----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:49:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.950787340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.102372580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): *1 C 0.41323535426175 0.25000000000000 0.74168940986704 12.011 2 C 0.58676464573825 0.75000000000000 0.25831059013296 12.011 3 C 0.91323535426175 0.25000000000000 0.75831059013296 12.011 4 C 0.08676464573825 0.75000000000000 0.24168940986704 12.011 *5 O 0.91228411056706 0.46978256770152 0.68092129165324 15.999 6 O 0.08771588943294 0.96978256770152 0.31907870834676 15.999 7 O 0.41228411056706 0.03021743229848 0.81907870834676 15.999 8 O 0.58771588943294 0.53021743229848 0.18092129165324 15.999 *9 O 0.09624744886278 0.75000000000000 0.08810507897632 15.999 10 O 0.90375255113722 0.25000000000000 0.91189492102368 15.999 11 O 0.59624744886278 0.75000000000000 0.41189492102368 15.999 12 O 0.40375255113722 0.25000000000000 0.58810507897632 15.999 13 O 0.08771588943294 0.53021743229848 0.31907870834676 15.999 14 O 0.91228411056706 0.03021743229848 0.68092129165324 15.999 15 O 0.58771588943294 0.96978256770152 0.18092129165324 15.999 16 O 0.41228411056706 0.46978256770152 0.81907870834676 15.999 *17 Sr 0.25640971812604 0.25000000000000 0.08375315365579 87.620 18 Sr 0.74359028187396 0.75000000000000 0.91624684634421 87.620 19 Sr 0.75640971812604 0.25000000000000 0.41624684634421 87.620 20 Sr 0.24359028187396 0.75000000000000 0.58375315365579 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.950787340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.102372580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): *1 C 0.41323535426175 0.25000000000000 0.74168940986704 12.011 > 1 2 C 0.58676464573825 0.75000000000000 0.25831059013296 12.011 > 2 3 C 0.91323535426175 0.25000000000000 0.75831059013296 12.011 > 3 4 C 0.08676464573825 0.75000000000000 0.24168940986704 12.011 > 4 *5 O 0.91228411056706 0.46978256770152 0.68092129165324 15.999 > 5 6 O 0.08771588943294 0.96978256770152 0.31907870834676 15.999 > 6 7 O 0.41228411056706 0.03021743229848 0.81907870834676 15.999 > 7 8 O 0.58771588943294 0.53021743229848 0.18092129165324 15.999 > 8 *9 O 0.09624744886278 0.75000000000000 0.08810507897632 15.999 > 9 10 O 0.90375255113722 0.25000000000000 0.91189492102368 15.999 > 10 11 O 0.59624744886278 0.75000000000000 0.41189492102368 15.999 > 11 12 O 0.40375255113722 0.25000000000000 0.58810507897632 15.999 > 12 13 O 0.08771588943294 0.53021743229848 0.31907870834676 15.999 > 13 14 O 0.91228411056706 0.03021743229848 0.68092129165324 15.999 > 14 15 O 0.58771588943294 0.96978256770152 0.18092129165324 15.999 > 15 16 O 0.41228411056706 0.46978256770152 0.81907870834676 15.999 > 16 *17 Sr 0.25640971812604 0.25000000000000 0.08375315365579 87.620 > 17 18 Sr 0.74359028187396 0.75000000000000 0.91624684634421 87.620 > 18 19 Sr 0.75640971812604 0.25000000000000 0.41624684634421 87.620 > 19 20 Sr 0.24359028187396 0.75000000000000 0.58375315365579 87.620 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.901574680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.204745160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): *1 C 0.20661767713087 0.12500000000000 0.74168940986704 12.011 > 1 2 C 0.70661767713087 0.12500000000000 0.74168940986704 12.011 > 1 3 C 0.20661767713087 0.62500000000000 0.74168940986704 12.011 > 1 4 C 0.70661767713087 0.62500000000000 0.74168940986704 12.011 > 1 5 C 0.29338232286913 0.37500000000000 0.25831059013296 12.011 > 2 6 C 0.79338232286913 0.37500000000000 0.25831059013296 12.011 > 2 7 C 0.29338232286913 0.87500000000000 0.25831059013296 12.011 > 2 8 C 0.79338232286913 0.87500000000000 0.25831059013296 12.011 > 2 9 C 0.45661767713087 0.12500000000000 0.75831059013296 12.011 > 3 10 C 0.95661767713087 0.12500000000000 0.75831059013296 12.011 > 3 11 C 0.45661767713087 0.62500000000000 0.75831059013296 12.011 > 3 12 C 0.95661767713087 0.62500000000000 0.75831059013296 12.011 > 3 13 C 0.04338232286913 0.37500000000000 0.24168940986704 12.011 > 4 14 C 0.54338232286913 0.37500000000000 0.24168940986704 12.011 > 4 15 C 0.04338232286913 0.87500000000000 0.24168940986704 12.011 > 4 16 C 0.54338232286913 0.87500000000000 0.24168940986704 12.011 > 4 *17 O 0.45614205528353 0.23489128385076 0.68092129165324 15.999 > 5 18 O 0.95614205528353 0.23489128385076 0.68092129165324 15.999 > 5 19 O 0.45614205528353 0.73489128385076 0.68092129165324 15.999 > 5 20 O 0.95614205528353 0.73489128385076 0.68092129165324 15.999 > 5 21 O 0.04385794471647 0.48489128385076 0.31907870834676 15.999 > 6 22 O 0.54385794471647 0.48489128385076 0.31907870834676 15.999 > 6 23 O 0.04385794471647 0.98489128385076 0.31907870834676 15.999 > 6 24 O 0.54385794471647 0.98489128385076 0.31907870834676 15.999 > 6 25 O 0.20614205528353 0.01510871614924 0.81907870834676 15.999 > 7 26 O 0.70614205528353 0.01510871614924 0.81907870834676 15.999 > 7 27 O 0.20614205528353 0.51510871614924 0.81907870834676 15.999 > 7 28 O 0.70614205528353 0.51510871614924 0.81907870834676 15.999 > 7 29 O 0.29385794471647 0.26510871614924 0.18092129165324 15.999 > 8 30 O 0.79385794471647 0.26510871614924 0.18092129165324 15.999 > 8 31 O 0.29385794471647 0.76510871614924 0.18092129165324 15.999 > 8 32 O 0.79385794471647 0.76510871614924 0.18092129165324 15.999 > 8 *33 O 0.04812372443139 0.37500000000000 0.08810507897632 15.999 > 9 34 O 0.54812372443139 0.37500000000000 0.08810507897632 15.999 > 9 35 O 0.04812372443139 0.87500000000000 0.08810507897632 15.999 > 9 36 O 0.54812372443139 0.87500000000000 0.08810507897632 15.999 > 9 37 O 0.45187627556861 0.12500000000000 0.91189492102368 15.999 > 10 38 O 0.95187627556861 0.12500000000000 0.91189492102368 15.999 > 10 39 O 0.45187627556861 0.62500000000000 0.91189492102368 15.999 > 10 40 O 0.95187627556861 0.62500000000000 0.91189492102368 15.999 > 10 41 O 0.29812372443139 0.37500000000000 0.41189492102368 15.999 > 11 42 O 0.79812372443139 0.37500000000000 0.41189492102368 15.999 > 11 43 O 0.29812372443139 0.87500000000000 0.41189492102368 15.999 > 11 44 O 0.79812372443139 0.87500000000000 0.41189492102368 15.999 > 11 45 O 0.20187627556861 0.12500000000000 0.58810507897632 15.999 > 12 46 O 0.70187627556861 0.12500000000000 0.58810507897632 15.999 > 12 47 O 0.20187627556861 0.62500000000000 0.58810507897632 15.999 > 12 48 O 0.70187627556861 0.62500000000000 0.58810507897632 15.999 > 12 49 O 0.04385794471647 0.26510871614924 0.31907870834676 15.999 > 13 50 O 0.54385794471647 0.26510871614924 0.31907870834676 15.999 > 13 51 O 0.04385794471647 0.76510871614924 0.31907870834676 15.999 > 13 52 O 0.54385794471647 0.76510871614924 0.31907870834676 15.999 > 13 53 O 0.45614205528353 0.01510871614924 0.68092129165324 15.999 > 14 54 O 0.95614205528353 0.01510871614924 0.68092129165324 15.999 > 14 55 O 0.45614205528353 0.51510871614924 0.68092129165324 15.999 > 14 56 O 0.95614205528353 0.51510871614924 0.68092129165324 15.999 > 14 57 O 0.29385794471647 0.48489128385076 0.18092129165324 15.999 > 15 58 O 0.79385794471647 0.48489128385076 0.18092129165324 15.999 > 15 59 O 0.29385794471647 0.98489128385076 0.18092129165324 15.999 > 15 60 O 0.79385794471647 0.98489128385076 0.18092129165324 15.999 > 15 61 O 0.20614205528353 0.23489128385076 0.81907870834676 15.999 > 16 62 O 0.70614205528353 0.23489128385076 0.81907870834676 15.999 > 16 63 O 0.20614205528353 0.73489128385076 0.81907870834676 15.999 > 16 64 O 0.70614205528353 0.73489128385076 0.81907870834676 15.999 > 16 *65 Sr 0.12820485906302 0.12500000000000 0.08375315365579 87.620 > 17 66 Sr 0.62820485906302 0.12500000000000 0.08375315365579 87.620 > 17 67 Sr 0.12820485906302 0.62500000000000 0.08375315365579 87.620 > 17 68 Sr 0.62820485906302 0.62500000000000 0.08375315365579 87.620 > 17 69 Sr 0.37179514093698 0.37500000000000 0.91624684634421 87.620 > 18 70 Sr 0.87179514093698 0.37500000000000 0.91624684634421 87.620 > 18 71 Sr 0.37179514093698 0.87500000000000 0.91624684634421 87.620 > 18 72 Sr 0.87179514093698 0.87500000000000 0.91624684634421 87.620 > 18 73 Sr 0.37820485906302 0.12500000000000 0.41624684634421 87.620 > 19 74 Sr 0.87820485906302 0.12500000000000 0.41624684634421 87.620 > 19 75 Sr 0.37820485906302 0.62500000000000 0.41624684634421 87.620 > 19 76 Sr 0.87820485906302 0.62500000000000 0.41624684634421 87.620 > 19 77 Sr 0.12179514093698 0.37500000000000 0.58375315365579 87.620 > 20 78 Sr 0.62179514093698 0.37500000000000 0.58375315365579 87.620 > 20 79 Sr 0.12179514093698 0.87500000000000 0.58375315365579 87.620 > 20 80 Sr 0.62179514093698 0.87500000000000 0.58375315365579 87.620 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4554252 0.0000000 0.0000000 0.0000000 3.0074808 0.0000000 0.0000000 0.0000000 3.0013801 -------------------------- Born effective charges -------------------------- 1 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 2 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 3 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 4 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 5 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 6 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 7 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 8 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 9 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 10 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 11 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 12 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 13 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 14 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 15 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 16 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 17 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 18 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 19 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 20 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 ---------------------------------------------------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 320 - Time: 0.181 Solver_block: 200 / 320 - Time: 0.184 Solver_block: 300 / 320 - Time: 0.184 Solver_block: 320 / 320 - Time: 0.059 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.621 --------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), 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 2026-01-07 19:49:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:49:43]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.950787340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.102372580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): 1 C 0.41323535426175 0.25000000000000 0.74168940986704 12.011 2 C 0.58676464573825 0.75000000000000 0.25831059013296 12.011 3 C 0.91323535426175 0.25000000000000 0.75831059013296 12.011 4 C 0.08676464573825 0.75000000000000 0.24168940986704 12.011 5 O 0.91228411056706 0.46978256770152 0.68092129165324 15.999 6 O 0.08771588943294 0.96978256770152 0.31907870834676 15.999 7 O 0.41228411056706 0.03021743229848 0.81907870834676 15.999 8 O 0.58771588943294 0.53021743229848 0.18092129165324 15.999 9 O 0.09624744886278 0.75000000000000 0.08810507897632 15.999 10 O 0.90375255113722 0.25000000000000 0.91189492102368 15.999 11 O 0.59624744886278 0.75000000000000 0.41189492102368 15.999 12 O 0.40375255113722 0.25000000000000 0.58810507897632 15.999 13 O 0.08771588943294 0.53021743229848 0.31907870834676 15.999 14 O 0.91228411056706 0.03021743229848 0.68092129165324 15.999 15 O 0.58771588943294 0.96978256770152 0.18092129165324 15.999 16 O 0.41228411056706 0.46978256770152 0.81907870834676 15.999 17 Sr 0.25640971812604 0.25000000000000 0.08375315365579 87.620 18 Sr 0.74359028187396 0.75000000000000 0.91624684634421 87.620 19 Sr 0.75640971812604 0.25000000000000 0.41624684634421 87.620 20 Sr 0.24359028187396 0.75000000000000 0.58375315365579 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.901574680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.204745160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): 1 C 0.20661767713087 0.12500000000000 0.74168940986704 12.011 > 1 2 C 0.70661767713087 0.12500000000000 0.74168940986704 12.011 > 1 3 C 0.20661767713087 0.62500000000000 0.74168940986704 12.011 > 1 4 C 0.70661767713087 0.62500000000000 0.74168940986704 12.011 > 1 5 C 0.29338232286913 0.37500000000000 0.25831059013296 12.011 > 5 6 C 0.79338232286913 0.37500000000000 0.25831059013296 12.011 > 5 7 C 0.29338232286913 0.87500000000000 0.25831059013296 12.011 > 5 8 C 0.79338232286913 0.87500000000000 0.25831059013296 12.011 > 5 9 C 0.45661767713087 0.12500000000000 0.75831059013296 12.011 > 9 10 C 0.95661767713087 0.12500000000000 0.75831059013296 12.011 > 9 11 C 0.45661767713087 0.62500000000000 0.75831059013296 12.011 > 9 12 C 0.95661767713087 0.62500000000000 0.75831059013296 12.011 > 9 13 C 0.04338232286913 0.37500000000000 0.24168940986704 12.011 > 13 14 C 0.54338232286913 0.37500000000000 0.24168940986704 12.011 > 13 15 C 0.04338232286913 0.87500000000000 0.24168940986704 12.011 > 13 16 C 0.54338232286913 0.87500000000000 0.24168940986704 12.011 > 13 17 O 0.45614205528353 0.23489128385076 0.68092129165324 15.999 > 17 18 O 0.95614205528353 0.23489128385076 0.68092129165324 15.999 > 17 19 O 0.45614205528353 0.73489128385076 0.68092129165324 15.999 > 17 20 O 0.95614205528353 0.73489128385076 0.68092129165324 15.999 > 17 21 O 0.04385794471647 0.48489128385076 0.31907870834676 15.999 > 21 22 O 0.54385794471647 0.48489128385076 0.31907870834676 15.999 > 21 23 O 0.04385794471647 0.98489128385076 0.31907870834676 15.999 > 21 24 O 0.54385794471647 0.98489128385076 0.31907870834676 15.999 > 21 25 O 0.20614205528353 0.01510871614924 0.81907870834676 15.999 > 25 26 O 0.70614205528353 0.01510871614924 0.81907870834676 15.999 > 25 27 O 0.20614205528353 0.51510871614924 0.81907870834676 15.999 > 25 28 O 0.70614205528353 0.51510871614924 0.81907870834676 15.999 > 25 29 O 0.29385794471647 0.26510871614924 0.18092129165324 15.999 > 29 30 O 0.79385794471647 0.26510871614924 0.18092129165324 15.999 > 29 31 O 0.29385794471647 0.76510871614924 0.18092129165324 15.999 > 29 32 O 0.79385794471647 0.76510871614924 0.18092129165324 15.999 > 29 33 O 0.04812372443139 0.37500000000000 0.08810507897632 15.999 > 33 34 O 0.54812372443139 0.37500000000000 0.08810507897632 15.999 > 33 35 O 0.04812372443139 0.87500000000000 0.08810507897632 15.999 > 33 36 O 0.54812372443139 0.87500000000000 0.08810507897632 15.999 > 33 37 O 0.45187627556861 0.12500000000000 0.91189492102368 15.999 > 37 38 O 0.95187627556861 0.12500000000000 0.91189492102368 15.999 > 37 39 O 0.45187627556861 0.62500000000000 0.91189492102368 15.999 > 37 40 O 0.95187627556861 0.62500000000000 0.91189492102368 15.999 > 37 41 O 0.29812372443139 0.37500000000000 0.41189492102368 15.999 > 41 42 O 0.79812372443139 0.37500000000000 0.41189492102368 15.999 > 41 43 O 0.29812372443139 0.87500000000000 0.41189492102368 15.999 > 41 44 O 0.79812372443139 0.87500000000000 0.41189492102368 15.999 > 41 45 O 0.20187627556861 0.12500000000000 0.58810507897632 15.999 > 45 46 O 0.70187627556861 0.12500000000000 0.58810507897632 