857 9.487 ( 3.736 -3.792 -2.646) 5.945 9.703 ( -7.194 2.876 -2.510) 8.144 10.020 ( -2.106 -7.054 -10.578) 12.888 10.199 ( 9.845 13.097 8.807) 18.602 10.593 ( 1.153 4.439 8.303) 9.486 10.693 ( 8.141 -7.988 5.279) 12.567 10.978 ( 1.717 -8.900 5.964) 10.850 11.054 ( 8.780 4.852 7.128) 12.307 11.158 ( 3.463 -2.579 3.035) 5.278 11.463 ( 5.955 3.595 -2.801) 7.499 11.533 ( 1.278 2.119 -0.070) 2.476 12.037 ( -9.957 0.335 -6.631) 11.968 12.078 ( -9.532 -4.964 -4.818) 11.778 12.101 ( -10.023 -4.235 -6.341) 12.594 12.308 ( -5.357 -12.381 -9.339) 16.407 13.844 ( 1.832 7.486 -5.196) 9.295 13.892 ( 2.551 4.551 -3.448) 6.254 14.037 ( 1.410 0.091 -3.028) 3.341 14.122 ( -0.608 -3.127 -1.367) 3.466 14.216 ( 1.582 4.864 -2.896) 5.877 14.343 ( 1.208 -0.552 -1.519) 2.017 14.407 ( -0.418 1.815 1.145) 2.187 14.448 ( -2.513 0.999 -0.240) 2.715 15.069 ( 4.309 0.624 6.232) 7.602 15.168 ( 1.609 0.764 4.127) 4.495 15.325 ( 2.761 -3.812 13.910) 14.685 15.562 ( -2.347 -10.036 13.458) 16.951 18.894 ( 7.493 1.056 2.111) 7.856 19.045 ( -0.638 -5.131 -5.644) 7.654 19.147 ( -4.066 1.490 -9.409) 10.358 19.357 ( -6.987 -6.328 -6.416) 11.402 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 2.354 2.872 5.065) 6.280 2.330 ( -4.948 0.443 3.567) 6.116 2.503 ( 6.754 -6.813 5.723) 11.170 2.608 ( -3.234 -5.899 3.866) 7.759 2.786 ( 2.451 1.433 -6.606) 7.191 2.831 ( -1.096 0.795 -6.703) 6.838 3.037 ( 1.999 -3.880 -0.887) 4.454 3.085 ( -2.505 -5.686 -0.397) 6.226 3.439 ( -1.478 3.524 -2.068) 4.345 3.460 ( -3.137 2.914 -3.408) 5.472 3.715 ( 0.237 -8.080 1.195) 8.172 3.775 ( -4.756 -8.940 0.460) 10.136 5.750 ( 8.445 18.367 4.106) 20.628 5.875 ( -2.501 16.591 7.242) 18.275 6.044 ( 11.101 -0.764 -0.892) 11.163 6.181 ( -0.662 -0.840 0.945) 1.427 6.465 ( 20.379 5.811 -0.146) 21.192 6.828 ( -13.008 4.694 0.263) 13.832 6.938 ( 9.684 -1.971 -2.855) 10.287 7.094 ( 2.143 -8.367 -7.900) 11.705 7.262 ( 2.349 7.481 -14.081) 16.117 7.397 ( -5.627 -1.884 -8.717) 10.545 7.499 ( -8.956 2.687 -18.014) 20.296 7.645 ( -15.439 -0.810 -19.811) 25.129 8.270 ( 4.442 12.782 -0.783) 13.554 8.370 ( -5.864 13.841 -2.563) 15.249 8.686 ( 12.104 -4.456 5.058) 13.855 8.907 ( -10.350 -6.379 5.775) 13.460 9.285 ( 7.224 11.697 -3.816) 14.268 9.441 ( -8.335 10.396 -2.695) 13.595 9.719 ( 8.738 -7.720 -3.964) 12.315 9.903 ( -8.755 -8.791 -5.951) 13.760 10.386 ( 8.395 9.317 8.153) 14.959 10.519 ( -5.593 6.194 8.089) 11.622 10.885 ( 7.482 -12.123 6.281) 15.569 10.968 ( -2.083 -13.608 8.197) 16.023 11.192 ( 5.496 8.663 5.946) 11.858 11.245 ( 2.394 9.138 6.826) 11.654 11.554 ( 4.336 -0.360 -5.787) 7.240 11.629 ( 9.897 -0.501 -0.349) 9.915 11.759 ( -13.234 0.704 -7.866) 15.412 11.864 ( -12.078 0.140 -4.454) 12.873 12.088 ( 3.993 -11.569 -2.218) 12.438 12.196 ( -6.249 -12.848 -4.747) 15.055 13.881 ( 2.088 6.311 -7.022) 9.669 13.913 ( -0.672 5.271 -6.549) 8.434 14.057 ( 1.392 -1.944 -3.715) 4.418 14.094 ( -2.054 -2.805 -3.159) 4.697 14.272 ( 3.947 4.284 -0.451) 5.843 14.349 ( -3.012 2.590 -0.370) 3.990 14.382 ( 0.661 -0.190 0.812) 1.064 14.410 ( -1.512 0.673 0.457) 1.717 15.160 ( 3.892 2.315 3.604) 5.788 15.192 ( 0.357 1.272 2.331) 2.679 15.386 ( 4.199 -6.333 15.116) 16.919 15.486 ( -5.283 -9.233 14.633) 18.091 19.032 ( 3.633 -0.745 -6.803) 7.748 19.052 ( 3.341 -2.393 -5.990) 7.264 19.085 ( -0.807 -0.332 -8.904) 8.947 19.212 ( -7.982 -4.766 -5.485) 10.794 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -9.747 5.520) 11.202 2.179 ( 0.000 9.747 5.520) 11.202 2.518 ( 0.000 -15.872 6.734) 17.241 2.518 ( 0.000 15.872 6.734) 17.241 2.658 ( 0.000 -0.823 -2.671) 2.795 2.658 ( 0.000 0.823 -2.671) 2.795 3.237 ( 0.000 -7.127 -3.042) 7.749 3.237 ( 0.000 7.127 -3.042) 7.749 3.680 ( 0.000 -4.527 -16.219) 16.839 3.680 ( 0.000 4.527 -16.219) 16.839 3.935 ( 0.000 -14.103 -5.773) 15.239 3.935 ( 0.000 14.103 -5.773) 15.239 5.388 ( 0.000 -8.682 12.362) 15.106 5.388 ( 0.000 8.682 12.362) 15.106 5.750 ( 0.000 -0.502 11.466) 11.477 5.750 ( 0.000 0.502 11.466) 11.477 6.066 ( 0.000 -1.767 -12.376) 12.502 6.066 ( 0.000 1.767 -12.376) 12.502 6.731 ( 0.000 -14.076 15.279) 20.775 6.731 ( 0.000 14.076 15.279) 20.775 7.678 ( 0.000 -2.256 -0.581) 2.329 7.678 ( 0.000 2.256 -0.581) 2.329 8.166 ( 0.000 -13.559 -4.807) 14.386 8.166 ( 0.000 13.559 -4.807) 14.386 8.410 ( 0.000 -15.941 -3.307) 16.280 8.410 ( 0.000 15.941 -3.307) 16.280 8.977 ( 0.000 -4.050 10.788) 11.523 8.977 ( 0.000 4.050 10.788) 11.523 9.407 ( 0.000 -6.276 -0.922) 6.344 9.407 ( 0.000 6.276 -0.922) 6.344 9.865 ( 0.000 -0.416 10.977) 10.985 9.865 ( 0.000 0.416 10.977) 10.985 10.211 ( 0.000 -4.020 -12.097) 12.748 10.211 ( 0.000 4.020 -12.097) 12.748 10.585 ( 0.000 -8.467 -0.130) 8.468 10.585 ( 0.000 8.467 -0.130) 8.468 11.023 ( 0.000 -7.560 -6.892) 10.230 11.023 ( 0.000 7.560 -6.892) 10.230 11.422 ( 0.000 -5.252 0.932) 5.334 11.422 ( 0.000 5.252 0.932) 5.334 12.271 ( 0.000 -3.367 -9.205) 9.801 12.271 ( 0.000 3.367 -9.205) 9.801 12.625 ( 0.000 -5.200 -13.162) 14.152 12.625 ( 0.000 5.200 -13.162) 14.152 13.848 ( 0.000 -4.550 1.175) 4.699 13.848 ( 0.000 4.550 1.175) 4.699 13.973 ( 0.000 -7.188 -0.574) 7.211 13.973 ( 0.000 7.188 -0.574) 7.211 14.255 ( 0.000 -5.748 -2.278) 6.183 14.255 ( 0.000 5.748 -2.278) 6.183 14.406 ( 0.000 -1.227 -0.186) 1.241 14.406 ( 0.000 1.227 -0.186) 1.241 15.028 ( 0.000 -2.133 4.642) 5.109 15.028 ( 0.000 2.133 4.642) 5.109 15.397 ( 0.000 -11.602 18.354) 21.713 15.397 ( 0.000 11.602 18.354) 21.713 18.794 ( 0.000 -8.183 5.575) 9.902 18.794 ( 0.000 8.183 5.575) 9.902 19.443 ( 0.000 -6.031 -3.572) 7.009 19.443 ( 0.000 6.031 -3.572) 7.009 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 1.522 -9.264 6.178) 11.239 2.194 ( 1.522 9.264 6.178) 11.239 2.557 ( 3.027 -15.060 5.817) 16.426 2.557 ( 3.027 15.060 5.817) 16.426 2.678 ( 2.071 -3.075 -1.910) 4.170 2.678 ( 2.071 3.075 -1.910) 4.170 3.165 ( -6.653 -7.394 -3.067) 10.409 3.165 ( -6.653 7.394 -3.067) 10.409 3.677 ( -0.468 -3.057 -15.973) 16.269 3.677 ( -0.468 3.057 -15.973) 16.269 3.923 ( -1.415 -11.753 -5.394) 13.009 3.923 ( -1.415 11.753 -5.394) 13.009 5.399 ( 2.116 -6.245 12.113) 13.791 5.399 ( 2.116 6.245 12.113) 13.791 5.813 ( 5.395 -4.656 7.869) 10.616 5.813 ( 5.395 4.656 7.869) 10.616 6.103 ( 4.630 -4.791 -9.096) 11.275 6.103 ( 4.630 4.791 -9.096) 11.275 6.764 ( 3.157 -12.193 13.186) 18.234 6.764 ( 3.157 12.193 13.186) 18.234 7.665 ( -1.233 -0.851 -0.005) 1.498 7.665 ( -1.233 0.851 -0.005) 1.498 8.126 ( -4.215 -11.771 -4.788) 13.388 8.126 ( -4.215 11.771 -4.788) 13.388 8.402 ( -0.747 -13.185 -3.264) 13.603 8.402 ( -0.747 13.185 -3.264) 13.603 8.983 ( 1.236 -4.997 8.567) 9.995 8.983 ( 1.236 4.997 8.567) 9.995 9.452 ( -0.774 -3.841 -0.747) 3.989 9.452 ( -0.774 3.841 -0.747) 3.989 9.815 ( -0.902 -4.461 -2.564) 5.224 9.815 ( -0.902 4.461 -2.564) 5.224 10.178 ( -1.155 -3.538 -1.681) 4.084 10.178 ( -1.155 3.538 -1.681) 4.084 10.669 ( 6.792 -5.159 2.677) 8.939 10.669 ( 6.792 5.159 2.677) 8.939 11.011 ( -1.204 -7.248 -5.238) 9.024 11.011 ( -1.204 7.248 -5.238) 9.024 11.444 ( 1.940 -3.816 1.091) 4.418 11.444 ( 1.940 3.816 1.091) 4.418 12.246 ( -2.482 -4.660 -9.690) 11.035 12.246 ( -2.482 4.660 -9.690) 11.035 12.534 ( -8.868 -4.332 -12.593) 16.000 12.534 ( -8.868 4.332 -12.593) 16.000 13.870 ( 2.083 -3.642 0.030) 4.196 13.870 ( 2.083 3.642 0.030) 4.196 13.990 ( 1.638 -5.915 -0.242) 6.142 13.990 ( 1.638 5.915 -0.242) 6.142 14.266 ( 0.884 -4.978 -2.484) 5.633 14.266 ( 0.884 4.978 -2.484) 5.633 14.429 ( 1.942 -1.625 -0.661) 2.617 14.429 ( 1.942 1.625 -0.661) 2.617 15.029 ( 0.220 -2.839 5.369) 6.078 15.029 ( 0.220 2.839 5.369) 6.078 15.390 ( -0.575 -10.802 17.466) 20.544 15.390 ( -0.575 10.802 17.466) 20.544 18.817 ( 2.282 -8.096 4.774) 9.672 18.817 ( 2.282 8.096 4.774) 9.672 19.413 ( -3.002 -6.147 -4.481) 8.178 19.413 ( -3.002 6.147 -4.481) 8.178 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.623 -4.878 6.729) 8.715 2.235 ( 2.623 4.878 6.729) 8.715 2.589 ( -0.667 -10.051 6.554) 12.017 2.589 ( -0.667 10.051 6.554) 12.017 2.736 ( 3.887 -8.224 -1.530) 9.224 2.736 ( 3.887 8.224 -1.530) 9.224 3.026 ( -6.600 -7.706 -4.060) 10.929 3.026 ( -6.600 7.706 -4.060) 10.929 3.646 ( -3.067 -1.859 -13.157) 13.637 3.646 ( -3.067 1.859 -13.157) 13.637 3.872 ( -4.100 -6.406 -4.499) 8.836 3.872 ( -4.100 6.406 -4.499) 8.836 5.505 ( 9.240 -2.988 9.048) 13.273 5.505 ( 9.240 2.988 9.048) 13.273 5.921 ( 6.004 -9.546 1.018) 11.323 5.921 ( 6.004 9.546 1.018) 11.323 6.261 ( 10.984 -11.994 -1.690) 16.351 6.261 ( 10.984 11.994 -1.690) 16.351 6.839 ( 4.346 -7.683 5.960) 10.650 6.839 ( 4.346 7.683 5.960) 10.650 7.621 ( -4.285 -7.170 1.142) 8.431 7.621 ( -4.285 7.170 1.142) 8.431 8.020 ( -5.971 -7.273 -6.288) 11.317 8.020 ( -5.971 7.273 -6.288) 11.317 8.383 ( -1.264 -7.065 -3.763) 8.104 8.383 ( -1.264 7.065 -3.763) 8.104 8.985 ( -4.045 -7.743 5.991) 10.593 8.985 ( -4.045 7.743 5.991) 10.593 9.324 ( -5.465 -4.718 -8.118) 10.864 9.324 ( -5.465 4.718 -8.118) 10.864 9.881 ( 2.544 -3.539 -9.873) 10.793 9.881 ( 2.544 3.539 -9.873) 10.793 10.239 ( 8.801 -7.382 9.274) 14.764 10.239 ( 8.801 7.382 9.274) 14.764 10.779 ( 2.736 -5.561 7.579) 9.790 10.779 ( 2.736 5.561 7.579) 9.790 11.005 ( 2.385 -5.314 -2.720) 6.428 11.005 ( 2.385 5.314 -2.720) 6.428 11.485 ( 2.333 -3.328 1.988) 4.525 11.485 ( 2.333 3.328 1.988) 4.525 12.181 ( -4.229 -5.630 -9.654) 11.949 12.181 ( -4.229 5.630 -9.654) 11.949 12.313 ( -13.314 -1.964 -11.395) 17.634 12.313 ( -13.314 1.964 -11.395) 17.634 13.915 ( 2.294 -1.104 -2.547) 3.601 13.915 ( 2.294 1.104 -2.547) 3.601 14.025 ( 1.683 -3.983 -0.015) 4.324 14.025 ( 1.683 3.983 -0.015) 4.324 14.283 ( 0.941 -3.639 -2.824) 4.702 14.283 ( 0.941 3.639 -2.824) 4.702 14.457 ( 0.513 -2.436 -0.818) 2.620 14.457 ( 0.513 2.436 -0.818) 2.620 15.050 ( 2.283 -4.340 6.618) 8.237 15.050 ( 2.283 4.340 6.618) 8.237 15.382 ( -0.280 -9.274 15.164) 17.777 15.382 ( -0.280 9.274 15.164) 17.777 18.873 ( 3.323 -6.836 2.327) 7.949 18.873 ( 3.323 6.836 2.327) 7.949 19.334 ( -5.015 -6.192 -6.556) 10.319 19.334 ( -5.015 6.192 -6.556) 10.319 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 3.317 -1.574 6.199) 7.205 2.293 ( 3.317 1.574 6.199) 7.205 2.526 ( -5.033 -7.589 7.517) 11.808 2.526 ( -5.033 7.589 7.517) 11.808 2.822 ( 4.653 -9.437 -1.336) 10.606 2.822 ( 4.653 9.437 -1.336) 10.606 2.941 ( -2.234 -6.640 -4.581) 8.371 2.941 ( -2.234 6.640 -4.581) 8.371 3.570 ( -3.999 -1.805 -8.018) 9.140 3.570 ( -3.999 1.805 -8.018) 9.140 3.763 ( -7.019 -2.913 -3.375) 8.315 3.763 ( -7.019 2.913 -3.375) 8.315 5.735 ( 13.612 -3.264 4.105) 14.587 5.735 ( 13.612 3.264 4.105) 14.587 6.055 ( 7.237 -8.774 1.730) 11.504 6.055 ( 7.237 8.774 1.730) 11.504 6.475 ( 10.623 -17.083 0.687) 20.129 6.475 ( 10.623 17.083 0.687) 20.129 6.933 ( 5.452 -3.301 -5.567) 8.463 6.933 ( 5.452 3.301 -5.567) 8.463 7.474 ( -10.115 -7.719 0.610) 12.739 7.474 ( -10.115 7.719 0.610) 12.739 7.872 ( -11.621 -5.415 -17.234) 21.480 7.872 ( -11.621 5.415 -17.234) 21.480 8.389 ( 3.695 -5.543 0.404) 6.674 8.389 ( 3.695 5.543 0.404) 6.674 8.833 ( -8.308 -15.348 3.765) 17.854 8.833 ( -8.308 15.348 3.765) 17.854 9.356 ( 6.319 -7.795 -5.141) 11.274 9.356 ( 6.319 7.795 -5.141) 11.274 9.846 ( -5.305 -9.139 -6.853) 12.594 9.846 ( -5.305 9.139 -6.853) 12.594 10.457 ( 11.018 -11.221 8.432) 17.844 10.457 ( 11.018 11.221 8.432) 17.844 10.755 ( -3.507 -8.705 9.401) 13.284 10.755 ( -3.507 8.705 9.401) 13.284 11.134 ( 9.996 -2.101 0.664) 10.236 11.134 ( 9.996 2.101 0.664) 10.236 11.543 ( 3.641 -3.109 2.761) 5.527 11.543 ( 3.641 3.109 2.761) 5.527 12.038 ( -12.840 -1.729 -9.522) 16.078 12.038 ( -12.840 1.729 -9.522) 16.078 12.091 ( -6.908 -4.664 -8.659) 12.019 12.091 ( -6.908 4.664 -8.659) 12.019 13.953 ( 1.704 -1.604 -4.736) 5.282 13.953 ( 1.704 1.604 -4.736) 5.282 14.044 ( 0.063 -3.223 -1.730) 3.659 14.044 ( 0.063 3.223 -1.730) 3.659 14.306 ( 1.603 -3.173 -1.789) 3.979 14.306 ( 1.603 3.173 -1.789) 3.979 14.444 ( -1.685 -1.323 -0.089) 2.144 14.444 ( -1.685 1.323 -0.089) 2.144 15.120 ( 4.878 -3.943 7.369) 9.677 15.120 ( 4.878 3.943 7.369) 9.677 15.369 ( -1.413 -7.246 12.470) 14.491 15.369 ( -1.413 7.246 12.470) 14.491 18.942 ( 3.850 -3.735 -1.483) 5.565 18.942 ( 3.850 3.735 -1.483) 5.565 19.228 ( -5.720 -5.481 -8.216) 11.413 19.228 ( -5.720 5.481 -8.216) 11.413 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 3.428 -6.314 5.859) 9.271 2.358 ( 3.428 6.314 5.859) 9.271 2.431 ( -4.386 -8.339 6.605) 11.507 2.431 ( -4.386 8.339 6.605) 11.507 2.893 ( 2.452 -7.206 -1.281) 7.719 2.893 ( 2.452 7.206 -1.281) 7.719 2.920 ( -0.636 -5.963 -3.684) 7.038 2.920 ( -0.636 5.963 -3.684) 7.038 3.536 ( 1.360 -3.605 -4.038) 5.581 3.536 ( 1.360 3.605 -4.038) 5.581 3.622 ( -6.833 -4.467 -2.851) 8.647 3.622 ( -6.833 4.467 -2.851) 8.647 5.983 ( 11.103 -4.828 3.781) 12.684 5.983 ( 11.103 4.828 3.781) 12.684 6.122 ( -2.128 -6.150 5.626) 8.602 6.122 ( -2.128 6.150 5.626) 8.602 6.705 ( 14.427 -14.953 -3.944) 21.148 6.705 ( 14.427 14.953 -3.944) 21.148 6.960 ( -7.433 -5.922 -6.766) 11.666 6.960 ( -7.433 5.922 -6.766) 11.666 7.360 ( 3.558 -2.300 -11.251) 12.022 7.360 ( 3.558 2.300 -11.251) 12.022 7.582 ( -15.982 -4.583 -21.810) 27.425 7.582 ( -15.982 4.583 -21.810) 27.425 8.526 ( 9.034 -10.458 4.732) 14.607 8.526 ( 9.034 10.458 4.732) 14.607 8.690 ( -7.544 -14.088 5.024) 16.752 8.690 ( -7.544 14.088 5.024) 16.752 9.513 ( 9.521 -8.956 -3.755) 13.600 9.513 ( 9.521 8.956 -3.755) 13.600 9.701 ( -9.317 -10.182 -4.637) 14.560 9.701 ( -9.317 10.182 -4.637) 14.560 10.612 ( 5.240 -12.424 8.652) 16.021 10.612 ( 5.240 