15.999 > 45 47 O 0.20187627556861 0.62500000000000 0.58810507897632 15.999 > 45 48 O 0.70187627556861 0.62500000000000 0.58810507897632 15.999 > 45 49 O 0.04385794471647 0.26510871614924 0.31907870834676 15.999 > 49 50 O 0.54385794471647 0.26510871614924 0.31907870834676 15.999 > 49 51 O 0.04385794471647 0.76510871614924 0.31907870834676 15.999 > 49 52 O 0.54385794471647 0.76510871614924 0.31907870834676 15.999 > 49 53 O 0.45614205528353 0.01510871614924 0.68092129165324 15.999 > 53 54 O 0.95614205528353 0.01510871614924 0.68092129165324 15.999 > 53 55 O 0.45614205528353 0.51510871614924 0.68092129165324 15.999 > 53 56 O 0.95614205528353 0.51510871614924 0.68092129165324 15.999 > 53 57 O 0.29385794471647 0.48489128385076 0.18092129165324 15.999 > 57 58 O 0.79385794471647 0.48489128385076 0.18092129165324 15.999 > 57 59 O 0.29385794471647 0.98489128385076 0.18092129165324 15.999 > 57 60 O 0.79385794471647 0.98489128385076 0.18092129165324 15.999 > 57 61 O 0.20614205528353 0.23489128385076 0.81907870834676 15.999 > 61 62 O 0.70614205528353 0.23489128385076 0.81907870834676 15.999 > 61 63 O 0.20614205528353 0.73489128385076 0.81907870834676 15.999 > 61 64 O 0.70614205528353 0.73489128385076 0.81907870834676 15.999 > 61 65 Sr 0.12820485906302 0.12500000000000 0.08375315365579 87.620 > 65 66 Sr 0.62820485906302 0.12500000000000 0.08375315365579 87.620 > 65 67 Sr 0.12820485906302 0.62500000000000 0.08375315365579 87.620 > 65 68 Sr 0.62820485906302 0.62500000000000 0.08375315365579 87.620 > 65 69 Sr 0.37179514093698 0.37500000000000 0.91624684634421 87.620 > 69 70 Sr 0.87179514093698 0.37500000000000 0.91624684634421 87.620 > 69 71 Sr 0.37179514093698 0.87500000000000 0.91624684634421 87.620 > 69 72 Sr 0.87179514093698 0.87500000000000 0.91624684634421 87.620 > 69 73 Sr 0.37820485906302 0.12500000000000 0.41624684634421 87.620 > 73 74 Sr 0.87820485906302 0.12500000000000 0.41624684634421 87.620 > 73 75 Sr 0.37820485906302 0.62500000000000 0.41624684634421 87.620 > 73 76 Sr 0.87820485906302 0.62500000000000 0.41624684634421 87.620 > 73 77 Sr 0.12179514093698 0.37500000000000 0.58375315365579 87.620 > 77 78 Sr 0.62179514093698 0.37500000000000 0.58375315365579 87.620 > 77 79 Sr 0.12179514093698 0.87500000000000 0.58375315365579 87.620 > 77 80 Sr 0.62179514093698 0.87500000000000 0.58375315365579 87.620 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4554252 0.0000000 0.0000000 0.0000000 3.0074808 0.0000000 0.0000000 0.0000000 3.0013801 -------------------------- Born effective charges -------------------------- 1 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 2 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 3 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 4 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 5 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 6 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 7 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 8 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 9 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 10 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 11 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 12 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 13 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 14 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 15 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 16 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 17 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 18 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 19 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 20 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 ---------------------------------------------------------------------------- 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[ 65, 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: -0.00000034 (yzy) -0.00000034 (yzy) -0.00000034 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:49:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:49:51]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.950787340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.102372580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): 1 C 0.41323535426175 0.25000000000000 0.74168940986704 12.011 2 C 0.58676464573825 0.75000000000000 0.25831059013296 12.011 3 C 0.91323535426175 0.25000000000000 0.75831059013296 12.011 4 C 0.08676464573825 0.75000000000000 0.24168940986704 12.011 5 O 0.91228411056706 0.46978256770152 0.68092129165324 15.999 6 O 0.08771588943294 0.96978256770152 0.31907870834676 15.999 7 O 0.41228411056706 0.03021743229848 0.81907870834676 15.999 8 O 0.58771588943294 0.53021743229848 0.18092129165324 15.999 9 O 0.09624744886278 0.75000000000000 0.08810507897632 15.999 10 O 0.90375255113722 0.25000000000000 0.91189492102368 15.999 11 O 0.59624744886278 0.75000000000000 0.41189492102368 15.999 12 O 0.40375255113722 0.25000000000000 0.58810507897632 15.999 13 O 0.08771588943294 0.53021743229848 0.31907870834676 15.999 14 O 0.91228411056706 0.03021743229848 0.68092129165324 15.999 15 O 0.58771588943294 0.96978256770152 0.18092129165324 15.999 16 O 0.41228411056706 0.46978256770152 0.81907870834676 15.999 17 Sr 0.25640971812604 0.25000000000000 0.08375315365579 87.620 18 Sr 0.74359028187396 0.75000000000000 0.91624684634421 87.620 19 Sr 0.75640971812604 0.25000000000000 0.41624684634421 87.620 20 Sr 0.24359028187396 0.75000000000000 0.58375315365579 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.901574680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.204745160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.415017880000001 Atomic positions (fractional): 1 C 0.20661767713087 0.12500000000000 0.74168940986704 12.011 > 1 2 C 0.70661767713087 0.12500000000000 0.74168940986704 12.011 > 1 3 C 0.20661767713087 0.62500000000000 0.74168940986704 12.011 > 1 4 C 0.70661767713087 0.62500000000000 0.74168940986704 12.011 > 1 5 C 0.29338232286913 0.37500000000000 0.25831059013296 12.011 > 5 6 C 0.79338232286913 0.37500000000000 0.25831059013296 12.011 > 5 7 C 0.29338232286913 0.87500000000000 0.25831059013296 12.011 > 5 8 C 0.79338232286913 0.87500000000000 0.25831059013296 12.011 > 5 9 C 0.45661767713087 0.12500000000000 0.75831059013296 12.011 > 9 10 C 0.95661767713087 0.12500000000000 0.75831059013296 12.011 > 9 11 C 0.45661767713087 0.62500000000000 0.75831059013296 12.011 > 9 12 C 0.95661767713087 0.62500000000000 0.75831059013296 12.011 > 9 13 C 0.04338232286913 0.37500000000000 0.24168940986704 12.011 > 13 14 C 0.54338232286913 0.37500000000000 0.24168940986704 12.011 > 13 15 C 0.04338232286913 0.87500000000000 0.24168940986704 12.011 > 13 16 C 0.54338232286913 0.87500000000000 0.24168940986704 12.011 > 13 17 O 0.45614205528353 0.23489128385076 0.68092129165324 15.999 > 17 18 O 0.95614205528353 0.23489128385076 0.68092129165324 15.999 > 17 19 O 0.45614205528353 0.73489128385076 0.68092129165324 15.999 > 17 20 O 0.95614205528353 0.73489128385076 0.68092129165324 15.999 > 17 21 O 0.04385794471647 0.48489128385076 0.31907870834676 15.999 > 21 22 O 0.54385794471647 0.48489128385076 0.31907870834676 15.999 > 21 23 O 0.04385794471647 0.98489128385076 0.31907870834676 15.999 > 21 24 O 0.54385794471647 0.98489128385076 0.31907870834676 15.999 > 21 25 O 0.20614205528353 0.01510871614924 0.81907870834676 15.999 > 25 26 O 0.70614205528353 0.01510871614924 0.81907870834676 15.999 > 25 27 O 0.20614205528353 0.51510871614924 0.81907870834676 15.999 > 25 28 O 0.70614205528353 0.51510871614924 0.81907870834676 15.999 > 25 29 O 0.29385794471647 0.26510871614924 0.18092129165324 15.999 > 29 30 O 0.79385794471647 0.26510871614924 0.18092129165324 15.999 > 29 31 O 0.29385794471647 0.76510871614924 0.18092129165324 15.999 > 29 32 O 0.79385794471647 0.76510871614924 0.18092129165324 15.999 > 29 33 O 0.04812372443139 0.37500000000000 0.08810507897632 15.999 > 33 34 O 0.54812372443139 0.37500000000000 0.08810507897632 15.999 > 33 35 O 0.04812372443139 0.87500000000000 0.08810507897632 15.999 > 33 36 O 0.54812372443139 0.87500000000000 0.08810507897632 15.999 > 33 37 O 0.45187627556861 0.12500000000000 0.91189492102368 15.999 > 37 38 O 0.95187627556861 0.12500000000000 0.91189492102368 15.999 > 37 39 O 0.45187627556861 0.62500000000000 0.91189492102368 15.999 > 37 40 O 0.95187627556861 0.62500000000000 0.91189492102368 15.999 > 37 41 O 0.29812372443139 0.37500000000000 0.41189492102368 15.999 > 41 42 O 0.79812372443139 0.37500000000000 0.41189492102368 15.999 > 41 43 O 0.29812372443139 0.87500000000000 0.41189492102368 15.999 > 41 44 O 0.79812372443139 0.87500000000000 0.41189492102368 15.999 > 41 45 O 0.20187627556861 0.12500000000000 0.58810507897632 15.999 > 45 46 O 0.70187627556861 0.12500000000000 0.58810507897632 15.999 > 45 47 O 0.20187627556861 0.62500000000000 0.58810507897632 15.999 > 45 48 O 0.70187627556861 0.62500000000000 0.58810507897632 15.999 > 45 49 O 0.04385794471647 0.26510871614924 0.31907870834676 15.999 > 49 50 O 0.54385794471647 0.26510871614924 0.31907870834676 15.999 > 49 51 O 0.04385794471647 0.76510871614924 0.31907870834676 15.999 > 49 52 O 0.54385794471647 0.76510871614924 0.31907870834676 15.999 > 49 53 O 0.45614205528353 0.01510871614924 0.68092129165324 15.999 > 53 54 O 0.95614205528353 0.01510871614924 0.68092129165324 15.999 > 53 55 O 0.45614205528353 0.51510871614924 0.68092129165324 15.999 > 53 56 O 0.95614205528353 0.51510871614924 0.68092129165324 15.999 > 53 57 O 0.29385794471647 0.48489128385076 0.18092129165324 15.999 > 57 58 O 0.79385794471647 0.48489128385076 0.18092129165324 15.999 > 57 59 O 0.29385794471647 0.98489128385076 0.18092129165324 15.999 > 57 60 O 0.79385794471647 0.98489128385076 0.18092129165324 15.999 > 57 61 O 0.20614205528353 0.23489128385076 0.81907870834676 15.999 > 61 62 O 0.70614205528353 0.23489128385076 0.81907870834676 15.999 > 61 63 O 0.20614205528353 0.73489128385076 0.81907870834676 15.999 > 61 64 O 0.70614205528353 0.73489128385076 0.81907870834676 15.999 > 61 65 Sr 0.12820485906302 0.12500000000000 0.08375315365579 87.620 > 65 66 Sr 0.62820485906302 0.12500000000000 0.08375315365579 87.620 > 65 67 Sr 0.12820485906302 0.62500000000000 0.08375315365579 87.620 > 65 68 Sr 0.62820485906302 0.62500000000000 0.08375315365579 87.620 > 65 69 Sr 0.37179514093698 0.37500000000000 0.91624684634421 87.620 > 69 70 Sr 0.87179514093698 0.37500000000000 0.91624684634421 87.620 > 69 71 Sr 0.37179514093698 0.87500000000000 0.91624684634421 87.620 > 69 72 Sr 0.87179514093698 0.87500000000000 0.91624684634421 87.620 > 69 73 Sr 0.37820485906302 0.12500000000000 0.41624684634421 87.620 > 73 74 Sr 0.87820485906302 0.12500000000000 0.41624684634421 87.620 > 73 75 Sr 0.37820485906302 0.62500000000000 0.41624684634421 87.620 > 73 76 Sr 0.87820485906302 0.62500000000000 0.41624684634421 87.620 > 73 77 Sr 0.12179514093698 0.37500000000000 0.58375315365579 87.620 > 77 78 Sr 0.62179514093698 0.37500000000000 0.58375315365579 87.620 > 77 79 Sr 0.12179514093698 0.87500000000000 0.58375315365579 87.620 > 77 80 Sr 0.62179514093698 0.87500000000000 0.58375315365579 87.620 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4554252 0.0000000 0.0000000 0.0000000 3.0074808 0.0000000 0.0000000 0.0000000 3.0013801 -------------------------- Born effective charges -------------------------- 1 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 2 C 0.3254337 0.0000000 0.0268578 0.0000000 2.7752305 0.0000000 0.0515202 0.0000000 2.8199036 3 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 4 C 0.3254337 0.0000000 -0.0268578 0.0000000 2.7752305 0.0000000 -0.0515202 0.0000000 2.8199036 5 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 6 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 7 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 8 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 9 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 10 O -0.9057094 0.0000000 -0.1101940 0.0000000 -1.2571693 0.0000000 -0.1534457 0.0000000 -2.2957092 11 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 12 O -0.9057094 0.0000000 0.1101940 0.0000000 -1.2571693 0.0000000 0.1534457 0.0000000 -2.2957092 13 O -0.9002129 -0.0956001 0.0652474 -0.1471513 -2.0712580 0.4228138 0.0886103 0.4477033 -1.5508081 14 O -0.9002129 0.0956001 0.0652474 0.1471513 -2.0712580 -0.4228138 0.0886103 -0.4477033 -1.5508081 15 O -0.9002129 0.0956001 -0.0652474 0.1471513 -2.0712580 0.4228138 -0.0886103 0.4477033 -1.5508081 16 O -0.9002129 -0.0956001 -0.0652474 -0.1471513 -2.0712580 -0.4228138 -0.0886103 -0.4477033 -1.5508081 17 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 18 Sr 2.3807015 0.0000000 -0.0589987 0.0000000 2.6244547 0.0000000 0.1083780 0.0000000 2.5774217 19 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 20 Sr 2.3807015 0.0000000 0.0589987 0.0000000 2.6244547 0.0000000 -0.1083780 0.0000000 2.5774217 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000034 (yzy) -0.00000034 (yzy) -0.00000034 (yyz) 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 ... [ 8 10 6 ] 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: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 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 2.989 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 20.006 ( 0.000 0.000 0.000) 0.000 20.090 ( 0.000 0.000 0.000) 0.000 20.117 ( 0.000 0.000 0.000) 0.000 20.178 ( 0.000 0.000 0.000) 0.000 20.287 ( 0.000 0.000 0.000) 0.000 20.454 ( 0.000 0.000 0.000) 0.000 20.517 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.416 ( 0.000 0.000 0.000) 0.000 25.480 ( 0.000 0.000 0.000) 0.000 25.509 ( 0.000 0.000 0.000) 0.000 31.834 ( 0.000 0.000 0.000) 0.000 31.870 ( 0.000 0.000 0.000) 0.000 31.873 ( 0.000 0.000 0.000) 0.000 31.908 ( 0.000 0.000 0.000) 0.000 41.772 ( 0.000 0.000 0.000) 0.000 42.299 ( 0.000 0.000 0.000) 0.000 43.038 ( 0.000 0.000 0.000) 0.000 43.093 ( 0.000 0.000 0.000) 0.000 43.142 ( 0.000 0.000 0.000) 0.000 43.403 ( 0.000 0.000 0.000) 0.000 43.404 ( 0.000 0.000 0.000) 0.000 46.230 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 25.933 0.000 0.000) 25.933 0.626 ( 29.407 0.000 0.000) 29.407 0.923 ( 43.691 0.000 0.000) 43.691 2.905 ( -8.028 0.000 0.000) 8.028 2.933 ( -5.284 0.000 0.000) 5.284 3.022 ( -0.311 0.000 0.000) 0.311 3.072 ( -0.960 0.000 0.000) 0.960 3.262 ( -10.687 0.000 0.000) 10.687 3.791 ( -8.968 0.000 0.000) 8.968 3.895 ( 11.704 0.000 0.000) 11.704 4.076 ( 5.579 0.000 0.000) 5.579 4.362 ( 3.762 0.000 0.000) 3.762 4.425 ( 8.979 0.000 0.000) 8.979 4.860 ( 8.183 0.000 0.000) 8.183 4.912 ( 1.256 0.000 0.000) 1.256 5.041 ( -9.608 0.000 0.000) 9.608 5.107 ( 3.705 0.000 0.000) 3.705 5.116 ( -2.949 0.000 0.000) 2.949 5.154 ( 1.029 0.000 0.000) 1.029 5.320 ( -0.398 0.000 0.000) 0.398 5.394 ( 4.382 0.000 0.000) 4.382 5.403 ( 0.571 0.000 0.000) 0.571 5.494 ( 5.161 0.000 0.000) 5.161 5.515 ( 0.949 0.000 0.000) 0.949 5.732 ( -0.576 0.000 0.000) 0.576 5.829 ( -0.173 0.000 0.000) 0.173 6.302 ( -1.468 0.000 0.000) 1.468 6.481 ( 2.060 0.000 0.000) 2.060 6.871 ( -6.208 0.000 0.000) 6.208 6.892 ( -5.063 0.000 0.000) 5.063 7.269 ( -6.603 0.000 0.000) 6.603 7.322 ( 1.385 0.000 0.000) 1.385 7.607 ( -8.168 0.000 0.000) 8.168 7.806 ( 4.043 0.000 0.000) 4.043 7.817 ( 0.617 0.000 0.000) 0.617 8.314 ( -0.964 0.000 0.000) 0.964 19.975 ( 0.362 0.000 0.000) 0.362 20.014 ( 0.676 0.000 0.000) 0.676 20.085 ( -0.452 0.000 0.000) 0.452 20.124 ( 0.640 0.000 0.000) 0.640 20.171 ( -0.590 0.000 0.000) 0.590 20.281 ( -0.567 0.000 0.000) 0.567 20.456 ( 0.217 0.000 0.000) 0.217 20.514 ( -0.285 0.000 0.000) 0.285 24.469 ( 4.988 0.000 0.000) 4.988 24.849 ( 2.449 0.000 0.000) 2.449 25.452 ( -2.653 0.000 0.000) 2.653 25.482 ( -2.556 0.000 0.000) 2.556 31.837 ( 0.222 0.000 0.000) 0.222 31.874 ( 0.078 0.000 0.000) 0.078 31.883 ( -0.262 0.000 0.000) 0.262 31.906 ( -0.211 0.000 0.000) 0.211 41.819 ( 4.432 0.000 0.000) 4.432 42.341 ( 3.927 0.000 0.000) 3.927 43.020 ( -0.104 0.000 0.000) 0.104 43.083 ( -5.540 0.000 0.000) 5.540 43.224 ( 10.660 0.000 0.000) 10.660 43.364 ( -3.814 0.000 0.000) 3.814 43.383 ( -1.867 0.000 0.000) 1.867 46.088 ( -13.141 0.000 0.000) 13.141 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 25.432 0.000 0.000) 25.432 1.227 ( 27.539 0.000 0.000) 27.539 1.828 ( 42.239 0.000 0.000) 42.239 2.747 ( -5.791 0.000 0.000) 5.791 2.773 ( -9.668 0.000 0.000) 9.668 2.964 ( -16.759 0.000 0.000) 16.759 3.015 ( -0.334 0.000 0.000) 0.334 3.049 ( -1.404 0.000 0.000) 1.404 3.528 ( -15.381 0.000 0.000) 15.381 4.186 ( 14.872 0.000 0.000) 14.872 4.217 ( 6.992 0.000 0.000) 6.992 4.437 ( 2.708 0.000 0.000) 2.708 4.673 ( 13.594 0.000 0.000) 13.594 4.709 ( -20.426 0.000 0.000) 20.426 4.951 ( 2.521 0.000 0.000) 2.521 5.056 ( 7.598 0.000 0.000) 7.598 5.093 ( 0.093 0.000 0.000) 0.093 5.199 ( 3.043 0.000 0.000) 3.043 5.213 ( 5.694 0.000 0.000) 5.694 5.331 ( -0.957 0.000 0.000) 0.957 5.394 ( 2.908 0.000 0.000) 2.908 5.508 ( 6.179 0.000 0.000) 6.179 5.565 ( 3.539 0.000 0.000) 3.539 5.608 ( 4.868 0.000 0.000) 4.868 5.735 ( 1.644 0.000 0.000) 1.644 5.825 ( -0.108 0.000 0.000) 0.108 6.266 ( -1.512 0.000 0.000) 1.512 6.533 ( 1.477 0.000 0.000) 1.477 6.682 ( -11.481 0.000 0.000) 11.481 6.748 ( -6.919 0.000 0.000) 6.919 7.069 ( -12.233 0.000 0.000) 12.233 7.375 ( 3.636 0.000 0.000) 3.636 7.407 ( -10.551 0.000 0.000) 10.551 7.794 ( -2.661 0.000 0.000) 2.661 7.913 ( 5.771 0.000 0.000) 5.771 8.282 ( -2.082 0.000 0.000) 2.082 19.986 ( 0.727 0.000 0.000) 0.727 20.034 ( 1.189 0.000 0.000) 1.189 20.071 ( -0.831 0.000 0.000) 0.831 20.144 ( 1.158 0.000 0.000) 1.158 20.154 ( -1.092 0.000 0.000) 1.092 20.263 ( -1.083 0.000 0.000) 1.083 20.463 ( 0.418 0.000 0.000) 0.418 20.506 ( -0.456 0.000 0.000) 0.456 24.616 ( 8.698 0.000 0.000) 8.698 24.923 ( 4.470 0.000 0.000) 4.470 25.370 ( -5.181 0.000 0.000) 5.181 25.403 ( -4.858 0.000 0.000) 4.858 31.844 ( 0.469 0.000 0.000) 0.469 31.876 ( 0.040 0.000 0.000) 0.040 31.877 ( -0.291 0.000 0.000) 0.291 31.899 ( -0.429 0.000 0.000) 0.429 41.955 ( 8.357 0.000 0.000) 8.357 42.460 ( 7.301 0.000 0.000) 7.301 42.919 ( -9.826 0.000 0.000) 9.826 43.038 ( 1.752 0.000 0.000) 1.752 43.247 ( -7.240 0.000 0.000) 7.240 43.328 ( -3.318 0.000 0.000) 3.318 43.530 ( 18.445 0.000 0.000) 18.445 45.701 ( -23.066 0.000 0.000) 23.066 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 24.459 0.000 0.000) 24.459 1.771 ( 23.886 0.000 0.000) 23.886 2.533 ( -12.775 0.000 0.000) 12.775 2.568 ( -20.539 0.000 0.000) 20.539 2.689 ( 38.862 0.000 0.000) 38.862 2.701 ( 2.144 0.000 0.000) 2.144 3.010 ( -0.098 0.000 0.000) 0.098 3.026 ( -0.899 0.000 0.000) 0.899 3.177 ( -16.967 0.000 0.000) 16.967 4.142 ( -27.318 0.000 0.000) 27.318 4.346 ( 5.097 0.000 0.000) 5.097 4.462 ( -0.308 0.000 0.000) 0.308 4.563 ( 14.623 0.000 0.000) 14.623 4.940 ( 10.287 0.000 0.000) 10.287 5.016 ( 3.305 0.000 0.000) 3.305 5.092 ( -4.301 0.000 0.000) 4.301 5.110 ( 1.374 0.000 0.000) 1.374 5.218 ( -6.046 0.000 0.000) 6.046 5.266 ( 2.862 0.000 0.000) 2.862 5.300 ( 1.895 0.000 0.000) 1.895 5.610 ( 7.673 0.000 0.000) 7.673 5.641 ( 6.208 0.000 0.000) 6.208 5.678 ( 1.648 0.000 0.000) 1.648 5.679 ( 12.848 0.000 0.000) 12.848 5.799 ( 0.642 0.000 0.000) 0.642 5.863 ( 7.417 0.000 0.000) 7.417 6.274 ( 3.631 0.000 0.000) 3.631 6.388 ( -14.003 0.000 0.000) 14.003 6.404 ( -14.537 0.000 0.000) 14.537 6.762 ( 7.040 0.000 0.000) 7.040 6.772 ( -15.464 0.000 0.000) 15.464 7.176 ( -11.091 0.000 0.000) 11.091 7.472 ( 5.407 0.000 0.000) 5.407 7.711 ( -5.014 0.000 0.000) 5.014 8.035 ( 5.620 0.000 0.000) 5.620 8.226 ( -3.318 0.000 0.000) 3.318 20.004 ( 1.010 0.000 0.000) 1.010 20.051 ( -1.073 0.000 0.000) 1.073 20.062 ( 1.492 0.000 0.000) 1.492 20.127 ( -1.435 0.000 0.000) 1.435 20.172 ( 1.479 0.000 0.000) 1.479 20.236 ( -1.442 0.000 0.000) 1.442 20.473 ( 0.532 0.000 0.000) 0.532 20.496 ( -0.524 0.000 0.000) 0.524 24.820 ( 10.397 0.000 0.000) 10.397 25.032 ( 5.761 0.000 0.000) 5.761 25.231 ( -8.049 0.000 0.000) 8.049 25.287 ( -5.911 0.000 0.000) 5.911 31.856 ( 0.638 0.000 0.000) 0.638 31.872 ( -0.149 0.000 0.000) 0.149 31.876 ( -0.025 0.000 0.000) 0.025 31.888 ( -0.589 0.000 0.000) 0.589 42.163 ( 11.267 0.000 0.000) 11.267 42.640 ( 9.610 0.000 0.000) 9.610 42.683 ( -12.256 0.000 0.000) 12.256 43.067 ( -9.617 0.000 0.000) 9.617 43.090 ( 3.078 0.000 0.000) 3.078 43.249 ( -4.038 0.000 0.000) 4.038 43.988 ( 24.787 0.000 0.000) 24.787 45.154 ( -28.128 0.000 0.000) 28.128 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -22.893 0.000 0.000) 22.893 2.110 ( 22.893 0.000 0.000) 22.893 2.213 ( -17.930 0.000 0.000) 17.930 2.213 ( 17.930 0.000 0.000) 17.930 2.852 ( -11.996 0.000 0.000) 11.996 2.852 ( 11.996 0.000 0.000) 11.996 3.012 ( -0.347 0.000 0.000) 0.347 3.012 ( 0.347 0.000 0.000) 0.347 3.476 ( -34.844 0.000 0.000) 34.844 3.476 ( 34.844 0.000 0.000) 34.844 4.429 ( -2.785 0.000 0.000) 2.785 4.429 ( 2.785 0.000 0.000) 2.785 4.879 ( -13.961 0.000 0.000) 13.961 4.879 ( 13.961 0.000 0.000) 13.961 5.056 ( -0.738 0.000 0.000) 0.738 5.056 ( 0.738 0.000 0.000) 0.738 5.145 ( -2.034 0.000 0.000) 2.034 5.145 ( 2.034 0.000 0.000) 2.034 5.306 ( -0.877 0.000 0.000) 0.877 5.306 ( 0.877 0.000 0.000) 0.877 5.678 ( -1.461 0.000 0.000) 1.461 5.678 ( 1.461 0.000 0.000) 1.461 5.755 ( -4.150 0.000 0.000) 4.150 5.755 ( 4.150 0.000 0.000) 4.150 6.043 ( -17.959 0.000 0.000) 17.959 6.043 ( 17.959 0.000 0.000) 17.959 6.100 ( -13.652 0.000 0.000) 13.652 6.100 ( 13.652 0.000 0.000) 13.652 6.456 ( -13.227 0.000 0.000) 13.227 6.456 ( 13.227 0.000 0.000) 13.227 6.950 ( -10.196 0.000 0.000) 10.196 6.950 ( 10.196 0.000 0.000) 10.196 7.593 ( -5.960 0.000 0.000) 5.960 7.593 ( 5.960 0.000 0.000) 5.960 8.143 ( -4.588 0.000 0.000) 4.588 8.143 ( 4.588 0.000 0.000) 4.588 20.027 ( -1.136 0.000 0.000) 1.136 20.027 ( 1.136 0.000 0.000) 1.136 20.095 ( -1.575 0.000 0.000) 1.575 20.095 ( 1.575 0.000 0.000) 1.575 20.204 ( -1.576 0.000 0.000) 1.576 20.204 ( 1.576 0.000 0.000) 1.576 20.485 ( -0.550 0.000 0.000) 0.550 20.485 ( 0.550 0.000 0.000) 0.550 25.038 ( -10.047 0.000 0.000) 10.047 25.038 ( 10.047 0.000 0.000) 10.047 25.159 ( -6.209 0.000 0.000) 6.209 25.159 ( 6.209 0.000 0.000) 6.209 31.868 ( -0.380 0.000 0.000) 0.380 31.868 ( 0.380 0.000 0.000) 0.380 31.877 ( -0.296 0.000 0.000) 0.296 31.877 ( 0.296 0.000 0.000) 0.296 42.418 ( -12.687 0.000 0.000) 12.687 42.418 ( 12.687 0.000 0.000) 12.687 42.854 ( -10.447 0.000 0.000) 10.447 42.854 ( 10.447 0.000 0.000) 10.447 43.164 ( -3.916 0.000 0.000) 3.916 43.164 ( 3.916 0.000 0.000) 3.916 44.553 ( -28.391 0.000 0.000) 28.391 44.553 ( 28.391 0.000 0.000) 28.391 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 25.822 0.000) 25.822 0.654 ( 0.000 33.278 0.000) 33.278 1.253 ( 0.000 62.162 0.000) 62.162 2.996 ( 0.000 0.723 0.000) 0.723 2.998 ( 0.000 -0.058 0.000) 0.058 3.117 ( 0.000 2.599 0.000) 2.599 3.207 ( 0.000 16.499 0.000) 16.499 3.470 ( 0.000 7.053 0.000) 7.053 3.765 ( 0.000 1.469 0.000) 1.469 3.850 ( 0.000 -3.352 0.000) 3.352 4.275 ( 0.000 5.309 0.000) 5.309 4.322 ( 0.000 -0.441 0.000) 0.441 4.363 ( 0.000 4.019 0.000) 4.019 4.721 ( 0.000 -3.851 0.000) 3.851 4.998 ( 0.000 7.017 0.000) 7.017 5.008 ( 0.000 -2.668 0.000) 2.668 5.042 ( 0.000 -2.157 0.000) 2.157 5.053 ( 0.000 -10.406 0.000) 10.406 5.056 ( 0.000 -2.455 0.000) 2.455 5.250 ( 0.000 8.338 0.000) 8.338 5.401 ( 0.000 0.771 0.000) 0.771 5.428 ( 0.000 0.286 0.000) 0.286 5.432 ( 0.000 8.918 0.000) 8.918 5.526 ( 0.000 12.116 0.000) 12.116 5.563 ( 0.000 -1.805 0.000) 1.805 5.844 ( 0.000 9.527 0.000) 9.527 6.330 ( 0.000 1.300 0.000) 1.300 6.459 ( 0.000 0.016 0.000) 0.016 6.894 ( 0.000 -2.352 0.000) 2.352 6.964 ( 0.000 -0.852 0.000) 0.852 7.304 ( 0.000 -3.359 0.000) 3.359 7.317 ( 0.000 1.683 0.000) 1.683 7.691 ( 0.000 -2.834 0.000) 2.834 7.777 ( 0.000 1.571 0.000) 1.571 7.777 ( 0.000 -2.531 0.000) 2.531 8.685 ( 0.000 -4.447 0.000) 4.447 20.010 ( 0.000 3.793 0.000) 3.793 20.025 ( 0.000 1.871 0.000) 1.871 20.108 ( 0.000 -0.378 0.000) 0.378 20.175 ( 0.000 2.386 0.000) 2.386 20.185 ( 0.000 0.713 0.000) 0.713 20.281 ( 0.000 -0.556 0.000) 0.556 20.443 ( 0.000 -1.100 0.000) 1.100 20.481 ( 0.000 -3.438 0.000) 3.438 24.395 ( 0.000 -0.059 0.000) 0.059 24.414 ( 0.000 -0.157 0.000) 0.157 25.480 ( 0.000 -0.052 0.000) 0.052 25.506 ( 0.000 -0.215 0.000) 0.215 31.816 ( 0.000 -1.724 0.000) 1.724 31.862 ( 0.000 -0.865 0.000) 0.865 31.862 ( 0.000 -1.091 0.000) 1.091 31.898 ( 0.000 -1.017 0.000) 1.017 41.835 ( 0.000 6.187 0.000) 6.187 42.336 ( 0.000 3.577 0.000) 3.577 42.921 ( 0.000 -8.022 0.000) 8.022 43.057 ( 0.000 -3.622 0.000) 3.622 43.420 ( 0.000 1.800 0.000) 1.800 43.641 ( 0.000 19.980 0.000) 19.980 46.091 ( 0.000 -13.765 0.000) 13.765 46.169 ( 0.000 -1.308 0.000) 1.308 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 23.451 17.207 0.000) 29.086 0.898 ( 19.765 23.497 0.000) 30.705 1.482 ( 21.667 49.510 0.000) 54.043 2.900 ( -6.882 -0.171 0.000) 6.884 2.904 ( -6.765 1.012 0.000) 6.841 3.135 ( 0.599 5.048 0.000) 5.083 3.212 ( -0.092 16.291 0.000) 16.292 3.349 ( -10.595 7.048 0.000) 12.725 3.767 ( -7.807 -2.083 0.000) 8.080 3.882 ( 10.041 -0.764 0.000) 10.070 4.221 ( 0.960 9.509 0.000) 9.557 4.397 ( 2.630 2.840 0.000) 3.871 4.437 ( 9.281 1.103 0.000) 9.346 4.753 ( 8.113 -8.194 0.000) 11.531 4.948 ( -8.218 -6.370 0.000) 10.398 5.009 ( 0.785 5.437 0.000) 5.493 5.045 ( 1.256 -3.532 0.000) 3.748 5.071 ( 0.647 -1.988 0.000) 2.091 5.258 ( 1.056 8.815 0.000) 8.878 5.318 ( 6.177 -4.666 0.000) 7.741 5.431 ( 1.110 6.394 0.000) 6.490 5.433 ( 3.035 2.362 0.000) 3.846 5.508 ( 1.320 -0.038 0.000) 1.321 5.568 ( 3.856 9.365 0.000) 10.128 5.686 ( 14.590 -5.581 0.000) 15.621 5.840 ( -0.143 10.000 0.000) 10.001 6.312 ( -1.691 1.149 0.000) 2.045 6.480 ( 1.943 -0.048 0.000) 1.943 6.828 ( -6.085 -2.342 0.000) 6.520 6.927 ( -3.790 0.912 0.000) 3.899 7.229 ( -6.105 -3.463 0.000) 7.019 7.328 ( 0.359 0.889 0.000) 0.959 7.585 ( -7.872 -2.194 0.000) 8.172 7.802 ( 0.258 -2.499 0.000) 2.512 7.805 ( 2.619 0.039 0.000) 2.619 8.447 ( -13.720 3.751 0.000) 14.223 20.011 ( 0.158 3.457 0.000) 3.461 20.033 ( 0.719 2.037 0.000) 2.160 20.111 ( 0.231 -0.228 0.000) 0.325 20.138 ( -1.785 3.232 0.000) 3.692 20.180 ( -0.497 0.796 0.000) 0.938 20.275 ( -0.559 -0.543 0.000) 0.779 20.445 ( 0.212 -1.099 0.000) 1.119 20.480 ( -0.076 -3.253 0.000) 3.254 24.468 ( 4.993 -0.152 0.000) 4.996 24.612 ( 12.625 -10.661 0.000) 16.524 25.451 ( -2.678 -0.077 0.000) 2.679 25.480 ( -2.581 -0.235 0.000) 2.592 31.819 ( 0.210 -1.731 0.000) 1.744 31.861 ( -0.053 -1.505 0.000) 1.506 31.863 ( 0.094 -1.075 0.000) 1.079 31.888 ( -0.620 -1.125 0.000) 1.284 41.887 ( 4.944 6.696 0.000) 8.324 42.383 ( 4.390 4.056 0.000) 5.977 42.918 ( 0.299 -7.090 0.000) 7.097 43.168 ( 9.704 -4.327 0.000) 10.625 43.397 ( -2.120 1.527 0.000) 2.612 43.587 ( -5.048 19.225 0.000) 19.877 44.697 ( -75.856 76.105 0.000) 107.453 45.955 ( -12.616 -13.204 0.000) 18.262 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 22.188 16.849 0.000) 27.860 1.370 ( 23.653 13.922 0.000) 27.446 2.092 ( 33.880 27.754 0.000) 43.797 2.736 ( -8.730 -1.053 0.000) 8.793 2.772 ( -4.919 3.214 0.000) 5.876 3.060 ( -16.219 7.900 0.000) 18.040 3.140 ( 0.137 8.144 0.000) 8.145 3.188 ( -2.489 13.806 0.000) 14.028 3.544 ( -12.572 2.570 0.000) 12.832 4.145 ( 14.138 -3.811 0.000) 14.642 4.299 ( 4.981 6.993 0.000) 8.586 4.443 ( 0.706 0.147 0.000) 0.721 4.675 ( -16.852 -2.549 0.000) 17.044 4.687 ( 13.558 1.237 0.000) 13.614 5.004 ( 13.277 -6.979 0.000) 15.000 5.030 ( 1.211 4.874 0.000) 5.022 5.090 ( 3.571 -5.792 0.000) 6.804 5.096 ( 1.761 1.728 0.000) 2.467 5.307 ( 3.502 9.724 0.000) 10.335 5.313 ( -4.874 -2.877 0.000) 5.660 5.480 ( 3.779 7.106 0.000) 8.048 5.520 ( 4.797 2.160 0.000) 5.261 5.548 ( 3.298 -0.466 0.000) 3.331 5.668 ( 5.055 6.697 0.000) 8.390 5.834 ( 1.321 7.989 0.000) 8.097 5.933 ( 7.070 8.041 0.000) 10.707 6.268 ( -2.070 0.428 0.000) 2.114 6.514 ( -1.798 -1.445 0.000) 2.306 6.670 ( -5.891 -0.937 0.000) 5.965 6.795 ( -8.518 3.683 0.000) 9.280 7.045 ( -11.389 -2.510 0.000) 11.662 7.357 ( 2.768 -1.325 0.000) 3.069 7.392 ( -10.196 -1.460 0.000) 10.300 7.770 ( -3.139 -2.526 0.000) 4.029 7.879 ( 4.114 -3.194 0.000) 5.208 8.242 ( -6.496 -3.711 0.000) 7.481 20.018 ( 0.517 3.071 0.000) 3.115 20.053 ( 1.119 1.962 0.000) 2.259 20.099 ( -1.136 2.362 0.000) 2.621 20.133 ( 0.742 -0.377 0.000) 0.832 20.166 ( -0.715 1.004 0.000) 1.233 20.258 ( -1.072 -0.513 0.000) 1.188 20.451 ( 0.373 -1.135 0.000) 1.194 20.477 ( -0.156 -2.746 0.000) 2.750 24.615 ( 8.708 -0.135 0.000) 8.709 24.825 ( 8.341 -7.536 0.000) 11.241 25.369 ( -5.194 -0.136 0.000) 5.196 25.399 ( -5.002 -0.370 0.000) 5.016 31.825 ( 0.416 -1.782 0.000) 1.830 31.859 ( -0.162 -1.948 0.000) 1.955 31.865 ( 0.072 -1.023 0.000) 1.026 31.877 ( -0.452 -1.355 0.000) 1.429 42.040 ( 9.479 8.302 0.000) 12.600 42.517 ( 8.208 5.487 0.000) 9.873 42.939 ( 1.429 -5.517 0.000) 5.700 43.334 ( -3.739 0.781 0.000) 3.819 43.350 ( -5.452 12.515 0.000) 13.651 43.519 ( 10.549 3.437 0.000) 11.095 43.653 ( -29.176 48.115 0.000) 56.269 45.582 ( -22.198 -11.721 0.000) 25.103 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 21.912 14.604 0.000) 26.333 1.852 ( 21.573 8.428 0.000) 23.161 2.528 ( -10.933 1.013 0.000) 10.980 2.677 ( -17.701 9.197 0.000) 19.948 2.736 ( -0.225 3.691 0.000) 3.698 2.830 ( 34.924 14.927 0.000) 37.981 3.076 ( -9.240 3.793 0.000) 9.988 3.152 ( 1.151 11.577 0.000) 11.634 3.302 ( -8.304 13.752 0.000) 16.065 4.151 ( -24.578 1.357 0.000) 24.616 4.394 ( 3.729 4.187 0.000) 5.607 4.451 ( 5.960 -3.786 0.000) 7.060 4.529 ( 8.078 -0.604 0.000) 8.101 4.952 ( 10.176 0.819 0.000) 10.209 5.059 ( 1.401 3.101 0.000) 3.403 5.071 ( -5.877 -2.408 0.000) 6.351 5.135 ( 1.507 2.438 0.000) 2.866 5.152 ( -3.459 -5.178 0.000) 6.227 5.349 ( 10.624 0.596 0.000) 10.640 5.387 ( 3.637 10.931 0.000) 11.520 5.595 ( 6.113 1.072 0.000) 6.207 5.615 ( 3.652 0.234 0.000) 3.660 5.625 ( 5.972 0.782 0.000) 6.023 5.766 ( 4.297 7.325 0.000) 8.493 5.882 ( 2.061 8.043 0.000) 8.302 6.064 ( 7.274 13.838 0.000) 15.633 6.263 ( 3.097 -1.172 0.000) 3.311 6.288 ( -15.815 -4.134 0.000) 16.347 6.540 ( -12.052 7.803 0.000) 14.358 6.716 ( -4.636 -3.077 0.000) 5.565 6.798 ( -3.482 1.072 0.000) 3.644 7.168 ( -10.814 -0.777 0.000) 10.842 7.442 ( 5.101 -2.755 0.000) 5.798 7.680 ( -5.220 -3.057 0.000) 6.049 7.969 ( 4.273 -6.352 0.000) 7.656 8.137 ( -4.100 -8.238 0.000) 9.201 20.033 ( 0.834 2.720 0.000) 2.845 20.075 ( -1.102 2.313 0.000) 2.562 20.079 ( 1.338 1.675 0.000) 2.144 20.134 ( -0.967 0.582 0.000) 1.129 20.169 ( 1.167 -0.022 0.000) 