12.424 8.652) 16.021 10.687 ( -3.366 -11.056 9.686) 15.079 10.687 ( -3.366 11.056 9.686) 15.079 11.360 ( 12.768 -3.797 1.360) 13.390 11.360 ( 12.768 3.797 1.360) 13.390 11.564 ( -5.183 -4.336 2.716) 7.283 11.564 ( -5.183 4.336 2.716) 7.283 11.861 ( -1.548 -8.663 -8.522) 12.250 11.861 ( -1.548 8.663 -8.522) 12.250 11.952 ( -7.460 -8.412 -6.773) 13.126 11.952 ( -7.460 8.412 -6.773) 13.126 13.987 ( 1.962 -2.683 -5.398) 6.340 13.987 ( 1.962 2.683 -5.398) 6.340 14.026 ( -1.804 -2.960 -4.366) 5.575 14.026 ( -1.804 2.960 -4.366) 5.575 14.348 ( 2.650 -2.636 -0.069) 3.738 14.348 ( 2.650 2.636 -0.069) 3.738 14.401 ( -2.660 -1.514 0.422) 3.090 14.401 ( -2.660 1.514 0.422) 3.090 15.224 ( 5.532 -1.938 8.333) 10.188 15.224 ( 5.532 1.938 8.333) 10.188 15.318 ( -3.912 -4.226 10.089) 11.617 15.318 ( -3.912 4.226 10.089) 11.617 19.023 ( 4.629 -0.359 -5.458) 7.166 19.023 ( 4.629 0.359 -5.458) 7.166 19.120 ( -5.431 -3.486 -7.989) 10.269 19.120 ( -5.431 3.486 -7.989) 10.269 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 0.000 24.862) 24.862 2.004 ( 0.000 0.000 24.800) 24.800 2.563 ( 0.000 0.000 -11.567) 11.567 2.833 ( 0.000 0.000 -3.298) 3.298 2.953 ( 0.000 0.000 -6.780) 6.780 3.070 ( 0.000 0.000 -11.756) 11.756 3.119 ( 0.000 0.000 -13.189) 13.189 3.175 ( 0.000 0.000 -9.636) 9.636 3.238 ( 0.000 0.000 6.131) 6.131 3.514 ( 0.000 0.000 10.299) 10.299 3.627 ( 0.000 0.000 14.867) 14.867 4.493 ( 0.000 0.000 -7.322) 7.322 4.668 ( 0.000 0.000 7.856) 7.856 5.233 ( 0.000 0.000 -3.219) 3.219 5.728 ( 0.000 0.000 -9.382) 9.382 5.870 ( 0.000 0.000 -16.890) 16.890 6.195 ( 0.000 0.000 16.200) 16.200 6.289 ( 0.000 0.000 16.829) 16.829 6.451 ( 0.000 0.000 20.217) 20.217 6.739 ( 0.000 0.000 0.635) 0.635 7.366 ( 0.000 0.000 12.797) 12.797 7.609 ( 0.000 0.000 -24.320) 24.320 7.933 ( 0.000 0.000 -1.694) 1.694 8.089 ( 0.000 0.000 -9.126) 9.126 8.397 ( 0.000 0.000 -9.358) 9.358 8.545 ( 0.000 0.000 26.383) 26.383 8.664 ( 0.000 0.000 -10.542) 10.542 8.805 ( 0.000 0.000 5.985) 5.985 9.642 ( 0.000 0.000 -10.391) 10.391 9.749 ( 0.000 0.000 -13.809) 13.809 9.932 ( 0.000 0.000 -0.819) 0.819 10.000 ( 0.000 0.000 -11.063) 11.063 10.089 ( 0.000 0.000 4.567) 4.567 10.349 ( 0.000 0.000 2.390) 2.390 10.561 ( 0.000 0.000 9.651) 9.651 10.602 ( 0.000 0.000 -1.516) 1.516 10.733 ( 0.000 0.000 -0.968) 0.968 11.023 ( 0.000 0.000 -6.784) 6.784 11.292 ( 0.000 0.000 19.645) 19.645 11.441 ( 0.000 0.000 -1.335) 1.335 12.108 ( 0.000 0.000 -0.694) 0.694 12.164 ( 0.000 0.000 -17.904) 17.904 12.442 ( 0.000 0.000 -12.523) 12.523 12.638 ( 0.000 0.000 -11.253) 11.253 13.528 ( 0.000 0.000 4.662) 4.662 13.665 ( 0.000 0.000 -1.031) 1.031 13.944 ( 0.000 0.000 3.847) 3.847 14.121 ( 0.000 0.000 -1.732) 1.732 14.185 ( 0.000 0.000 -5.536) 5.536 14.240 ( 0.000 0.000 -3.049) 3.049 14.298 ( 0.000 0.000 1.918) 1.918 14.383 ( 0.000 0.000 -0.753) 0.753 15.119 ( 0.000 0.000 8.253) 8.253 15.378 ( 0.000 0.000 19.859) 19.859 15.416 ( 0.000 0.000 0.257) 0.257 15.987 ( 0.000 0.000 0.780) 0.780 18.869 ( 0.000 0.000 18.168) 18.168 19.235 ( 0.000 0.000 -1.611) 1.611 19.348 ( 0.000 0.000 -4.314) 4.314 19.670 ( 0.000 0.000 -6.532) 6.532 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 3.676 0.000 21.731) 22.040 2.071 ( 6.550 0.000 21.629) 22.599 2.570 ( 0.535 0.000 -11.103) 11.116 2.786 ( -5.054 0.000 -5.712) 7.627 2.949 ( -1.949 0.000 -6.257) 6.554 3.084 ( 1.757 0.000 -8.032) 8.221 3.144 ( -3.303 0.000 -9.138) 9.717 3.149 ( 2.276 0.000 -11.567) 11.788 3.263 ( 3.438 0.000 2.119) 4.039 3.463 ( -5.045 0.000 4.056) 6.474 3.692 ( 8.348 0.000 21.580) 23.139 4.435 ( -5.656 0.000 -6.195) 8.389 4.721 ( 5.072 0.000 7.346) 8.927 5.271 ( 3.381 0.000 -3.289) 4.717 5.736 ( 0.875 0.000 -2.089) 2.265 5.918 ( 4.083 0.000 -11.069) 11.798 6.052 ( -7.088 0.000 17.527) 18.906 6.454 ( 9.562 0.000 13.632) 16.651 6.469 ( 3.341 0.000 6.749) 7.531 6.730 ( -0.486 0.000 0.472) 0.678 7.411 ( 2.490 0.000 11.414) 11.682 7.616 ( 0.638 0.000 -22.536) 22.545 7.894 ( -3.586 0.000 -0.587) 3.634 8.148 ( 5.968 0.000 -8.610) 10.476 8.246 ( -18.383 0.000 12.186) 22.055 8.349 ( -6.550 0.000 -14.205) 15.642 8.635 ( -1.406 0.000 -3.786) 4.038 8.960 ( -8.575 0.000 0.903) 8.623 9.435 ( -3.206 0.000 -1.530) 3.552 9.633 ( -1.983 0.000 -8.761) 8.982 9.773 ( -10.970 0.000 6.428) 12.715 10.102 ( -3.011 0.000 -3.900) 4.927 10.126 ( -12.278 0.000 0.338) 12.283 10.318 ( 15.200 0.000 -9.633) 17.995 10.606 ( 1.969 0.000 2.504) 3.185 10.764 ( 9.179 0.000 10.255) 13.763 10.810 ( 6.970 0.000 1.550) 7.140 11.048 ( 5.177 0.000 -8.253) 9.743 11.336 ( 4.629 0.000 15.658) 16.328 11.480 ( 3.464 0.000 1.906) 3.954 12.096 ( -1.390 0.000 -2.166) 2.574 12.199 ( 3.561 0.000 -17.248) 17.611 12.396 ( -4.523 0.000 -11.212) 12.089 12.578 ( -6.148 0.000 -11.142) 12.726 13.533 ( 0.074 0.000 2.418) 2.419 13.661 ( -0.154 0.000 -1.264) 1.273 13.889 ( -3.193 0.000 6.369) 7.125 14.122 ( -0.165 0.000 -2.151) 2.157 14.170 ( -0.783 0.000 -3.370) 3.459 14.287 ( 3.267 0.000 -3.768) 4.987 14.322 ( 2.104 0.000 1.133) 2.390 14.388 ( 0.504 0.000 -0.647) 0.820 15.140 ( 1.342 0.000 6.221) 6.364 15.316 ( -3.877 0.000 9.079) 9.872 15.515 ( 6.519 0.000 9.103) 11.197 15.977 ( 0.108 0.000 3.198) 3.200 18.888 ( 1.891 0.000 16.653) 16.760 19.170 ( -6.409 0.000 -2.418) 6.850 19.325 ( -2.748 0.000 -5.983) 6.584 19.635 ( -3.543 0.000 -6.626) 7.514 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 5.938 0.000 13.983) 15.191 2.217 ( 7.035 0.000 12.387) 14.245 2.570 ( -0.786 0.000 -9.670) 9.702 2.646 ( -8.949 0.000 -8.077) 12.054 2.869 ( -5.305 0.000 -3.140) 6.164 3.058 ( -4.464 0.000 -5.278) 6.913 3.133 ( -4.529 0.000 -4.215) 6.187 3.141 ( 3.602 0.000 -2.637) 4.464 3.351 ( 4.236 0.000 -3.554) 5.530 3.398 ( -1.298 0.000 -2.581) 2.889 3.956 ( 18.087 0.000 18.784) 26.077 4.311 ( -5.752 0.000 -1.847) 6.041 4.839 ( 6.508 0.000 5.934) 8.807 5.330 ( 1.838 0.000 -3.346) 3.818 5.742 ( -0.280 0.000 11.746) 11.749 5.990 ( 1.325 0.000 15.159) 15.217 6.035 ( 8.898 0.000 -7.614) 11.711 6.599 ( 5.334 0.000 7.260) 9.009 6.618 ( 11.982 0.000 -11.122) 16.349 6.745 ( 2.348 0.000 3.023) 3.828 7.365 ( -8.308 0.000 6.055) 10.280 7.622 ( -0.741 0.000 -17.041) 17.057 7.823 ( -3.694 0.000 1.076) 3.847 7.943 ( -12.687 0.000 0.482) 12.696 8.075 ( -20.721 0.000 -15.761) 26.034 8.318 ( 10.399 0.000 -4.909) 11.499 8.444 ( -32.944 0.000 -17.518) 37.312 8.672 ( 5.126 0.000 1.215) 5.268 9.557 ( -3.838 0.000 -1.519) 4.128 9.582 ( -10.029 0.000 4.227) 10.884 9.676 ( 16.974 0.000 14.546) 22.354 9.919 ( -14.340 0.000 -4.756) 15.108 9.997 ( -1.801 0.000 -6.596) 6.838 10.454 ( 0.724 0.000 -7.053) 7.090 10.738 ( 10.339 0.000 5.411) 11.669 10.899 ( 7.633 0.000 5.179) 9.224 10.965 ( 8.574 0.000 7.973) 11.708 11.195 ( 6.900 0.000 -7.822) 10.430 11.458 ( 7.348 0.000 9.356) 11.897 11.551 ( 3.421 0.000 6.671) 7.497 12.064 ( -2.176 0.000 -2.278) 3.150 12.271 ( 2.490 0.000 -13.285) 13.516 12.283 ( -6.800 0.000 -7.873) 10.403 12.431 ( -6.962 0.000 -11.580) 13.511 13.515 ( -1.769 0.000 -2.187) 2.812 13.663 ( -0.053 0.000 -3.528) 3.529 13.879 ( 2.286 0.000 7.544) 7.882 14.105 ( -1.026 0.000 -1.572) 1.877 14.180 ( 1.504 0.000 -0.687) 1.654 14.337 ( 1.753 0.000 -2.772) 3.280 14.367 ( 2.414 0.000 1.092) 2.650 14.400 ( 0.585 0.000 -0.137) 0.601 15.147 ( -0.626 0.000 2.206) 2.293 15.211 ( -7.116 0.000 2.339) 7.490 15.641 ( 6.723 0.000 13.052) 14.682 16.027 ( 4.683 0.000 7.165) 8.560 18.941 ( 3.554 0.000 12.473) 12.969 19.009 ( -9.512 0.000 -4.954) 10.725 19.231 ( -7.011 0.000 -9.238) 11.597 19.540 ( -6.188 0.000 -6.652) 9.085 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 8.625 0.000 4.304) 9.639 2.282 ( -0.664 0.000 -0.855) 1.083 2.465 ( -9.398 0.000 -8.883) 12.931 2.539 ( -2.153 0.000 -9.735) 9.971 2.783 ( -3.200 0.000 -0.427) 3.229 3.006 ( -8.289 0.000 0.914) 8.339 3.031 ( 2.759 0.000 3.356) 4.345 3.204 ( 2.342 0.000 1.121) 2.597 3.370 ( -1.184 0.000 -1.510) 1.918 3.400 ( 0.065 0.000 -9.948) 9.948 4.241 ( 4.726 0.000 9.602) 10.702 4.325 ( 11.851 0.000 11.077) 16.221 4.959 ( 6.080 0.000 3.757) 7.147 5.316 ( -3.456 0.000 -2.818) 4.460 5.778 ( 6.208 0.000 7.466) 9.710 6.115 ( 11.538 0.000 9.335) 14.841 6.251 ( 12.314 0.000 -1.996) 12.475 6.687 ( 4.491 0.000 -0.281) 4.500 6.793 ( 1.646 0.000 7.155) 7.342 6.894 ( 14.908 0.000 -16.629) 22.333 7.127 ( -14.586 0.000 -2.700) 14.834 7.496 ( -17.182 0.000 -7.514) 18.753 7.589 ( -25.785 0.000 -10.959) 28.017 7.735 ( -7.558 0.000 1.343) 7.677 7.767 ( -4.909 0.000 -14.127) 14.956 7.913 ( -17.151 0.000 -17.174) 24.271 8.539 ( 12.054 0.000 0.536) 12.066 8.803 ( 7.990 0.000 0.944) 8.046 9.383 ( -10.419 0.000 7.149) 12.636 9.459 ( -11.588 0.000 -1.719) 11.715 9.694 ( -2.121 0.000 -5.932) 6.300 9.973 ( 13.507 0.000 11.808) 17.940 9.988 ( -0.931 0.000 -12.097) 12.132 10.427 ( -3.007 0.000 -2.677) 4.026 10.925 ( 8.623 0.000 7.038) 11.131 11.073 ( 9.813 0.000 1.110) 9.875 11.119 ( 6.368 0.000 7.582) 9.902 11.281 ( 2.792 0.000 -8.211) 8.672 11.594 ( 0.834 0.000 8.368) 8.410 11.604 ( 8.097 0.000 8.322) 11.611 11.953 ( -10.246 0.000 -0.408) 10.254 12.143 ( -7.741 0.000 -2.980) 8.295 12.281 ( 1.838 0.000 -4.167) 4.555 12.401 ( 1.484 0.000 -13.390) 13.472 13.485 ( -0.827 0.000 -6.010) 6.067 13.635 ( -3.028 0.000 -8.149) 8.693 13.961 ( 5.807 0.000 6.358) 8.611 14.109 ( 1.665 0.000 1.071) 1.979 14.208 ( 0.934 0.000 -0.186) 0.952 14.338 ( -2.372 0.000 0.241) 2.384 14.407 ( 1.346 0.000 1.768) 2.222 14.411 ( 0.778 0.000 1.260) 1.481 15.083 ( -4.809 0.000 -3.288) 5.825 15.123 ( -1.767 0.000 -2.841) 3.346 15.782 ( 8.055 0.000 16.752) 18.587 16.106 ( 2.246 0.000 11.150) 11.374 18.844 ( -6.609 0.000 -9.027) 11.187 19.023 ( 4.997 0.000 6.701) 8.359 19.065 ( -9.773 0.000 -12.218) 15.645 19.407 ( -7.412 0.000 -5.900) 9.474 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.408 0.000 -7.476) 7.487 2.307 ( -6.196 0.000 -9.140) 11.042 2.375 ( 8.609 0.000 -6.387) 10.720 2.492 ( -3.358 0.000 -12.024) 12.484 2.753 ( 0.594 0.000 4.302) 4.343 2.836 ( -7.981 0.000 5.175) 9.512 3.131 ( 5.894 0.000 6.153) 8.520 3.211 ( -1.907 0.000 4.202) 4.614 3.358 ( 0.287 0.000 -4.464) 4.473 3.379 ( -1.571 0.000 -7.877) 8.032 4.353 ( 7.123 0.000 12.812) 14.659 4.450 ( -0.750 0.000 14.869) 14.888 5.080 ( 6.664 0.000 1.100) 6.755 5.212 ( -6.682 0.000 -1.255) 6.799 6.038 ( 20.069 0.000 -3.621) 20.393 6.381 ( -6.478 0.000 1.295) 6.607 6.413 ( 18.441 0.000 3.687) 18.806 6.706 ( -7.155 0.000 1.703) 7.355 6.835 ( 5.601 0.000 1.687) 5.849 6.862 ( -2.392 0.000 -13.142) 13.358 7.047 ( -12.566 0.000 -14.710) 19.346 7.062 ( -20.364 0.000 -8.250) 21.971 7.309 ( 8.820 0.000 -0.713) 8.849 7.550 ( -11.888 0.000 -3.548) 12.406 7.731 ( -0.111 0.000 -15.139) 15.140 7.755 ( -3.128 0.000 -13.685) 14.038 8.779 ( 12.973 0.000 3.594) 13.461 8.947 ( 3.239 0.000 0.926) 3.368 9.153 ( -9.747 0.000 6.742) 11.851 9.223 ( -9.793 0.000 2.994) 10.240 9.787 ( 7.824 0.000 -11.317) 13.758 9.926 ( -5.686 0.000 -13.906) 15.024 10.194 ( 9.512 0.000 6.541) 11.544 10.341 ( -5.934 0.000 1.500) 6.121 11.073 ( 6.674 0.000 7.395) 9.962 11.164 ( -1.921 0.000 6.395) 6.678 11.247 ( 7.287 0.000 -2.316) 7.646 11.317 ( 0.170 0.000 -6.756) 6.758 11.607 ( 2.257 0.000 7.564) 7.894 11.735 ( -10.480 0.000 3.590) 11.078 11.784 ( 10.410 0.000 7.245) 12.683 11.980 ( -9.441 0.000 2.729) 9.827 12.352 ( 4.198 0.000 -4.385) 6.071 12.408 ( -1.279 0.000 -8.245) 8.343 13.496 ( 2.083 0.000 -8.930) 9.169 13.560 ( -4.170 0.000 -10.070) 10.899 14.091 ( 7.548 0.000 4.993) 9.050 14.158 ( 2.939 0.000 1.311) 3.218 14.204 ( -1.449 0.000 0.294) 1.478 14.240 ( -7.245 0.000 3.404) 8.005 14.421 ( 0.580 0.000 2.452) 2.520 14.426 ( 0.230 0.000 2.637) 2.647 15.048 ( 0.767 0.000 -7.168) 7.209 15.083 ( -2.260 0.000 -6.767) 7.134 15.947 ( 8.621 0.000 18.025) 19.981 16.084 ( -4.675 0.000 15.650) 16.333 18.789 ( 1.260 0.000 -12.822) 12.884 18.885 ( -8.052 0.000 -13.873) 16.040 19.132 ( 6.304 0.000 0.894) 6.367 19.264 ( -7.282 0.000 -3.511) 8.084 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 8.714 21.587) 23.279 2.073 ( 0.000 5.889 19.890) 20.743 2.521 ( 0.000 -2.809 -11.376) 11.718 2.810 ( 0.000 -3.973 -3.010) 4.985 2.925 ( 0.000 -7.302 -8.789) 11.426 3.016 ( 0.000 -2.013 0.341) 2.042 3.063 ( 0.000 -3.463 -5.567) 6.556 3.164 ( 0.000 2.329 -5.091) 5.599 3.290 ( 0.000 3.273 -6.746) 7.498 3.494 ( 0.000 -3.336 -3.613) 4.918 3.582 ( 0.000 -2.787 13.050) 13.344 4.351 ( 0.000 -11.478 -8.354) 14.196 4.839 ( 0.000 14.994 7.294) 16.674 5.392 ( 0.000 12.408 -3.231) 12.822 5.711 ( 0.000 -1.810 -7.553) 7.767 5.823 ( 0.000 -2.393 -9.667) 9.958 6.186 ( 0.000 -0.530 17.372) 17.381 6.309 ( 0.000 -0.068 18.373) 18.374 6.535 ( 0.000 9.087 20.247) 22.193 6.978 ( 0.000 21.148 -0.236) 21.149 7.354 ( 0.000 -0.804 12.989) 13.014 7.587 ( 0.000 -1.921 -21.471) 21.556 7.937 ( 0.000 -0.025 0.020) 0.032 8.120 ( 0.000 1.913 -9.678) 9.865 8.398 ( 0.000 -9.374 14.793) 17.513 8.413 ( 0.000 1.672 -10.874) 11.001 8.788 ( 0.000 7.286 -4.511) 8.570 8.913 ( 0.000 8.784 4.872) 10.045 9.620 ( 0.000 -2.934 -9.419) 9.866 9.700 ( 0.000 -14.140 -0.628) 14.154 9.790 ( 0.000 4.050 -9.185) 10.038 10.080 ( 0.000 -0.273 3.774) 3.784 10.084 ( 0.000 2.127 -9.944) 10.169 10.289 ( 0.000 -5.396 3.327) 6.340 10.488 ( 0.000 -5.427 7.464) 9.228 10.694 ( 0.000 4.868 -1.379) 5.060 10.767 ( 0.000 2.726 -1.207) 2.981 11.038 ( 0.000 2.931 -10.412) 10.817 11.351 ( 0.000 -8.055 0.015) 8.055 11.360 ( 0.000 5.376 17.866) 18.657 12.106 ( 0.000 -0.423 -1.887) 1.934 12.171 ( 0.000 1.237 -16.305) 16.352 12.380 ( 0.000 -4.928 -10.390) 11.499 12.645 ( 0.000 -0.697 -11.138) 