1.167 20.231 ( -1.433 -0.475 0.000) 1.510 20.460 ( 0.407 -1.290 0.000) 1.353 20.473 ( -0.227 -2.144 0.000) 2.156 24.819 ( 10.408 -0.111 0.000) 10.409 24.987 ( 7.367 -3.959 0.000) 8.363 25.230 ( -8.031 -0.115 0.000) 8.032 25.278 ( -6.303 -0.890 0.000) 6.366 31.835 ( 0.535 -1.924 0.000) 1.997 31.854 ( -0.282 -2.100 0.000) 2.119 31.866 ( -0.002 -0.953 0.000) 0.953 31.869 ( -0.264 -1.188 0.000) 1.217 42.280 ( 13.255 11.251 0.000) 17.386 42.720 ( 10.840 7.808 0.000) 13.359 42.910 ( -9.969 9.769 0.000) 13.958 43.082 ( -7.164 12.769 0.000) 14.642 43.247 ( -4.354 -0.130 0.000) 4.356 43.277 ( -11.737 16.673 0.000) 20.390 43.930 ( 23.801 -5.686 0.000) 24.471 45.056 ( -27.147 -9.762 0.000) 28.849 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -1.825 9.591 0.000) 9.763 2.235 ( 1.825 9.591 0.000) 9.763 2.268 ( -3.453 6.561 0.000) 7.414 2.268 ( 3.453 6.561 0.000) 7.414 2.850 ( -9.597 1.551 0.000) 9.722 2.850 ( 9.597 1.551 0.000) 9.722 3.193 ( -2.792 15.311 0.000) 15.563 3.193 ( 2.792 15.311 0.000) 15.563 3.544 ( -31.828 7.443 0.000) 32.687 3.544 ( 31.828 7.443 0.000) 32.687 4.452 ( -1.845 1.921 0.000) 2.664 4.452 ( 1.845 1.921 0.000) 2.664 4.823 ( -14.507 -5.583 0.000) 15.544 4.823 ( 14.507 -5.583 0.000) 15.544 5.072 ( -1.222 1.598 0.000) 2.012 5.072 ( 1.222 1.598 0.000) 2.012 5.144 ( -0.584 0.142 0.000) 0.601 5.144 ( 0.584 0.142 0.000) 0.601 5.439 ( -0.636 11.195 0.000) 11.213 5.439 ( 0.636 11.195 0.000) 11.213 5.651 ( -0.465 -0.968 0.000) 1.074 5.651 ( 0.465 -0.968 0.000) 1.074 5.837 ( -0.267 5.867 0.000) 5.873 5.837 ( 0.267 5.867 0.000) 5.873 5.940 ( -13.906 -2.297 0.000) 14.094 5.940 ( 13.906 -2.297 0.000) 14.094 6.274 ( -12.164 10.917 0.000) 16.344 6.274 ( 12.164 10.917 0.000) 16.344 6.441 ( -13.089 -1.541 0.000) 13.179 6.441 ( 13.089 -1.541 0.000) 13.179 6.948 ( -9.871 -0.191 0.000) 9.873 6.948 ( 9.871 -0.191 0.000) 9.873 7.560 ( -5.919 -3.195 0.000) 6.727 7.560 ( 5.919 -3.195 0.000) 6.727 8.055 ( -3.932 -8.424 0.000) 9.296 8.055 ( 3.932 -8.424 0.000) 9.296 20.052 ( -1.028 2.436 0.000) 2.644 20.052 ( 1.028 2.436 0.000) 2.644 20.108 ( -1.364 1.272 0.000) 1.865 20.108 ( 1.364 1.272 0.000) 1.865 20.199 ( -1.551 -0.409 0.000) 1.604 20.199 ( 1.551 -0.409 0.000) 1.604 20.468 ( -0.328 -1.628 0.000) 1.661 20.468 ( 0.328 -1.628 0.000) 1.661 25.037 ( -10.048 -0.097 0.000) 10.049 25.037 ( 10.048 -0.097 0.000) 10.049 25.138 ( -6.983 -1.962 0.000) 7.254 25.138 ( 6.983 -1.962 0.000) 7.254 31.846 ( -0.479 -2.116 0.000) 2.170 31.846 ( 0.479 -2.116 0.000) 2.170 31.866 ( -0.041 -0.943 0.000) 0.944 31.866 ( 0.041 -0.943 0.000) 0.944 42.590 ( -15.976 15.698 0.000) 22.398 42.590 ( 15.976 15.698 0.000) 22.398 42.954 ( -10.502 9.909 0.000) 14.439 42.954 ( 10.502 9.909 0.000) 14.439 43.168 ( -2.099 0.797 0.000) 2.245 43.168 ( 2.099 0.797 0.000) 2.245 44.475 ( -27.446 -7.727 0.000) 28.513 44.475 ( 27.446 -7.727 0.000) 28.513 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 25.377 0.000) 25.377 1.299 ( 0.000 32.361 0.000) 32.361 2.394 ( 0.000 52.430 0.000) 52.430 3.015 ( 0.000 1.631 0.000) 1.631 3.038 ( 0.000 4.468 0.000) 4.468 3.155 ( 0.000 1.147 0.000) 1.147 3.558 ( 0.000 16.367 0.000) 16.367 3.590 ( 0.000 4.204 0.000) 4.204 3.773 ( 0.000 -3.997 0.000) 3.997 3.807 ( 0.000 1.716 0.000) 1.716 4.310 ( 0.000 -0.739 0.000) 0.739 4.378 ( 0.000 3.725 0.000) 3.725 4.439 ( 0.000 3.459 0.000) 3.459 4.681 ( 0.000 1.490 0.000) 1.490 4.801 ( 0.000 -14.992 0.000) 14.992 4.957 ( 0.000 -2.057 0.000) 2.057 4.968 ( 0.000 -2.334 0.000) 2.334 5.009 ( 0.000 -1.953 0.000) 1.953 5.127 ( 0.000 1.940 0.000) 1.940 5.386 ( 0.000 -2.042 0.000) 2.042 5.439 ( 0.000 0.253 0.000) 0.253 5.523 ( 0.000 -2.034 0.000) 2.034 5.551 ( 0.000 21.970 0.000) 21.970 5.636 ( 0.000 11.300 0.000) 11.300 5.855 ( 0.000 19.950 0.000) 19.950 6.065 ( 0.000 11.645 0.000) 11.645 6.381 ( 0.000 4.706 0.000) 4.706 6.460 ( 0.000 0.123 0.000) 0.123 6.828 ( 0.000 -5.320 0.000) 5.320 6.917 ( 0.000 -2.071 0.000) 2.071 7.221 ( 0.000 -4.732 0.000) 4.732 7.401 ( 0.000 6.521 0.000) 6.521 7.612 ( 0.000 -5.095 0.000) 5.095 7.714 ( 0.000 -3.518 0.000) 3.518 7.813 ( 0.000 1.881 0.000) 1.881 8.555 ( 0.000 -8.822 0.000) 8.822 20.077 ( 0.000 3.375 0.000) 3.375 20.103 ( 0.000 5.190 0.000) 5.190 20.108 ( 0.000 0.309 0.000) 0.309 20.200 ( 0.000 0.470 0.000) 0.470 20.227 ( 0.000 2.828 0.000) 2.828 20.267 ( 0.000 -0.759 0.000) 0.759 20.401 ( 0.000 -4.011 0.000) 4.011 20.414 ( 0.000 -1.719 0.000) 1.719 24.393 ( 0.000 -0.081 0.000) 0.081 24.410 ( 0.000 -0.270 0.000) 0.270 25.479 ( 0.000 -0.062 0.000) 0.062 25.501 ( 0.000 -0.354 0.000) 0.354 31.774 ( 0.000 -2.342 0.000) 2.342 31.833 ( 0.000 -1.855 0.000) 1.855 31.839 ( 0.000 -1.358 0.000) 1.358 31.870 ( 0.000 -1.677 0.000) 1.677 41.998 ( 0.000 9.937 0.000) 9.937 42.423 ( 0.000 4.793 0.000) 4.793 42.778 ( 0.000 -6.366 0.000) 6.366 42.959 ( 0.000 -6.086 0.000) 6.086 43.484 ( 0.000 5.106 0.000) 5.106 44.106 ( 0.000 26.343 0.000) 26.343 45.718 ( 0.000 -23.313 0.000) 23.313 46.124 ( 0.000 -3.455 0.000) 3.455 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 17.420 20.437 0.000) 26.854 1.425 ( 11.280 28.738 0.000) 30.873 2.481 ( 8.672 47.241 0.000) 48.030 2.936 ( -6.178 4.708 0.000) 7.768 2.971 ( -4.507 5.978 0.000) 7.487 3.218 ( 4.225 2.838 0.000) 5.090 3.473 ( -10.011 4.601 0.000) 11.018 3.537 ( -3.393 13.023 0.000) 13.458 3.730 ( -2.722 -0.325 0.000) 2.742 3.873 ( 5.799 -0.810 0.000) 5.856 4.367 ( 4.658 3.844 0.000) 6.039 4.450 ( 0.660 2.401 0.000) 2.490 4.486 ( 9.382 4.435 0.000) 10.378 4.623 ( 2.239 -3.058 0.000) 3.789 4.756 ( -4.333 -12.034 0.000) 12.790 4.990 ( 1.028 -2.109 0.000) 2.346 5.004 ( 2.954 -1.912 0.000) 3.519 5.126 ( 0.027 2.072 0.000) 2.072 5.234 ( 10.394 -3.276 0.000) 10.898 5.409 ( 2.096 -0.654 0.000) 2.196 5.461 ( -1.045 -2.674 0.000) 2.871 5.547 ( 6.566 0.474 0.000) 6.583 5.587 ( 3.262 20.150 0.000) 20.412 5.696 ( 6.910 7.476 0.000) 10.181 5.867 ( 1.278 19.375 0.000) 19.417 6.075 ( 1.205 12.361 0.000) 12.420 6.358 ( -2.083 4.576 0.000) 5.028 6.480 ( 1.784 0.103 0.000) 1.787 6.779 ( -5.206 -3.201 0.000) 6.111 6.903 ( -1.040 -2.626 0.000) 2.825 7.152 ( -6.275 -4.217 0.000) 7.560 7.384 ( -1.552 5.144 0.000) 5.373 7.525 ( -6.854 -3.756 0.000) 7.816 7.729 ( 0.060 -4.487 0.000) 4.487 7.809 ( -0.303 0.304 0.000) 0.429 8.415 ( -11.660 -5.853 0.000) 13.047 20.081 ( 0.373 3.507 0.000) 3.527 20.104 ( 0.085 4.773 0.000) 4.774 20.109 ( 0.216 0.188 0.000) 0.287 20.195 ( -0.457 0.778 0.000) 0.902 20.206 ( -1.539 3.240 0.000) 3.587 20.262 ( -0.502 -0.698 0.000) 0.860 20.405 ( 0.314 -3.829 0.000) 3.842 20.417 ( 0.226 -1.690 0.000) 1.705 24.464 ( 5.010 -0.259 0.000) 5.017 24.496 ( 8.534 -2.905 0.000) 9.015 25.449 ( -2.740 -0.096 0.000) 2.741 25.473 ( -2.632 -0.377 0.000) 2.659 31.776 ( 0.201 -2.335 0.000) 2.344 31.832 ( -0.597 -1.450 0.000) 1.568 31.834 ( 0.138 -1.827 0.000) 1.832 31.861 ( -0.647 -1.593 0.000) 1.720 42.063 ( 6.152 10.650 0.000) 12.299 42.482 ( 5.575 5.525 0.000) 7.849 42.791 ( 1.487 -5.631 0.000) 5.824 43.057 ( 8.950 -6.752 0.000) 11.211 43.454 ( -2.826 4.632 0.000) 5.427 44.032 ( -6.919 25.227 0.000) 26.158 45.532 ( -46.848 19.576 0.000) 50.774 45.598 ( -11.241 -22.397 0.000) 25.060 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 20.122 14.706 0.000) 24.923 1.731 ( 16.837 21.832 0.000) 27.570 2.715 ( 4.261 12.679 0.000) 13.376 2.848 ( 7.121 30.494 0.000) 31.315 2.881 ( -3.710 7.641 0.000) 8.494 3.202 ( -14.861 5.522 0.000) 15.854 3.311 ( 4.355 8.103 0.000) 9.199 3.387 ( -10.222 4.689 0.000) 11.246 3.689 ( -1.754 11.337 0.000) 11.472 4.046 ( 10.490 -6.501 0.000) 12.341 4.435 ( -3.900 -0.955 0.000) 4.015 4.454 ( 2.998 8.452 0.000) 8.968 4.627 ( -6.458 -2.034 0.000) 6.771 4.716 ( 11.907 1.537 0.000) 12.006 4.833 ( 14.941 -7.438 0.000) 16.690 5.034 ( 3.151 -1.643 0.000) 3.554 5.068 ( 2.686 0.062 0.000) 2.687 5.137 ( 1.188 1.164 0.000) 1.663 5.246 ( -5.550 -3.345 0.000) 6.480 5.467 ( 3.244 0.877 0.000) 3.360 5.482 ( 3.470 -3.427 0.000) 4.877 5.673 ( 4.546 17.416 0.000) 18.000 5.683 ( 5.487 9.567 0.000) 11.029 5.912 ( 2.951 17.346 0.000) 17.595 5.924 ( 10.308 -0.182 0.000) 10.309 6.145 ( 6.287 13.475 0.000) 14.870 6.299 ( -3.306 3.685 0.000) 4.951 6.492 ( -4.643 -0.614 0.000) 4.683 6.648 ( -3.031 -1.354 0.000) 3.320 6.856 ( -4.521 1.778 0.000) 4.858 6.974 ( -10.081 -4.183 0.000) 10.914 7.353 ( -0.591 1.597 0.000) 1.703 7.353 ( -9.186 -2.338 0.000) 9.479 7.697 ( -3.173 -4.737 0.000) 5.702 7.805 ( 0.027 -3.854 0.000) 3.854 8.150 ( -11.956 -5.654 0.000) 13.225 20.091 ( 0.478 3.949 0.000) 3.978 20.109 ( 0.448 3.588 0.000) 3.616 20.117 ( 0.502 0.022 0.000) 0.502 20.170 ( -1.314 3.369 0.000) 3.616 20.188 ( -0.538 1.177 0.000) 1.294 20.246 ( -0.986 -0.555 0.000) 1.131 20.413 ( 0.461 -3.331 0.000) 3.363 20.423 ( 0.308 -1.670 0.000) 1.698 24.611 ( 8.738 -0.225 0.000) 8.741 24.699 ( 10.109 -4.747 0.000) 11.168 25.365 ( -5.261 -0.204 0.000) 5.265 25.390 ( -5.283 -0.511 0.000) 5.308 31.782 ( 0.348 -2.345 0.000) 2.370 31.818 ( -0.680 -1.916 0.000) 2.033 31.838 ( 0.158 -1.740 0.000) 1.747 31.850 ( -0.398 -1.496 0.000) 1.548 42.255 ( 11.982 12.797 0.000) 17.531 42.654 ( 10.620 7.762 0.000) 13.154 42.845 ( 3.598 -3.942 0.000) 5.337 43.317 ( 14.978 -7.592 0.000) 16.792 43.370 ( -5.005 3.283 0.000) 5.986 43.829 ( -11.668 21.687 0.000) 24.626 44.535 ( -43.348 34.943 0.000) 55.678 45.264 ( -19.896 -19.946 0.000) 28.173 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 19.511 10.704 0.000) 22.255 2.093 ( 16.651 15.482 0.000) 22.736 2.606 ( -7.579 6.493 0.000) 9.980 2.837 ( 0.154 6.817 0.000) 6.819 2.857 ( -17.607 7.388 0.000) 19.094 3.136 ( -10.975 4.259 0.000) 11.772 3.264 ( 22.212 25.981 0.000) 34.181 3.414 ( 5.362 13.804 0.000) 14.809 3.634 ( -3.590 17.002 0.000) 17.377 4.199 ( -17.401 3.000 0.000) 17.657 4.293 ( 12.075 -10.681 0.000) 16.121 4.490 ( 0.505 5.469 0.000) 5.492 4.576 ( 1.253 4.369 0.000) 4.545 4.922 ( -3.291 -8.206 0.000) 8.841 4.978 ( 4.497 -1.187 0.000) 4.651 5.103 ( 2.735 -0.452 0.000) 2.772 5.111 ( 1.394 1.896 0.000) 2.354 5.160 ( 0.289 -0.258 0.000) 0.387 5.323 ( 16.620 -1.177 0.000) 16.661 5.534 ( 2.750 0.192 0.000) 2.757 5.562 ( 3.633 -2.991 0.000) 4.706 5.757 ( 2.751 15.680 0.000) 15.920 5.796 ( 5.157 11.519 0.000) 12.621 5.983 ( 3.447 14.401 0.000) 14.808 6.084 ( 5.626 9.138 0.000) 10.731 6.223 ( -0.451 1.040 0.000) 1.134 6.240 ( -15.659 -0.516 0.000) 15.668 6.329 ( 8.087 10.994 0.000) 13.648 6.642 ( -8.247 -4.254 0.000) 9.280 6.694 ( -7.295 7.265 0.000) 10.296 6.814 ( -0.211 0.883 0.000) 0.908 7.150 ( -9.945 -0.987 0.000) 9.994 7.383 ( 3.387 -2.681 0.000) 4.320 7.602 ( -5.536 -4.606 0.000) 7.201 7.813 ( 0.889 -8.590 0.000) 8.636 7.949 ( -6.927 -9.800 0.000) 12.001 20.101 ( 0.475 3.876 0.000) 3.905 20.123 ( -0.220 1.379 0.000) 1.397 20.123 ( 0.841 2.655 0.000) 2.785 20.153 ( -0.389 2.387 0.000) 2.419 20.180 ( -0.025 1.030 0.000) 1.030 20.222 ( -1.306 -0.355 0.000) 1.353 20.423 ( 0.389 -2.706 0.000) 2.734 20.428 ( 0.162 -1.798 0.000) 1.806 24.816 ( 10.434 -0.189 0.000) 10.435 24.906 ( 9.440 -3.777 0.000) 10.168 25.226 ( -7.977 -0.220 0.000) 7.980 25.257 ( -7.139 -1.098 0.000) 7.223 31.790 ( 0.389 -2.407 0.000) 2.438 31.806 ( -0.434 -2.355 0.000) 2.395 31.840 ( 0.091 -1.615 0.000) 1.618 31.844 ( -0.178 -1.455 0.000) 1.466 42.561 ( 16.918 16.153 0.000) 23.391 42.921 ( 14.631 11.799 0.000) 18.796 42.934 ( 4.431 -0.885 0.000) 4.518 43.254 ( -5.672 1.260 0.000) 5.811 43.433 ( -13.469 15.135 0.000) 20.260 43.752 ( -14.686 16.473 0.000) 22.069 43.812 ( 3.103 6.090 0.000) 6.835 44.791 ( -24.484 -16.620 0.000) 29.592 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -4.184 6.855 0.000) 8.031 2.374 ( 4.184 6.855 0.000) 8.031 2.493 ( -11.488 12.796 0.000) 17.197 2.493 ( 11.488 12.796 0.000) 17.197 2.916 ( -7.752 4.654 0.000) 9.042 2.916 ( 7.752 4.654 0.000) 9.042 3.528 ( -4.937 17.271 0.000) 17.963 3.528 ( 4.937 17.271 0.000) 17.963 3.768 ( -22.579 14.400 0.000) 26.780 3.768 ( 22.579 14.400 0.000) 26.780 4.469 ( -3.360 -2.246 0.000) 4.042 4.469 ( 3.360 -2.246 0.000) 4.042 4.699 ( -10.830 -4.397 0.000) 11.688 4.699 ( 10.830 -4.397 0.000) 11.688 5.111 ( -3.134 1.655 0.000) 3.544 5.111 ( 3.134 1.655 0.000) 3.544 5.138 ( -1.270 -0.622 0.000) 1.414 5.138 ( 1.270 -0.622 0.000) 1.414 5.562 ( -1.127 -1.064 0.000) 1.550 5.562 ( 1.127 -1.064 0.000) 1.550 5.713 ( -10.263 5.343 0.000) 11.571 5.713 ( 10.263 5.343 0.000) 11.571 5.914 ( -8.496 7.758 0.000) 11.505 5.914 ( 8.496 7.758 0.000) 11.505 6.082 ( -2.906 12.632 0.000) 12.962 6.082 ( 2.906 12.632 0.000) 12.962 6.378 ( -12.612 -3.221 0.000) 13.017 6.378 ( 12.612 -3.221 0.000) 13.017 6.510 ( -9.316 11.114 0.000) 14.502 6.510 ( 9.316 11.114 0.000) 14.502 6.947 ( -9.047 0.181 0.000) 9.049 6.947 ( 9.047 0.181 0.000) 9.049 7.481 ( -5.582 -4.463 0.000) 7.147 7.481 ( 5.582 -4.463 0.000) 7.147 7.850 ( -2.882 -11.279 0.000) 11.642 7.850 ( 2.882 -11.279 0.000) 11.642 20.112 ( -0.608 3.096 0.000) 3.155 20.112 ( 0.608 3.096 0.000) 3.155 20.141 ( -0.796 2.215 0.000) 2.354 20.141 ( 0.796 2.215 0.000) 2.354 20.194 ( -1.190 0.059 0.000) 1.191 20.194 ( 1.190 0.059 0.000) 1.191 20.428 ( -0.132 -2.153 0.000) 2.157 20.428 ( 0.132 -2.153 0.000) 2.157 25.035 ( -10.045 -0.176 0.000) 10.047 25.035 ( 10.045 -0.176 0.000) 10.047 25.094 ( -8.403 -2.261 0.000) 8.702 25.094 ( 8.403 -2.261 0.000) 8.702 31.798 ( -0.366 -2.468 0.000) 2.495 31.798 ( 0.366 -2.468 0.000) 2.495 31.842 ( -0.069 -1.502 0.000) 1.504 31.842 ( 0.069 -1.502 0.000) 1.504 42.920 ( -12.838 14.740 0.000) 19.547 42.920 ( 12.838 14.740 0.000) 19.547 43.157 ( -3.040 7.159 0.000) 7.777 43.157 ( 3.040 7.159 0.000) 7.777 43.285 ( -17.757 15.016 0.000) 23.255 43.285 ( 17.757 15.016 0.000) 23.255 44.266 ( -24.684 -12.904 0.000) 27.854 44.266 ( 24.684 -12.904 0.000) 27.854 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.000 24.378 0.000) 24.378 1.915 ( 0.000 30.293 0.000) 30.293 2.887 ( 0.000 -3.461 0.000) 3.461 3.174 ( 0.000 1.058 0.000) 1.058 3.176 ( 0.000 9.494 0.000) 9.494 3.408 ( 0.000 36.463 0.000) 36.463 3.625 ( 0.000 -0.346 0.000) 0.346 3.726 ( 0.000 1.201 0.000) 1.201 3.776 ( 0.000 -5.937 0.000) 5.937 3.777 ( 0.000 5.639 0.000) 5.639 4.295 ( 0.000 -0.859 0.000) 0.859 4.413 ( 0.000 1.486 0.000) 1.486 4.435 ( 0.000 -13.021 0.000) 13.021 4.561 ( 0.000 0.603 0.000) 0.603 4.781 ( 0.000 6.611 0.000) 6.611 4.928 ( 0.000 -1.407 0.000) 1.407 4.945 ( 0.000 -0.072 0.000) 0.072 5.006 ( 0.000 2.687 0.000) 2.687 5.112 ( 0.000 -2.741 0.000) 2.741 5.321 ( 0.000 -4.517 0.000) 4.517 5.424 ( 0.000 -1.511 0.000) 1.511 5.471 ( 0.000 -4.308 0.000) 4.308 5.858 ( 0.000 11.090 0.000) 11.090 6.013 ( 0.000 22.781 0.000) 22.781 6.233 ( 0.000 4.696 0.000) 4.696 6.239 ( 0.000 17.202 0.000) 17.202 6.466 ( 0.000 0.687 0.000) 0.687 6.569 ( 0.000 14.720 0.000) 14.720 6.704 ( 0.000 -5.995 0.000) 5.995 6.911 ( 0.000 1.169 0.000) 1.169 7.132 ( 0.000 -4.098 0.000) 4.098 7.498 ( 0.000 -6.474 0.000) 6.474 7.548 ( 0.000 7.914 0.000) 7.914 7.656 ( 0.000 -1.914 0.000) 1.914 7.843 ( 0.000 0.952 0.000) 0.952 8.342 ( 0.000 -12.701 0.000) 12.701 20.117 ( 0.000 0.536 0.000) 0.536 20.152 ( 0.000 4.042 0.000) 4.042 20.192 ( 0.000 -1.337 0.000) 1.337 20.194 ( 0.000 3.593 0.000) 3.593 20.255 ( 0.000 -0.395 0.000) 0.395 20.280 ( 0.000 2.485 0.000) 2.485 20.347 ( 0.000 -1.229 0.000) 1.229 20.380 ( 0.000 -1.622 0.000) 1.622 24.392 ( 0.000 -0.043 0.000) 0.043 24.404 ( 0.000 -0.308 0.000) 0.308 25.478 ( 0.000 -0.015 0.000) 0.015 25.493 ( 0.000 -0.383 0.000) 0.383 31.733 ( 0.000 -1.640 0.000) 1.640 31.793 ( 0.000 -2.131 0.000) 2.131 31.812 ( 0.000 -1.269 0.000) 1.269 31.836 ( 0.000 -1.757 0.000) 1.757 42.202 ( 0.000 10.224 0.000) 10.224 42.504 ( 0.000 3.075 0.000) 3.075 42.675 ( 0.000 -4.038 0.000) 4.038 42.831 ( 0.000 -6.641 0.000) 6.641 43.632 ( 0.000 10.151 0.000) 10.151 44.637 ( 0.000 27.067 0.000) 27.067 45.217 ( 0.000 -26.835 0.000) 26.835 46.024 ( 0.000 -6.996 0.000) 6.996 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 11.947 21.465 0.000) 24.566 1.991 ( 6.949 28.493 0.000) 29.328 2.855 ( -2.727 -1.976 0.000) 3.368 3.133 ( -3.046 10.134 0.000) 10.582 3.252 ( 6.303 1.044 0.000) 6.388 3.439 ( 2.981 34.417 0.000) 34.546 3.516 ( -9.207 -0.078 0.000) 9.207 3.644 ( -6.642 4.915 0.000) 8.263 3.797 ( 1.856 3.324 0.000) 3.808 3.807 ( 2.401 -6.716 0.000) 7.132 4.388 ( 8.196 -0.462 0.000) 8.209 4.421 ( -1.305 -11.080 0.000) 11.156 4.505 ( 8.121 -0.043 0.000) 8.122 4.586 ( 2.098 1.301 0.000) 2.469 4.734 ( 0.922 10.099 0.000) 10.141 4.969 ( 1.140 0.337 0.000) 1.189 4.983 ( 3.270 -0.223 0.000) 3.278 5.123 ( 0.883 -1.936 0.000) 2.128 5.184 ( 10.737 -2.190 0.000) 10.958 5.344 ( 2.155 -5.029 0.000) 5.471 5.389 ( -5.222 -4.167 0.000) 6.681 5.515 ( 8.087 -3.466 0.000) 8.799 5.885 ( 2.384 10.274 0.000) 10.547 6.027 ( 1.317 21.776 0.000) 21.816 6.240 ( 0.930 4.041 0.000) 4.147 6.244 ( 0.465 16.919 0.000) 16.925 6.487 ( 1.767 0.744 0.000) 1.918 6.555 ( -1.201 15.340 0.000) 15.387 6.693 ( -1.848 -4.788 0.000) 5.132 6.877 ( -2.280 0.623 0.000) 2.364 7.072 ( -5.554 -3.717 0.000) 6.683 7.440 ( -5.087 -5.026 0.000) 7.151 7.513 ( -3.243 7.346 0.000) 8.030 7.648 ( -1.052 -3.041 0.000) 3.217 7.814 ( -2.635 0.048 0.000) 2.636 8.247 ( -8.585 -10.861 0.000) 13.844 20.117 ( 0.062 0.487 0.000) 0.491 20.156 ( 0.423 3.994 0.000) 4.016 20.187 ( -0.553 3.234 0.000) 3.281 20.193 ( 0.044 -1.066 0.000) 1.067 20.252 ( -0.306 -0.188 0.000) 0.359 20.268 ( -1.041 2.870 0.000) 3.053 20.352 ( 0.426 -1.304 0.000) 1.372 20.384 ( 0.309 -1.549 0.000) 1.579 24.458 ( 5.064 -0.302 0.000) 5.073 24.462 ( 6.292 -0.907 0.000) 6.357 25.448 ( -2.796 -0.028 0.000) 2.797 25.465 ( -2.677 -0.407 0.000) 2.708 31.736 ( 0.225 -1.619 0.000) 1.634 31.795 ( 0.196 -2.100 0.000) 2.109 31.806 ( -0.653 -1.224 0.000) 1.387 31.829 ( -0.523 -1.654 0.000) 1.735 42.280 ( 7.395 10.799 0.000) 13.088 42.577 ( 6.890 3.700 0.000) 7.821 42.702 ( 2.644 -3.371 0.000) 4.284 42.915 ( 7.763 -7.402 0.000) 10.726 43.591 ( -3.758 9.626 0.000) 10.334 44.541 ( -9.003 25.904 0.000) 27.424 45.116 ( -9.453 -25.818 0.000) 27.494 45.709 ( -27.682 1.288 0.000) 27.712 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 15.016 15.987 0.000) 21.933 2.188 ( 11.241 24.081 0.000) 26.575 2.789 ( -3.254 0.572 0.000) 3.304 3.049 ( -4.593 8.519 0.000) 9.679 3.269 ( -13.274 1.651 0.000) 13.376 3.438 ( 10.474 5.052 0.000) 11.628 3.443 ( -7.999 3.806 0.000) 8.858 3.580 ( 6.522 34.437 0.000) 35.049 3.846 ( 2.241 2.846 0.000) 3.622 3.881 ( 5.033 -10.125 0.000) 11.307 4.375 ( -3.434 -6.309 0.000) 7.183 4.584 ( 7.832 2.541 0.000) 8.234 4.636 ( 2.508 4.030 0.000) 4.747 4.695 ( 8.319 -1.167 0.000) 8.400 4.853 ( 9.304 9.128 0.000) 13.034 5.010 ( 3.153 -0.492 0.000) 3.192 5.061 ( 3.690 -0.291 0.000) 3.702 5.143 ( 0.910 -0.605 0.000) 1.093 5.191 ( -5.464 -2.535 0.000) 6.024 5.390 ( 4.505 -5.921 0.000) 7.440 5.404 ( 3.226 -5.852 0.000) 6.682 5.767 ( 12.679 -4.363 0.000) 13.409 5.957 ( 4.624 7.474 0.000) 8.789 6.061 ( 1.598 18.839 0.000) 18.906 6.258 ( 0.722 15.594 0.000) 15.611 6.289 ( 4.011 2.373 0.000) 4.660 6.494 ( -5.005 0.869 0.000) 5.080 6.527 ( -1.040 17.038 0.000) 17.070 6.614 ( -2.440 -2.236 0.000) 3.310 6.856 ( -0.320 -0.742 0.000) 0.808 6.917 ( -7.884 -1.081 0.000) 7.958 7.302 ( -7.620 -2.950 0.000) 8.171 7.425 ( -4.529 5.334 0.000) 6.998 7.603 ( -3.309 -4.107 0.000) 5.274 7.741 ( -4.000 -2.603 0.000) 4.772 8.018 ( -12.128 -7.841 0.000) 14.442 20.121 ( 0.414 0.390 0.000) 0.569 20.168 ( 0.623 3.816 0.000) 3.866 20.174 ( -0.581 2.560 0.000) 2.625 20.193 ( -0.049 -0.419 0.000) 0.422 20.241 ( -0.743 0.169 0.000) 0.762 20.244 ( -1.123 3.431 0.000) 3.610 20.364 ( 0.710 -1.445 0.000) 1.610 20.391 ( 0.334 -1.435 0.000) 1.473 24.606 ( 8.778 -0.243 0.000) 8.782 24.635 ( 9.636 -2.067 0.000) 9.855 25.362 ( -5.393 -0.124 0.000) 5.394 25.380 ( -5.469 -0.480 0.000) 5.490 31.742 ( 0.359 -1.573 0.000) 1.613 31.787 ( -0.959 -1.189 0.000) 1.528 31.800 ( 0.269 -2.007 0.000) 2.025 31.819 ( -0.351 -1.581 0.000) 1.620 42.509 ( 14.361 12.446 0.000) 19.004 42.788 ( 5.511 -1.743 0.000) 5.780 42.790 ( 13.252 5.507 0.000) 14.350 43.146 ( 13.871 -9.225 0.000) 16.659 43.480 ( -6.670 8.212 0.000) 10.579 44.274 ( -15.960 22.711 0.000) 27.757 44.835 ( -16.824 -23.038 0.000) 28.527 44.997 ( -37.025 13.464 0.000) 39.397 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 14.738 10.202 0.000) 17.925 2.427 ( 10.228 17.758 0.000) 20.493 2.729 ( -2.174 4.534 0.000) 5.028 2.957 ( -9.490 3.532 0.000) 10.126 2.984 ( -6.719 7.482 0.000) 10.056 3.234 ( -10.698 6.720 0.000) 12.634 3.665 ( 9.816 11.711 0.000) 15.281 3.786 ( 11.097 24.892 0.000) 27.253 3.874 ( 0.632 6.058 0.000) 6.091 4.035 ( 10.059 -14.445 0.000) 17.602 4.263 ( -7.410 1.627 0.000) 7.587 4.585 ( -8.392 1.896 0.000) 8.604 4.688 ( 2.454 7.015 0.000) 7.432 4.792 ( -1.644 -0.447 0.000) 1.704 4.978 ( 6.434 0.464 0.000) 6.451 5.096 ( 4.088 -0.429 0.000) 4.110 5.122 ( 1.661 -0.370 0.000) 1.702 5.155 ( 0.113 0.002 0.000) 0.113 5.328 ( 16.113 1.470 0.000) 16.180 5.466 ( 2.385 -6.155 0.000) 6.601 5.482 ( 4.795 -5.049 0.000) 6.963 5.980 ( 8.081 1.602 0.000) 8.238 6.054 ( -5.074 11.045 0.000) 12.154 6.083 ( 7.400 1.041 0.000) 7.473 6.236 ( -6.340 8.167 0.000) 10.339 6.312 ( -3.926 9.765 0.000) 10.525 6.365 ( 1.175 6.383 0.000) 6.490 6.545 ( -8.402 -4.982 0.000) 9.768 6.563 ( 5.771 13.897 0.000) 15.048 6.804 ( -0.448 3.424 0.000) 3.453 6.860 ( -0.066 4.239 0.000) 4.240 7.132 ( -8.400 -0.955 0.000) 8.454 7.361 ( -0.655 0.889 0.000) 1.104 7.513 ( -5.089 -3.995 0.000) 6.470 7.665 ( -2.681 -6.041 0.000) 6.610 7.782 ( -9.325 -7.067 0.000) 11.700 20.134 ( 0.701 0.408 0.000) 0.811 20.160 ( -0.577 1.780 0.000) 1.871 20.185 ( 0.819 3.472 0.000) 3.567 20.193 ( 0.127 0.226 0.000) 0.259 20.222 ( -0.966 0.647 0.000) 1.163 20.223 ( -0.886 3.722 0.000) 3.826 20.380 ( 0.704 -1.510 0.000) 1.666 20.396 ( 0.030 -1.415 0.000) 1.416 24.812 ( 10.458 -0.206 0.000) 10.460 24.848 ( 10.268 -2.130 0.000) 10.487 25.222 ( -7.943 -0.243 0.000) 7.947 25.239 ( -7.841 -0.771 0.000) 7.879 31.750 ( 0.389 -1.521 0.000) 1.570 31.770 ( -0.664 -1.304 0.000) 1.463 31.805 ( 0.223 -1.870 0.000) 1.884 31.813 ( -0.215 -1.620 0.000) 1.634 42.872 ( 19.483 14.712 0.000) 24.413 42.928 ( 7.586 0.592 0.000) 7.609 43.124 ( 17.562 7.190 0.000) 18.976 43.329 ( -6.246 7.464 0.000) 9.732 43.466 ( 14.187 -9.417 0.000) 17.028 43.908 ( -16.389 16.229 0.000) 23.065 44.244 ( -33.284 17.616 0.000) 37.658 44.434 ( -20.697 -19.043 0.000) 28.125 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -6.391 7.077 0.000) 9.536 2.511 ( 6.391 7.077 0.000) 9.536 2.725 ( -4.547 9.600 0.000) 10.622 2.725 ( 4.547 9.600 0.000) 10.622 3.031 ( -7.309 7.803 0.000) 10.691 3.031 ( 7.309 7.803 0.000) 10.691 3.815 ( -4.402 10.585 0.000) 11.464 3.815 ( 4.402 10.585 0.000) 11.464 4.052 ( -11.274 13.243 0.000) 17.392 4.052 ( 11.274 13.243 0.000) 17.392 4.314 ( -14.561 -10.690 0.000) 18.063 4.314 ( 14.561 -10.690 0.000) 18.063 4.740 ( -2.497 7.098 0.000) 7.524 4.740 ( 2.497 7.098 0.000) 7.524 5.102 ( -3.799 -1.082 0.000) 3.950 5.102 ( 3.799 -1.082 0.000) 3.950 5.150 ( -0.988 0.689 0.000) 1.204 5.150 ( 0.988 0.689 0.000) 1.204 5.489 ( -0.675 -5.899 0.000) 5.937 5.489 ( 0.675 -5.899 0.000) 5.937 5.766 ( -18.628 1.968 0.000) 18.732 5.766 ( 18.628 1.968 0.000) 18.732 6.121 ( -5.154 8.491 0.000) 9.933 6.121 ( 5.154 8.491 0.000) 9.933 6.258 ( -7.071 -0.837 0.000) 7.120 6.258 ( 7.071 -0.837 0.000) 7.120 6.372 ( -2.803 8.910 0.000) 9.340 6.372 ( 2.803 8.910 0.000) 9.340 6.716 ( -7.053 9.244 0.000) 11.628 6.716 ( 7.053 9.244 0.000) 11.628 6.960 ( -7.543 1.270 0.000) 7.649 6.960 ( 7.543 1.270 0.000) 7.649 7.406 ( -4.404 -2.667 0.000) 5.149 7.406 ( 4.404 -2.667 0.000) 5.149 7.656 ( -2.488 -7.756 0.000) 8.145 7.656 ( 2.488 -7.756 0.000) 8.145 20.148 ( -0.613 0.914 0.000) 1.100 20.148 ( 0.613 0.914 0.000) 1.100 20.199 ( -0.079 0.830 0.000) 0.833 20.199 ( 0.079 0.830 0.000) 0.833 20.208 ( -0.206 3.422 0.000) 3.429 20.208 ( 0.206 3.422 0.000) 3.429 20.392 ( -0.401 -1.474 0.000) 1.527 20.392 ( 0.401 -1.474 0.000) 1.527 25.031 ( -10.025 -0.210 0.000) 10.027 25.031 ( 10.025 -0.210 0.000) 10.027 25.056 ( -9.415 -1.475 0.000) 9.530 25.056 ( 9.415 -1.475 0.000) 9.530 31.759 ( -0.435 -1.442 0.000) 1.506 31.759 ( 0.435 -1.442 0.000) 1.506 31.810 ( -0.173 -1.727 0.000) 1.736 31.810 ( 0.173 -1.727 0.000) 1.736 43.089 ( -6.223 4.570 0.000) 7.721 43.089 ( 6.223 4.570 0.000) 7.721 43.359 ( -18.655 12.127 0.000) 22.250 43.359 ( 18.655 12.127 0.000) 22.250 43.606 ( -24.741 14.541 0.000) 28.698 43.606 ( 24.741 14.541 0.000) 28.698 44.003 ( -18.555 -12.721 0.000) 22.497 44.003 ( 18.555 -12.721 0.000) 22.497 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.000 22.538 0.000) 22.538 2.479 ( 0.000 27.062 0.000) 27.062 2.703 ( 0.000 -13.791 0.000) 13.791 3.177 ( 0.000 -2.640 0.000) 2.640 3.390 ( 0.000 10.774 0.000) 10.774 3.586 ( 0.000 -11.142 0.000) 11.142 3.604 ( 0.000 0.099 0.000) 0.099 3.691 ( 0.000 2.924 0.000) 2.924 3.807 ( 0.000 -1.492 0.000) 1.492 4.056 ( 0.000 18.073 0.000) 18.073 4.103 ( 0.000 -17.562 0.000) 17.562 4.274 ( 0.000 -1.393 0.000) 1.393 4.515 ( 0.000 10.903 0.000) 10.903 4.672 ( 0.000 7.546 0.000) 7.546 4.878 ( 0.000 -4.037 0.000) 4.037 4.889 ( 0.000 5.512 0.000) 5.512 4.937 ( 0.000 -2.560 0.000) 2.560 5.059 ( 0.000 -0.624 0.000) 0.624 5.133 ( 0.000 8.975 0.000) 8.975 5.218 ( 0.000 -5.693 0.000) 5.693 5.318 ( 0.000 -11.008 0.000) 11.008 5.388 ( 0.000 -2.876 0.000) 2.876 6.059 ( 0.000 9.174 0.000) 9.174 6.269 ( 0.000 -0.693 0.000) 0.693 6.358 ( 0.000 10.043 0.000) 10.043 6.449 ( 0.000 3.236 0.000) 3.236 6.511 ( 0.000 5.228 0.000) 5.228 6.640 ( 0.000 -0.125 0.000) 0.125 6.897 ( 0.000 16.957 0.000) 16.957 6.961 ( 0.000 3.666 0.000) 3.666 7.068 ( 0.000 -2.389 0.000) 2.389 7.361 ( 0.000 -7.614 0.000) 7.614 7.662 ( 0.000 3.165 0.000) 3.165 7.693 ( 0.000 6.511 0.000) 6.511 7.843 ( 0.000 -1.093 0.000) 1.093 8.069 ( 0.000 -14.669 0.000) 14.669 20.127 ( 0.000 0.488 0.000) 0.488 20.160 ( 0.000 -1.533 0.000) 1.533 20.220 ( 0.000 2.161 0.000) 2.161 20.236 ( 0.000 0.852 0.000) 0.852 20.262 ( 0.000 1.737 0.000) 1.737 20.321 ( 0.000 1.565 0.000) 1.565 20.342 ( 0.000 0.157 0.000) 0.157 20.351 ( 0.000 -1.502 0.000) 1.502 24.392 ( 0.000 0.049 0.000) 0.049 24.398 ( 0.000 -0.266 0.000) 0.266 25.478 ( 0.000 0.083 0.000) 0.083 25.486 ( 0.000 -0.320 0.000) 0.320 31.714 ( 0.000 -0.249 0.000) 0.249 31.753 ( 0.000 -1.876 0.000) 1.876 31.793 ( 0.000 -0.626 0.000) 0.626 31.806 ( 0.000 -1.240 0.000) 1.240 42.381 ( 0.000 7.697 0.000) 7.697 42.534 ( 0.000 -0.155 0.000) 0.155 42.624 ( 0.000 -1.049 0.000) 1.049 42.712 ( 0.000 -5.195 0.000) 5.195 43.885 ( 0.000 15.680 0.000) 15.680 44.700 ( 0.000 -25.274 0.000) 25.274 45.139 ( 0.000 23.576 0.000) 23.576 45.840 ( 0.000 -12.000 0.000) 12.000 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 7.929 20.428 0.000) 21.913 2.529 ( 4.542 26.152 0.000) 26.543 2.715 ( 0.866 -11.524 0.000) 11.556 3.250 ( 6.725 -3.238 0.000) 7.464 3.320 ( -5.851 6.177 0.000) 8.508 3.483 ( -7.797 -3.393 0.000) 8.503 3.640 ( -4.263 3.434 0.000) 5.474 3.661 ( 3.493 -2.608 0.000) 4.360 3.796 ( -0.409 -2.704 0.000) 2.735 4.089 ( 2.937 20.636 0.000) 20.844 4.133 ( 2.489 -15.907 0.000) 16.101 4.365 ( 8.024 -1.830 0.000) 8.230 4.583 ( 6.071 9.597 0.000) 11.356 4.701 ( 2.604 7.938 0.000) 8.355 4.879 ( 3.869 3.936 0.000) 5.520 4.973 ( 3.164 -2.436 0.000) 3.993 4.996 ( 4.990 0.095 0.000) 4.991 5.079 ( 1.731 -0.742 0.000) 1.883 5.175 ( 3.508 2.981 0.000) 4.603 5.231 ( 1.260 -6.025 0.000) 6.155 5.275 ( -5.225 -7.987 0.000) 9.545 5.428 ( 5.698 -4.730 0.000) 7.406 6.075 ( 1.503 8.757 0.000) 8.885 6.271 ( 0.466 -0.578 0.000) 0.742 6.355 ( -0.303 9.892 0.000) 9.897 6.452 ( 0.252 3.274 0.000) 3.284 6.531 ( 1.569 4.745 0.000) 4.998 6.636 ( -0.932 -0.533 0.000) 1.073 6.882 ( -1.335 16.334 0.000) 16.389 6.925 ( -2.888 3.671 0.000) 4.671 7.017 ( -4.538 -1.815 0.000) 4.887 7.324 ( -3.436 -6.963 0.000) 7.765 7.638 ( -2.256 2.594 0.000) 3.438 7.651 ( -3.881 6.354 0.000) 7.445 7.803 ( -3.717 -1.395 0.000) 3.971 8.006 ( -5.762 -13.149 0.000) 14.356 20.127 ( 0.081 0.562 0.000) 0.568 20.164 ( 0.353 -1.496 0.000) 1.537 20.219 ( -0.257 1.417 0.000) 1.440 20.227 ( -0.608 1.228 0.000) 1.370 20.265 ( 0.179 2.028 0.000) 2.036 20.315 ( -0.500 1.857 0.000) 1.923 20.344 ( 0.221 0.026 0.000) 0.222 20.356 ( 0.401 -1.471 0.000) 1.525 24.451 ( 5.459 -0.240 0.000) 5.465 24.453 ( 5.117 -0.236 0.000) 5.123 25.449 ( -2.807 0.102 0.000) 2.809 25.458 ( -2.721 -0.353 0.000) 2.744 31.717 ( 0.261 -0.233 0.000) 0.350 31.755 ( 0.248 -1.854 0.000) 1.871 31.787 ( -0.538 -0.573 0.000) 0.786 31.800 ( -0.430 -1.179 0.000) 1.255 42.467 ( 8.160 7.940 0.000) 11.386 42.617 ( 7.813 0.220 0.000) 7.816 42.664 ( 3.806 -0.363 0.000) 3.823 42.781 ( 6.405 -5.977 0.000) 8.761 43.834 ( -4.767 15.073 0.000) 15.809 44.618 ( -7.640 -24.326 0.000) 25.498 45.018 ( -11.236 22.220 0.000) 24.900 45.634 ( -18.741 -8.303 0.000) 20.498 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 9.858 15.693 0.000) 18.532 2.654 ( 6.632 22.981 0.000) 23.919 2.729 ( 0.477 -6.833 0.000) 6.850 3.167 ( -7.806 2.551 0.000) 8.212 3.282 ( -9.742 -0.031 0.000) 9.742 3.464 ( 12.354 -6.941 0.000) 14.170 3.536 ( -5.408 6.181 0.000) 8.213 3.746 ( 4.634 2.439 0.000) 5.237 3.809 ( 1.551 -5.365 0.000) 5.584 4.157 ( 3.042 22.816 0.000) 23.018 4.191 ( 2.734 -11.758 0.000) 12.072 4.561 ( 8.591 -3.075 0.000) 9.125 4.754 ( 9.409 6.448 0.000) 11.407 4.772 ( 3.848 8.831 0.000) 9.633 4.993 ( 3.481 2.802 0.000) 4.469 5.054 ( 4.022 -1.694 0.000) 4.364 5.086 ( -2.717 4.662 0.000) 5.396 5.120 ( 1.810 -0.722 0.000) 1.948 5.122 ( 3.457 -3.332 0.000) 4.801 5.268 ( 2.108 -7.232 0.000) 7.533 5.278 ( 4.423 -2.659 0.000) 5.161 5.611 ( 10.267 -9.775 0.000) 14.176 6.128 ( 3.684 8.310 0.000) 9.090 6.308 ( 3.512 -0.512 0.000) 3.549 6.335 ( -2.404 8.420 0.000) 8.756 6.448 ( -1.570 2.899 0.000) 3.296 6.537 ( -2.772 3.495 0.000) 4.461 6.576 ( -3.658 -0.667 0.000) 3.719 6.847 ( -1.708 14.631 0.000) 14.730 6.874 ( -1.911 2.590 0.000) 3.219 6.922 ( -2.257 1.054 0.000) 2.491 7.225 ( -5.674 -5.360 0.000) 7.806 7.540 ( -6.248 5.856 0.000) 8.563 7.570 ( -4.079 1.503 0.000) 4.348 7.697 ( -5.978 -2.243 0.000) 6.385 7.845 ( -8.893 -9.489 0.000) 13.005 20.132 ( 0.428 0.692 0.000) 0.814 20.173 ( 0.474 -1.301 0.000) 1.385 20.204 ( -0.964 0.866 0.000) 1.296 20.220 ( -0.281 0.684 0.000) 0.739 20.268 ( 0.161 2.941 0.000) 2.945 20.303 ( -0.613 2.457 0.000) 2.532 20.351 ( 0.402 -0.335 0.000) 0.523 20.365 ( 0.394 -1.434 0.000) 1.487 24.602 ( 8.831 -0.150 0.000) 8.832 24.609 ( 9.157 -0.736 0.000) 9.186 25.361 ( -5.506 0.074 0.000) 5.507 25.371 ( -5.537 -0.398 0.000) 5.552 31.725 ( 0.410 -0.194 0.000) 0.453 31.762 ( 0.369 -1.788 0.000) 1.826 31.772 ( -0.842 -0.354 0.000) 0.913 