11.160 13.590 ( 0.000 5.566 3.569) 6.612 13.688 ( 0.000 2.298 -0.585) 2.372 13.965 ( 0.000 2.211 5.207) 5.657 14.122 ( 0.000 -0.191 -1.814) 1.824 14.144 ( 0.000 -3.073 -3.863) 4.936 14.282 ( 0.000 3.064 -3.304) 4.506 14.327 ( 0.000 2.476 1.011) 2.674 14.375 ( 0.000 -0.855 -0.984) 1.303 15.114 ( 0.000 -0.783 6.295) 6.343 15.352 ( 0.000 -5.798 0.639) 5.833 15.418 ( 0.000 4.027 19.230) 19.647 15.952 ( 0.000 -3.241 2.636) 4.177 18.865 ( 0.000 -0.273 16.433) 16.436 19.237 ( 0.000 0.421 -2.428) 2.464 19.249 ( 0.000 -8.357 -1.782) 8.545 19.618 ( 0.000 -4.777 -6.450) 8.026 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.253 8.214 17.456) 19.564 2.143 ( 6.516 5.727 17.941) 19.928 2.536 ( 1.297 -2.129 -10.784) 11.069 2.770 ( -4.119 -2.719 -3.607) 6.113 2.861 ( -5.178 -7.294 -3.957) 9.782 2.996 ( -0.930 -7.371 -2.370) 7.799 3.157 ( 5.239 3.320 -1.132) 6.305 3.185 ( 1.946 0.882 -10.741) 10.952 3.288 ( 0.070 1.797 -6.339) 6.589 3.434 ( -4.976 -3.343 -2.915) 6.666 3.639 ( 6.714 -3.668 13.300) 15.344 4.295 ( -5.461 -11.121 -7.305) 14.383 4.903 ( 6.196 15.782 7.062) 18.367 5.439 ( 4.526 13.221 -3.185) 14.333 5.722 ( 1.567 -1.527 -2.633) 3.423 5.862 ( 2.743 -2.488 -1.255) 3.910 6.065 ( -6.624 0.372 14.167) 15.643 6.410 ( 6.539 -2.598 10.498) 12.638 6.593 ( 5.829 9.685 14.814) 18.634 6.954 ( -2.239 19.671 -1.412) 19.849 7.347 ( -1.763 -5.197 10.973) 12.269 7.621 ( 2.525 0.875 -17.848) 18.047 7.912 ( -2.407 1.045 -0.189) 2.631 8.136 ( 1.239 -0.048 -7.405) 7.508 8.304 ( -8.588 0.824 8.860) 12.367 8.333 ( -8.310 -1.987 -12.762) 15.358 8.652 ( -2.485 5.602 -5.800) 8.438 9.062 ( -10.175 6.841 -2.062) 12.433 9.424 ( -0.089 -0.751 -6.503) 6.547 9.665 ( -8.306 -8.625 5.383) 13.129 9.705 ( -1.514 5.210 -2.634) 6.031 9.975 ( -2.256 -8.566 -1.789) 9.037 10.093 ( -9.294 -1.978 0.438) 9.512 10.416 ( 12.917 6.134 -7.895) 16.334 10.628 ( 6.323 -3.629 8.302) 11.049 10.740 ( 5.654 1.711 2.205) 6.305 10.820 ( 5.298 0.434 0.910) 5.393 11.053 ( 3.359 2.348 -9.900) 10.715 11.384 ( 3.240 -4.200 5.099) 7.358 11.414 ( 4.744 1.600 11.953) 12.959 12.095 ( -1.651 -0.157 -1.466) 2.213 12.167 ( 0.548 -2.075 -17.415) 17.547 12.342 ( -3.820 -4.533 -9.978) 11.606 12.570 ( -7.504 -1.745 -10.429) 12.966 13.598 ( 0.287 5.722 1.678) 5.969 13.689 ( 0.292 2.709 -1.178) 2.969 13.929 ( -1.858 3.646 6.141) 7.380 14.118 ( -0.199 -0.488 -2.612) 2.665 14.156 ( 0.448 -1.640 -2.004) 2.628 14.298 ( 1.313 1.355 -2.889) 3.451 14.344 ( 1.569 1.675 0.781) 2.424 14.392 ( 1.582 0.348 -1.427) 2.159 15.137 ( 1.691 -0.751 5.014) 5.344 15.300 ( -3.936 -2.032 4.966) 6.654 15.495 ( 5.775 -0.580 13.550) 14.741 15.938 ( -0.535 -3.579 4.399) 5.696 18.881 ( 1.622 -0.507 15.025) 15.121 19.175 ( -6.107 0.510 -3.041) 6.841 19.233 ( -2.043 -7.631 -3.715) 8.729 19.583 ( -3.573 -4.829 -6.568) 8.901 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.116 7.105 10.246) 13.477 2.284 ( 6.693 5.169 9.900) 13.020 2.555 ( 0.232 -0.672 -8.911) 8.939 2.655 ( -7.441 0.177 -4.689) 8.797 2.763 ( -4.342 -7.486 0.594) 8.675 2.984 ( -0.453 -8.134 0.370) 8.155 3.104 ( -6.439 1.629 -4.768) 8.176 3.227 ( -0.872 1.580 -4.555) 4.900 3.347 ( 4.965 -0.508 -6.522) 8.212 3.378 ( -0.692 -0.477 -3.647) 3.743 3.844 ( 13.528 -8.642 10.463) 19.162 4.168 ( -6.516 -11.145 -3.817) 13.463 5.051 ( 8.513 18.277 6.515) 21.189 5.536 ( 4.558 16.081 -3.153) 17.009 5.751 ( 0.820 0.934 11.177) 11.246 5.914 ( 3.812 -4.220 9.475) 11.051 6.034 ( 4.684 -0.732 1.645) 5.018 6.579 ( 11.076 -3.285 -6.982) 13.499 6.715 ( 6.203 9.403 9.490) 14.729 6.916 ( -0.810 13.853 -0.968) 13.911 7.255 ( -7.641 -7.199 8.057) 13.234 7.628 ( -3.100 0.990 -14.215) 14.583 7.851 ( -4.949 1.510 -3.453) 6.221 8.007 ( -18.301 0.685 -17.008) 24.993 8.100 ( -6.939 4.027 0.190) 8.025 8.300 ( -0.254 -0.467 -2.605) 2.659 8.490 ( -19.188 5.928 -14.640) 24.853 8.781 ( 1.308 8.513 1.556) 8.752 9.503 ( -6.637 -6.031 6.494) 11.073 9.549 ( -3.008 -1.304 -6.768) 7.521 9.734 ( 8.832 2.066 7.824) 11.978 9.871 ( -7.671 -6.081 -3.160) 10.287 10.012 ( 0.345 6.233 -1.127) 6.343 10.531 ( 0.866 6.699 -4.373) 8.047 10.757 ( 8.481 -1.899 7.386) 11.406 10.884 ( 8.545 0.894 1.764) 8.771 10.967 ( 9.534 -0.321 6.074) 11.309 11.171 ( 6.859 -0.764 -7.420) 10.133 11.447 ( 2.829 -5.693 5.302) 8.278 11.512 ( 4.588 0.971 9.653) 10.732 12.057 ( -1.965 -0.726 -2.309) 3.118 12.178 ( -1.368 -5.938 -12.723) 14.107 12.252 ( -4.405 -4.778 -9.221) 11.281 12.388 ( -9.486 -4.125 -9.639) 14.140 13.586 ( -1.361 6.274 -2.405) 6.855 13.698 ( 0.172 3.116 -3.533) 4.714 13.934 ( 2.326 4.567 5.908) 7.822 14.113 ( -0.157 0.669 -1.246) 1.423 14.163 ( 0.476 -1.580 -0.910) 1.884 14.324 ( 1.387 -0.495 -1.165) 1.878 14.381 ( 2.134 1.113 0.878) 2.562 14.423 ( 1.279 1.647 -1.226) 2.419 15.153 ( -0.314 -0.025 2.617) 2.636 15.204 ( -5.721 -0.137 2.060) 6.082 15.609 ( 5.961 -2.624 13.916) 15.365 15.965 ( 3.163 -5.653 7.443) 9.867 18.926 ( 2.944 -1.201 11.063) 11.511 19.023 ( -8.966 1.261 -5.283) 10.483 19.159 ( -5.723 -6.058 -7.352) 11.114 19.487 ( -6.174 -4.888 -6.698) 10.338 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 4.791 4.130 5.148) 8.155 2.349 ( 0.624 5.147 -4.023) 6.562 2.495 ( -7.501 2.345 -1.621) 8.025 2.543 ( -2.251 1.055 -11.631) 11.894 2.724 ( 0.375 -4.735 4.483) 6.531 2.958 ( -3.172 -5.402 1.154) 6.370 3.033 ( 0.540 -0.250 0.427) 0.733 3.189 ( -2.259 -1.345 -0.417) 2.662 3.361 ( -0.612 -0.699 -4.906) 4.994 3.413 ( 0.589 1.489 -5.699) 5.920 4.038 ( 3.201 -14.706 6.797) 16.513 4.138 ( 5.658 -14.769 4.748) 16.513 5.212 ( 8.140 20.637 5.163) 22.777 5.577 ( -1.087 20.305 -2.739) 20.517 5.793 ( 5.733 1.738 8.614) 10.493 6.061 ( 11.704 -4.076 6.731) 14.103 6.211 ( 11.986 -1.785 2.090) 12.297 6.740 ( 4.543 2.509 -3.971) 6.535 6.864 ( 5.437 1.926 -7.709) 9.628 6.965 ( 9.324 6.666 2.245) 11.680 7.083 ( -9.375 -1.285 1.974) 9.667 7.403 ( -22.142 -4.578 -20.156) 30.290 7.601 ( -21.829 -1.803 -8.003) 23.319 7.693 ( -14.647 -3.270 -8.734) 17.364 7.914 ( -5.040 14.085 -7.393) 16.687 8.075 ( -8.545 12.953 -7.246) 17.126 8.557 ( 11.994 1.580 3.336) 12.549 8.886 ( 6.844 7.178 -0.415) 9.926 9.343 ( -9.035 -3.968 6.634) 11.891 9.463 ( -8.567 0.363 -2.057) 8.818 9.675 ( -3.510 -1.825 -4.642) 6.099 9.898 ( 1.946 -5.292 -9.986) 11.468 10.118 ( 9.750 11.015 9.088) 17.291 10.512 ( -2.399 7.456 -1.112) 7.911 10.945 ( 10.199 -1.861 6.412) 12.191 11.053 ( 8.670 1.099 1.729) 8.908 11.147 ( 7.678 1.681 6.140) 9.974 11.266 ( 3.089 -0.766 -7.257) 7.924 11.492 ( 1.713 -7.883 7.483) 11.003 11.582 ( 3.601 -2.223 6.968) 8.153 11.955 ( -10.129 -0.141 -0.688) 10.154 12.078 ( -7.390 -5.367 -4.467) 10.167 12.201 ( 0.595 -7.877 -4.143) 8.920 12.310 ( 0.007 -7.971 -12.667) 14.967 13.562 ( -0.754 6.675 -5.844) 8.904 13.679 ( -2.294 3.894 -7.641) 8.878 13.995 ( 3.470 2.033 3.687) 5.456 14.131 ( 2.323 2.126 1.890) 3.673 14.168 ( -0.166 -2.783 -0.627) 2.857 14.346 ( 0.441 0.555 0.817) 1.082 14.415 ( 0.961 0.717 1.482) 1.906 14.431 ( -0.268 1.589 1.074) 1.936 15.101 ( -3.107 1.863 -1.167) 3.806 15.142 ( -1.473 2.038 -1.972) 3.196 15.731 ( 6.914 -4.644 16.052) 18.084 16.021 ( 1.478 -7.845 10.769) 13.405 18.861 ( -6.507 1.731 -8.631) 10.947 18.998 ( 4.285 -2.192 5.343) 7.192 19.021 ( -8.150 -3.620 -10.641) 13.884 19.355 ( -7.265 -4.769 -6.163) 10.654 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.339 2.461 -0.843) 2.623 2.324 ( -4.477 1.614 -4.659) 6.660 2.448 ( 3.662 5.733 -8.966) 11.255 2.505 ( -1.958 1.637 -9.972) 10.293 2.754 ( 3.115 -0.399 4.267) 5.298 2.856 ( -6.601 0.289 2.579) 7.093 3.095 ( 4.111 -3.137 3.906) 6.481 3.153 ( -1.896 -4.271 2.131) 5.136 3.359 ( 0.731 -0.117 -4.008) 4.075 3.390 ( -2.107 1.079 -4.760) 5.316 4.111 ( 5.230 -17.890 9.207) 20.788 4.193 ( -1.673 -18.874 9.566) 21.225 5.363 ( 7.460 21.686 2.629) 23.083 5.498 ( -6.284 22.104 -0.325) 22.982 6.020 ( 16.742 -0.556 -1.373) 16.807 6.252 ( 0.276 -4.532 2.358) 5.116 6.485 ( 18.584 1.321 3.433) 18.945 6.799 ( -0.777 2.680 -11.359) 11.697 6.840 ( -4.328 -2.071 -8.161) 9.466 6.890 ( -12.103 6.052 4.204) 14.169 7.024 ( -9.963 -2.432 -9.988) 14.315 7.066 ( -14.765 0.390 -16.603) 22.222 7.281 ( 10.590 -2.407 -2.547) 11.155 7.506 ( -10.015 -3.741 -4.471) 11.588 7.885 ( 0.885 15.344 -8.122) 17.383 7.944 ( -5.220 16.130 -7.685) 18.614 8.811 ( 13.881 2.367 5.004) 14.944 9.001 ( 1.514 4.691 -0.280) 4.938 9.160 ( -7.265 0.030 7.400) 10.370 9.243 ( -10.145 2.871 0.077) 10.543 9.741 ( 6.796 -3.980 -8.513) 11.597 9.863 ( -4.817 -4.989 -11.897) 13.771 10.307 ( 8.741 9.658 5.784) 14.253 10.441 ( -5.179 8.466 1.754) 10.078 11.119 ( 7.313 1.997 6.469) 9.965 11.193 ( 2.688 2.422 3.136) 4.788 11.222 ( 2.890 -0.590 2.459) 3.840 11.293 ( -1.240 -2.306 -5.365) 5.970 11.530 ( 4.009 -6.239 5.896) 9.474 11.645 ( -2.667 -5.562 2.340) 6.597 11.788 ( 0.090 -1.597 5.278) 5.515 11.922 ( -8.674 -5.079 1.636) 10.184 12.254 ( 3.413 -9.234 -4.982) 11.033 12.303 ( -1.400 -9.466 -8.832) 13.022 13.569 ( 1.623 6.366 -8.425) 10.684 13.620 ( -3.326 5.277 -9.434) 11.310 14.062 ( 3.598 -2.246 1.609) 4.536 14.128 ( -2.777 -4.243 0.022) 5.071 14.217 ( 4.865 4.345 3.424) 7.367 14.310 ( -4.176 3.855 2.785) 6.330 14.422 ( 0.700 0.076 2.365) 2.468 14.433 ( -0.156 0.617 2.458) 2.539 15.084 ( 0.841 3.564 -4.781) 6.022 15.111 ( -1.665 3.002 -4.683) 5.806 15.874 ( 7.512 -6.831 16.837) 19.662 15.995 ( -4.293 -8.240 14.654) 17.352 18.799 ( 0.420 1.135 -11.925) 11.986 18.872 ( -6.552 -0.928 -12.612) 14.243 19.095 ( 5.710 -3.381 0.022) 6.636 19.217 ( -6.903 -4.293 -4.063) 9.087 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.000 6.928 12.151) 13.987 2.245 ( 0.000 10.094 11.937) 15.633 2.507 ( 0.000 3.097 -1.969) 3.670 2.659 ( 0.000 -8.348 -1.429) 8.470 2.694 ( 0.000 -10.953 1.650) 11.077 2.956 ( 0.000 -9.160 -1.308) 9.253 3.046 ( 0.000 4.170 0.429) 4.192 3.243 ( 0.000 3.931 -14.270) 14.802 3.334 ( 0.000 0.634 -14.711) 14.725 3.359 ( 0.000 -8.369 -3.895) 9.231 3.602 ( 0.000 5.734 -1.224) 5.863 4.079 ( 0.000 -13.725 -8.922) 16.370 5.197 ( 0.000 16.811 4.259) 17.342 5.635 ( 0.000 -1.133 -4.691) 4.826 5.660 ( 0.000 7.061 -5.285) 8.820 5.814 ( 0.000 0.960 -8.690) 8.743 6.188 ( 0.000 1.073 22.588) 22.614 6.290 ( 0.000 -1.624 28.932) 28.977 6.796 ( 0.000 14.737 19.805) 24.686 7.244 ( 0.000 -3.348 13.087) 13.509 7.564 ( 0.000 1.098 -12.862) 12.909 7.596 ( 0.000 27.672 -2.305) 27.768 7.884 ( 0.000 -6.840 6.037) 9.123 8.127 ( 0.000 -1.538 -8.233) 8.375 8.239 ( 0.000 -3.185 4.859) 5.809 8.449 ( 0.000 0.247 -12.755) 12.757 8.925 ( 0.000 5.485 -10.066) 11.463 9.073 ( 0.000 3.656 1.409) 3.918 9.429 ( 0.000 -9.489 -0.478) 9.501 9.510 ( 0.000 -6.744 -3.325) 7.519 9.905 ( 0.000 6.251 -4.045) 7.445 10.081 ( 0.000 -0.392 5.797) 5.810 10.094 ( 0.000 -0.885 -6.700) 6.758 10.151 ( 0.000 -6.854 5.302) 8.666 10.416 ( 0.000 0.416 -0.746) 0.854 10.676 ( 0.000 -5.957 -3.902) 7.121 10.837 ( 0.000 4.080 -0.896) 4.177 11.124 ( 0.000 -6.971 -4.858) 8.497 11.214 ( 0.000 6.846 -5.315) 8.667 11.451 ( 0.000 1.698 9.074) 9.232 12.104 ( 0.000 1.039 -2.562) 2.765 12.237 ( 0.000 5.386 -12.165) 13.304 12.267 ( 0.000 -5.498 -5.759) 7.962 12.570 ( 0.000 -6.646 -9.625) 11.696 13.728 ( 0.000 6.634 0.844) 6.687 13.759 ( 0.000 4.119 -1.394) 4.348 14.026 ( 0.000 1.979 7.227) 7.494 14.071 ( 0.000 -3.577 -1.250) 3.789 14.122 ( 0.000 1.848 -2.526) 3.130 14.323 ( 0.000 -2.122 -0.695) 2.233 14.364 ( 0.000 2.115 -2.291) 3.118 14.382 ( 0.000 2.278 0.179) 2.285 15.088 ( 0.000 -1.237 3.364) 3.584 15.205 ( 0.000 -7.254 1.449) 7.397 15.544 ( 0.000 7.534 16.513) 18.150 15.855 ( 0.000 -5.978 7.179) 9.342 18.869 ( 0.000 1.007 12.104) 12.145 19.060 ( 0.000 -8.537 2.645) 8.938 19.265 ( 0.000 2.516 -4.175) 4.875 19.489 ( 0.000 -7.033 -6.202) 9.377 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.518 7.592 7.295) 11.101 2.274 ( 3.330 7.280 12.805) 15.102 2.535 ( 2.495 3.407 -1.240) 4.401 2.648 ( -0.996 -6.991 -1.404) 7.200 2.687 ( -0.857 -8.456 1.067) 8.566 2.886 ( -4.458 -4.151 -0.952) 6.165 3.131 ( 4.946 -3.406 0.626) 6.038 3.242 ( -4.647 0.357 -2.519) 5.298 3.291 ( -0.272 -1.382 -13.576) 13.649 3.347 ( 0.468 -2.734 -12.952) 13.246 3.629 ( 2.711 4.179 -2.110) 5.410 4.040 ( -4.033 -12.488 -8.259) 15.506 5.272 ( 7.590 16.718 4.566) 18.920 5.664 ( 3.142 -3.570 -0.473) 4.779 5.720 ( 6.333 11.352 -6.285) 14.439 5.860 ( 3.618 1.653 -2.245) 4.568 6.082 ( -7.420 2.282 20.301) 21.735 6.339 ( 3.842 -4.727 18.800) 19.762 6.838 ( 3.896 12.881 17.752) 22.276 7.223 ( -3.673 -5.845 11.785) 13.658 7.406 ( -8.153 17.394 -8.113) 20.853 7.710 ( 3.453 10.311 -7.971) 13.482 7.878 ( -0.589 -5.861 3.091) 6.652 8.114 ( -1.817 -3.060 -8.157) 8.900 8.261 ( 2.626 0.126 6.385) 6.905 8.340 ( -10.201 1.531 -12.774) 16.419 8.831 ( -2.948 8.669 -10.128) 13.654 9.134 ( -7.950 -1.924 -2.148) 8.457 9.420 ( 0.729 -0.288 -7.018) 7.062 9.520 ( 1.262 -2.363 2.134) 3.425 9.707 ( -12.657 -5.820 -0.760) 13.952 9.827 ( -5.742 -5.269 -1.228) 7.889 10.122 ( 1.997 5.717 3.681) 7.087 10.452 ( 11.160 -8.143 10.369) 17.273 10.557 ( 12.483 4.688 -5.972) 14.610 10.742 ( 6.371 -3.415 -1.989) 7.497 10.848 ( 1.852 3.381 0.181) 3.859 11.153 ( 2.375 -3.820 -4.380) 6.278 11.227 ( 1.635 2.958 -3.237) 4.680 11.490 ( 3.684 1.041 7.613) 8.522 12.088 ( -1.418 0.085 -2.499) 2.874 12.160 ( -6.252 1.082 -12.048) 13.617 12.243 ( -3.546 -3.315 -7.310) 8.775 12.479 ( -8.877 -6.863 -8.802) 14.261 13.739 ( 0.741 6.787 -0.498) 6.845 13.765 ( 0.538 4.033 -1.989) 4.529 14.007 ( -0.786 1.886 4.005) 4.496 14.100 ( 1.524 -3.472 0.448) 3.818 14.127 ( 0.921 3.157 -1.541) 3.632 14.318 ( -0.327 -1.061 -0.215) 1.131 14.379 ( 1.388 2.132 -1.258) 2.838 14.411 ( 2.406 1.291 -1.290) 3.020 15.106 ( 1.685 -1.558 3.784) 4.425 15.209 ( 0.126 -5.928 1.564) 6.132 15.549 ( 0.665 5.533 15.839) 16.790 15.834 ( -1.676 -6.182 7.681) 10.001 18.878 ( 0.949 0.653 10.853) 10.914 19.052 ( -1.011 -8.033 1.036) 8.163 19.213 ( -5.162 2.907 -4.824) 7.640 19.451 ( -3.803 -7.234 -6.397) 10.378 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 2.214 7.127 4.149) 8.539 2.381 ( 6.334 3.282 7.817) 10.583 2.573 ( 0.475 2.454 0.176) 2.506 2.619 ( -1.953 -3.464 2.072) 4.484 2.664 ( -1.118 -0.098 -4.521) 4.659 2.817 ( -2.409 -6.667 1.596) 7.266 3.085 ( -8.165 -3.884 -0.587) 9.061 3.157 ( -1.900 -6.461 -2.351) 7.133 3.342 ( 3.225 0.648 -8.985) 9.568 3.399 ( 3.551 -0.016 -8.418) 9.136 3.704 ( 4.868 -2.354 -2.741) 6.063 3.932 ( -6.679 -10.235 -6.224) 13.715 5.468 ( 11.663 17.411 5.175) 21.586 5.763 ( 7.135 -1.153 6.982) 10.049 5.875 ( 4.800 14.365 3.506) 15.546 5.891 ( 2.584 4.353 7.716) 9.229 6.017 ( 3.594 -0.514 3.069) 4.754 6.472 ( 10.385 -7.690 -0.274) 12.925 6.918 ( 3.499 7.941 13.485) 16.036 7.069 ( -10.402 -2.883 4.356) 11.640 7.296 ( -4.529 13.708 -5.164) 15.333 7.678 ( -7.110 4.111 -10.395) 13.248 7.798 ( -11.093 -6.495 -10.678) 16.711 7.954 ( -15.318 -5.542 -13.188) 20.959 8.221 ( 0.745 7.263 -2.061) 7.587 8.377 ( 8.865 5.407 10.542) 14.797 8.663 ( -17.379 11.597 -14.165) 25.242 8.969 ( 0.970 8.183 1.499) 8.376 9.358 ( -4.709 -6.664 4.361) 9.252 9.470 ( -7.408 -8.720 -3.815) 12.061 9.705 ( 8.089 -2.642 -5.955) 10.386 9.755 ( -4.207 -3.383 -4.812) 7.232 10.229 ( 8.176 11.468 8.718) 16.564 10.624 ( 8.843 -8.748 9.437) 15.614 10.707 ( 2.205 9.306 -0.361) 9.571 10.896 ( 9.029 -1.014 0.396) 9.094 10.966 ( 10.065 0.486 1.970) 10.268 11.206 ( 3.363 -2.495 -0.440) 4.211 11.274 ( 2.897 -1.550 -1.611) 3.659 11.565 ( 3.143 1.016 5.543) 6.453 12.022 ( -5.963 -2.833 -8.291) 10.598 12.071 ( -2.043 -2.935 -8.010) 8.772 12.137 ( -7.038 -4.330 -6.982) 10.818 12.261 ( -12.515 -7.610 -7.424) 16.422 13.739 ( -0.730 7.117 -3.518) 7.973 13.780 ( 0.740 4.379 -3.519) 5.666 14.003 ( 0.018 0.635 0.871) 1.078 14.104 ( -0.792 -3.347 -1.848) 3.905 14.169 ( 2.908 4.704 2.161) 5.938 14.322 ( 1.007 -0.362 0.905) 1.402 14.411 ( 1.677 1.737 -0.225) 2.425 14.452 ( 1.469 0.840 -1.427) 2.213 15.140 ( 1.534 -0.412 4.774) 5.032 15.204 ( -0.237 -0.850 1.480) 1.723 15.572 ( 1.674 0.362 14.305) 14.407 15.812 ( -0.430 -8.314 8.424) 11.844 18.904 ( 1.618 -0.540 7.387) 7.581 19.009 ( -3.766 -5.469 -2.523) 7.103 19.085 ( -7.325 3.117 -6.698) 10.403 19.351 ( -6.298 -7.607 -6.789) 11.984 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.820 4.082 4.148) 5.877 2.451 ( -1.196 4.196 -0.843) 4.444 2.557 ( -0.473 -0.790 3.323) 3.449 2.597 ( 0.364 5.448 0.008) 5.461 2.655 ( 0.469 2.299 -4.601) 5.164 2.796 ( -0.121 -8.583 4.260) 9.583 2.993 ( -0.976 -4.394 -1.490) 4.741 3.105 ( -2.833 -6.722 -2.576) 7.736 3.382 ( 0.897 2.340 -6.159) 6.650 3.440 ( 0.405 0.586 -2.720) 2.812 3.770 ( -0.473 -9.314 -0.072) 9.326 3.825 ( -1.989 -12.577 -2.547) 12.986 5.669 ( 8.916 17.673 5.410) 20.521 5.868 ( 3.708 6.543 10.509) 12.923 5.975 ( 11.902 2.258 6.472) 13.735 6.032 ( 6.403 16.179 -2.131) 17.530 6.184 ( 12.117 -1.143 2.305) 12.387 6.704 ( 11.935 -6.246 -8.470) 15.912 6.882 ( -5.558 -0.885 -2.398) 6.118 6.978 ( 0.482 -3.124 9.226) 9.753 7.194 ( -6.208 8.796 -7.918) 13.364 7.358 ( -22.681 0.802 -26.432) 34.839 7.525 ( -21.648 -4.636 -9.109) 23.939 7.608 ( -14.123 -5.095 -11.828) 19.113 8.268 ( 2.836 15.043 5.605) 16.302 8.423 ( -5.716 21.036 -3.578) 22.090 8.592 ( 12.165 1.778 9.682) 15.649 9.047 ( 4.681 5.898 -2.718) 8.006 9.225 ( -6.672 -6.057 4.772) 10.197 9.443 ( 1.465 -4.376 -2.348) 5.178 9.631 ( -6.973 -0.587 -4.626) 8.389 9.792 ( 0.505 -4.608 -11.240) 12.158 10.397 ( 8.654 13.853 10.364) 19.344 10.698 ( -1.512 8.555 1.481) 8.813 10.826 ( 10.828 -6.618 8.618) 15.340 11.063 ( 7.075 -3.321 2.760) 8.289 11.159 ( 8.969 -0.610 2.637) 9.368 11.280 ( 4.274 -3.321 5.564) 7.762 11.344 ( 4.784 1.912 -4.377) 6.761 11.582 ( -1.261 2.762 3.913) 4.953 11.931 ( -8.506 -3.831 -5.529) 10.844 11.950 ( -6.877 -8.652 -7.212) 13.197 11.985 ( -6.913 -6.697 -5.029) 10.860 12.109 ( -2.752 -10.472 -8.445) 13.731 13.724 ( -0.499 7.804 -5.574) 9.603 13.781 ( -0.739 5.392 -6.444) 8.435 13.997 ( -0.476 -1.777 -1.170) 2.180 14.075 ( -2.049 -4.556 -2.716) 5.686 14.235 ( 3.982 5.522 3.835) 7.814 14.356 ( 2.210 0.077 1.965) 2.959 14.433 ( 0.235 0.972 0.788) 1.273 14.459 ( -0.613 0.739 0.544) 1.103 15.166 ( 1.633 4.408 3.387) 5.794 15.213 ( 0.962 4.456 1.532) 4.810 15.612 ( 2.637 -5.643 13.548) 14.911 15.806 ( -0.850 -11.781 9.697) 15.282 18.910 ( -5.122 1.337 -6.172) 8.131 18.943 ( 2.073 -2.716 1.903) 3.911 18.959 ( -5.514 0.276 -8.487) 10.125 19.221 ( -6.885 -7.601 -6.806) 12.308 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.661 4.361 3.688) 5.749 2.385 ( -3.435 4.727 1.430) 6.016 2.561 ( 0.802 2.159 -1.010) 2.514 2.586 ( -1.553 5.492 -6.537) 8.678 2.718 ( 4.804 -1.088 1.943) 5.296 2.786 ( -1.726 -5.007 2.750) 5.967 3.015 ( 2.185 -5.244 -1.646) 5.915 3.057 ( -2.183 -5.964 -2.256) 6.739 3.390 ( 0.583 3.852 -2.262) 4.505 3.418 ( -2.031 2.088 -1.609) 3.328 3.755 ( 1.334 -14.366 2.975) 14.732 3.803 ( -2.386 -16.367 2.414) 16.715 5.832 ( 8.335 19.425 3.606) 21.443 5.981 ( -5.830 21.316 1.667) 22.161 6.044 ( 13.370 2.744 2.316) 13.843 6.225 ( 1.885 1.526 3.305) 4.099 6.470 ( 19.010 -0.737 0.954) 19.049 6.792 ( -7.564 -1.785 -3.574) 8.554 6.839 ( -1.524 0.795 -8.942) 9.106 6.885 ( -6.160 -7.425 -13.824) 16.858 7.047 ( -14.185 3.044 -7.902) 16.520 7.067 ( -8.791 2.317 -18.668) 20.764 7.190 ( 6.387 -6.072 -7.923) 11.850 7.388 ( -11.246 -7.470 -6.607) 15.031 8.318 ( 2.334 22.007 4.144) 22.515 8.360 ( -2.202 22.396 1.345) 22.544 8.834 ( 12.181 -1.373 8.294) 14.801 9.032 ( -7.548 -5.384 5.038) 10.552 9.210 ( 5.886 7.636 -2.165) 9.881 9.364 ( -8.917 8.223 -4.175) 12.828 9.626 ( 5.830 -7.137 -5.591) 10.779 9.743 ( -5.050 -6.559 -9.368) 12.501 10.547 ( 6.639 12.286 7.676) 15.936 10.647 ( -3.801 10.315 4.905) 12.037 11.018 ( 8.298 -9.209 6.263) 13.888 11.118 ( -1.553 -10.888 5.699) 12.387 11.297 ( 4.992 4.297 4.112) 7.765 11.353 ( 0.781 9.502 1.470) 9.646 11.444 ( 6.564 -0.204 -3.026) 7.230 11.572 ( -0.636 -0.310 -2.439) 2.540 11.718 ( -5.928 -4.498 2.264) 7.778 11.804 ( -8.649 -4.970 -1.757) 10.129 11.983 ( 3.287 -15.623 -8.040) 17.876 12.055 ( -3.516 -13.215 -8.043) 15.865 13.728 ( 0.928 8.005 -7.189) 10.800 13.755 ( -1.690 7.122 -7.850) 10.733 13.998 ( 0.852 -4.046 -1.889) 4.546 14.031 ( -2.327 -5.099 -2.585) 6.172 14.316 ( 4.196 4.524 3.738) 7.214 14.380 ( -1.373 2.605 2.430) 3.818 14.421 ( 0.373 -0.157 2.336) 2.370 14.444 ( -1.035 0.176 1.993) 2.252 15.204 ( 1.881 7.973 1.075) 8.262 15.225 ( -0.119 8.127 1.145) 8.208 15.679 ( 4.312 -11.082 13.372) 17.894 15.762 ( -3.679 -13.210 11.870) 18.136 18.843 ( -1.138 2.973 -9.496) 10.016 18.868 ( -3.455 1.384 -9.827) 10.508 19.003 ( 3.940 -4.980 -2.332) 6.765 19.097 ( -5.784 -6.755 -5.527) 10.471 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 -2.609 8.690) 9.073 2.332 ( 0.000 2.609 8.690) 9.073 2.546 ( 0.000 -1.534 -0.900) 1.779 2.546 ( 0.000 1.534 -0.900) 1.779 2.708 ( 0.000 -12.841 4.385) 13.569 2.708 ( 0.000 12.841 4.385) 13.569 3.173 ( 0.000 -7.694 -5.434) 9.420 3.173 ( 0.000 7.694 -5.434) 9.420 3.317 ( 0.000 -2.063 -15.058) 15.199 3.317 ( 0.000 2.063 -15.058) 15.199 3.801 ( 0.000 -12.266 -7.335) 14.292 3.801 ( 0.000 12.266 -7.335) 14.292 5.483 ( 0.000 -10.338 0.986) 10.385 5.483 ( 0.000 10.338 0.986) 10.385 5.806 ( 0.000 -3.108 -12.147) 12.538 5.806 ( 0.000 3.108 -12.147) 12.538 6.236 ( 0.000 -3.140 30.854) 31.014 6.236 ( 0.000 3.140 30.854) 31.014 7.087 ( 0.000 -11.369 18.245) 21.497 7.087 ( 0.000 11.369 18.245) 21.497 7.678 ( 0.000 -9.712 0.840) 9.748 7.678 ( 0.000 9.712 0.840) 9.748 8.033 ( 0.000 -9.846 -7.864) 12.601 8.033 ( 0.000 9.846 -7.864) 12.601 8.335 ( 0.000 -10.562 -4.001) 11.295 8.335 ( 0.000 10.562 -4.001) 11.295 9.023 ( 0.000 -4.728 -9.532) 10.640 9.023 ( 0.000 4.728 -9.532) 10.640 9.390 ( 0.000 -3.702 0.989) 3.832 9.390 ( 0.000 3.702 0.989) 3.832 10.027 ( 0.000 -5.271 -1.595) 5.507 10.027 ( 0.000 5.271 -1.595) 5.507 10.071 ( 0.000 -0.510 5.573) 5.597 10.071 ( 0.000 0.510 5.573) 5.597 10.516 ( 0.000 -7.795 -5.878) 9.763 10.516 ( 0.000 7.795 -5.878) 9.763 10.950 ( 0.000 -6.987 0.380) 6.997 10.950 ( 0.000 6.987 0.380) 6.997 11.395 ( 0.000 -6.797 -4.162) 7.970 11.395 ( 0.000 6.797 -4.162) 7.970 12.162 ( 0.000 -4.266 -1.608) 4.560 12.162 ( 0.000 4.266 -1.608) 4.560 12.394 ( 0.000 -9.013 -9.427) 13.043 12.394 ( 0.000 9.013 -9.427) 13.043 13.815 ( 0.000 -0.378 -2.400) 2.430 13.815 ( 0.000 0.378 -2.400) 2.430 14.023 ( 0.000 -0.177 3.142) 3.147 14.023 ( 0.000 0.177 3.142) 3.147 14.227 ( 0.000 -6.119 0.087) 6.120 14.227 ( 0.000 6.119 0.087) 6.120 14.403 ( 0.000 -0.544 -0.807) 0.973 14.403 ( 0.000 0.544 -0.807) 0.973 15.094 ( 0.000 -2.631 2.003) 3.307 15.094 ( 0.000 2.631 2.003) 3.307 15.709 ( 0.000 -7.790 12.291) 14.551 15.709 ( 0.000 7.790 12.291) 14.551 18.922 ( 0.000 -4.430 7.108) 8.376 18.922 ( 0.000 4.430 7.108) 8.376 19.350 ( 0.000 -5.663 -5.569) 7.943 19.350 ( 0.000 5.663 -5.569) 7.943 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 1.978 -1.516 8.576) 8.931 2.353 ( 1.978 1.516 8.576) 8.931 2.560 ( 1.357 -1.177 -0.940) 2.028 2.560 ( 1.357 1.177 -0.940) 2.028 2.723 ( 0.920 -10.749 1.888) 10.952 2.723 ( 0.920 10.749 1.888) 10.952 3.142 ( -3.860 -4.818 -0.134) 6.175 3.142 ( -3.860 4.818 -0.134) 6.175 3.316 ( 1.083 -1.470 -16.935) 17.033 3.316 ( 1.083 1.470 -16.935) 17.033 3.794 ( -0.916 -10.542 -7.181) 12.789 3.794 ( -0.916 10.542 -7.181) 12.789 5.537 ( 5.676 -8.794 2.746) 10.821 5.537 ( 5.676 8.794 2.746) 10.821 5.869 ( 5.914 -2.349 -10.006) 11.858 5.869 ( 5.914 2.349 -10.006) 11.858 6.199 ( -2.618 -8.003 25.361) 26.723 6.199 ( -2.618 8.003 25.361) 26.723 7.076 ( -1.576 -8.936 15.420) 17.892 7.076 ( -1.576 8.936 15.420) 17.892 7.666 ( -1.633 -11.302 -0.428) 11.428 7.666 ( -1.633 11.302 -0.428) 11.428 7.986 ( -5.111 -9.955 -9.088) 14.416 7.986 ( -5.111 9.955 -9.088) 14.416 8.333 ( 0.075 -3.511 -2.228) 4.159 8.333 ( 0.075 3.511 -2.228) 4.159 8.998 ( -0.949 -8.437 -8.727) 12.176 8.998 ( -0.949 8.437 -8.727) 12.176 9.457 ( -0.273 -4.938 1.538) 5.179 9.457 ( -0.273 4.938 1.538) 5.179 9.701 ( -11.992 -5.807 -4.380) 14.026 9.701 ( -11.992 5.807 -4.380) 14.026 10.275 ( 7.784 -8.010 7.738) 13.588 10.275 ( 7.784 8.010 7.738) 13.588 10.655 ( 11.938 -4.312 -3.478) 13.160 10.655 ( 11.938 4.312 -3.478) 13.160 10.966 ( 1.527 -8.091 1.328) 8.340 10.966 ( 1.527 8.091 1.328) 8.340 11.412 ( 1.733 -8.011 -4.590) 9.394 11.412 ( 1.733 8.011 -4.590) 9.394 12.120 ( -3.960 -2.899 -2.513) 5.514 12.120 ( -3.960 2.899 -2.513) 5.514 12.314 ( -7.879 -7.768 -8.948) 14.230 12.314 ( -7.879 7.768 -8.948) 14.230 13.822 ( 0.620 -0.082 -2.946) 3.011 13.822 ( 0.620 0.082 -2.946) 3.011 14.028 ( 0.316 -2.390 1.921) 3.083 14.028 ( 0.316 2.390 1.921) 3.083 14.242 ( 1.380 -5.677 0.628) 5.876 14.242 ( 1.380 5.677 0.628) 5.876 14.419 ( 1.468 -0.916 -1.072) 2.035 14.419 ( 1.468 0.916 -1.072) 2.035 15.109 ( 1.625 -2.579 2.779) 4.125 15.109 ( 1.625 2.579 2.779) 4.125 15.690 ( -1.765 -7.298 11.987) 14.144 15.690 ( -1.765 7.298 11.987) 14.144 18.924 ( 0.061 -4.038 5.778) 7.049 18.924 ( 0.061 4.038 5.778) 7.049 19.307 ( -4.373 -6.026 -5.941) 9.525 19.307 ( -4.373 6.026 -5.941) 9.525 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 2.165 -1.830 8.382) 8.849 2.396 ( 2.165 1.830 8.382) 8.849 2.594 ( 1.841 -1.651 -1.227) 2.760 2.594 ( 1.841 1.651 -1.227) 2.760 2.725 ( -0.434 -4.384 -2.663) 5.147 2.725 ( -0.434 4.384 -2.663) 5.147 3.035 ( -6.033 -2.752 2.651) 7.141 3.035 ( -6.033 2.752 2.651) 7.141 3.368 ( 3.486 -1.734 -12.056) 12.669 3.368 ( 3.486 1.734 -12.056) 12.669 3.759 ( -2.882 -6.193 -6.427) 9.379 3.759 ( -2.882 6.193 -6.427) 9.379 5.692 ( 9.535 -5.687 7.544) 13.423 5.692 ( 9.535 5.687 7.544) 13.423 5.976 ( 4.208 -2.942 2.385) 5.662 5.976 ( 4.208 2.942 2.385) 5.662 6.230 ( 7.937 -15.403 4.021) 17.788 6.230 ( 7.937 15.403 4.021) 17.788 7.013 ( -5.078 -2.332 9.183) 10.749 7.013 ( -5.078 2.332 9.183) 10.749 7.585 ( -7.399 -12.549 -7.066) 16.191 7.585 ( -7.399 12.549 -7.066) 16.191 7.812 ( -13.807 -7.095 -13.712) 20.712 7.812 ( -13.807 7.095 -13.712) 20.712 8.367 ( 4.359 -5.522 4.948) 8.601 8.367 ( 4.359 5.522 4.948) 8.601 8.987 ( -1.920 -12.570 -5.584) 13.888 8.987 ( -1.920 12.570 -5.584) 13.888 9.274 ( -7.587 -2.078 2.562) 8.273 9.274 ( -7.587 2.078 2.562) 8.273 9.703 ( 2.605 -1.705 -7.948) 8.536 9.703 ( 2.605 1.705 -7.948) 8.536 10.436 ( 9.818 -8.915 9.446) 16.282 10.436 ( 9.818 8.915 9.446) 16.282 10.866 ( 7.477 -3.859 1.354) 8.522 10.866 ( 7.477 3.859 1.354) 8.522 11.016 ( 5.106 -7.152 3.742) 9.551 11.016 ( 5.106 7.152 3.742) 9.551 11.456 ( 2.753 -10.408 -5.001) 11.871 11.456 ( 2.753 10.408 -5.001) 11.871 12.028 ( -5.648 -2.525 -4.881) 7.880 12.028 ( -5.648 2.525 -4.881) 7.880 12.119 ( -11.342 -3.688 -7.464) 14.070 12.119 ( -11.342 3.688 -7.464) 14.070 13.833 ( 0.469 -1.135 -4.178) 4.355 13.833 ( 0.469 1.135 -4.178) 4.355 14.023 ( -1.076 -3.149 -0.966) 3.465 14.023 ( -1.076 3.149 -0.966) 3.465 14.277 ( 2.282 -4.188 2.021) 5.180 14.277 ( 2.282 4.188 2.021) 5.180 14.447 ( 1.164 -1.315 -0.953) 1.998 14.447 ( 1.164 1.315 -0.953) 1.998 15.161 ( 3.831 -2.342 4.506) 6.361 15.161 ( 3.831 2.342 4.506) 6.361 15.649 ( -2.458 -6.510 10.864) 12.901 15.649 ( -2.458 6.510 10.864) 12.901 18.920 ( -0.569 -2.444 2.355) 3.442 18.920 ( -0.569 2.444 2.355) 3.442 19.195 ( -6.849 -6.793 -6.876) 11.846 19.195 ( -6.849 6.793 -6.876) 11.846 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 1.615 -5.011 7.068) 8.814 2.431 ( 1.615 5.011 7.068) 8.814 2.595 ( -2.483 -6.869 0.526) 7.323 2.595 ( -2.482 6.869 0.526) 7.323 2.745 ( 3.302 -4.297 -4.578) 7.095 2.745 ( 3.302 4.297 -4.578) 7.095 2.944 ( -3.306 -5.777 1.390) 6.800 2.944 ( -3.306 5.777 1.390) 6.800 3.426 ( 2.555 -1.652 -5.094) 5.933 3.426 ( 2.555 1.652 -5.094) 5.933 3.681 ( -5.101 -1.167 -4.482) 6.890 3.681 ( -5.101 1.167 -4.482) 6.890 5.861 ( 8.218 -4.946 8.766) 12.994 5.861 ( 8.218 4.946 8.766) 12.994 6.112 ( 10.686 -6.641 4.407) 13.331 6.112 ( 10.686 6.641 4.407) 13.331 6.447 ( 11.907 -18.234 -3.909) 22.126 6.447 ( 11.907 18.234 -3.909) 22.126 6.892 ( -6.591 -2.816 1.138) 7.257 6.892 ( -6.591 2.816 1.138) 7.257 7.364 ( -16.370 -4.687 -19.169) 25.640 7.364 ( -16.370 4.687 -19.169) 25.640 7.488 ( -16.614 -4.462 -10.636) 20.225 7.488 ( -16.614 4.462 -10.636) 20.225 8.502 ( 8.879 -7.334 10.098) 15.317 8.502 ( 8.879 7.334 10.098) 15.317 8.909 ( -4.738 -17.516 2.969) 18.387 8.909 ( -4.738 17.516 2.969) 18.387 9.277 ( 5.396 -8.608 -3.159) 10.640 9.277 ( 5.396 8.608 -3.159) 10.640 9.690 ( -3.741 -4.942 -8.327) 10.380 9.690 ( -3.741 4.942 -8.327) 10.380 10.636 ( 9.878 -8.763 8.765) 15.849 10.636 ( 9.878 8.763 8.765) 15.849 10.912 ( -0.760 -9.070 6.450) 11.156 10.912 ( -0.760 9.070 6.450) 11.156 11.187 ( 10.745 -3.603 3.792) 11.950 11.187 ( 10.745 3.603 3.792) 11.950 11.524 ( 4.686 -10.783 -4.979) 12.769 11.524 ( 4.686 10.783 -4.979) 12.769 11.854 ( -12.049 -5.899 -7.025) 15.144 11.854 ( -12.049 5.899 -7.025) 15.144 11.949 ( -6.496 -2.233 -5.462) 8.776 11.949 ( -6.496 2.233 -5.462) 8.776 13.843 ( 0.724 -2.129 -5.163) 5.632 13.843 ( 0.724 2.129 -5.163) 5.632 13.983 ( -2.898 -2.922 -3.606) 5.471 13.983 ( -2.898 2.922 -3.606) 5.471 14.329 ( 3.037 -2.974 2.991) 5.197 14.329 ( 3.037 2.974 2.991) 5.197 14.455 ( -0.400 -0.945 0.321) 1.075 14.455 ( -0.400 0.945 0.321) 1.075 15.257 ( 6.023 -2.365 6.084) 8.882 15.257 ( 6.023 2.365 6.084) 8.882 15.593 ( -3.550 -6.109 9.304) 11.683 15.593 ( -3.550 6.109 9.304) 11.683 18.906 ( -0.662 -0.552 -1.933) 2.117 18.906 ( -0.662 0.552 -1.933) 2.117 19.061 ( -6.545 -7.097 -7.756) 12.384 19.061 ( -6.545 7.097 -7.756) 12.384 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.426 -6.493 5.002) 8.547 2.468 ( 2.426 6.493 5.002) 8.547 2.527 ( -3.666 -7.333 3.278) 8.829 2.527 ( -3.666 7.333 3.278) 8.829 2.826 ( 4.253 -5.370 -3.768) 7.818 2.826 ( 4.253 5.370 -3.768) 7.818 2.892 ( -2.651 -5.607 -1.277) 6.332 2.892 ( -2.651 5.607 -1.277) 6.332 3.481 ( 3.638 -1.275 -1.106) 4.010 3.481 ( 3.638 1.275 -1.106) 4.010 3.573 ( -5.676 -2.300 -1.757) 6.371 3.573 ( -5.676 2.300 -1.757) 6.371 6.057 ( 12.373 -3.416 3.328) 13.261 6.057 ( 12.373 3.416 3.328) 13.261 6.249 ( -2.366 -3.682 6.261) 7.639 6.249 ( -2.366 3.682 6.261) 7.639 6.620 ( 8.707 -14.827 -4.851) 17.866 6.620 ( 8.707 14.827 -4.851) 17.866 6.814 ( -5.128 -2.569 -6.189) 8.438 6.814 ( -5.128 2.569 -6.189) 8.438 7.077 ( -4.917 -3.103 -18.184) 19.091 7.077 ( -4.917 3.103 -18.184) 19.091 7.215 ( -12.565 -8.319 -10.779) 18.527 7.215 ( -12.565 8.319 -10.779) 18.527 8.675 ( 8.449 -8.908 9.097) 15.281 8.675 ( 8.449 8.908 9.097) 15.281 8.813 ( -5.790 -12.969 6.413) 15.583 8.813 ( -5.790 12.969 6.413) 15.583 9.417 ( 8.384 -10.075 -5.621) 14.261 9.417 ( 8.384 10.075 -5.621) 14.261 9.576 ( -7.609 -8.776 -7.349) 13.745 9.576 ( -7.609 8.776 -7.349) 13.745 10.790 ( 5.997 -9.467 8.785) 14.239 10.790 ( 5.997 9.467 8.785) 14.239 10.874 ( -3.034 -9.515 8.866) 13.354 10.874 ( -3.034 9.515 8.866) 13.354 11.396 ( 10.906 -3.883 1.468) 11.670 11.396 ( 10.906 3.883 1.468) 11.670 11.599 ( -6.914 -8.543 0.171) 10.991 11.599 ( -6.914 8.543 0.171) 10.991 11.670 ( 2.995 -11.087 -9.467) 14.883 11.670 ( 2.995 11.087 -9.467) 14.883 11.813 ( -7.867 -7.437 -6.276) 12.513 11.813 ( -7.867 7.437 -6.276) 12.513 13.869 ( 2.062 -2.606 -5.456) 6.389 13.869 ( 2.062 2.606 -5.456) 6.389 13.921 ( -3.242 -2.783 -5.031) 6.600 13.921 ( -3.242 2.783 -5.031) 6.600 14.387 ( 2.848 -2.046 2.880) 4.538 14.387 ( 2.848 2.046 2.880) 4.538 14.433 ( -1.836 -1.147 1.874) 2.863 14.433 ( -1.836 1.147 1.874) 2.863 15.383 ( 6.810 -3.642 7.184) 10.548 15.383 ( 6.810 3.642 7.184) 10.548 15.505 ( -5.587 -5.316 8.103) 11.186 15.505 ( -5.587 5.316 8.103) 11.186 18.907 ( 1.117 -3.822 -5.648) 6.910 18.907 ( 1.117 3.822 -5.648) 6.910 18.957 ( -4.115 -6.152 -7.613) 10.618 18.957 ( -4.115 6.152 -7.613) 10.618 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 0.000 19.939) 19.939 2.410 ( 0.000 0.000 15.836) 15.836 2.509 ( 0.000 0.000 6.242) 6.242 2.667 ( 0.000 0.000 -10.917) 10.917 2.725 ( 0.000 0.000 -14.059) 14.059 2.769 ( 0.000 0.000 -18.437) 18.437 2.975 ( 0.000 0.000 -0.218) 0.218 3.023 ( 0.000 0.000 -5.121) 5.121 3.378 ( 0.000 0.000 7.243) 7.243 3.503 ( 0.000 0.000 -4.609) 4.609 4.033 ( 0.000 0.000 17.097) 17.097 4.310 ( 0.000 0.000 -11.179) 11.179 4.857 ( 0.000 0.000 10.827) 10.827 5.081 ( 0.000 0.000 -10.595) 10.595 5.575 ( 0.000 0.000 -4.124) 4.124 5.608 ( 0.000 0.000 -7.785) 7.785 6.575 ( 0.000 0.000 10.910) 10.910 6.604 ( 0.000 0.000 22.776) 22.776 6.721 ( 0.000 0.000 -2.606) 2.606 7.058 ( 0.000 0.000 36.300) 36.300 7.106 ( 0.000 0.000 -25.449) 25.449 7.556 ( 0.000 0.000 -1.419) 1.419 7.913 ( 0.000 0.000 -0.379) 0.379 7.954 ( 0.000 0.000 -4.512) 4.512 8.190 ( 0.000 0.000 -9.932) 9.932 8.218 ( 0.000 0.000 -21.460) 21.460 8.972 ( 0.000 0.000 10.080) 10.080 9.008 ( 0.000 0.000 15.253) 15.253 9.476 ( 0.000 0.000 -7.266) 7.266 9.672 ( 0.000 0.000 8.550) 8.550 9.677 ( 0.000 0.000 -18.810) 18.810 9.846 ( 0.000 0.000 -7.302) 7.302 10.193 ( 0.000 0.000 5.790) 5.790 10.309 ( 0.000 0.000 -5.044) 5.044 10.631 ( 0.000 0.000 3.027) 3.027 10.693 ( 0.000 0.000 -2.808) 2.808 10.734 ( 0.000 0.000 7.747) 7.747 10.883 ( 0.000 0.000 -7.353) 7.353 11.554 ( 0.000 0.000 11.132) 11.132 11.729 ( 0.000 0.000 22.125) 22.125 11.828 ( 0.000 0.000 -15.543) 15.543 12.136 ( 0.000 0.000 -18.033) 18.033 12.189 ( 0.000 0.000 8.070) 8.070 12.398 ( 0.000 0.000 -12.018) 12.018 13.610 ( 0.000 0.000 3.168) 3.168 13.649 ( 0.000 0.000 -0.946) 0.946 14.043 ( 0.000 0.000 5.645) 5.645 14.088 ( 0.000 0.000 -1.015) 1.015 14.101 ( 0.000 0.000 -2.512) 2.512 14.155 ( 0.000 0.000 -5.212) 5.212 14.335 ( 0.000 0.000 1.684) 1.684 14.364 ( 0.000 0.000 -1.196) 1.196 15.268 ( 0.000 0.000 6.519) 6.519 15.375 ( 0.000 0.000 -3.983) 3.983 15.726 ( 0.000 0.000 14.303) 14.303 15.935 ( 0.000 0.000 -6.384) 6.384 19.215 ( 0.000 0.000 15.882) 15.882 19.226 ( 0.000 0.000 0.875) 0.875 19.269 ( 0.000 0.000 -3.291) 3.291 19.491 ( 0.000 0.000 -11.431) 11.431 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -3.107 0.000 14.556) 14.884 2.419 ( 0.390 0.000 13.016) 13.021 2.484 ( -1.897 0.000 0.227) 1.911 2.625 ( -4.502 0.000 -8.894) 9.969 2.786 ( 4.641 0.000 -7.513) 8.830 2.856 ( 7.291 0.000 -12.902) 14.819 3.001 ( 2.528 0.000 -1.580) 2.981 3.015 ( -0.127 0.000 -3.435) 3.437 3.358 ( -1.505 0.000 5.482) 5.685 3.451 ( -4.697 0.000 -3.206) 5.686 4.066 ( 3.737 0.000 13.831) 14.327 4.285 ( -2.085 0.000 -8.888) 9.129 4.900 ( 4.114 0.000 10.446) 11.227 5.119 ( 3.497 0.000 -10.445) 11.015 5.650 ( 8.417 0.000 -1.342) 8.524 5.728 ( 11.005 0.000 -8.225) 13.739 6.430 ( -7.143 0.000 17.891) 19.264 6.666 ( -2.854 0.000 -3.407) 4.444 6.775 ( 7.938 0.000 13.630) 15.773 6.917 ( -12.379 0.000 32.446) 34.727 7.155 ( 4.370 0.000 -22.408) 22.830 7.473 ( -9.558 0.000 -13.342) 16.413 7.890 ( -2.588 0.000 0.211) 2.596 7.979 ( -2.120 0.000 -10.415) 10.628 8.151 ( 6.484 0.000 4.606) 7.954 8.394 ( 10.763 0.000 -15.687) 19.024 8.484 ( -27.870 0.000 12.665) 30.612 8.768 ( -31.302 0.000 -14.915) 34.674 9.654 ( -2.513 0.000 7.918) 8.307 9.655 ( 20.247 0.000 18.255) 27.262 9.807 ( -4.873 0.000 -4.450) 6.599 10.030 ( 18.384 0.000 -17.686) 25.510 10.055 ( -10.806 0.000 0.856) 10.840 10.104 ( -14.423 0.000 -2.557) 14.648 10.685 ( 6.076 0.000 4.572) 7.604 10.773 ( 8.231 0.000 -3.830) 9.078 10.894 ( 8.740 0.000 3.218) 9.314 10.943 ( 5.707 0.000 -2.818) 6.365 11.604 ( 5.196 0.000 10.271) 11.510 11.727 ( 0.067 0.000 20.785) 20.785 11.863 ( 3.843 0.000 -14.937) 15.424 12.113 ( -2.219 0.000 -17.019) 17.163 12.159 ( -2.686 0.000 6.836) 7.345 12.348 ( -4.955 0.000 -11.196) 12.244 13.584 ( -2.737 0.000 2.668) 3.822 13.633 ( -1.723 0.000 -1.908) 2.571 14.033 ( -0.205 0.000 7.640) 7.643 14.091 ( 0.394 0.000 -0.238) 0.460 14.115 ( 1.425 0.000 -2.228) 2.645 14.180 ( 2.208 0.000 -6.681) 7.037 14.349 ( 1.445 0.000 1.354) 1.980 14.372 ( 0.878 0.000 -0.970) 1.308 15.256 ( -1.821 0.000 5.204) 5.514 15.340 ( -4.092 0.000 -2.858) 4.991 15.776 ( 5.063 0.000 12.808) 13.772 15.961 ( 3.203 0.000 -5.131) 6.049 19.156 ( -7.063 0.000 1.177) 7.161 19.205 ( -1.009 0.000 14.621) 14.656 19.216 ( -5.541 0.000 -4.536) 7.161 19.461 ( -2.982 0.000 -10.795) 11.200 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -2.448 0.000 8.895) 9.226 2.389 ( -4.343 0.000 5.488) 6.999 2.438 ( -3.172 0.000 -6.058) 6.838 2.495 ( -8.659 0.000 -6.260) 10.685 2.847 ( 1.461 0.000 2.591) 2.975 2.979 ( 4.192 0.000 -9.202) 10.112 3.030 ( 3.046 0.000 1.967) 3.625 3.089 ( 5.686 0.000 -2.965) 6.413 3.321 ( -3.122 0.000 1.693) 3.551 3.367 ( -3.105 0.000 -2.162) 3.783 4.200 ( 10.676 0.000 6.253) 12.373 4.271 ( 2.036 0.000 -2.157) 2.966 4.990 ( 4.440 0.000 9.100) 10.126 5.186 ( 2.662 0.000 -9.669) 10.029 5.884 ( 14.834 0.000 3.995) 15.363 5.989 ( 14.909 0.000 -3.801) 15.386 6.333 ( -2.544 0.000 17.509) 17.692 6.610 ( -2.017 0.000 -8.097) 8.345 6.664 ( -11.947 0.000 20.198) 23.467 6.917 ( 6.182 0.000 14.038) 15.339 7.193 ( -19.016 0.000 -24.458) 30.981 7.246 ( 4.565 0.000 -18.521) 19.076 7.795 ( -7.869 0.000 1.251) 7.968 7.879 ( -6.913 0.000 -5.309) 8.717 7.986 ( -23.300 0.000 4.231) 23.682 8.141 ( -31.384 0.000 -11.666) 33.483 8.375 ( 13.800 0.000 9.999) 17.042 8.598 ( 10.166 0.000 -9.223) 13.727 9.559 ( -6.285 0.000 4.375) 7.658 9.653 ( -9.850 0.000 -1.646) 9.987 9.839 ( -11.860 0.000 -0.344) 11.865 9.897 ( -7.075 0.000 -4.314) 8.287 9.991 ( 13.639 0.000 15.485) 20.634 10.266 ( 6.879 0.000 -11.650) 13.529 10.862 ( 11.199 0.000 6.506) 12.952 10.979 ( 11.620 0.000 -4.358) 12.411 10.987 ( 4.249 0.000 3.888) 5.760 11.071 ( 5.121 0.000 -4.850) 7.053 11.725 ( 5.948 0.000 10.714) 12.255 11.745 ( 2.157 0.000 16.982) 17.118 11.967 ( 5.390 0.000 -12.380) 13.502 12.064 ( -2.402 0.000 -13.925) 14.131 12.110 ( -1.334 0.000 2.782) 3.085 12.231 ( -5.984 0.000 -8.305) 10.236 13.509 ( -4.675 0.000 1.788) 5.005 13.578 ( -4.035 0.000 -4.487) 6.034 14.057 ( 2.859 0.000 9.556) 9.974 14.109 ( 1.528 0.000 1.675) 2.267 14.151 ( 2.159 0.000 -2.076) 2.995 14.234 ( 3.337 0.000 -7.439) 8.153 14.387 ( 2.400 0.000 0.759) 2.517 14.397 ( 1.600 0.000 -0.224) 1.616 15.183 ( -5.713 0.000 1.613) 5.936 15.212 ( -8.715 0.000 -1.124) 8.787 15.909 ( 8.340 0.000 11.849) 14.490 16.068 ( 7.521 0.000 -3.274) 8.202 18.970 ( -11.599 0.000 1.398) 11.683 19.061 ( -10.269 0.000 -7.150) 12.513 19.180 ( -1.475 0.000 11.195) 11.292 19.383 ( -4.923 0.000 -9.009) 10.266 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -1.086 0.000 2.774) 2.979 2.259 ( -7.857 0.000 -0.055) 7.857 2.313 ( -9.608 0.000 -5.554) 11.098 2.361 ( -4.512 0.000 -8.047) 9.225 2.867 ( 1.180 0.000 7.499) 7.591 3.002 ( -1.426 0.000 -3.716) 3.981 3.129 ( 6.445 0.000 5.121) 8.232 3.201 ( 5.372 0.000 -1.777) 5.658 3.259 ( -2.565 0.000 -1.810) 3.139 3.306 ( -3.550 0.000 -4.193) 5.494 4.386 ( 9.741 0.000 6.249) 11.573 4.461 ( 14.592 0.000 0.393) 14.598 5.056 ( 2.534 0.000 6.215) 6.712 5.201 ( -1.188 0.000 -7.514) 7.607 6.077 ( -0.327 0.000 20.489) 20.492 6.289 ( 18.120 0.000 3.688) 18.491 6.341 ( 3.362 0.000 13.009) 13.437 6.590 ( 6.976 0.000 -11.042) 13.061 6.596 ( 0.126 0.000 -10.365) 10.366 6.768 ( -23.678 0.000 -24.453) 34.039 6.999 ( 2.111 0.000 13.572) 13.735 7.295 ( -2.106 0.000 -14.260) 14.414 7.568 ( -18.274 0.000 -0.136) 18.275 7.586 ( -13.151 0.000 6.138) 14.513 7.680 ( -14.545 0.000 -8.811) 17.006 7.708 ( -11.066 0.000 -4.609) 11.987 8.639 ( 13.204 0.000 8.365) 15.630 8.785 ( 9.411 0.000 -4.231) 10.318 9.441 ( -7.642 0.000 1.362) 7.763 9.493 ( -5.930 0.000 -1.614) 6.146 9.616 ( -9.254 0.000 3.779) 9.996 9.775 ( -6.230 0.000 -9.556) 11.408 10.190 ( 7.682 0.000 9.397) 12.138 10.342 ( 1.844 0.000 -5.805) 6.090 11.062 ( 8.620 0.000 6.476) 10.782 11.091 ( 6.271 0.000 1.446) 6.435 11.151 ( 3.794 0.000 -4.693) 6.035 11.162 ( 6.605 0.000 -2.618) 7.105 11.780 ( -0.391 0.000 10.064) 10.072 11.817 ( 5.181 0.000 11.871) 12.952 11.948 ( -6.650 0.000 -3.552) 7.539 12.029 ( -1.283 0.000 -8.500) 8.596 12.169 ( 5.751 0.000 -5.452) 7.925 12.192 ( 2.289 0.000 -4.775) 5.296 13.422 ( -3.962 0.000 0.040) 3.962 13.486 ( -5.111 0.000 -5.968) 7.857 14.136 ( 5.016 0.000 9.715) 10.933 14.146 ( 2.137 0.000 2.266) 3.115 14.188 ( 1.432 0.000 -1.702) 2.225 14.298 ( 2.715 0.000 -5.275) 5.933 14.431 ( 1.867 0.000 0.818) 2.038 14.434 ( 2.183 0.000 0.558) 2.253 15.029 ( -8.624 0.000 -0.514) 8.639 15.063 ( -6.855 0.000 -3.030) 7.494 16.081 ( 9.115 0.000 11.903) 14.992 16.216 ( 6.832 0.000 -0.790) 6.878 18.745 ( -10.669 0.000 -0.052) 10.669 18.842 ( -11.689 0.000 -8.991) 14.747 19.156 ( -0.845 0.000 6.504) 6.558 19.284 ( -5.080 0.000 -6.297) 8.091 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -3.171 0.000 -2.710) 4.172 2.161 ( -5.115 0.000 -4.616) 6.890 2.242 ( 0.786 0.000 -3.679) 3.762 2.282 ( -3.314 0.000 -7.398) 8.107 2.900 ( 2.252 0.000 7.788) 8.107 2.952 ( -3.046 0.000 3.988) 5.018 3.231 ( -0.318 0.000 -5.278) 5.288 3.240 ( 4.226 0.000 3.968) 5.797 3.248 ( -2.078 0.000 -5.514) 5.893 3.270 ( 1.242 0.000 1.053) 1.628 4.595 ( 9.946 0.000 9.979) 14.089 4.669 ( 4.224 0.000 4.283) 6.015 5.100 ( 2.395 0.000 1.537) 2.846 5.154 ( -3.073 0.000 -3.581) 4.719 6.046 ( 3.668 0.000 6.670) 7.612 6.300 ( -21.013 0.000 -13.930) 25.211 6.451 ( 7.381 0.000 2.738) 7.872 6.574 ( -3.784 0.000 -9.145) 9.897 6.650 ( 16.872 0.000 0.951) 16.898 6.797 ( 5.430 0.000 -10.526) 11.844 7.014 ( 0.712 0.000 11.308) 11.330 7.103 ( -10.229 0.000 5.723) 11.721 7.363 ( -5.825 0.000 4.764) 7.525 7.457 ( 1.107 0.000 -9.369) 9.434 7.468 ( -12.559 0.000 -5.009) 13.521 7.509 ( -4.710 0.000 -10.945) 11.916 8.866 ( 9.809 0.000 4.707) 10.880 8.939 ( 4.377 0.000 -2.026) 4.823 9.289 ( -5.286 0.000 7.109) 8.859 9.339 ( -8.185 0.000 5.732) 9.993 9.578 ( 2.783 0.000 -7.145) 7.667 9.660 ( -5.366 0.000 -11.785) 12.949 10.301 ( 4.022 0.000 3.949) 5.637 10.349 ( -1.045 0.000 -0.896) 1.377 11.184 ( 4.277 0.000 3.945) 5.818 11.199 ( 3.887 0.000 -1.300) 4.099 11.215 ( 2.073 0.000 -3.027) 3.669 11.226 ( 0.218 0.000 0.126) 0.252 11.759 ( -0.185 0.000 6.537) 6.540 11.813 ( -5.815 0.000 1.916) 6.123 11.924 ( 5.200 0.000 5.900) 7.864 11.999 ( -2.473 0.000 -1.323) 2.805 12.250 ( 2.364 0.000 -4.434) 5.025 12.253 ( 2.249 0.000 -4.956) 5.443 13.374 ( -0.642 0.000 -2.630) 2.707 13.401 ( -3.240 0.000 -5.113) 6.053 14.183 ( 1.555 0.000 1.121) 1.917 14.201 ( -0.160 0.000 -0.563) 0.586 14.238 ( 5.173 0.000 7.594) 9.188 14.312 ( -1.764 0.000 1.309) 2.197 14.460 ( 1.034 0.000 1.263) 1.632 14.464 ( 0.729 0.000 0.960) 1.205 14.918 ( -2.076 0.000 -3.674) 4.220 14.948 ( -4.481 0.000 -5.691) 7.243 16.237 ( 6.314 0.000 9.716) 11.587 16.295 ( 0.678 0.000 4.314) 4.367 18.606 ( -2.810 0.000 -4.061) 4.938 18.651 ( -7.054 0.000 -8.103) 10.744 19.156 ( 1.041 0.000 1.598) 1.907 19.199 ( -3.463 0.000 -2.760) 4.428 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 -4.271 5.680) 7.107 2.353 ( 0.000 -4.183 3.832) 5.673 2.466 ( 0.000 3.361 12.959) 13.388 2.756 ( 0.000 3.144 -0.987) 3.295 2.783 ( 0.000 3.146 -6.178) 6.933 2.798 ( 0.000 3.384 -14.553) 14.941 3.010 ( 0.000 3.130 -0.331) 3.147 3.048 ( 0.000 0.560 -4.852) 4.885 3.281 ( 0.000 -8.203 3.944) 9.102 3.390 ( 0.000 -9.662 -6.030) 11.390 3.885 ( 0.000 -10.987 14.517) 18.206 4.149 ( 0.000 -12.409 -11.734) 17.079 5.026 ( 0.000 13.449 10.672) 17.169 5.240 ( 0.000 11.910 -10.109) 15.622 5.583 ( 0.000 0.680 -3.445) 3.512 5.616 ( 0.000 0.770 -7.014) 7.056 6.623 ( 0.000 1.726 24.141) 24.203 6.736 ( 0.000 13.931 15.484) 20.828 6.931 ( 0.000 19.014 -5.159) 19.702 7.035 ( 0.000 -1.503 14.477) 14.555 7.164 ( 0.000 5.425 -3.986) 6.732 7.556 ( 0.000 -0.156 0.039) 0.161 7.927 ( 0.000 0.894 -0.707) 1.140 7.973 ( 0.000 1.374 -5.163) 5.343 8.188 ( 0.000 0.158 -10.153) 10.155 8.214 ( 0.000 0.028 -20.027) 20.027 8.927 ( 0.000 -7.362 15.013) 16.721 9.021 ( 0.000 2.977 4.668) 5.536 9.504 ( 0.000 1.072 -6.967) 7.050 9.561 ( 0.000 -8.746 -10.966) 14.026 9.723 ( 0.000 5.662 6.393) 8.540 9.888 ( 0.000 3.320 -8.844) 9.447 10.176 ( 0.000 -1.175 5.473) 5.598 10.275 ( 0.000 -2.983 -3.659) 4.721 10.643 ( 0.000 -7.786 7.682) 10.938 10.698 ( 0.000 2.648 0.966) 2.819 10.738 ( 0.000 4.082 -1.260) 4.273 10.830 ( 0.000 -1.832 -9.636) 9.808 11.485 ( 0.000 -6.340 11.307) 12.963 11.665 ( 0.000 -5.774 3.386) 6.694 11.910 ( 0.000 6.872 -0.334) 6.880 12.139 ( 0.000 0.358 -13.682) 13.686 12.189 ( 0.000 0.023 8.002) 8.002 12.402 ( 0.000 -0.091 -12.312) 12.313 13.651 ( 0.000 3.665 2.298) 4.326 13.679 ( 0.000 2.657 -0.589) 2.722 14.059 ( 0.000 1.309 2.207) 2.565 14.082 ( 0.000 -1.259 -1.948) 2.320 14.108 ( 0.000 1.835 2.577) 3.164 14.201 ( 0.000 3.728 -4.775) 6.058 14.343 ( 0.000 0.848 0.715) 1.110 14.357 ( 0.000 -0.627 -0.776) 0.998 15.233 ( 0.000 -3.217 5.398) 6.284 15.322 ( 0.000 -4.805 -3.261) 5.807 15.748 ( 0.000 2.093 13.186) 13.351 15.932 ( 0.000 -0.347 -5.025) 5.037 19.182 ( 0.000 -2.914 13.975) 14.276 19.207 ( 0.000 -1.524 0.290) 1.552 19.214 ( 0.000 -4.655 -1.362) 4.850 19.444 ( 0.000 -4.239 -10.939) 11.732 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -3.086 -2.597 5.499) 6.820 2.371 ( -0.053 -4.275 -2.903) 5.167 2.482 ( 1.364 3.885 13.170) 13.798 2.706 ( -3.384 3.173 -4.642) 6.562 2.822 ( 2.316 1.559 -0.043) 2.792 2.877 ( 5.450 2.540 -8.458) 10.378 3.021 ( 0.135 -0.213 -1.859) 1.876 3.069 ( 3.165 5.016 -5.085) 7.813 3.268 ( -0.650 -7.690 2.829) 8.220 3.353 ( -3.263 -8.442 -4.801) 10.245 3.901 ( 2.136 -12.358 11.958) 17.329 4.121 ( -2.557 -12.588 -9.963) 16.256 5.082 ( 5.450 14.435 10.243) 18.520 5.290 ( 4.816 12.959 -9.927) 17.020 5.649 ( 7.556 0.143 -0.715) 7.591 5.726 ( 10.127 -0.078 -7.633) 12.682 6.483 ( -8.671 4.064 21.984) 23.979 6.814 ( -8.522 8.759 -5.035) 13.217 6.870 ( 7.004 9.647 19.992) 23.276 6.970 ( -8.049 7.268 21.910) 24.447 7.209 ( 5.396 5.759 -17.603) 19.291 7.478 ( -9.178 0.341 -10.679) 14.086 7.896 ( -3.849 -0.216 -1.227) 4.045 7.972 ( -4.136 -0.889 -9.812) 10.686 8.096 ( -0.701 -1.480 2.992) 3.411 8.325 ( 1.987 -3.751 -15.150) 15.733 8.616 ( -15.039 8.211 11.182) 20.461 8.874 ( -19.353 7.448 -13.218) 24.591 9.467 ( 4.690 -7.621 9.151) 12.799 9.654 ( -0.720 -9.827 -6.300) 11.695 9.840 ( 8.660 4.194 9.852) 13.771 9.950 ( -6.017 -5.768 -0.785) 8.372 10.088 ( -8.092 1.804 0.420) 8.301 10.210 ( 8.737 9.396 -10.681) 16.694 10.731 ( 5.821 2.253 3.553) 7.182 10.789 ( 7.592 -1.381 -1.468) 7.855 10.828 ( 8.189 -2.918 2.833) 9.143 10.903 ( 6.407 -1.759 -5.168) 8.417 11.525 ( 3.974 -6.971 10.474) 13.194 11.694 ( 2.881 -5.084 4.936) 7.649 11.891 ( -1.398 4.100 -2.881) 5.203 12.102 ( -3.312 -0.563 -11.715) 12.187 12.161 ( -2.680 -0.163 5.418) 6.046 12.348 ( -5.394 -0.546 -11.134) 12.384 13.631 ( -2.250 4.098 1.779) 5.002 13.666 ( -1.429 2.914 -1.485) 3.569 14.047 ( -0.745 0.919 4.259) 4.420 14.083 ( 1.082 -0.545 -0.781) 1.442 14.133 ( 1.360 1.707 1.005) 2.403 14.218 ( 1.785 3.326 -5.109) 6.352 14.356 ( 1.333 0.639 0.522) 1.568 14.368 ( 1.123 -0.294 -0.822) 1.422 15.233 ( -0.594 -2.238 4.359) 4.936 15.303 ( -2.550 -3.441 -2.405) 4.912 15.778 ( 3.306 0.467 12.179) 12.628 15.945 ( 1.827 -1.453 -4.061) 4.684 19.139 ( -6.466 -1.382 0.029) 6.612 19.166 ( -4.964 -4.202 -2.277) 6.891 19.173 ( -1.373 -2.818 12.974) 13.347 19.414 ( -3.070 -4.329 -10.327) 11.611 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -1.553 -0.600 2.973) 3.408 2.353 ( -1.752 -2.025 -8.405) 8.821 2.484 ( -2.315 5.482 9.414) 11.137 2.619 ( -5.955 5.846 -2.472) 8.704 2.844 ( 0.237 -1.505 4.726) 4.966 2.943 ( 0.969 -0.805 -6.781) 6.897 3.034 ( 1.966 -1.684 2.948) 3.923 3.133 ( 2.310 1.749 -5.292) 6.034 3.274 ( 0.400 -3.118 -0.205) 3.150 3.310 ( -0.079 -4.190 -3.112) 5.220 3.993 ( 7.704 -15.690 5.143) 18.220 4.084 ( -0.043 -14.225 -4.345) 14.874 5.211 ( 7.104 17.634 9.075) 21.066 5.398 ( 5.469 16.432 -9.062) 19.546 5.865 ( 13.972 -1.028 4.078) 14.591 5.971 ( 14.422 -1.170 -4.155) 15.054 6.346 ( -4.960 1.042 21.118) 21.717 6.641 ( -9.053 1.388 5.838) 10.861 6.761 ( -7.898 8.745 1.648) 11.898 7.029 ( 5.514 8.652 12.989) 16.552 7.200 ( -18.735 0.770 -22.923) 29.615 7.297 ( 2.259 3.230 -11.666) 12.314 7.719 ( -13.966 -5.420 -0.528) 14.990 7.820 ( -10.965 -3.372 -6.242) 13.060 8.051 ( -8.106 5.188 0.020) 9.624 8.145 ( -15.157 4.215 -8.835) 18.043 8.521 ( 5.089 10.700 10.668) 15.943 8.728 ( 4.065 10.002 -7.766) 13.299 9.498 ( -1.492 -4.895 2.801) 5.834 9.574 ( -6.702 -6.854 -1.240) 9.666 9.768 ( -9.640 -4.812 -0.157) 10.776 9.812 ( -6.316 -6.902 -3.067) 9.845 10.158 ( 9.619 12.641 12.207) 20.033 10.386 ( 6.029 9.965 -9.632) 15.114 10.891 ( 10.242 1.856 5.524) 11.784 10.942 ( 5.476 -3.886 3.760) 7.696 10.983 ( 10.970 -0.314 -2.706) 11.303 11.043 ( 6.906 -1.473 -5.594) 9.009 11.613 ( 4.335 -8.083 10.948) 14.282 11.752 ( 2.201 -2.423 11.093) 11.566 11.890 ( 1.711 -4.957 -11.116) 12.291 12.032 ( -3.738 -2.396 -10.295) 11.212 12.106 ( -2.315 -1.119 2.277) 3.434 12.219 ( -6.915 -1.855 -7.374) 10.278 13.568 ( -3.961 5.163 0.919) 6.572 13.620 ( -3.391 3.731 -3.789) 6.307 14.049 ( 0.935 -0.744 4.519) 4.674 14.113 ( 1.582 -1.921 -1.619) 2.969 14.162 ( 2.244 3.389 3.851) 5.599 14.269 ( 3.343 2.799 -4.783) 6.472 14.392 ( 2.257 0.225 0.308) 2.289 14.400 ( 2.106 0.511 -0.673) 2.270 15.192 ( -3.758 0.730 1.414) 4.081 15.212 ( -6.613 0.094 -0.528) 6.634 15.874 ( 6.418 -3.027 11.138) 13.207 16.017 ( 5.545 -4.628 -2.490) 7.640 18.966 ( -10.787 -0.132 0.120) 10.789 19.026 ( -9.257 -2.903 -5.382) 11.095 19.143 ( -1.783 -3.366 10.303) 10.984 19.333 ( -5.081 -4.573 -8.647) 11.023 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.198 2.051 -0.885) 2.242 2.308 ( -2.781 2.004 -8.629) 9.285 2.386 ( -6.691 7.331 4.760) 11.008 2.477 ( -8.290 7.739 -3.280) 11.806 2.850 ( 0.923 -2.099 6.797) 7.173 2.955 ( 0.041 -3.775 -2.722) 4.654 3.082 ( 2.724 -4.556 3.907) 6.591 3.159 ( 0.381 -4.438 -3.029) 5.386 3.277 ( 0.546 1.470 -0.936) 1.826 3.320 ( 0.409 1.802 -4.042) 4.444 4.136 ( 6.577 -18.565 3.960) 20.090 4.189 ( 10.042 -19.970 -0.543) 22.359 5.330 ( 5.059 21.132 6.538) 22.691 5.468 ( 1.406 20.731 -6.855) 21.880 6.083 ( 3.042 0.901 17.363) 17.651 6.236 ( 10.588 -2.201 9.325) 14.279 6.322 ( 7.319 -2.759 7.261) 10.672 6.561 ( 2.786 0.390 -6.971) 7.517 6.692 ( 1.063 3.811 -11.847) 12.490 6.770 ( -23.655 0.631 -24.470) 34.040 7.097 ( -0.326 4.801 8.896) 10.114 7.226 ( -10.394 -6.689 -2.207) 12.556 7.489 ( -14.910 -4.802 -2.627) 15.883 7.526 ( -8.318 -1.719 -6.443) 10.661 7.857 ( -7.518 18.821 2.446) 20.414 7.960 ( -8.289 16.683 -6.172) 19.625 8.699 ( 11.206 5.159 9.419) 15.521 8.853 ( 7.349 5.772 -4.397) 10.327 9.425 ( -6.567 -2.071 1.174) 6.985 9.459 ( -4.926 -2.960 -0.453) 5.765 9.593 ( -6.768 -1.911 1.128) 7.122 9.714 ( -4.450 -5.085 -8.141) 10.580 10.312 ( 6.349 10.893 8.887) 15.425 10.452 ( 1.468 9.727 -4.929) 11.003 11.052 ( 6.689 -3.268 3.290) 8.139 11.092 ( 8.792 1.205 3.392) 9.500 11.135 ( 4.715 -0.051 -3.931) 6.139 11.186 ( 7.211 1.678 -2.721) 7.888 11.677 ( 1.882 -8.745 11.070) 14.232 11.766 ( -0.470 -3.798 9.928) 10.640 11.911 ( -1.486 -6.157 -8.984) 10.992 11.953 ( -3.415 -4.838 -6.904) 9.095 12.093 ( 1.311 -6.713 -1.601) 7.024 12.146 ( -0.343 -4.735 -4.382) 6.461 13.493 ( -3.415 6.289 -0.550) 7.178 13.542 ( -4.272 5.057 -5.184) 8.408 14.074 ( 1.500 -3.268 3.499) 5.017 14.131 ( 0.353 -4.384 -2.150) 4.895 14.228 ( 4.222 4.703 6.091) 8.777 14.333 ( 2.825 2.478 -3.162) 4.911 14.434 ( 1.914 0.250 0.655) 2.038 14.442 ( 2.004 0.666 0.014) 2.112 15.077 ( -6.305 4.593 0.008) 7.800 15.103 ( -5.007 4.039 -2.012) 6.740 16.012 ( 7.487 -6.375 10.928) 14.701 16.132 ( 5.399 -7.827 -0.316) 9.514 18.758 ( -9.873 1.348 -0.876) 10.003 18.829 ( -10.386 -0.858 -7.465) 12.819 19.111 ( -1.210 -4.027 5.790) 7.156 19.231 ( -5.205 -4.868 -6.139) 9.406 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.045 6.017 -2.431) 6.490 2.254 ( -2.537 8.920 -1.913) 9.469 2.294 ( -0.912 4.483 -3.422) 5.713 2.341 ( -5.008 6.448 -5.728) 9.973 2.882 ( 2.260 -1.935 6.670) 7.304 2.930 ( -2.355 -2.280 2.899) 4.376 3.125 ( 1.517 -6.437 -1.054) 6.696 3.148 ( -1.090 -6.397 -2.778) 7.059 3.305 ( 1.962 2.771 0.080) 3.396 3.327 ( -0.049 2.562 -1.642) 3.043 4.278 ( 6.692 -22.606 6.608) 24.484 4.328 ( 2.655 -23.741 2.466) 24.016 5.411 ( 3.437 22.400 2.330) 22.782 5.460 ( -1.718 22.622 -2.608) 22.837 6.071 ( 3.022 2.362 7.751) 8.648 6.278 ( -14.041 -0.816 -4.904) 14.895 6.453 ( 3.419 0.367 -5.387) 6.391 6.546 ( 2.327 -0.968 -8.622) 8.982 6.658 ( 10.503 -0.088 -0.501) 10.515 6.782 ( 3.499 -1.047 -9.848) 10.504 6.993 ( -7.719 -7.826 2.926) 11.375 7.009 ( -8.862 -4.116 1.971) 9.968 7.322 ( 0.662 -2.160 4.949) 5.440 7.423 ( -6.473 -2.934 -4.451) 8.386 7.769 ( -1.214 25.584 -2.089) 25.698 7.815 ( -5.681 24.290 -5.407) 25.525 8.907 ( 9.262 3.382 4.301) 10.757 8.975 ( 3.554 3.080 -2.338) 5.252 9.294 ( -5.251 0.542 5.398) 7.550 9.321 ( -6.840 -1.611 5.867) 9.154 9.569 ( 2.319 -1.068 -6.289) 6.788 9.633 ( -3.912 -2.497 -10.112) 11.126 10.408 ( 3.696 9.853 3.940) 11.237 10.454 ( -1.117 9.610 -0.637) 9.696 11.163 ( 3.987 -2.563 -0.719) 4.794 11.189 ( 1.226 -1.434 -3.464) 3.944 11.233 ( 5.003 3.642 3.350) 7.037 11.271 ( 1.380 3.324 0.093) 3.600 11.674 ( -0.422 -7.571 6.667) 10.096 11.719 ( -4.496 -7.268 2.693) 8.960 11.892 ( 2.328 -3.622 3.785) 5.733 11.934 ( -1.003 -6.038 -0.747) 6.166 12.131 ( 1.813 -11.277 -4.852) 12.410 12.150 ( -0.141 -9.125 -5.207) 10.507 13.451 ( -0.647 6.797 -2.693) 7.340 13.472 ( -2.650 6.307 -4.625) 8.258 14.104 ( 1.496 -5.181 1.825) 5.693 14.127 ( -0.787 -5.542 -0.485) 5.619 14.309 ( 3.859 4.169 4.818) 7.449 14.358 ( -0.687 2.972 0.652) 3.120 14.460 ( 0.865 0.023 1.258) 1.527 14.467 ( 0.403 0.213 0.694) 0.830 14.999 ( -1.369 7.587 -2.194) 8.016 15.020 ( -3.141 6.959 -3.730) 8.497 16.142 ( 5.329 -8.835 8.858) 13.598 16.193 ( 0.386 -9.488 4.108) 10.346 18.627 ( -2.801 2.154 -3.981) 5.323 18.662 ( -6.038 1.241 -7.078) 9.386 19.105 ( 0.774 -4.650 1.155) 4.854 19.146 ( -3.407 -4.958 -2.885) 6.672 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 2.834 0.221) 2.842 2.333 ( 0.000 3.940 -2.027) 4.431 2.588 ( 0.000 5.960 10.778) 12.317 2.710 ( 0.000 -7.113 6.251) 9.469 2.794 ( 0.000 -3.047 -2.104) 3.703 2.903 ( 0.000 -13.682 -3.287) 14.071 2.904 ( 0.000 5.307 -7.148) 8.902 3.093 ( 0.000 2.714 -7.194) 7.689 3.120 ( 0.000 -3.562 3.253) 4.824 3.264 ( 0.000 -0.590 -7.166) 7.191 3.679 ( 0.000 -7.121 8.287) 10.926 3.879 ( 0.000 -12.454 -10.673) 16.402 5.311 ( 0.000 12.053 6.692) 13.786 5.463 ( 0.000 7.497 -8.687) 11.475 5.597 ( 0.000 0.608 -1.468) 1.589 5.635 ( 0.000 0.726 -6.009) 6.053 6.682 ( 0.000 4.031 23.208) 23.555 6.893 ( 0.000 -3.216 16.526) 16.836 7.178 ( 0.000 15.743 17.429) 23.486 7.340 ( 0.000 12.664 -1.190) 12.720 7.386 ( 0.000 17.189 -3.446) 17.531 7.559 ( 0.000 3.565 -2.099) 4.137 7.914 ( 0.000 -3.314 -1.750) 3.748 7.976 ( 0.000 -1.954 -6.997) 7.265 8.221 ( 0.000 3.499 -7.726) 8.481 8.251 ( 0.000 4.401 -9.501) 10.471 8.737 ( 0.000 -9.130 5.958) 10.902 8.979 ( 0.000 -9.304 -11.173) 14.539 9.419 ( 0.000 -2.891 1.596) 3.303 9.483 ( 0.000 -2.715 -2.804) 3.903 9.889 ( 0.000 8.399 2.250) 8.695 9.971 ( 0.000 4.049 -5.207) 6.596 10.167 ( 0.000 0.583 3.307) 3.358 10.204 ( 0.000 -3.087 -0.011) 3.087 10.462 ( 0.000 -7.840 4.767) 9.176 10.575 ( 0.000 -9.673 -5.918) 11.340 10.857 ( 0.000 7.152 2.993) 7.753 10.961 ( 0.000 9.592 -7.448) 12.144 11.313 ( 0.000 -8.947 9.966) 13.393 11.497 ( 0.000 -9.966 -5.584) 11.424 12.081 ( 0.000 8.799 0.619) 8.821 12.153 ( 0.000 0.933 -5.385) 5.465 12.187 ( 0.000 -0.339 6.643) 6.651 12.370 ( 0.000 -3.465 -10.152) 10.727 13.739 ( 0.000 3.936 0.346) 3.952 13.744 ( 0.000 3.135 -0.314) 3.151 14.057 ( 0.000 -0.981 -0.123) 0.988 14.071 ( 0.000 -0.523 -1.563) 1.649 14.175 ( 0.000 4.532 6.634) 8.035 14.291 ( 0.000 4.275 -4.646) 6.313 14.335 ( 0.000 -1.612 1.232) 2.029 14.367 ( 0.000 1.035 -1.481) 1.807 15.152 ( 0.000 -3.772 2.942) 4.784 15.200 ( 0.000 -6.000 -1.610) 6.212 15.809 ( 0.000 3.447 9.578) 10.180 15.917 ( 0.000 -1.197 -1.124) 1.642 19.111 ( 0.000 -3.284 11.198) 11.670 19.113 ( 0.000 -4.087 2.863) 4.990 19.185 ( 0.000 0.039 -3.144) 3.144 19.332 ( 0.000 -5.913 -9.391) 11.097 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.454 4.722 0.597) 4.781 2.359 ( 1.801 3.935 -4.560) 6.286 2.588 ( -0.018 4.928 9.614) 10.804 2.690 ( -1.262 -4.990 2.659) 5.793 2.811 ( 0.478 -3.173 5.023) 5.960 2.900 ( -0.183 -11.250 1.736) 11.385 2.946 ( 3.045 2.366 -9.994) 10.712 3.083 ( -1.927 -5.709 -9.335) 11.111 3.167 ( 5.374 1.408 0.847) 5.619 3.244 ( -1.133 0.730 -4.132) 4.346 3.675 ( 0.006 -7.228 6.898) 9.991 3.855 ( -2.388 -11.763 -9.817) 15.506 5.387 ( 7.679 12.690 6.630) 16.247 5.536 ( 7.491 8.398 -8.351) 14.013 5.660 ( 6.921 1.003 0.313) 7.000 5.727 ( 8.876 0.009 -6.315) 10.893 6.581 ( -9.041 5.410 24.247) 26.437 6.822 ( -7.794 -3.823 15.076) 17.397 7.165 ( -3.699 9.438 11.344) 15.213 7.224 ( -7.103 16.836 2.040) 18.387 7.381 ( -2.379 5.778 -1.245) 6.371 7.517 ( -5.924 6.905 -14.385) 17.021 7.837 ( -8.283 -5.175 -3.263) 10.297 7.925 ( -6.646 -4.370 -9.421) 12.330 8.177 ( 1.436 8.925 2.468) 9.370 8.344 ( 4.742 7.139 -9.166) 12.548 8.689 ( -2.629 -2.731 7.894) 8.757 8.954 ( -3.420 -3.169 -13.834) 14.599 9.389 ( -0.491 1.341 3.737) 4.001 9.493 ( -1.551 -2.797 -4.697) 5.682 9.761 ( -9.015 -8.479 3.526) 12.869 9.812 ( -9.682 -7.600 -1.232) 12.370 10.235 ( 7.768 9.460 7.515) 14.364 10.402 ( 12.737 7.941 -8.552) 17.274 10.616 ( 12.841 -8.666 5.591) 16.470 10.694 ( 9.920 -6.450 -2.840) 12.169 10.883 ( 2.753 6.124 3.675) 7.654 10.997 ( 3.370 8.793 -7.461) 12.014 11.335 ( 2.438 -10.235 9.680) 14.297 11.521 ( 2.577 -10.644 -6.063) 12.518 12.019 ( -5.990 7.167 0.658) 9.364 12.102 ( -4.775 0.807 -5.216) 7.118 12.148 ( -3.786 -1.107 4.957) 6.335 12.302 ( -6.639 -4.074 -8.769) 11.729 13.729 ( -1.187 4.422 -0.090) 4.580 13.738 ( -0.671 3.547 -0.914) 3.724 14.042 ( -1.165 -0.913 0.913) 1.740 14.072 ( -0.180 -1.177 -1.975) 2.306 14.197 ( 2.232 4.534 5.842) 7.724 14.303 ( 1.211 4.350 -3.782) 5.890 14.348 ( 1.433 -1.388 0.801) 2.150 14.382 ( 1.428 0.913 -1.773) 2.453 15.172 ( 1.830 -2.950 2.727) 4.415 15.211 ( 0.908 -4.669 -1.086) 4.879 15.804 ( -0.325 2.013 9.217) 9.440 15.906 ( -0.924 -2.210 -0.755) 2.512 19.075 ( -3.889 -3.510 1.561) 5.467 19.091 ( -2.384 -3.302 8.086) 9.054 19.135 ( -4.762 0.325 -0.823) 4.844 19.298 ( -3.411 -6.166 -8.798) 11.272 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.841 6.809 0.172) 6.863 2.389 ( 1.138 5.565 -7.569) 9.464 2.586 ( -0.586 3.815 8.080) 8.954 2.675 ( -0.474 -1.214 0.895) 1.580 2.784 ( -2.995 -3.376 8.427) 9.559 2.889 ( -1.833 -9.260 4.088) 10.287 2.954 ( -1.342 -2.047 -8.541) 8.885 3.050 ( -1.126 -7.112 -8.380) 11.048 3.249 ( 3.626 0.851 0.580) 3.769 3.303 ( 5.595 2.321 -3.171) 6.837 3.698 ( 2.768 -9.895 2.847) 10.662 3.801 ( -2.646 -11.310 -6.493) 13.307 5.588 ( 12.248 15.593 6.696) 20.928 5.732 ( 11.844 12.909 -7.552) 19.077 5.858 ( 13.120 0.338 4.134) 13.760 5.954 ( 14.097 -0.502 -4.328) 14.755 6.388 ( -9.909 3.706 24.071) 26.293 6.633 ( -9.866 -2.866 11.281) 15.258 6.955 ( -13.096 8.458 -9.817) 18.424 7.171 ( -6.600 0.259 4.352) 7.910 7.224 ( -12.233 4.704 -10.142) 16.572 7.337 ( -11.095 0.930 -7.913) 13.659 7.641 ( -10.049 -2.365 -3.036) 10.761 7.715 ( -15.070 -5.703 -9.324) 18.616 8.267 ( 6.216 13.945 4.914) 16.039 8.393 ( 0.266 19.640 -7.593) 21.059 8.689 ( 3.452 2.556 13.371) 14.043 8.920 ( 1.120 5.906 -7.704) 9.771 9.386 ( -0.425 -5.791 -0.470) 5.826 9.412 ( -5.715 -6.547 -0.530) 8.707 9.646 ( -3.137 -7.736 -1.383) 8.462 9.661 ( -6.033 -5.254 -3.177) 8.607 10.430 ( 10.355 11.201 10.106) 18.298 10.596 ( 7.389 6.638 -6.102) 11.657 10.842 ( 8.242 -2.201 6.472) 10.708 10.899 ( 10.910 -1.611 -0.427) 11.037 10.986 ( 8.982 2.243 1.754) 9.422 11.083 ( 5.812 5.811 -6.794) 10.663 11.399 ( 3.575 -12.052 9.417) 15.707 11.590 ( 4.208 -12.056 -6.600) 14.374 11.878 ( -7.947 3.456 1.167) 8.744 11.989 ( -6.678 -0.892 -7.038) 9.743 12.062 ( -4.623 -3.012 2.234) 5.952 12.138 ( -9.589 -5.622 -4.963) 12.173 13.694 ( -2.271 5.914 -0.636) 6.367 13.715 ( -1.787 4.806 -2.539) 5.722 14.018 ( -1.327 -2.104 1.262) 2.789 14.057 ( -1.377 -3.194 -2.430) 4.244 14.255 ( 3.570 4.819 5.211) 7.945 14.337 ( 2.274 3.228 -1.398) 4.189 14.389 ( 2.609 -0.440 -0.283) 2.661 14.417 ( 2.092 0.644 -1.889) 2.891 15.208 ( 1.465 0.817 1.943) 2.567 15.222 ( 0.196 0.713 0.287) 0.793 15.806 ( 0.768 -2.647 8.559) 8.992 15.897 ( 0.319 -6.116 -0.187) 6.127 18.967 ( -7.268 -1.383 -1.127) 7.484 18.981 ( -8.216 1.053 -2.674) 8.704 19.059 ( -3.074 -3.772 7.372) 8.833 19.208 ( -5.633 -6.800 -7.357) 11.493 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.078 7.705 -0.463) 7.993 2.405 ( 0.758 7.111 -6.985) 9.997 2.540 ( -4.152 7.212 5.874) 10.186 2.626 ( -5.322 5.880 -0.354) 7.938 2.756 ( 1.181 -6.814 6.464) 9.466 2.850 ( -0.483 -7.258 -1.205) 7.373 2.955 ( 0.817 -6.279 0.364) 6.342 3.030 ( -1.342 -7.271 -4.797) 8.813 3.320 ( 3.321 2.868 0.572) 4.425 3.374 ( 1.685 2.895 -3.687) 4.981 3.771 ( 2.765 -14.315 0.271) 14.582 3.786 ( 2.828 -16.016 -1.291) 16.315 5.796 ( 7.684 20.080 6.967) 22.600 5.929 ( 6.786 21.515 -5.887) 23.316 6.122 ( 11.894 2.275 10.397) 15.960 6.211 ( 0.449 -0.483 16.767) 16.780 6.263 ( 10.268 -2.026 3.791) 11.132 6.545 ( 2.687 -3.299 -4.928) 6.511 6.743 ( -7.039 1.463 -15.477) 17.066 6.790 ( -22.907 0.909 -21.977) 31.757 7.089 ( -12.352 -3.010 1.068) 12.758 7.122 ( -8.145 -3.416 1.775) 9.009 7.389 ( -15.972 -3.910 -0.596) 16.455 7.467 ( -9.137 -4.745 -5.862) 11.847 8.365 ( 3.058 23.101 2.926) 23.485 8.391 ( 0.190 26.041 -0.522) 26.046 8.808 ( 8.099 3.827 10.832) 14.056 8.976 ( 3.836 4.503 -5.245) 7.906 9.316 ( -3.752 -7.665 3.804) 9.344 9.384 ( -0.184 -5.847 -3.412) 6.773 9.546 ( -5.620 -1.965 -1.820) 6.226 9.604 ( -2.081 -4.266 -6.803) 8.295 10.590 ( 6.253 13.728 8.077) 17.112 10.693 ( 2.862 11.010 -2.158) 11.579 10.975 ( 6.841 -2.708 5.862) 9.407 11.071 ( 6.520 -0.797 -2.819) 7.147 11.185 ( 10.189 2.178 0.519) 10.432 11.222 ( 7.573 2.442 -2.714) 8.407 11.458 ( 2.474 -11.335 9.365) 14.910 11.673 ( 4.484 -12.133 -5.225) 13.950 11.728 ( -7.566 -1.834 -0.343) 7.792 11.857 ( -6.570 -3.788 -6.894) 10.249 11.941 ( -7.999 -6.782 1.978) 10.672 12.001 ( -4.155 -8.321 -3.639) 9.987 13.650 ( -2.012 7.826 -1.404) 8.201 13.674 ( -2.301 6.857 -3.643) 8.099 13.993 ( -1.195 -4.563 0.757) 4.777 14.024 ( -1.860 -5.605 -2.232) 6.313 14.326 ( 3.659 4.292 4.499) 7.215 14.385 ( 2.407 2.225 -0.358) 3.298 14.435 ( 1.900 -0.210 0.197) 1.922 14.454 ( 1.490 0.178 -0.954) 1.778 15.215 ( -0.019 8.100 1.755) 8.288 15.234 ( 0.539 7.997 0.087) 8.016 15.837 ( 2.368 -9.369 8.196) 12.671 15.915 ( 1.162 -11.850 0.787) 11.933 18.809 ( -7.896 3.503 -2.458) 8.981 18.828 ( -7.462 1.438 -4.166) 8.666 19.003 ( -2.467 -5.741 3.733) 7.279 19.096 ( -5.665 -7.543 -5.509) 10.924 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 2.264 7.921 0.583) 8.259 2.415 ( -0.828 7.200 -0.862) 7.298 2.473 ( -0.661 10.750 -0.745) 10.796 2.523 ( -4.496 9.043 -2.620) 10.433 2.802 ( 2.885 -5.782 4.822) 8.062 2.845 ( -1.136 -5.835 1.759) 6.199 2.971 ( 0.995 -8.042 -1.882) 8.319 2.998 ( -1.725 -7.769 -3.392) 8.651 3.371 ( 1.760 4.072 0.183) 4.440 3.386 ( -0.016 3.754 -1.267) 3.962 3.820 ( 2.802 -19.015 2.864) 19.433 3.844 ( 1.087 -20.397 0.804) 20.442 5.893 ( 3.988 19.973 3.091) 20.601 5.961 ( -2.263 22.751 -2.943) 23.052 6.137 ( 1.295 3.353 7.521) 8.336 6.289 ( -8.050 1.812 -0.450) 8.263 6.464 ( 5.299 1.002 -3.768) 6.579 6.571 ( 9.610 3.771 -8.738) 13.525 6.645 ( 5.160 -0.820 -3.347) 6.205 6.749 ( 4.091 -2.186 -9.275) 10.370 6.835 ( -10.192 -5.530 2.475) 11.857 6.929 ( -12.121 -1.890 -6.024) 13.667 7.189 ( -2.735 -10.829 4.136) 11.910 7.283 ( -9.391 -10.297 -4.781) 14.734 8.390 ( 0.620 29.909 2.352) 30.008 8.398 ( -0.068 28.370 1.490) 28.410 8.968 ( 7.317 0.991 4.393) 8.592 9.035 ( 0.973 1.152 -2.901) 3.269 9.269 ( -0.525 -2.240 5.712) 6.158 9.326 ( -5.426 2.180 0.552) 5.873 9.507 ( 1.690 -5.567 -4.638) 7.440 9.557 ( -2.775 -4.886 -8.146) 9.896 10.680 ( 3.233 15.003 4.914) 16.114 10.715 ( -0.393 14.141 1.426) 14.218 11.098 ( 5.215 -3.569 1.964) 6.618 11.146 ( 0.802 -2.715 -2.553) 3.812 11.336 ( 4.779 4.867 0.654) 6.852 11.348 ( 5.118 3.856 0.581) 6.434 11.487 ( 1.164 -8.247 6.063) 10.302 11.580 ( -7.553 -4.663 -0.083) 8.877 11.766 ( 1.505 -9.369 -2.189) 9.739 11.773 ( 0.965 -7.561 -0.289) 7.628 11.829 ( -1.764 -14.726 -1.604) 14.918 11.912 ( -5.478 -12.064 -6.007) 14.548 13.625 ( -0.425 9.075 -2.540) 9.433 13.636 ( -1.435 8.716 -3.551) 9.521 13.979 ( -0.045 -6.781 -0.069) 6.782 13.992 ( -1.311 -7.219 -1.308) 7.453 14.388 ( 2.570 3.211 2.869) 5.014 14.414 ( 0.178 2.327 0.435) 2.374 14.459 ( 0.825 -0.273 1.256) 1.527 14.469 ( 0.050 -0.145 0.359) 0.390 15.222 ( 0.715 13.270 0.870) 13.318 15.235 ( -0.409 13.208 -0.190) 13.216 15.889 ( 2.652 -14.623 6.709) 16.306 15.923 ( -0.657 -15.488 3.479) 15.887 18.701 ( -2.723 4.947 -3.706) 6.755 18.713 ( -3.804 3.942 -4.788) 7.276 18.976 ( -0.097 -7.242 -0.110) 7.244 19.006 ( -3.283 -7.873 -3.185) 9.105 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 -7.889 3.766) 8.741 2.453 ( 0.000 7.889 3.766) 8.741 2.543 ( 0.000 -11.686 -2.524) 11.955 2.543 ( 0.000 11.686 -2.524) 11.955 2.746 ( 0.000 -5.448 1.609) 5.680 2.746 ( 0.000 5.448 1.609) 5.680 3.012 ( 0.000 -4.583 -5.039) 6.811 3.012 ( 0.000 4.583 -5.039) 6.811 3.219 ( 0.000 -5.113 0.276) 5.121 3.219 ( 0.000 5.113 0.276) 5.121 3.667 ( 0.000 -6.408 -4.774) 7.991 3.667 ( 0.000 6.408 -4.774) 7.991 5.490 ( 0.000 -4.549 -0.145) 4.551 5.490 ( 0.000 4.549 -0.145) 4.551 5.628 ( 0.000 -1.657 -4.661) 4.947 5.628 ( 0.000 1.657 -4.661) 4.947 6.787 ( 0.000 -5.651 18.997) 19.820 6.787 ( 0.000 5.651 18.997) 19.820 7.401 ( 0.000 -6.488 12.678) 14.242 7.401 ( 0.000 6.488 12.678) 14.242 7.665 ( 0.000 -11.387 -5.750) 12.757 7.665 ( 0.000 11.387 -5.750) 12.757 7.875 ( 0.000 -6.682 -5.124) 8.421 7.875 ( 0.000 6.682 -5.124) 8.421 8.313 ( 0.000 -2.792 3.155) 4.213 8.313 ( 0.000 2.792 3.155) 4.213 8.711 ( 0.000 -10.561 -15.450) 18.715 8.711 ( 0.000 10.561 -15.450) 18.715 9.423 ( 0.000 -2.224 1.167) 2.512 9.423 ( 0.000 2.224 1.167) 2.512 10.007 ( 0.000 -1.935 -0.165) 1.942 10.007 ( 0.000 1.935 -0.165) 1.942 10.177 ( 0.000 -0.283 3.192) 3.204 10.177 ( 0.000 0.283 3.192) 3.204 10.408 ( 0.000 -4.203 -3.632) 5.555 10.408 ( 0.000 4.203 -3.632) 5.555 11.021 ( 0.000 -6.932 4.918) 8.499 11.021 ( 0.000 6.932 4.918) 8.499 11.280 ( 0.000 -8.903 -5.717) 10.581 11.280 ( 0.000 8.903 -5.717) 10.581 12.173 ( 0.000 -0.856 1.562) 1.781 12.173 ( 0.000 0.856 1.562) 1.781 12.255 ( 0.000 -7.266 -4.306) 8.446 12.255 ( 0.000 7.266 -4.306) 8.446 13.784 ( 0.000 -0.050 -0.672) 0.674 13.784 ( 0.000 0.050 -0.672) 0.674 14.052 ( 0.000 -0.684 0.169) 0.704 14.052 ( 0.000 0.684 0.169) 0.704 14.273 ( 0.000 -4.136 3.751) 5.584 14.273 ( 0.000 4.136 3.751) 5.584 14.363 ( 0.000 -1.819 -3.045) 3.547 14.363 ( 0.000 1.819 -3.045) 3.547 15.116 ( 0.000 -1.153 0.417) 1.226 15.116 ( 0.000 1.153 0.417) 1.226 15.877 ( 0.000 -2.729 4.280) 5.076 15.877 ( 0.000 2.729 4.280) 5.076 19.070 ( 0.000 -0.169 7.328) 7.329 19.070 ( 0.000 0.169 7.328) 7.329 19.225 ( 0.000 -3.809 -6.743) 7.745 19.225 ( 0.000 3.809 -6.743) 7.745 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 0.858 -7.727 3.014) 8.338 2.462 ( 0.858 7.727 3.014) 8.338 2.559 ( 1.626 -10.030 -3.023) 10.601 2.559 ( 1.626 10.030 -3.023) 10.601 2.754 ( 0.089 -4.626 5.273) 7.015 2.754 ( 0.089 4.626 5.273) 7.015 2.999 ( -1.660 -2.603 -9.641) 10.123 2.999 ( -1.660 2.603 -9.641) 10.123 3.229 ( 1.812 -3.254 2.932) 4.740 3.229 ( 1.812 3.254 2.932) 4.740 3.661 ( -0.699 -5.725 -4.857) 7.540 3.661 ( -0.699 5.725 -4.857) 7.540 5.568 ( 8.180 -4.407 0.774) 9.324 5.568 ( 8.180 4.407 0.774) 9.324 5.709 ( 8.193 -2.250 -4.688) 9.704 5.709 ( 8.193 2.250 -4.688) 9.704 6.708 ( -7.827 -6.391 20.079) 22.479 6.708 ( -7.827 6.391 20.079) 22.479 7.311 ( -8.519 -4.898 7.279) 12.229 7.311 ( -8.519 