31.791 ( -0.404 -1.225 0.000) 1.290 42.719 ( 15.699 8.567 0.000) 17.884 42.783 ( 7.410 1.360 0.000) 7.534 42.857 ( 14.838 1.260 0.000) 14.891 42.973 ( 11.707 -7.969 0.000) 14.162 43.693 ( -8.288 13.432 0.000) 15.784 44.391 ( -13.583 -21.665 0.000) 25.571 44.687 ( -19.719 18.737 0.000) 27.202 45.111 ( -29.530 -0.975 0.000) 29.546 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 9.651 10.358 0.000) 14.157 2.748 ( 0.311 13.728 0.000) 13.731 2.748 ( 1.772 -2.687 0.000) 3.219 2.987 ( -9.450 -0.433 0.000) 9.460 3.150 ( -0.160 10.218 0.000) 10.220 3.409 ( -6.861 10.839 0.000) 12.828 3.730 ( 9.687 -16.419 0.000) 19.064 3.841 ( 0.974 -7.534 0.000) 7.597 3.886 ( 11.112 11.061 0.000) 15.679 4.211 ( 2.140 17.194 0.000) 17.327 4.238 ( 1.431 -4.556 0.000) 4.775 4.555 ( -11.377 -2.908 0.000) 11.742 4.853 ( 3.699 9.695 0.000) 10.377 4.909 ( 3.715 8.456 0.000) 9.237 5.000 ( 4.055 1.756 0.000) 4.419 5.091 ( 3.334 0.164 0.000) 3.338 5.123 ( 1.850 0.209 0.000) 1.862 5.144 ( 0.471 -1.052 0.000) 1.153 5.298 ( 4.742 -6.940 0.000) 8.405 5.313 ( 1.936 -8.894 0.000) 9.102 5.449 ( 14.878 4.618 0.000) 15.578 5.826 ( 10.485 -11.131 0.000) 15.292 6.176 ( -13.694 3.776 0.000) 14.205 6.231 ( 6.005 8.343 0.000) 10.280 6.322 ( -9.653 -1.525 0.000) 9.773 6.417 ( 5.931 -0.321 0.000) 5.940 6.465 ( -4.441 4.989 0.000) 6.679 6.518 ( -0.648 2.687 0.000) 2.764 6.825 ( 0.134 11.480 0.000) 11.481 6.869 ( 1.643 3.566 0.000) 3.926 6.928 ( 1.146 1.819 0.000) 2.149 7.098 ( -6.048 -3.021 0.000) 6.760 7.419 ( -4.212 4.589 0.000) 6.229 7.475 ( -4.598 0.989 0.000) 4.703 7.578 ( -4.408 -3.241 0.000) 5.471 7.661 ( -7.876 -5.739 0.000) 9.745 20.145 ( 0.782 0.758 0.000) 1.089 20.183 ( -0.961 0.865 0.000) 1.293 20.184 ( 0.566 -0.935 0.000) 1.093 20.211 ( -0.589 -0.233 0.000) 0.633 20.273 ( 0.309 3.544 0.000) 3.557 20.291 ( -0.520 3.012 0.000) 3.056 20.360 ( 0.451 -0.793 0.000) 0.912 20.370 ( 0.077 -1.369 0.000) 1.371 24.809 ( 10.473 -0.106 0.000) 10.473 24.819 ( 10.466 -0.877 0.000) 10.502 25.218 ( -8.028 -0.050 0.000) 8.028 25.227 ( -8.120 -0.454 0.000) 8.133 31.734 ( 0.444 -0.152 0.000) 0.470 31.755 ( -0.680 -0.173 0.000) 0.702 31.770 ( 0.352 -1.683 0.000) 1.720 31.783 ( -0.331 -1.384 0.000) 1.423 42.968 ( 9.970 3.724 0.000) 10.643 43.110 ( 20.645 9.114 0.000) 22.567 43.209 ( 15.573 2.425 0.000) 15.761 43.258 ( 14.754 -10.496 0.000) 18.107 43.524 ( -4.410 11.274 0.000) 12.106 44.071 ( -15.999 -17.376 0.000) 23.620 44.223 ( -23.476 14.244 0.000) 27.459 44.457 ( -31.361 4.409 0.000) 31.669 ======================= Grid point 40 (25/120) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -8.383 6.842 0.000) 10.821 2.649 ( 8.383 6.842 0.000) 10.821 2.820 ( -5.520 0.262 0.000) 5.526 2.820 ( 5.520 0.262 0.000) 5.526 3.252 ( -7.551 14.339 0.000) 16.206 3.252 ( 7.551 14.339 0.000) 16.206 3.833 ( -1.995 -10.106 0.000) 10.301 3.833 ( 1.995 -10.106 0.000) 10.301 4.212 ( -14.336 3.035 0.000) 14.654 4.212 ( 14.336 3.035 0.000) 14.654 4.252 ( -2.778 5.668 0.000) 6.312 4.252 ( 2.778 5.668 0.000) 6.312 4.916 ( -1.972 10.087 0.000) 10.278 4.916 ( 1.972 10.087 0.000) 10.278 5.099 ( -3.516 0.867 0.000) 3.622 5.099 ( 3.516 0.867 0.000) 3.622 5.148 ( -1.129 -0.867 0.000) 1.423 5.148 ( 1.129 -0.867 0.000) 1.423 5.337 ( -0.089 -9.280 0.000) 9.280 5.337 ( 0.089 -9.280 0.000) 9.280 5.821 ( -18.620 3.916 0.000) 19.027 5.821 ( 18.620 3.916 0.000) 19.027 6.072 ( -12.797 -7.855 0.000) 15.015 6.072 ( 12.797 -7.855 0.000) 15.015 6.361 ( -5.754 7.843 0.000) 9.727 6.361 ( 5.754 7.843 0.000) 9.727 6.504 ( -1.848 2.590 0.000) 3.181 6.504 ( 1.848 2.590 0.000) 3.181 6.863 ( -2.631 5.755 0.000) 6.328 6.863 ( 2.631 5.755 0.000) 6.328 6.984 ( -4.563 0.250 0.000) 4.570 6.984 ( 4.563 0.250 0.000) 4.570 7.397 ( -2.086 2.170 0.000) 3.010 7.397 ( 2.086 2.170 0.000) 3.010 7.549 ( -2.127 -3.881 0.000) 4.426 7.549 ( 2.127 -3.881 0.000) 4.426 20.163 ( -0.929 0.799 0.000) 1.225 20.163 ( 0.929 0.799 0.000) 1.225 20.197 ( -0.676 -0.597 0.000) 0.902 20.197 ( 0.676 -0.597 0.000) 0.902 20.281 ( -0.427 3.433 0.000) 3.460 20.281 ( 0.427 3.433 0.000) 3.460 20.368 ( -0.274 -1.169 0.000) 1.200 20.368 ( 0.274 -1.169 0.000) 1.200 25.027 ( -10.003 -0.110 0.000) 10.004 25.027 ( 10.003 -0.110 0.000) 10.004 25.036 ( -9.893 -0.666 0.000) 9.915 25.036 ( 9.893 -0.666 0.000) 9.915 31.743 ( -0.495 -0.128 0.000) 0.512 31.743 ( 0.495 -0.128 0.000) 0.512 31.777 ( -0.307 -1.546 0.000) 1.576 31.777 ( 0.307 -1.546 0.000) 1.576 43.185 ( -9.844 6.059 0.000) 11.559 43.185 ( 9.844 6.059 0.000) 11.559 43.484 ( -3.117 -2.806 0.000) 4.194 43.484 ( 3.117 -2.806 0.000) 4.194 43.790 ( -16.380 4.856 0.000) 17.085 43.790 ( 16.380 4.856 0.000) 17.085 43.873 ( -14.244 1.296 0.000) 14.303 43.873 ( 14.244 1.296 0.000) 14.303 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.000 -19.341 0.000) 19.341 2.373 ( 0.000 19.341 0.000) 19.341 2.954 ( 0.000 -20.053 0.000) 20.053 2.954 ( 0.000 20.053 0.000) 20.053 3.473 ( 0.000 -0.538 0.000) 0.538 3.473 ( 0.000 0.538 0.000) 0.538 3.753 ( 0.000 -3.364 0.000) 3.364 3.753 ( 0.000 3.364 0.000) 3.364 3.774 ( 0.000 -15.371 0.000) 15.371 3.774 ( 0.000 15.371 0.000) 15.371 4.231 ( 0.000 -3.589 0.000) 3.589 4.231 ( 0.000 3.589 0.000) 3.589 4.755 ( 0.000 -9.436 0.000) 9.436 4.755 ( 0.000 9.436 0.000) 9.436 4.825 ( 0.000 -7.570 0.000) 7.570 4.825 ( 0.000 7.570 0.000) 7.570 5.066 ( 0.000 -12.857 0.000) 12.857 5.066 ( 0.000 12.857 0.000) 12.857 5.112 ( 0.000 -4.744 0.000) 4.744 5.112 ( 0.000 4.744 0.000) 4.744 5.297 ( 0.000 -6.789 0.000) 6.789 5.297 ( 0.000 6.789 0.000) 6.789 6.207 ( 0.000 -5.573 0.000) 5.573 6.207 ( 0.000 5.573 0.000) 5.573 6.443 ( 0.000 -1.870 0.000) 1.870 6.443 ( 0.000 1.870 0.000) 1.870 6.623 ( 0.000 -3.406 0.000) 3.406 6.623 ( 0.000 3.406 0.000) 3.406 7.026 ( 0.000 -2.479 0.000) 2.479 7.026 ( 0.000 2.479 0.000) 2.479 7.181 ( 0.000 -11.481 0.000) 11.481 7.181 ( 0.000 11.481 0.000) 11.481 7.795 ( 0.000 -3.846 0.000) 3.846 7.795 ( 0.000 3.846 0.000) 3.846 7.803 ( 0.000 -11.244 0.000) 11.244 7.803 ( 0.000 11.244 0.000) 11.244 20.138 ( 0.000 -0.752 0.000) 0.752 20.138 ( 0.000 0.752 0.000) 0.752 20.238 ( 0.000 -0.357 0.000) 0.357 20.238 ( 0.000 0.357 0.000) 0.357 20.313 ( 0.000 -2.536 0.000) 2.536 20.313 ( 0.000 2.536 0.000) 2.536 20.340 ( 0.000 -0.453 0.000) 0.453 20.340 ( 0.000 0.453 0.000) 0.453 24.394 ( 0.000 -0.166 0.000) 0.166 24.394 ( 0.000 0.166 0.000) 0.166 25.481 ( 0.000 -0.206 0.000) 0.206 25.481 ( 0.000 0.206 0.000) 0.206 31.723 ( 0.000 -1.060 0.000) 1.060 31.723 ( 0.000 1.060 0.000) 1.060 31.790 ( 0.000 -0.331 0.000) 0.331 31.790 ( 0.000 0.331 0.000) 0.331 42.495 ( 0.000 -3.912 0.000) 3.912 42.495 ( 0.000 3.912 0.000) 3.912 42.637 ( 0.000 -2.316 0.000) 2.316 42.637 ( 0.000 2.316 0.000) 2.316 44.244 ( 0.000 -20.932 0.000) 20.932 44.244 ( 0.000 20.932 0.000) 20.932 45.548 ( 0.000 -17.932 0.000) 17.932 45.548 ( 0.000 17.932 0.000) 17.932 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 4.485 -17.386 0.000) 17.956 2.427 ( 4.485 17.386 0.000) 17.956 2.998 ( 3.810 -20.733 0.000) 21.081 2.998 ( 3.810 20.733 0.000) 21.081 3.397 ( -6.062 -4.007 0.000) 7.266 3.397 ( -6.062 4.007 0.000) 7.266 3.720 ( -2.491 -4.404 0.000) 5.060 3.720 ( -2.491 4.404 0.000) 5.060 3.826 ( 4.338 -14.638 0.000) 15.267 3.826 ( 4.338 14.638 0.000) 15.267 4.307 ( 6.660 -4.870 0.000) 8.251 4.307 ( 6.660 4.870 0.000) 8.251 4.829 ( 5.948 -10.495 0.000) 12.063 4.829 ( 5.948 10.495 0.000) 12.063 4.862 ( 3.238 -7.797 0.000) 8.443 4.862 ( 3.238 7.797 0.000) 8.443 5.054 ( -0.846 -8.970 0.000) 9.010 5.054 ( -0.846 8.970 0.000) 9.010 5.125 ( 1.191 -4.454 0.000) 4.610 5.125 ( 1.191 4.454 0.000) 4.610 5.320 ( 2.374 -6.699 0.000) 7.107 5.320 ( 2.374 6.699 0.000) 7.107 6.215 ( 0.922 -5.210 0.000) 5.291 6.215 ( 0.922 5.210 0.000) 5.291 6.447 ( 0.254 -2.008 0.000) 2.024 6.447 ( 0.254 2.008 0.000) 2.024 6.621 ( -0.564 -2.558 0.000) 2.619 6.621 ( -0.564 2.558 0.000) 2.619 6.986 ( -3.354 -2.048 0.000) 3.930 6.986 ( -3.354 2.048 0.000) 3.930 7.153 ( -2.537 -10.967 0.000) 11.257 7.153 ( -2.537 10.967 0.000) 11.257 7.752 ( -3.978 -3.875 0.000) 5.553 7.752 ( -3.978 3.875 0.000) 5.553 7.765 ( -3.453 -10.247 0.000) 10.813 7.765 ( -3.453 10.247 0.000) 10.813 20.141 ( 0.265 -0.892 0.000) 0.930 20.141 ( 0.265 0.892 0.000) 0.930 20.232 ( -0.566 -0.341 0.000) 0.661 20.232 ( -0.566 0.341 0.000) 0.661 20.318 ( 0.404 -2.544 0.000) 2.575 20.318 ( 0.404 2.544 0.000) 2.575 20.340 ( -0.073 -0.660 0.000) 0.664 20.340 ( -0.073 0.660 0.000) 0.664 24.450 ( 5.194 -0.067 0.000) 5.194 24.450 ( 5.194 0.067 0.000) 5.194 25.452 ( -2.772 -0.243 0.000) 2.783 25.452 ( -2.772 0.243 0.000) 2.783 31.726 ( 0.273 -1.057 0.000) 1.091 31.726 ( 0.273 1.057 0.000) 1.091 31.785 ( -0.436 -0.334 0.000) 0.549 31.785 ( -0.436 0.334 0.000) 0.549 42.583 ( 8.269 -3.809 0.000) 9.104 42.583 ( 8.269 3.809 0.000) 9.104 42.691 ( 5.057 -3.057 0.000) 5.909 42.691 ( 5.057 3.057 0.000) 5.909 44.180 ( -6.039 -20.145 0.000) 21.030 44.180 ( -6.039 20.145 0.000) 21.030 45.395 ( -14.106 -15.932 0.000) 21.280 45.395 ( -14.106 15.932 0.000) 21.280 ======================= Grid point 49 (28/120) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 5.053 -12.792 0.000) 13.753 2.532 ( 5.053 12.792 0.000) 13.753 3.058 ( -1.111 -16.208 0.000) 16.246 3.058 ( -1.111 16.208 0.000) 16.246 3.298 ( -0.075 -3.485 0.000) 3.486 3.298 ( -0.075 3.485 0.000) 3.486 3.675 ( -1.644 -7.521 0.000) 7.699 3.675 ( -1.644 7.521 0.000) 7.699 3.939 ( 6.323 -13.153 0.000) 14.594 3.939 ( 6.323 13.153 0.000) 14.594 4.457 ( 5.544 -8.754 0.000) 10.362 4.457 ( 5.544 8.754 0.000) 10.362 4.936 ( 3.224 -10.874 0.000) 11.342 4.936 ( 3.224 10.874 0.000) 11.342 4.948 ( 4.690 -8.290 0.000) 9.525 4.948 ( 4.690 8.290 0.000) 9.525 5.070 ( 3.417 -5.090 0.000) 6.130 5.070 ( 3.417 5.090 0.000) 6.130 5.154 ( 1.366 -3.911 0.000) 4.143 5.154 ( 1.366 3.911 0.000) 4.143 5.408 ( 6.362 -10.724 0.000) 12.469 5.408 ( 6.362 10.724 0.000) 12.469 6.258 ( 3.534 -4.702 0.000) 5.882 6.258 ( 3.534 4.702 0.000) 5.882 6.432 ( -3.144 -2.857 0.000) 4.248 6.432 ( -3.144 2.857 0.000) 4.248 6.579 ( -3.239 -0.355 0.000) 3.258 6.579 ( -3.239 0.355 0.000) 3.258 6.924 ( -1.495 -1.480 0.000) 2.103 6.924 ( -1.495 1.480 0.000) 2.103 7.083 ( -3.943 -9.394 0.000) 10.189 7.083 ( -3.943 9.394 0.000) 10.189 7.638 ( -6.428 -3.975 0.000) 7.558 7.638 ( -6.428 3.975 0.000) 7.558 7.667 ( -5.555 -7.880 0.000) 9.641 7.667 ( -5.555 7.880 0.000) 9.641 20.149 ( 0.543 -1.060 0.000) 1.191 20.149 ( 0.543 1.060 0.000) 1.191 20.217 ( -0.799 -0.553 0.000) 0.972 20.217 ( -0.799 0.553 0.000) 0.972 20.327 ( 0.412 -2.575 0.000) 2.608 20.327 ( 0.412 2.575 0.000) 2.608 20.338 ( -0.060 -1.146 0.000) 1.148 20.338 ( -0.060 1.146 0.000) 1.148 24.602 ( 8.928 -0.129 0.000) 8.929 24.602 ( 8.928 0.129 0.000) 8.929 25.365 ( -5.549 -0.269 0.000) 5.555 25.365 ( -5.549 0.269 0.000) 5.555 31.734 ( 0.421 -1.043 0.000) 1.125 31.734 ( 0.421 1.043 0.000) 1.125 31.774 ( -0.591 -0.516 0.000) 0.785 31.774 ( -0.591 0.516 0.000) 0.785 42.837 ( 15.727 -3.439 0.000) 16.098 42.837 ( 15.727 3.439 0.000) 16.098 42.845 ( 9.473 -4.951 0.000) 10.689 42.845 ( 9.473 4.951 0.000) 10.689 44.001 ( -10.593 -17.902 0.000) 20.801 44.001 ( -10.593 17.902 0.000) 20.801 44.985 ( -23.953 -11.284 0.000) 26.478 44.985 ( -23.953 11.284 0.000) 26.478 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 5.340 -8.060 0.000) 9.669 2.638 ( 5.340 8.060 0.000) 9.669 2.933 ( -8.187 -5.468 0.000) 9.845 2.933 ( -8.187 5.468 0.000) 9.845 3.408 ( 7.697 -15.663 0.000) 17.452 3.408 ( 7.697 15.663 0.000) 17.452 3.638 ( -2.404 -11.875 0.000) 12.116 3.638 ( -2.404 11.875 0.000) 12.116 4.093 ( 8.359 -9.606 0.000) 12.734 4.093 ( 8.359 9.606 0.000) 12.734 4.457 ( -5.524 -8.115 0.000) 9.817 4.457 ( -5.524 8.115 0.000) 9.817 5.022 ( 5.260 -1.298 0.000) 5.417 5.022 ( 5.260 1.298 0.000) 5.417 5.045 ( 4.122 -8.481 0.000) 9.430 5.045 ( 4.122 8.481 0.000) 9.430 5.142 ( 1.968 -6.904 0.000) 7.179 5.142 ( 1.968 6.904 0.000) 7.179 5.172 ( 0.032 -3.924 0.000) 3.924 5.172 ( 0.032 3.924 0.000) 3.924 5.607 ( 12.811 -10.445 0.000) 16.529 5.607 ( 12.811 10.445 0.000) 16.529 6.250 ( -13.472 -4.086 0.000) 14.078 6.250 ( -13.472 4.086 0.000) 14.078 6.364 ( 6.142 -4.931 0.000) 7.876 6.364 ( 6.142 4.931 0.000) 7.876 6.535 ( -1.280 -1.571 0.000) 2.027 6.535 ( -1.280 1.571 0.000) 2.027 6.927 ( 1.043 -1.799 0.000) 2.079 6.927 ( 1.043 1.799 0.000) 2.079 7.002 ( -3.397 -6.814 0.000) 7.614 7.002 ( -3.397 6.814 0.000) 7.614 7.511 ( -4.786 -4.143 0.000) 6.330 7.511 ( -4.786 4.143 0.000) 6.330 7.548 ( -5.271 -5.516 0.000) 7.630 7.548 ( -5.271 5.516 0.000) 7.630 20.163 ( 0.773 -1.056 0.000) 1.308 20.163 ( 0.773 1.056 0.000) 1.308 20.199 ( -0.876 -0.780 0.000) 1.173 20.199 ( -0.876 0.780 0.000) 1.173 20.334 ( 0.228 -2.494 0.000) 2.504 20.334 ( 0.228 2.494 0.000) 2.504 20.337 ( -0.022 -1.706 0.000) 1.707 20.337 ( -0.022 1.706 0.000) 1.707 24.810 ( 10.486 -0.211 0.000) 10.489 24.810 ( 10.486 0.211 0.000) 10.489 25.220 ( -8.128 -0.222 0.000) 8.131 25.220 ( -8.128 0.222 0.000) 8.131 31.743 ( 0.438 -1.007 0.000) 1.098 31.743 ( 0.438 1.007 0.000) 1.098 31.762 ( -0.517 -0.764 0.000) 0.922 31.762 ( -0.517 0.764 0.000) 0.922 43.078 ( 12.399 -7.519 0.000) 14.501 43.078 ( 12.399 7.519 0.000) 14.501 43.218 ( 18.841 -2.018 0.000) 18.949 43.218 ( 18.841 2.018 0.000) 18.949 43.766 ( -9.975 -13.738 0.000) 16.978 43.766 ( -9.975 13.738 0.000) 16.978 44.432 ( -27.678 -6.508 0.000) 28.433 44.432 ( -27.678 6.508 0.000) 28.433 ======================= Grid point 53 (30/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -7.145 -4.912 0.000) 8.671 2.768 ( 7.145 -4.912 0.000) 8.671 2.768 ( -7.145 4.912 0.000) 8.671 2.768 ( 7.145 4.912 0.000) 8.671 3.555 ( -5.648 -15.857 0.000) 16.833 3.555 ( 5.648 -15.857 0.000) 16.833 3.555 ( -5.648 15.857 0.000) 16.833 3.555 ( 5.648 15.857 0.000) 16.833 4.285 ( -9.514 -2.106 0.000) 9.744 4.285 ( -9.514 2.106 0.000) 9.744 4.285 ( 9.514 -2.106 0.000) 9.744 4.285 ( 9.514 2.106 0.000) 9.744 5.098 ( -0.293 -5.121 0.000) 5.129 5.098 ( 0.293 -5.121 0.000) 5.129 5.098 ( -0.293 5.121 0.000) 5.129 5.098 ( 0.293 5.121 0.000) 5.129 5.157 ( -0.701 -6.259 0.000) 6.298 5.157 ( 0.701 -6.259 0.000) 6.298 5.157 ( -0.701 6.259 0.000) 6.298 5.157 ( 0.701 6.259 0.000) 6.298 5.924 ( -16.399 -6.615 0.000) 17.683 5.924 ( -16.399 6.615 0.000) 17.683 5.924 ( 16.399 -6.615 0.000) 17.683 5.924 ( 16.399 6.615 0.000) 17.683 6.483 ( -4.284 -4.152 0.000) 5.966 6.483 ( 4.284 -4.152 0.000) 5.966 6.483 ( -4.284 4.152 0.000) 5.966 6.483 ( 4.284 4.152 0.000) 5.966 6.951 ( -1.451 -3.338 0.000) 3.640 6.951 ( 1.451 -3.338 0.000) 3.640 6.951 ( -1.451 3.338 0.000) 3.640 6.951 ( 1.451 3.338 0.000) 3.640 7.472 ( -1.319 -4.342 0.000) 4.538 7.472 ( 1.319 -4.342 0.000) 4.538 7.472 ( -1.319 4.342 0.000) 4.538 7.472 ( 1.319 4.342 0.000) 4.538 20.181 ( -0.880 -0.938 0.000) 1.286 20.181 ( 0.880 -0.938 0.000) 1.286 20.181 ( -0.880 0.938 0.000) 1.286 20.181 ( 0.880 0.938 0.000) 1.286 20.337 ( -0.067 -2.193 0.000) 2.194 20.337 ( 0.067 -2.193 0.000) 2.194 20.337 ( -0.067 2.193 0.000) 2.194 20.337 ( 0.067 2.193 0.000) 2.194 25.028 ( -10.009 -0.190 0.000) 10.011 25.028 ( -10.009 0.190 0.000) 10.011 25.028 ( 10.009 -0.190 0.000) 10.011 25.028 ( 10.009 0.190 0.000) 10.011 31.752 ( -0.437 -0.926 0.000) 1.024 31.752 ( 0.437 -0.926 0.000) 1.024 31.752 ( -0.437 0.926 0.000) 1.024 31.752 ( 0.437 0.926 0.000) 