4.898 7.279) 12.229 7.578 ( -9.368 -9.429 -9.528) 16.354 7.578 ( -9.368 9.429 -9.528) 16.354 7.801 ( -6.778 -5.876 -5.617) 10.584 7.801 ( -6.778 5.876 -5.617) 10.584 8.403 ( 7.857 -9.641 9.242) 15.495 8.403 ( 7.857 9.641 9.242) 15.495 8.728 ( 2.637 -13.722 -14.765) 20.328 8.728 ( 2.637 13.722 -14.765) 20.328 9.485 ( 4.071 -4.337 0.771) 5.998 9.485 ( 4.071 4.337 0.771) 5.998 9.660 ( -18.976 -3.847 -0.728) 19.376 9.660 ( -18.976 3.847 -0.728) 19.376 10.414 ( 8.099 -7.426 5.347) 12.220 10.414 ( 8.099 7.426 5.347) 12.220 10.567 ( 17.179 -5.152 -4.294) 18.442 10.567 ( 17.179 5.152 -4.294) 18.442 11.052 ( 3.014 -8.426 5.801) 10.665 11.052 ( 3.014 8.426 5.801) 10.665 11.284 ( 0.591 -10.193 -6.699) 12.212 11.284 ( 0.591 10.193 -6.699) 12.212 12.117 ( -5.449 -1.769 1.052) 5.825 12.117 ( -5.449 1.769 1.052) 5.825 12.184 ( -6.907 -6.716 -3.866) 10.381 12.184 ( -6.907 6.716 -3.866) 10.381 13.782 ( -0.274 -0.233 -0.974) 1.038 13.782 ( -0.274 0.233 -0.974) 1.038 14.040 ( -1.311 -1.085 -0.157) 1.709 14.040 ( -1.311 1.085 -0.157) 1.709 14.294 ( 1.968 -3.911 3.813) 5.805 14.294 ( 1.968 3.911 3.813) 5.805 14.375 ( 1.259 -1.953 -3.199) 3.954 14.375 ( 1.259 1.953 -3.199) 3.954 15.144 ( 2.887 -0.993 0.827) 3.163 15.144 ( 2.887 0.993 0.827) 3.163 15.855 ( -2.173 -2.594 4.213) 5.404 15.855 ( -2.173 2.594 4.213) 5.404 19.044 ( -2.737 -0.624 5.896) 6.530 19.044 ( -2.737 0.624 5.896) 6.530 19.183 ( -4.132 -4.255 -6.030) 8.459 19.183 ( -4.132 4.255 -6.030) 8.459 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 1.160 -6.618 1.020) 6.796 2.483 ( 1.160 6.618 1.020) 6.796 2.603 ( 2.900 -6.366 -2.837) 7.549 2.603 ( 2.900 6.366 -2.837) 7.549 2.730 ( -2.594 -1.404 8.992) 9.463 2.730 ( -2.594 1.404 8.992) 9.463 2.949 ( -2.949 -1.981 -10.411) 11.001 2.949 ( -2.949 1.981 -10.411) 11.001 3.299 ( 4.791 -2.632 2.659) 6.079 3.299 ( 4.791 2.632 2.659) 6.079 3.638 ( -1.603 -3.668 -4.491) 6.016 3.638 ( -1.603 3.668 -4.491) 6.016 5.798 ( 15.064 -4.607 3.799) 16.204 5.798 ( 15.064 4.607 3.799) 16.204 5.927 ( 13.809 -3.231 -4.298) 14.819 5.927 ( 13.809 3.231 -4.298) 14.819 6.516 ( -10.942 -7.473 18.357) 22.640 6.516 ( -10.942 7.473 18.357) 22.640 7.097 ( -13.871 -5.337 -6.268) 16.130 7.097 ( -13.871 5.337 -6.268) 16.130 7.327 ( -14.990 -2.893 -8.868) 17.656 7.327 ( -14.990 2.893 -8.868) 17.656 7.627 ( -11.338 -1.817 -4.445) 12.313 7.627 ( -11.338 1.817 -4.445) 12.313 8.569 ( 8.802 -12.692 13.052) 20.222 8.569 ( 8.802 12.692 13.052) 20.222 8.820 ( 6.140 -16.515 -10.749) 20.640 8.820 ( 6.140 16.515 -10.749) 20.640 9.332 ( -10.997 -2.339 2.115) 11.441 9.332 ( -10.997 2.339 2.115) 11.441 9.573 ( 1.072 -1.767 -4.184) 4.667 9.573 ( 1.072 1.767 -4.184) 4.667 10.582 ( 9.862 -4.506 4.235) 11.640 10.582 ( 9.862 4.506 4.235) 11.640 10.875 ( 13.002 -1.959 -0.056) 13.149 10.875 ( 13.002 1.959 -0.056) 13.149 11.126 ( 4.746 -10.846 6.953) 13.729 11.126 ( 4.746 10.846 6.953) 13.729 11.309 ( 2.108 -12.962 -8.473) 15.629 11.309 ( 2.108 12.962 -8.473) 15.629 11.981 ( -8.452 -4.680 -0.539) 9.676 11.981 ( -8.452 4.680 -0.539) 9.676 12.019 ( -9.160 -3.770 -2.546) 10.228 12.019 ( -9.160 3.770 -2.546) 10.228 13.773 ( -0.541 -0.654 -1.588) 1.800 13.773 ( -0.541 0.654 -1.588) 1.800 13.999 ( -3.008 -1.340 -0.894) 3.413 13.999 ( -3.008 1.340 -0.894) 3.413 14.340 ( 2.690 -2.873 3.664) 5.377 14.340 ( 2.690 2.873 3.664) 5.377 14.408 ( 2.038 -1.614 -2.866) 3.869 14.408 ( 2.038 1.614 -2.866) 3.869 15.225 ( 5.431 -0.568 1.730) 5.729 15.225 ( 5.431 0.568 1.730) 5.729 15.799 ( -3.474 -2.436 3.887) 5.754 15.799 ( -3.474 2.436 3.887) 5.754 18.969 ( -4.806 -1.740 2.412) 5.652 18.969 ( -4.806 1.740 2.412) 5.652 19.076 ( -6.608 -5.116 -4.371) 9.431 19.076 ( -6.608 5.116 -4.371) 9.431 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 1.307 -5.077 0.259) 5.249 2.505 ( 1.307 5.077 0.259) 5.249 2.662 ( -2.832 -3.844 5.797) 7.510 2.662 ( -2.832 3.844 5.797) 7.510 2.674 ( 3.233 -5.250 -1.913) 6.456 2.674 ( 3.233 5.250 -1.913) 6.456 2.901 ( -2.256 -3.080 -4.670) 6.032 2.901 ( -2.256 3.080 -4.670) 6.032 3.392 ( 4.789 -2.714 0.646) 5.543 3.392 ( 4.789 2.714 0.646) 5.543 3.603 ( -2.088 -1.123 -2.700) 3.593 3.603 ( -2.088 1.123 -2.700) 3.593 6.074 ( 8.970 -7.159 11.042) 15.926 6.074 ( 8.970 7.159 11.042) 15.926 6.210 ( 15.042 -3.969 1.400) 15.620 6.210 ( 15.042 3.969 1.400) 15.620 6.372 ( -0.137 -13.278 0.628) 13.293 6.372 ( -0.137 13.278 0.628) 13.293 6.781 ( -16.642 -2.002 -16.299) 23.380 6.781 ( -16.642 2.002 -16.299) 23.380 7.067 ( -11.817 -0.856 -0.901) 11.882 7.067 ( -11.817 0.856 -0.901) 11.882 7.370 ( -15.106 -2.822 -3.838) 15.839 7.370 ( -15.106 2.822 -3.838) 15.839 8.728 ( 7.387 -8.431 10.400) 15.291 8.728 ( 7.387 8.431 10.400) 15.291 8.915 ( 2.504 -13.403 -3.014) 13.964 8.915 ( 2.504 13.403 -3.014) 13.964 9.230 ( 0.499 -4.073 -1.212) 4.279 9.230 ( 0.499 4.073 -1.212) 4.279 9.545 ( -3.851 -1.637 -4.844) 6.402 9.545 ( -3.851 1.637 -4.844) 6.402 10.776 ( 9.719 -2.954 4.216) 10.998 10.776 ( 9.719 2.954 4.216) 10.998 11.031 ( 3.306 -6.178 5.061) 8.644 11.031 ( 3.306 6.178 5.061) 8.644 11.253 ( 8.040 -7.141 2.937) 11.148 11.253 ( 8.040 7.141 2.937) 11.148 11.367 ( 4.245 -12.827 -8.654) 16.045 11.367 ( 4.245 12.827 -8.654) 16.045 11.796 ( -9.985 -5.726 0.496) 11.521 11.796 ( -9.985 5.726 0.496) 11.521 11.862 ( -7.512 -3.154 -3.326) 8.799 11.862 ( -7.512 3.154 -3.326) 8.799 13.769 ( 0.251 -0.977 -2.001) 2.241 13.769 ( 0.251 0.977 -2.001) 2.241 13.928 ( -4.179 -1.276 -1.569) 4.643 13.928 ( -4.179 1.276 -1.569) 4.643 14.393 ( 2.679 -1.848 2.893) 4.354 14.393 ( 2.679 1.848 2.893) 4.354 14.444 ( 1.399 -1.044 -1.450) 2.270 14.444 ( 1.399 1.044 -1.450) 2.270 15.348 ( 7.184 -1.082 2.592) 7.714 15.348 ( 7.184 1.082 2.592) 7.714 15.723 ( -4.499 -2.620 3.388) 6.212 15.723 ( -4.499 2.620 3.388) 6.212 18.874 ( -4.449 -2.772 -0.922) 5.322 18.874 ( -4.449 2.772 -0.922) 5.322 18.946 ( -6.512 -5.223 -3.207) 8.943 18.946 ( -6.512 5.223 -3.207) 8.943 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 2.364 -3.737 1.816) 4.780 2.540 ( 2.364 3.737 1.816) 4.780 2.594 ( -3.249 -2.831 3.197) 5.366 2.594 ( -3.249 2.831 3.197) 5.366 2.761 ( 4.754 -3.963 -2.299) 6.602 2.761 ( 4.754 3.963 -2.299) 6.602 2.845 ( -3.768 -3.178 -2.618) 5.582 2.845 ( -3.768 3.178 -2.618) 5.582 3.482 ( 4.427 -1.431 0.518) 4.682 3.482 ( 4.427 1.431 0.518) 4.682 3.555 ( -3.038 -1.064 -0.237) 3.227 3.555 ( -3.038 1.064 -0.237) 3.227 6.134 ( 3.489 -4.438 5.521) 7.896 6.134 ( 3.489 4.438 5.521) 7.896 6.283 ( -9.846 -6.029 -5.969) 12.997 6.283 ( -9.846 6.029 -5.969) 12.997 6.555 ( 14.646 -6.219 3.071) 16.206 6.555 ( 14.646 6.219 3.071) 16.206 6.702 ( 7.888 -2.699 -8.523) 11.922 6.702 ( 7.888 2.699 -8.523) 11.922 6.860 ( -7.477 -9.663 -0.415) 12.225 6.860 ( -7.477 9.663 -0.415) 12.225 7.058 ( -16.872 -7.333 -5.541) 19.213 7.058 ( -16.872 7.333 -5.541) 19.213 8.846 ( 4.868 -6.698 6.527) 10.544 8.846 ( 4.868 6.698 6.527) 10.544 8.913 ( -2.055 -9.421 2.638) 9.997 8.913 ( -2.055 9.421 2.638) 9.997 9.311 ( 6.427 -6.428 -3.803) 9.853 9.311 ( 6.427 6.428 -3.803) 9.853 9.441 ( -6.504 -4.486 -4.760) 9.224 9.441 ( -6.504 4.486 -4.760) 9.224 10.939 ( 6.931 -2.295 4.889) 8.787 10.939 ( 6.931 2.295 4.889) 8.787 11.033 ( -2.639 -4.294 6.102) 7.915 11.033 ( -2.639 4.294 6.102) 7.915 11.392 ( 6.368 -3.385 -1.742) 7.419 11.392 ( 6.368 3.385 -1.742) 7.419 11.462 ( 2.510 -7.054 -6.825) 10.131 11.462 ( 2.510 7.054 -6.825) 10.131 11.643 ( -3.203 -3.735 1.849) 5.256 11.643 ( -3.203 3.735 1.849) 5.256 11.719 ( -7.246 -4.391 -3.065) 9.010 11.719 ( -7.246 4.391 -3.065) 9.010 13.790 ( 2.085 -1.146 -2.113) 3.183 13.790 ( 2.085 1.146 -2.113) 3.183 13.848 ( -3.810 -1.223 -1.980) 4.464 13.848 ( -3.810 1.223 -1.980) 4.464 14.437 ( 1.776 -1.269 1.749) 2.797 14.437 ( 1.776 1.269 1.749) 2.797 14.456 ( -0.154 -0.944 0.278) 0.997 14.456 ( -0.154 0.944 0.278) 0.997 15.491 ( 7.383 -2.191 3.049) 8.283 15.491 ( 7.383 2.191 3.049) 8.283 15.622 ( -6.051 -2.774 3.144) 7.362 15.622 ( -6.051 2.774 3.144) 7.362 18.818 ( -0.974 -3.563 -2.630) 4.534 18.818 ( -0.974 3.563 -2.630) 4.534 18.844 ( -3.605 -4.431 -3.033) 6.468 18.844 ( -3.605 4.431 -3.033) 6.468 =================== 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 3/29160 10.0 1809.630 1027.497 1815.021 0.000 0.000 0.000 3/29160 20.0 396.667 342.031 375.787 0.000 0.000 -0.000 3/29160 30.0 168.414 163.167 177.440 0.000 0.000 -0.000 3/29160 40.0 95.533 98.404 103.697 0.000 0.000 -0.000 3/29160 50.0 61.507 65.810 67.533 0.000 0.000 -0.000 3/29160 60.0 43.075 47.184 47.606 0.000 0.000 -0.000 3/29160 70.0 32.139 35.675 35.664 0.000 0.000 -0.000 3/29160 80.0 25.178 28.130 28.008 0.000 0.000 -0.000 3/29160 90.0 20.485 22.941 22.820 0.000 0.000 -0.000 3/29160 100.0 17.170 19.227 19.140 0.000 0.000 -0.000 3/29160 110.0 14.734 16.477 16.429 0.000 0.000 -0.000 3/29160 120.0 12.884 14.379 14.365 0.000 0.000 -0.000 3/29160 130.0 11.440 12.738 12.753 0.000 0.000 -0.000 3/29160 140.0 10.285 11.426 11.463 0.000 0.000 -0.000 3/29160 150.0 9.344 10.357 10.411 0.000 0.000 -0.000 3/29160 160.0 8.562 9.471 9.539 0.000 0.000 -0.000 3/29160 170.0 7.904 8.727 8.804 0.000 0.000 -0.000 3/29160 180.0 7.343 8.093 8.177 0.000 0.000 -0.000 3/29160 190.0 6.858 7.547 7.637 0.000 0.000 -0.000 3/29160 200.0 6.435 7.071 7.165 0.000 0.000 -0.000 3/29160 210.0 6.064 6.655 6.751 0.000 0.000 -0.000 3/29160 220.0 5.734 6.286 6.384 0.000 0.000 -0.000 3/29160 230.0 5.440 5.957 6.057 0.000 0.000 -0.000 3/29160 240.0 5.175 5.662 5.763 0.000 0.000 -0.000 3/29160 250.0 4.936 5.396 5.497 0.000 0.000 -0.000 3/29160 260.0 4.720 5.155 5.256 0.000 0.000 -0.000 3/29160 270.0 4.522 4.936 5.035 0.000 0.000 -0.000 3/29160 280.0 4.340 4.735 4.834 0.000 0.000 -0.000 3/29160 290.0 4.173 4.550 4.648 0.000 0.000 -0.000 3/29160 300.0 4.019 4.380 4.477 0.000 0.000 -0.000 3/29160 310.0 3.876 4.223 4.318 0.000 0.000 -0.000 3/29160 320.0 3.744 4.076 4.171 0.000 0.000 -0.000 3/29160 330.0 3.620 3.940 4.034 0.000 0.000 -0.000 3/29160 340.0 3.505 3.813 3.905 0.000 0.000 -0.000 3/29160 350.0 3.397 3.695 3.785 0.000 0.000 -0.000 3/29160 360.0 3.296 3.583 3.673 0.000 0.000 -0.000 3/29160 370.0 3.200 3.479 3.567 0.000 0.000 -0.000 3/29160 380.0 3.110 3.380 3.467 0.000 0.000 -0.000 3/29160 390.0 3.026 3.287 3.373 0.000 0.000 -0.000 3/29160 400.0 2.946 3.200 3.284 0.000 0.000 -0.000 3/29160 410.0 2.870 3.116 3.199 0.000 0.000 -0.000 3/29160 420.0 2.798 3.038 3.119 0.000 0.000 -0.000 3/29160 430.0 2.729 2.963 3.043 0.000 0.000 -0.000 3/29160 440.0 2.664 2.892 2.971 0.000 0.000 -0.000 3/29160 450.0 2.602 2.824 2.902 0.000 0.000 -0.000 3/29160 460.0 2.543 2.759 2.836 0.000 0.000 -0.000 3/29160 470.0 2.487 2.698 2.773 0.000 0.000 -0.000 3/29160 480.0 2.433 2.639 2.713 0.000 0.000 -0.000 3/29160 490.0 2.381 2.583 2.656 0.000 0.000 -0.000 3/29160 500.0 2.332 2.529 2.601 0.000 0.000 -0.000 3/29160 510.0 2.284 2.477 2.548 0.000 0.000 -0.000 3/29160 520.0 2.239 2.428 2.498 0.000 0.000 -0.000 3/29160 530.0 2.195 2.380 2.449 0.000 0.000 -0.000 3/29160 540.0 2.153 2.335 2.402 0.000 0.000 -0.000 3/29160 550.0 2.113 2.291 2.357 0.000 0.000 -0.000 3/29160 560.0 2.074 2.248 2.314 0.000 0.000 -0.000 3/29160 570.0 2.037 2.208 2.273 0.000 0.000 -0.000 3/29160 580.0 2.001 2.168 2.232 0.000 0.000 -0.000 3/29160 590.0 1.966 2.130 2.194 0.000 0.000 -0.000 3/29160 600.0 1.932 2.094 2.156 0.000 0.000 -0.000 3/29160 610.0 1.900 2.059 2.120 0.000 0.000 -0.000 3/29160 620.0 1.869 2.025 2.085 0.000 0.000 -0.000 3/29160 630.0 1.838 1.992 2.051 0.000 0.000 -0.000 3/29160 640.0 1.809 1.960 2.019 0.000 0.000 -0.000 3/29160 650.0 1.780 1.929 1.987 0.000 0.000 -0.000 3/29160 660.0 1.753 1.899 1.956 0.000 0.000 -0.000 3/29160 670.0 1.726 1.870 1.927 0.000 0.000 -0.000 3/29160 680.0 1.700 1.842 1.898 0.000 0.000 -0.000 3/29160 690.0 1.675 1.814 1.870 0.000 0.000 -0.000 3/29160 700.0 1.651 1.788 1.843 0.000 0.000 -0.000 3/29160 710.0 1.627 1.762 1.816 0.000 0.000 -0.000 3/29160 720.0 1.604 1.737 1.791 0.000 0.000 -0.000 3/29160 730.0 1.582 1.713 1.766 0.000 0.000 -0.000 3/29160 740.0 1.560 1.690 1.741 0.000 0.000 -0.000 3/29160 750.0 1.539 1.667 1.718 0.000 0.000 -0.000 3/29160 760.0 1.518 1.644 1.695 0.000 0.000 -0.000 3/29160 770.0 1.498 1.623 1.673 0.000 0.000 -0.000 3/29160 780.0 1.479 1.601 1.651 0.000 0.000 -0.000 3/29160 790.0 1.460 1.581 1.630 0.000 0.000 -0.000 3/29160 800.0 1.442 1.561 1.609 0.000 0.000 -0.000 3/29160 810.0 1.423 1.541 1.589 0.000 0.000 -0.000 3/29160 820.0 1.406 1.522 1.569 0.000 0.000 -0.000 3/29160 830.0 1.389 1.504 1.550 0.000 0.000 -0.000 3/29160 840.0 1.372 1.485 1.532 0.000 0.000 -0.000 3/29160 850.0 1.356 1.468 1.513 0.000 0.000 -0.000 3/29160 860.0 1.340 1.450 1.496 0.000 0.000 -0.000 3/29160 870.0 1.324 1.433 1.478 0.000 0.000 -0.000 3/29160 880.0 1.309 1.417 1.461 0.000 0.000 -0.000 3/29160 890.0 1.294 1.401 1.445 0.000 0.000 -0.000 3/29160 900.0 1.280 1.385 1.429 0.000 0.000 -0.000 3/29160 910.0 1.265 1.370 1.413 0.000 0.000 -0.000 3/29160 920.0 1.251 1.355 1.397 0.000 0.000 -0.000 3/29160 930.0 1.238 1.340 1.382 0.000 0.000 -0.000 3/29160 940.0 1.225 1.326 1.367 0.000 0.000 -0.000 3/29160 950.0 1.212 1.311 1.353 0.000 0.000 -0.000 3/29160 960.0 1.199 1.298 1.339 0.000 0.000 -0.000 3/29160 970.0 1.186 1.284 1.325 0.000 0.000 -0.000 3/29160 980.0 1.174 1.271 1.311 0.000 0.000 -0.000 3/29160 990.0 1.162 1.258 1.298 0.000 0.000 -0.000 3/29160 1000.0 1.150 1.245 1.285 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:03:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|