1.024 43.334 ( -9.894 -8.921 0.000) 13.322 43.334 ( 9.894 -8.921 0.000) 13.322 43.334 ( -9.894 8.921 0.000) 13.322 43.334 ( 9.894 8.921 0.000) 13.322 43.878 ( -22.648 -2.671 0.000) 22.805 43.878 ( -22.648 2.671 0.000) 22.805 43.878 ( 22.648 -2.671 0.000) 22.805 43.878 ( 22.648 2.671 0.000) 22.805 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 0.000 22.466) 22.466 0.579 ( 0.000 0.000 29.094) 29.094 1.127 ( 0.000 0.000 56.217) 56.217 2.594 ( 0.000 0.000 -26.285) 26.285 2.670 ( 0.000 0.000 -20.006) 20.006 3.254 ( 0.000 0.000 12.879) 12.879 3.364 ( 0.000 0.000 11.501) 11.501 3.414 ( 0.000 0.000 3.032) 3.032 3.731 ( 0.000 0.000 -2.484) 2.484 3.976 ( 0.000 0.000 8.037) 8.037 3.980 ( 0.000 0.000 -2.783) 2.783 4.138 ( 0.000 0.000 -8.264) 8.264 4.521 ( 0.000 0.000 9.872) 9.872 4.820 ( 0.000 0.000 4.703) 4.703 4.877 ( 0.000 0.000 -20.578) 20.578 4.907 ( 0.000 0.000 0.336) 0.336 5.040 ( 0.000 0.000 -0.533) 0.533 5.068 ( 0.000 0.000 -10.098) 10.098 5.238 ( 0.000 0.000 -8.570) 8.570 5.269 ( 0.000 0.000 9.967) 9.967 5.304 ( 0.000 0.000 -3.546) 3.546 5.336 ( 0.000 0.000 0.686) 0.686 5.450 ( 0.000 0.000 -1.654) 1.654 5.538 ( 0.000 0.000 2.537) 2.537 5.646 ( 0.000 0.000 4.475) 4.475 5.766 ( 0.000 0.000 2.278) 2.278 5.837 ( 0.000 0.000 0.511) 0.511 6.251 ( 0.000 0.000 -6.625) 6.625 6.964 ( 0.000 0.000 2.655) 2.655 7.002 ( 0.000 0.000 4.793) 4.793 7.313 ( 0.000 0.000 -2.567) 2.567 7.478 ( 0.000 0.000 14.991) 14.991 7.628 ( 0.000 0.000 -6.706) 6.706 7.791 ( 0.000 0.000 1.243) 1.243 7.813 ( 0.000 0.000 1.383) 1.383 8.848 ( 0.000 0.000 -7.392) 7.392 19.974 ( 0.000 0.000 0.300) 0.300 20.005 ( 0.000 0.000 -0.173) 0.173 20.095 ( 0.000 0.000 0.566) 0.566 20.141 ( 0.000 0.000 2.328) 2.328 20.172 ( 0.000 0.000 -0.601) 0.601 20.367 ( 0.000 0.000 0.665) 0.665 20.435 ( 0.000 0.000 -1.960) 1.960 20.500 ( 0.000 0.000 -1.575) 1.575 24.397 ( 0.000 0.000 0.136) 0.136 24.414 ( 0.000 0.000 -0.133) 0.133 25.481 ( 0.000 0.000 0.118) 0.118 25.506 ( 0.000 0.000 -0.267) 0.267 31.835 ( 0.000 0.000 0.121) 0.121 31.870 ( 0.000 0.000 -0.400) 0.400 31.874 ( 0.000 0.000 0.349) 0.349 31.907 ( 0.000 0.000 -0.146) 0.146 41.807 ( 0.000 0.000 3.467) 3.467 42.263 ( 0.000 0.000 -3.529) 3.529 43.048 ( 0.000 0.000 0.957) 0.957 43.096 ( 0.000 0.000 0.202) 0.202 43.161 ( 0.000 0.000 1.792) 1.792 43.387 ( 0.000 0.000 -1.701) 1.701 46.247 ( 0.000 0.000 1.676) 1.676 46.466 ( 0.000 0.000 -1.676) 1.676 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 20.004 0.000 13.306) 24.025 0.886 ( 22.169 0.000 18.021) 28.570 1.407 ( 24.938 0.000 42.640) 49.397 2.611 ( 1.601 0.000 -25.240) 25.291 2.634 ( -3.036 0.000 -17.526) 17.787 3.133 ( -9.592 0.000 10.791) 14.438 3.265 ( -9.479 0.000 4.436) 10.466 3.350 ( -4.864 0.000 7.970) 9.337 3.710 ( -5.994 0.000 -4.988) 7.797 4.011 ( 6.623 0.000 8.584) 10.842 4.052 ( 6.355 0.000 -1.916) 6.638 4.227 ( 7.357 0.000 -7.067) 10.202 4.584 ( 5.798 0.000 9.345) 10.998 4.854 ( 5.346 0.000 -4.746) 7.149 4.912 ( -2.289 0.000 -16.111) 16.272 4.933 ( 2.369 0.000 1.419) 2.761 4.999 ( -4.435 0.000 -5.224) 6.853 5.073 ( 3.116 0.000 -0.910) 3.246 5.245 ( 1.007 0.000 -5.450) 5.543 5.250 ( -0.070 0.000 5.693) 5.693 5.372 ( 0.700 0.000 2.989) 3.070 5.374 ( 4.873 0.000 -0.062) 4.873 5.473 ( 2.753 0.000 -1.278) 3.035 5.635 ( 4.923 0.000 5.994) 7.756 5.759 ( -0.539 0.000 2.319) 2.381 5.834 ( -0.254 0.000 0.428) 0.498 6.041 ( 26.022 0.000 -18.237) 31.777 6.236 ( -1.326 0.000 -6.480) 6.614 6.898 ( -6.216 0.000 2.643) 6.754 6.946 ( -5.235 0.000 4.939) 7.197 7.244 ( -6.569 0.000 -2.532) 7.040 7.478 ( 0.126 0.000 14.044) 14.045 7.569 ( -5.882 0.000 -4.077) 7.157 7.777 ( 0.704 0.000 -1.211) 1.400 7.838 ( 0.847 0.000 0.406) 0.940 8.566 ( -17.163 0.000 5.464) 18.011 19.978 ( 0.378 0.000 0.319) 0.494 20.012 ( 0.648 0.000 -0.202) 0.679 20.091 ( -0.456 0.000 0.561) 0.723 20.143 ( 0.321 0.000 2.145) 2.169 20.165 ( -0.577 0.000 -0.587) 0.824 20.323 ( -2.418 0.000 2.321) 3.351 20.438 ( 0.228 0.000 -1.933) 1.947 20.496 ( -0.413 0.000 -1.743) 1.792 24.469 ( 5.048 0.000 -0.052) 5.049 24.611 ( 12.535 0.000 -10.388) 16.280 25.453 ( -2.678 0.000 0.100) 2.680 25.479 ( -2.607 0.000 -0.293) 2.623 31.837 ( 0.117 0.000 0.026) 0.120 31.862 ( -0.391 0.000 -0.718) 0.817 31.880 ( 0.267 0.000 -0.015) 0.268 31.898 ( -0.537 0.000 -0.270) 0.601 41.854 ( 4.394 0.000 3.428) 5.573 42.305 ( 3.948 0.000 -3.504) 5.279 43.041 ( 0.817 0.000 2.126) 2.278 43.103 ( -5.411 0.000 1.930) 5.745 43.217 ( 9.956 0.000 -0.619) 9.975 43.346 ( -3.924 0.000 -1.822) 4.326 45.015 ( -74.169 0.000 75.624) 105.924 46.097 ( -14.154 0.000 0.746) 14.173 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 23.191 0.000 6.694) 24.138 1.377 ( 23.795 0.000 11.020) 26.223 2.053 ( 33.897 0.000 23.364) 41.169 2.574 ( -1.577 0.000 -11.917) 12.021 2.650 ( 1.135 0.000 -22.232) 22.261 2.901 ( -12.028 0.000 7.588) 14.222 3.006 ( -13.534 0.000 3.208) 13.909 3.230 ( -6.419 0.000 5.241) 8.287 3.471 ( -15.179 0.000 -4.769) 15.911 4.213 ( 8.058 0.000 -0.077) 8.058 4.229 ( 11.999 0.000 3.500) 12.499 4.384 ( 6.194 0.000 -3.963) 7.353 4.668 ( -17.660 0.000 -5.111) 18.384 4.757 ( 10.425 0.000 6.903) 12.503 4.913 ( -0.011 0.000 -17.990) 17.990 4.996 ( 3.386 0.000 3.783) 5.077 5.085 ( 7.954 0.000 3.472) 8.678 5.164 ( 5.034 0.000 -1.360) 5.214 5.256 ( -0.275 0.000 -2.819) 2.832 5.278 ( 2.523 0.000 3.839) 4.594 5.408 ( 4.424 0.000 2.682) 5.174 5.492 ( 6.176 0.000 -0.564) 6.202 5.557 ( 4.968 0.000 -0.196) 4.972 5.759 ( 6.291 0.000 9.481) 11.378 5.761 ( 1.437 0.000 2.243) 2.664 5.827 ( -0.319 0.000 0.126) 0.343 6.205 ( -1.130 0.000 -5.933) 6.040 6.433 ( 11.500 0.000 -8.726) 14.436 6.709 ( -11.470 0.000 2.624) 11.766 6.797 ( -7.932 0.000 5.334) 9.559 7.044 ( -12.174 0.000 -2.431) 12.414 7.395 ( -9.593 0.000 -0.403) 9.602 7.495 ( 1.158 0.000 10.073) 10.139 7.775 ( -2.043 0.000 -2.669) 3.361 7.877 ( 3.482 0.000 -2.638) 4.368 8.295 ( -8.990 0.000 -0.537) 9.006 19.990 ( 0.749 0.000 0.361) 0.832 20.031 ( 1.140 0.000 -0.276) 1.173 20.077 ( -0.832 0.000 0.549) 0.997 20.148 ( -1.068 0.000 -0.549) 1.201 20.157 ( 1.022 0.000 1.624) 1.919 20.283 ( -1.615 0.000 1.672) 2.325 20.444 ( 0.366 0.000 -1.944) 1.978 20.485 ( -0.587 0.000 -2.054) 2.136 24.617 ( 8.746 0.000 0.090) 8.746 24.823 ( 8.362 0.000 -7.497) 11.231 25.370 ( -5.228 0.000 0.019) 5.228 25.398 ( -4.983 0.000 -0.422) 5.001 31.839 ( 0.108 0.000 -0.400) 0.414 31.855 ( -0.317 0.000 -1.413) 1.448 31.882 ( -0.074 0.000 0.146) 0.163 31.892 ( -0.043 0.000 -0.374) 0.377 41.988 ( 8.276 0.000 3.306) 8.912 42.425 ( 7.320 0.000 -3.438) 8.087 42.942 ( -9.598 0.000 2.286) 9.867 43.087 ( 3.488 0.000 4.722) 5.870 43.225 ( -7.401 0.000 -2.115) 7.697 43.502 ( 16.849 0.000 -1.597) 16.925 44.013 ( -27.871 0.000 52.049) 59.041 45.685 ( -24.206 0.000 -1.774) 24.271 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 23.049 0.000 3.031) 23.247 1.863 ( 22.004 0.000 7.247) 23.167 2.518 ( -15.817 0.000 -7.211) 17.384 2.540 ( 0.899 0.000 -4.309) 4.402 2.625 ( -5.623 0.000 2.344) 6.092 2.840 ( 28.768 0.000 11.009) 30.803 2.855 ( 1.527 0.000 -5.858) 6.054 3.089 ( -6.840 0.000 -0.195) 6.842 3.123 ( -16.081 0.000 -4.492) 16.696 4.153 ( -25.039 0.000 1.397) 25.078 4.362 ( 5.729 0.000 1.414) 5.901 4.462 ( 1.289 0.000 -0.218) 1.308 4.541 ( 11.221 0.000 -3.201) 11.668 4.885 ( -3.009 0.000 -16.464) 16.736 4.981 ( 9.305 0.000 3.941) 10.105 5.067 ( 2.998 0.000 4.599) 5.490 5.181 ( 1.633 0.000 5.557) 5.792 5.231 ( -1.782 0.000 2.098) 2.753 5.260 ( 3.725 0.000 -0.371) 3.743 5.324 ( 1.005 0.000 2.052) 2.285 5.577 ( 8.945 0.000 -1.604) 9.088 5.623 ( 6.026 0.000 -1.455) 6.199 5.662 ( 4.284 0.000 0.901) 4.378 5.797 ( -1.026 0.000 -0.405) 1.103 5.876 ( 8.102 0.000 1.355) 8.215 5.901 ( 8.457 0.000 13.925) 16.292 6.224 ( 3.875 0.000 -4.702) 6.093 6.433 ( -13.976 0.000 2.739) 14.242 6.444 ( -10.791 0.000 4.976) 11.883 6.748 ( -15.420 0.000 -2.298) 15.590 6.768 ( 6.926 0.000 0.867) 6.980 7.178 ( -10.690 0.000 0.266) 10.693 7.539 ( 2.930 0.000 6.041) 6.714 7.705 ( -4.137 0.000 -0.932) 4.241 7.964 ( 4.400 0.000 -6.454) 7.811 8.153 ( -5.210 0.000 -6.890) 8.639 20.009 ( 1.031 0.000 0.408) 1.109 20.054 ( -0.296 0.000 0.094) 0.311 20.061 ( 0.658 0.000 0.066) 0.661 20.122 ( -1.400 0.000 -0.488) 1.483 20.183 ( 1.434 0.000 1.314) 1.945 20.249 ( -1.591 0.000 1.278) 2.041 20.453 ( 0.446 0.000 -2.041) 2.090 20.473 ( -0.536 0.000 -2.217) 2.281 24.821 ( 10.386 0.000 0.137) 10.386 24.986 ( 7.392 0.000 -3.974) 8.392 25.231 ( -8.023 0.000 -0.005) 8.024 25.278 ( -6.293 0.000 -0.875) 6.354 31.841 ( 0.071 0.000 -1.120) 1.123 31.849 ( -0.265 0.000 -1.687) 1.708 31.882 ( 0.155 0.000 0.333) 0.367 31.891 ( -0.094 0.000 0.043) 0.103 42.194 ( 11.130 0.000 3.083) 11.549 42.601 ( 8.340 0.000 -3.397) 9.005 42.716 ( -10.697 0.000 2.807) 11.059 43.042 ( -9.766 0.000 -2.445) 10.067 43.186 ( 5.969 0.000 9.150) 10.925 43.569 ( -13.034 0.000 27.409) 30.351 43.968 ( 22.997 0.000 -1.418) 23.041 45.120 ( -28.673 0.000 -3.629) 28.901 ======================= Grid point 103 (35/120) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -21.434 0.000 -0.140) 21.434 2.110 ( 21.434 0.000 -0.140) 21.434 2.279 ( -17.223 0.000 5.697) 18.141 2.279 ( 17.223 0.000 5.697) 18.141 2.770 ( -13.181 0.000 -7.083) 14.963 2.770 ( 13.181 0.000 -7.083) 14.963 2.951 ( -6.066 0.000 -5.412) 8.129 2.951 ( 6.066 0.000 -5.412) 8.129 3.543 ( -31.761 0.000 6.719) 32.464 3.543 ( 31.761 0.000 6.719) 32.464 4.448 ( -2.455 0.000 1.567) 2.913 4.448 ( 2.455 0.000 1.567) 2.913 4.765 ( -8.649 0.000 -10.600) 13.680 4.765 ( 8.649 0.000 -10.600) 13.680 5.095 ( -1.300 0.000 3.720) 3.940 5.095 ( 1.300 0.000 3.720) 3.940 5.201 ( -0.922 0.000 5.485) 5.562 5.201 ( 0.922 0.000 5.485) 5.562 5.315 ( -1.577 0.000 0.897) 1.814 5.315 ( 1.577 0.000 0.897) 1.814 5.692 ( -1.960 0.000 0.000) 1.960 5.692 ( 1.960 0.000 0.000) 1.960 5.736 ( -4.468 0.000 -1.790) 4.813 5.736 ( 4.468 0.000 -1.790) 4.813 6.114 ( -13.433 0.000 1.369) 13.502 6.114 ( 13.433 0.000 1.369) 13.502 6.155 ( -14.597 0.000 10.716) 18.108 6.155 ( 14.597 0.000 10.716) 18.108 6.433 ( -13.204 0.000 -2.192) 13.384 6.433 ( 13.204 0.000 -2.192) 13.384 6.958 ( -10.066 0.000 0.659) 10.087 6.958 ( 10.066 0.000 0.659) 10.087 7.615 ( -4.195 0.000 1.885) 4.599 7.615 ( 4.195 0.000 1.885) 4.599 8.056 ( -4.348 0.000 -8.222) 9.301 8.056 ( 4.348 0.000 -8.222) 9.301 20.032 ( -1.147 0.000 0.443) 1.229 20.032 ( 1.147 0.000 0.443) 1.229 20.091 ( -1.527 0.000 -0.404) 1.579 20.091 ( 1.527 0.000 -0.404) 1.579 20.216 ( -1.600 0.000 1.199) 1.999 20.216 ( 1.600 0.000 1.199) 1.999 20.462 ( -0.479 0.000 -2.171) 2.223 20.462 ( 0.479 0.000 -2.171) 2.223 25.039 ( -9.958 0.000 0.044) 9.958 25.039 ( 9.958 0.000 0.044) 9.958 25.138 ( -6.966 0.000 -1.925) 7.228 25.138 ( 6.966 0.000 -1.925) 7.228 31.844 ( -0.197 0.000 -1.591) 1.603 31.844 ( 0.197 0.000 -1.591) 1.603 31.887 ( -0.251 0.000 0.337) 0.420 31.887 ( 0.251 0.000 0.337) 0.420 42.445 ( -12.407 0.000 2.675) 12.692 42.445 ( 12.407 0.000 2.675) 12.692 42.827 ( -10.468 0.000 -2.650) 10.798 42.827 ( 10.468 0.000 -2.650) 10.798 43.341 ( -8.879 0.000 16.325) 18.583 43.341 ( 8.879 0.000 16.325) 18.583 44.516 ( -28.134 0.000 -3.848) 28.396 44.516 ( 28.134 0.000 -3.848) 28.396 ======================= Grid point 108 (36/120) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 16.903 21.747) 27.544 1.007 ( 0.000 28.878 19.337) 34.754 1.538 ( 0.000 43.372 32.467) 54.178 2.678 ( 0.000 2.111 -17.945) 18.069 2.745 ( 0.000 12.789 -23.546) 26.795 3.171 ( 0.000 -3.546 7.114) 7.949 3.438 ( 0.000 7.071 9.742) 12.038 3.501 ( 0.000 6.995 2.001) 7.275 3.730 ( 0.000 0.734 -3.475) 3.552 3.907 ( 0.000 -5.813 7.084) 9.164 4.157 ( 0.000 11.497 -4.734) 12.433 4.176 ( 0.000 2.867 -7.249) 7.795 4.517 ( 0.000 -0.783 7.064) 7.107 4.734 ( 0.000 -5.438 2.186) 5.861 4.882 ( 0.000 1.126 -16.533) 16.571 4.992 ( 0.000 -7.843 -6.525) 10.203 5.013 ( 0.000 0.854 -0.869) 1.218 5.058 ( 0.000 7.863 2.523) 8.258 5.188 ( 0.000 -6.407 9.853) 11.753 5.197 ( 0.000 -1.654 -8.592) 8.749 5.337 ( 0.000 0.319 -8.843) 8.848 5.370 ( 0.000 3.243 5.897) 6.731 5.477 ( 0.000 7.867 5.489) 9.592 5.546 ( 0.000 10.988 1.014) 11.035 5.624 ( 0.000 -1.287 2.433) 2.753 5.892 ( 0.000 10.738 4.299) 11.566 6.267 ( 0.000 1.750 -6.212) 6.454 6.285 ( 0.000 18.937 -9.587) 21.226 6.916 ( 0.000 -2.738 2.293) 3.572 7.048 ( 0.000 1.816 6.492) 6.741 7.265 ( 0.000 -4.226 -3.145) 5.268 7.445 ( 0.000 -2.320 12.359) 12.575 7.627 ( 0.000 -0.629 -5.480) 5.516 7.786 ( 0.000 -2.571 1.140) 2.813 7.790 ( 0.000 0.184 0.565) 0.594 8.674 ( 0.000 -11.579 -4.336) 12.364 20.014 ( 0.000 3.896 0.402) 3.917 20.048 ( 0.000 2.796 1.194) 3.040 20.112 ( 0.000 -0.332 -0.061) 0.338 20.134 ( 0.000 1.889 0.038) 1.889 20.180 ( 0.000 0.751 -0.566) 0.941 20.336 ( 0.000 -1.760 2.454) 3.020 20.419 ( 0.000 -1.674 -2.344) 2.880 20.469 ( 0.000 -2.800 -1.124) 3.018 24.396 ( 0.000 -0.066 0.130) 0.146 24.413 ( 0.000 -0.151 -0.127) 0.197 25.481 ( 0.000 -0.058 0.112) 0.126 25.504 ( 0.000 -0.215 -0.236) 0.320 31.818 ( 0.000 -1.657 0.186) 1.668 31.858 ( 0.000 -1.101 -0.416) 1.177 31.865 ( 0.000 -0.879 0.335) 0.941 31.896 ( 0.000 -1.018 -0.149) 1.029 41.870 ( 0.000 6.131 3.408) 7.014 42.311 ( 0.000 4.331 -2.957) 5.244 42.933 ( 0.000 -7.836 1.109) 7.914 43.039 ( 0.000 -3.428 -1.327) 3.676 43.349 ( 0.000 9.326 -1.689) 9.477 43.617 ( 0.000 19.053 -2.441) 19.209 46.112 ( 0.000 -13.257 2.044) 13.413 46.278 ( 0.000 -10.476 4.208) 11.290 ======================= Grid point 109 (37/120) ======================= q-point: ( 0.12 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 17.591 15.070 14.593) 27.377 1.156 ( 13.292 24.798 15.751) 32.245 1.741 ( 18.773 35.450 28.058) 48.953 2.641 ( -2.641 2.392 -15.833) 16.229 2.775 ( 2.018 13.394 -22.659) 26.399 3.063 ( -8.455 -3.031 7.201) 11.512 3.366 ( -9.925 7.788 2.849) 12.933 3.437 ( -2.857 7.245 8.078) 11.220 3.688 ( -5.996 -0.849 -5.456) 8.152 3.965 ( 6.870 -3.690 6.276) 10.010 4.186 ( 3.726 10.023 -1.714) 10.829 4.268 ( 7.097 3.142 -6.501) 10.125 4.573 ( 5.280 -1.438 6.419) 8.435 4.774 ( 6.716 -6.229 2.081) 9.393 4.884 ( -6.565 -3.281 -10.700) 12.975 4.930 ( -0.744 -2.016 -11.358) 11.560 5.041 ( 2.475 2.060 0.894) 3.342 5.089 ( 2.437 5.368 -1.959) 6.212 5.183 ( 1.449 -5.750 4.907) 7.697 5.302 ( 2.199 6.344 -0.253) 6.719 5.372 ( 3.395 0.833 -7.866) 8.608 5.473 ( 0.362 8.729 3.276) 9.331 5.515 ( 6.487 -3.229 5.187) 8.911 5.606 ( 7.550 7.405 0.726) 10.600 5.716 ( 9.647 -3.162 1.509) 10.263 5.887 ( -0.321 10.881 4.412) 11.746 6.245 ( -1.684 2.124 -6.549) 7.088 6.334 ( 4.633 13.620 -9.445) 17.209 6.852 ( -6.030 -2.719 2.390) 7.034 6.998 ( -4.807 2.765 5.835) 8.050 7.202 ( -5.983 -3.959 -2.728) 7.675 7.444 ( -0.054 -2.671 11.534) 11.840 7.556 ( -6.259 -1.377 -3.129) 7.131 7.768 ( -0.118 -1.088 -1.418) 1.791 7.818 ( 0.844 -1.721 -0.006) 1.917 8.489 ( -13.619 -6.431 -0.248) 15.064 20.017 ( 0.201 3.655 0.455) 3.689 20.048 ( 0.168 2.832 0.951) 2.992 20.115 ( -0.128 1.530 -0.872) 1.766 20.126 ( -0.130 -0.140 1.486) 1.498 20.175 ( -0.442 0.829 -0.509) 1.069 20.311 ( -1.669 -0.820 2.379) 3.019 20.422 ( 0.241 -1.684 -2.321) 2.878 20.466 ( -0.217 -2.604 -1.272) 2.906 24.467 ( 5.046 -0.154 -0.056) 5.049 24.545 ( 10.897 -4.287 -4.215) 12.446 25.452 ( -2.700 -0.080 0.097) 2.703 25.477 ( -2.620 -0.227 -0.274) 2.644 31.820 ( 0.132 -1.644 0.117) 1.653 31.852 ( -0.456 -0.937 -0.526) 1.168 31.867 ( 0.138 -1.231 0.142) 1.247 31.886 ( -0.683 -1.042 -0.154) 1.256 41.921 ( 4.870 6.609 3.338) 8.862 42.357 ( 4.270 4.743 -2.977) 7.042 42.939 ( 1.056 -7.032 1.956) 7.375 43.124 ( 6.391 -2.471 -3.070) 7.508 43.326 ( -1.098 8.733 -1.170) 8.879 43.567 ( -4.567 18.110 -2.200) 18.806 45.315 ( -63.997 21.761 37.311) 77.209 45.968 ( -13.608 -12.653 1.172) 18.618 ======================= Grid point 110 (38/120) ======================= q-point: ( 0.25 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 20.190 15.704 7.272) 26.592 1.515 ( 19.692 15.356 10.791) 27.203 2.259 ( 28.076 21.696 17.193) 39.428 2.595 ( -0.955 3.040 -9.825) 10.329 2.801 ( -1.923 11.829 -14.729) 18.988 2.882 ( -6.312 1.811 0.455) 6.583 3.099 ( -13.832 7.641 2.877) 16.062 3.337 ( -6.994 7.114 4.371) 10.892 3.484 ( -12.028 3.468 -4.954) 13.462 4.173 ( 11.463 -3.670 2.049) 12.209 4.296 ( 5.934 6.303 -0.240) 8.661 4.410 ( 5.152 1.694 -2.319) 5.898 4.627 ( -14.009 -3.280 -3.121) 14.723 4.756 ( 9.184 -0.115 1.994) 9.399 4.923 ( -0.518 1.099 -14.032) 14.084 4.990 ( 11.171 -5.190 0.495) 12.328 5.114 ( 3.957 1.445 3.547) 5.507 5.144 ( 2.507 2.677 0.496) 3.701 5.226 ( 3.575 -4.331 5.306) 7.726 5.339 ( 1.888 9.185 0.268) 9.381 5.463 ( 4.873 -0.702 -4.234) 6.493 5.508 ( 3.161 9.260 0.994) 9.835 5.606 ( 4.412 2.161 3.930) 6.291 5.747 ( 5.039 2.573 5.431) 7.843 5.881 ( 1.002 7.526 3.972) 8.569 5.927 ( 7.114 8.594 0.054) 11.157 6.206 ( -1.649 0.458 -6.062) 6.299 6.461 ( 4.703 2.517 -5.250) 7.485 6.684 ( -8.025 -1.491 1.854) 8.371 6.849 ( -9.042 3.964 5.122) 11.123 7.019 ( -11.171 -2.590 -2.330) 11.702 7.379 ( -9.131 -1.522 0.010) 9.257 7.460 ( 0.773 -3.126 8.239) 8.846 7.748 ( -2.392 -2.585 -2.445) 4.287 7.844 ( 2.104 -3.081 -2.658) 4.581 8.230 ( -9.955 -5.760 -2.159) 11.702 20.023 ( 0.455 3.115 0.472) 3.184 20.059 ( 0.786 2.529 0.397) 2.678 20.099 ( -0.986 2.167 0.006) 2.381 20.138 ( 0.586 -0.845 0.717) 1.254 20.164 ( -0.290 0.873 0.004) 0.920 20.278 ( -1.528 -0.383 1.745) 2.351 20.429 ( 0.385 -1.624 -2.284) 2.828 20.460 ( -0.330 -2.151 -1.604) 2.704 24.615 ( 8.750 -0.152 0.069) 8.752 24.765 ( 9.605 -4.737 -4.758) 11.719 25.369 ( -5.242 -0.133 0.021) 5.244 25.395 ( -5.101 -0.334 -0.384) 5.126 31.823 ( 0.173 -1.593 -0.196) 1.614 31.843 ( -0.424 -1.157 -1.051) 1.620 31.870 ( 0.121 -1.326 0.116) 1.337 31.875 ( -0.354 -1.253 -0.154) 1.311 42.071 ( 9.265 8.065 3.071) 12.661 42.487 ( 7.998 5.910 -3.108) 10.419 42.978 ( 2.133 -5.155 3.644) 6.663 43.130 ( -6.114 10.680 -5.198) 13.359 43.401 ( -2.785 9.663 -0.563) 10.072 43.503 ( 10.366 3.126 -1.638) 10.950 44.233 ( -37.497 22.161 40.801) 59.682 45.572 ( -23.324 -11.158 -1.278) 25.887 ======================= Grid point 111 (39/120) ======================= q-point: ( 0.38 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 20.733 14.676 3.644) 25.661 1.937 ( 19.489 8.374 6.922) 22.313 2.542 ( -5.292 0.525 -0.670) 5.360 2.633 ( -2.848 7.180 -5.078) 9.244 2.679 ( -13.504 8.491 -1.755) 16.048 2.947 ( 21.687 11.885 6.529) 25.578 2.971 ( 3.681 9.634 -3.757) 10.977 3.133 ( -8.034 4.166 -2.697) 9.443 3.264 ( -8.107 13.667 -3.140) 16.198 4.154 ( -21.504 0.841 0.484) 21.526 4.410 ( 4.061 3.371 0.959) 5.364 4.478 ( 3.513 1.438 -3.760) 5.343 4.485 ( 8.005 -4.206 2.016) 9.265 4.856 ( -3.914 -2.189 -15.093) 15.745 5.003 ( 9.409 1.221 3.778) 10.213 5.136 ( 2.636 2.092 1.313) 3.613 5.177 ( 1.703 1.513 6.027) 6.444 5.183 ( 0.770 -1.146 4.131) 4.356 5.375 ( 7.934 1.830 2.300) 8.461 5.393 ( 3.140 11.013 0.335) 11.457 5.572 ( 5.397 -0.002 -0.670) 5.438 5.611 ( 6.882 1.895 -1.062) 7.217 5.698 ( 4.126 2.472 3.229) 5.794 5.825 ( 2.890 2.533 5.626) 6.813 5.892 ( 0.028 8.915 0.574) 8.933 6.088 ( 9.039 11.446 3.052) 14.901 6.215 ( 3.944 -0.950 -4.348) 5.946 6.319 ( -14.564 -4.718 3.007) 15.602 6.584 ( -10.479 7.529 3.823) 13.458 6.702 ( -8.087 -3.137 -1.583) 8.817 6.797 ( -0.239 1.396 0.347) 1.458 7.169 ( -10.361 -0.781 0.242) 10.393 7.501 ( 2.974 -3.549 5.318) 7.051 7.674 ( -4.346 -3.079 -0.882) 5.399 7.901 ( 3.162 -5.988 -6.036) 9.072 8.071 ( -5.679 -7.632 -6.386) 11.458 20.036 ( 0.775 2.577 0.368) 2.716 20.076 ( -0.500 2.055 -0.021) 2.115 20.081 ( 0.603 1.977 0.255) 2.083 20.130 ( -1.021 0.784 -0.333) 1.330 20.179 ( 1.385 -0.186 1.136) 1.801 20.245 ( -1.589 -0.302 1.382) 2.127 20.438 ( 0.423 -1.549 -2.222) 2.742 20.453 ( -0.335 -1.750 -1.907) 2.610 24.820 ( 10.397 -0.134 0.109) 10.398 24.952 ( 8.377 -3.000 -3.033) 9.401 25.229 ( -8.014 -0.123 -0.016) 8.015 25.270 ( -6.614 -0.764 -0.751) 6.700 31.826 ( 0.154 -1.468 -0.762) 1.661 31.835 ( -0.291 -1.326 -1.338) 1.906 31.870 ( -0.001 -1.142 0.142) 1.151 31.873 ( -0.003 -1.599 0.137) 1.605 42.303 ( 12.649 10.480 2.370) 16.596 42.681 ( 9.834 7.539 -3.624) 12.910 42.887 ( -11.326 13.290 -0.890) 17.484 43.060 ( -1.183 1.958 0.912) 2.463 43.271 ( -3.516 8.359 4.147) 9.971 43.647 ( -18.251 9.371 26.627) 33.614 43.910 ( 22.043 -5.643 -1.257) 22.788 45.026 ( -27.730 -9.256 -3.155) 29.403 ======================= Grid point 112 (40/120) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -11.521 11.399 0.828) 16.228 2.246 ( 11.521 11.399 0.828) 16.228 2.324 ( -6.879 4.708 5.266) 9.860 2.324 ( 6.879 4.708 5.266) 9.860 2.785 ( -11.349 2.521 -5.856) 13.018 2.785 ( 11.349 2.521 -5.856) 13.018 3.109 ( -6.203 13.940 -7.203) 16.872 3.109 ( 6.203 13.940 -7.203) 16.872 3.605 ( -28.872 6.853 5.968) 30.268 3.605 ( 28.872 6.853 5.968) 30.268 4.472 ( -1.724 1.905 1.259) 2.861 4.472 ( 1.724 1.905 1.259) 2.861 4.711 ( -9.485 -4.391 -9.057) 13.830 4.711 ( 9.485 -4.391 -9.057) 13.830 5.137 ( -2.832 2.076 2.943) 4.581 5.137 ( 2.832 2.076 2.943) 4.581 5.189 ( -0.189 0.454 6.471) 6.490 5.189 ( 0.189 0.454 6.471) 6.490 5.441 ( -0.804 10.740 0.296) 10.774 5.441 ( 0.804 10.740 0.296) 10.774 5.668 ( -2.684 -0.717 0.476) 2.818 5.668 ( 2.684 -0.717 0.476) 2.818 5.823 ( -4.547 6.701 -1.292) 8.200 5.823 ( 4.547 6.701 -1.292) 8.200 5.999 ( -13.261 -3.962 5.352) 14.839 5.999 ( 13.261 -3.962 5.352) 14.839 6.303 ( -9.149 7.296 2.261) 11.918 6.303 ( 9.149 7.296 2.261) 11.918 6.432 ( -10.191 0.810 0.100) 10.224 6.432 ( 10.191 0.810 0.100) 10.224 6.956 ( -9.716 -0.118 0.674) 9.740 6.956 ( 9.716 -0.118 0.674) 9.740 7.580 ( -4.344 -3.430 1.682) 5.785 7.580 ( 4.344 -3.430 1.682) 5.785 7.974 ( -3.832 -7.764 -7.597) 11.519 7.974 ( 3.833 -7.764 -7.597) 11.519 20.055 ( -0.988 2.185 0.266) 2.413 20.055 ( 0.988 2.185 0.266) 2.413 20.106 ( -1.250 1.460 -0.214) 1.934 20.106 ( 1.250 1.460 -0.214) 1.934 20.211 ( -1.627 -0.284 1.251) 2.072 20.211 ( 1.627 -0.284 1.251) 2.072 20.446 ( -0.375 -1.557 -2.105) 2.645 20.446 ( 0.375 -1.557 -2.105) 2.645 25.037 ( -9.956 -0.115 0.022) 9.957 25.037 ( 9.956 -0.115 0.022) 9.957 25.120 ( -7.542 -1.614 -1.583) 7.874 25.120 ( 7.542 -1.614 -1.583) 7.874 31.830 ( -0.206 -1.375 -1.221) 1.851 31.830 ( 0.206 -1.375 -1.221) 1.851 31.871 ( -0.104 -1.406 0.237) 1.429 31.871 ( 0.104 -1.406 0.237) 1.429 42.589 ( -14.026 13.161 0.537) 19.241 42.589 ( 14.026 13.161 0.537) 19.241 42.919 ( -10.103 8.942 -2.882) 13.796 42.919 ( 10.103 8.942 -2.882) 13.796 43.355 ( -9.648 1.881 16.357) 19.084 43.355 ( 9.648 1.881 16.357) 19.084 44.441 ( -27.273 -7.374 -3.514) 28.470 44.441 ( 27.273 -7.374 -3.514) 28.470 ======================= Grid point 117 (41/120) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 21.886 14.097) 26.033 1.508 ( 0.000 25.201 17.443) 30.649 2.483 ( 0.000 41.862 8.336) 42.684 2.793 ( 0.000 14.020 -10.811) 17.704 2.965 ( 0.000 7.807 -16.025) 17.826 3.145 ( 0.000 0.408 2.463) 2.496 3.623 ( 0.000 10.670 3.512) 11.233 3.627 ( 0.000 5.171 2.010) 5.548 3.759 ( 0.000 1.028 -4.363) 4.482 3.776 ( 0.000 -7.168 3.367) 7.919 4.218 ( 0.000 1.139 -6.313) 6.415 4.360 ( 0.000 8.419 -0.490) 8.433 4.481 ( 0.000 -2.541 0.151) 2.546 4.656 ( 0.000 -1.251 0.394) 1.311 4.784 ( 0.000 -12.565 -2.136) 12.745 4.938 ( 0.000 4.219 -4.919) 6.481 4.977 ( 0.000 -2.376 -1.841) 3.006 5.086 ( 0.000 -3.438 8.222) 8.912 5.158 ( 0.000 -2.548 -11.917) 12.187 5.199 ( 0.000 2.641 5.027) 5.679 5.348 ( 0.000 1.355 -7.876) 7.991 5.597 ( 0.000 -1.762 1.473) 2.297 5.598 ( 0.000 18.897 3.745) 19.265 5.673 ( 0.000 11.760 3.819) 12.364 5.854 ( 0.000 19.115 -0.247) 19.116 6.110 ( 0.000 9.059 3.316) 9.647 6.347 ( 0.000 8.016 -2.468) 8.388 6.496 ( 0.000 5.183 2.546) 5.774 6.862 ( 0.000 -3.319 2.166) 3.963 7.022 ( 0.000 -4.278 9.786) 10.680 7.170 ( 0.000 -5.090 -4.426) 6.745 7.448 ( 0.000 3.423 5.057) 6.106 7.589 ( 0.000 -3.236 -2.517) 4.100 7.724 ( 0.000 -3.340 1.025) 3.494 7.805 ( 0.000 1.229 -0.836) 1.486 8.462 ( 0.000 -10.700 -8.727) 13.808 20.076 ( 0.000 0.027 0.433) 0.434 20.110 ( 0.000 5.297 0.610) 5.332 20.127 ( 0.000 2.740 1.410) 3.081 20.191 ( 0.000 2.904 -1.671) 3.350 20.195 ( 0.000 0.549 -0.450) 0.710 20.314 ( 0.000 -0.428 2.687) 2.721 20.365 ( 0.000 -3.441 -2.996) 4.562 20.418 ( 0.000 -2.099 -0.225) 2.111 24.394 ( 0.000 -0.093 0.111) 0.145 24.409 ( 0.000 -0.257 -0.108) 0.279 25.479 ( 0.000 -0.074 0.094) 0.119 25.499 ( 0.000 -0.329 -0.198) 0.385 31.778 ( 0.000 -2.242 0.350) 2.269 31.829 ( 0.000 -1.790 -0.383) 1.830 31.842 ( 0.000 -1.386 0.296) 1.417 31.869 ( 0.000 -1.667 -0.138) 1.672 42.032 ( 0.000 9.858 3.266) 10.385 42.414 ( 0.000 5.633 -1.416) 5.808 42.793 ( 0.000 -6.231 1.461) 6.400 42.953 ( 0.000 -5.203 -0.768) 5.259 43.476 ( 0.000 5.085 0.496) 5.109 44.045 ( 0.000 23.107 -5.895) 23.847 45.765 ( 0.000 -20.655 4.492) 21.137 46.136 ( 0.000 -5.249 0.249) 5.255 ======================= Grid point 118 (42/120) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 14.314 19.055 10.726) 26.135 1.610 ( 9.227 23.021 15.468) 29.229 2.545 ( 5.536 31.774 4.006) 32.501 2.787 ( 0.770 20.790 -5.056) 21.410 3.004 ( 2.279 6.919 -13.106) 14.994 3.071 ( -5.167 4.358 -0.153) 6.761 3.504 ( -10.356 5.295 2.021) 11.806 3.562 ( -5.952 3.419 0.016) 6.864 3.715 ( -2.446 3.767 -1.732) 4.813 3.889 ( 8.326 -3.707 3.318) 9.699 4.317 ( 7.842 2.432 -4.675) 9.448 4.390 ( 1.804 9.205 -2.448) 9.695 4.529 ( 5.091 -2.362 0.793) 5.668 4.650 ( 1.884 -6.110 1.688) 6.613 4.757 ( -1.499 -6.915 0.424) 7.088 4.979 ( 1.234 4.992 -9.440) 10.750 5.010 ( 2.305 -2.500 -1.784) 3.840 5.080 ( 0.906 -3.766 2.421) 4.568 5.194 ( 1.546 1.455 -1.296) 2.487 5.321 ( 6.910 -3.920 -1.601) 8.104 5.438 ( 9.522 0.575 -3.107) 10.033 5.575 ( 0.694 10.165 2.061) 10.395 5.686 ( 3.324 8.694 4.782) 10.465 5.697 ( 5.542 8.333 1.544) 10.126 5.875 ( 2.240 18.066 0.187) 18.205 6.115 ( 0.709 9.475 3.050) 9.979 6.321 ( -2.334 7.883 -2.632) 8.632 6.508 ( 1.048 4.925 1.839) 5.360 6.801 ( -5.675 -2.702 1.897) 6.566 7.002 ( -1.977 -2.913 8.822) 9.499 7.107 ( -5.923 -5.054 -4.092) 8.796 7.428 ( -1.737 2.099 4.806) 5.525 7.515 ( -6.142 -2.765 -1.272) 6.855 7.723 ( -0.713 -3.354 -0.336) 3.445 7.796 ( -0.784 -0.226 -1.219) 1.467 8.342 ( -10.213 -8.534 -7.056) 15.063 20.077 ( 0.084 0.537 0.175) 0.571 20.112 ( 0.206 4.583 0.837) 4.663 20.131 ( 0.370 2.680 1.474) 3.081 20.179 ( -1.052 2.931 -1.445) 3.433 20.192 ( -0.278 0.808 -0.456) 0.968 20.300 ( -1.137 -0.170 2.530) 2.779 20.369 ( 0.376 -3.299 -2.949) 4.440 20.419 ( 0.099 -1.984 -0.338) 2.015 24.463 ( 5.047 -0.257 -0.061) 5.054 24.485 ( 7.768 -1.950 -0.865) 8.055 25.450 ( -2.753 -0.102 0.087) 2.756 25.471 ( -2.660 -0.348 -0.230) 2.692 31.779 ( 0.164 -2.221 0.317) 2.250 31.828 ( -0.263 -1.562 -0.409) 1.636 31.838 ( -0.290 -1.616 0.244) 1.660 31.860 ( -0.659 -1.581 -0.131) 1.718 42.095 ( 6.002 10.537 3.130) 12.524 42.471 ( 5.345 6.331 -1.567) 8.432 42.814 ( 2.169 -5.516 2.157) 6.307 43.041 ( 7.893 -5.569 -1.744) 9.816 43.447 ( -2.592 4.697 0.622) 5.401 43.976 ( -6.379 22.244 -5.359) 23.753 45.615 ( -24.909 -6.234 4.976) 26.155 45.660 ( -27.831 -3.358 6.812) 28.848 ======================= Grid point 119 (43/120) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 18.187 14.911 5.878) 24.242 1.865 ( 14.265 18.432 11.316) 25.909 2.627 ( 0.641 7.003 -7.803) 10.504 2.877 ( -2.555 16.075 2.209) 16.426 2.961 ( 9.858 24.653 8.761) 27.959 3.100 ( 2.526 12.170 -14.800) 19.327 3.240 ( -12.944 5.734 1.708) 14.260 3.387 ( -9.993 0.082 -2.114) 10.215 3.652 ( -3.678 9.351 -3.519) 10.646 4.096 ( 10.785 -4.159 4.216) 12.304 4.420 ( 1.682 2.840 -3.869) 5.086 4.449 ( -0.425 5.236 0.774) 5.310 4.560 ( -1.813 -2.782 -2.997) 4.473 4.765 ( 9.051 1.190 0.353) 9.135 4.857 ( 9.140 -5.369 1.284) 10.678 4.972 ( 1.549 2.314 -10.260) 10.631 5.074 ( 3.318 -2.212 3.962) 5.622 5.143 ( 4.877 -3.164 3.107) 6.591 5.226 ( 1.406 1.309 2.269) 2.973 5.438 ( 5.278 -1.496 -3.374) 6.441 5.555 ( 1.950 -1.688 4.592) 5.267 5.642 ( 4.042 15.625 0.368) 16.144 5.759 ( 4.464 12.316 1.382) 13.173 5.877 ( 7.191 5.664 1.490) 9.274 5.970 ( 6.946 8.086 0.585) 10.676 6.165 ( 5.022 11.088 1.995) 12.335 6.254 ( -3.837 7.255 -3.288) 8.841 6.508 ( -4.452 1.841 1.121) 4.946 6.665 ( -3.541 -0.544 1.435) 3.859 6.912 ( -8.777 1.051 1.598) 8.983 6.947 ( -7.115 -3.871 1.006) 8.162 7.346 ( -8.318 -1.516 0.194) 8.458 7.405 ( -1.182 -1.619 4.085) 4.551 7.682 ( -3.132 -3.873 -1.289) 5.145 7.774 ( -1.218 -3.530 -2.699) 4.608 8.099 ( -11.554 -7.303 -5.173) 14.615 20.080 ( 0.269 1.401 -0.282) 1.454 20.118 ( 0.372 3.534 0.886) 3.663 20.139 ( 0.036 1.918 1.257) 2.293 20.157 ( -0.585 3.226 -0.780) 3.370 20.185 ( -0.343 1.001 -0.261) 1.090 20.273 ( -1.322 0.150 2.165) 2.541 20.380 ( 0.672 -2.907 -2.762) 4.066 20.420 ( 0.005 -1.752 -0.695) 1.885 24.611 ( 8.765 -0.244 0.023) 8.769 24.679 ( 10.036 -3.520 -1.719) 10.774 25.365 ( -5.306 -0.197 0.029) 5.310 25.387 ( -5.334 -0.459 -0.298) 5.362 31.784 ( 0.239 -2.165 0.170) 2.184 31.815 ( -0.736 -1.512 -0.265) 1.702 31.836 ( 0.085 -1.880 -0.105) 1.885 31.848 ( -0.405 -1.500 -0.161) 1.562 42.280 ( 11.446 12.477 2.531) 17.120 42.633 ( 9.787 8.100 -2.234) 12.899 42.890 ( 5.198 -3.475 4.085) 7.469 43.231 ( 5.435 -0.858 -5.329) 7.660 43.411 ( 3.472 -1.067 2.374) 4.339 43.790 ( -10.616 19.281 -3.790) 22.334 44.726 ( -41.832 23.379 16.005) 50.524 45.278 ( -21.208 -17.748 1.065) 27.675 ======================= Grid point 120 (44/120) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 18.796 11.365 2.976) 22.166 2.178 ( 14.722 13.387 7.517) 21.271 2.593 ( -4.280 4.802 -1.537) 6.613 2.780 ( -1.526 8.777 -4.347) 9.913 2.872 ( -17.060 8.297 0.840) 18.989 3.099 ( -10.920 3.916 -3.005) 11.984 3.273 ( 6.784 14.583 -8.047) 17.985 3.357 ( 18.785 21.430 3.396) 28.699 3.557 ( -5.012 13.908 -5.218) 15.678 4.197 ( -13.118 3.105 -0.688) 13.498 4.359 ( 7.622 -6.415 4.962) 11.130 4.465 ( 1.880 2.693 -3.401) 4.728 4.574 ( 1.087 6.620 1.143) 6.805 4.810 ( -5.987 -2.260 -9.361) 11.340 5.002 ( 9.128 -1.108 2.228) 9.461 5.118 ( 3.345 -1.518 0.671) 3.734 5.165 ( 4.301 0.560 6.008) 7.411 5.246 ( 0.270 1.170 5.977) 6.096 5.342 ( 16.135 -2.897 2.937) 16.654 5.545 ( 4.786 -0.920 -1.068) 4.989 5.587 ( 1.058 -1.801 3.469) 4.050 5.724 ( 3.591 13.850 -1.286) 14.365 5.851 ( 3.858 13.522 2.239) 14.239 5.983 ( 3.708 11.506 1.343) 12.163 6.106 ( 5.280 7.211 1.053) 8.999 6.168 ( -3.084 2.569 -4.465) 6.004 6.262 ( -12.228 -0.729 1.394) 12.329 6.332 ( 6.500 11.113 1.126) 12.923 6.629 ( -10.316 -4.104 -1.416) 11.192 6.724 ( -4.597 6.025 2.090) 7.862 6.824 ( -0.636 1.828 1.623) 2.526 7.153 ( -9.536 -0.763 0.324) 9.572 7.420 ( 2.359 -4.079 3.364) 5.789 7.596 ( -4.838 -4.447 -0.612) 6.600 7.757 ( -0.016 -7.792 -4.986) 9.251 7.896 ( -7.386 -9.194 -5.280) 12.921 20.088 ( 0.518 1.918 -0.603) 2.076 20.120 ( -0.763 2.066 -0.286) 2.221 20.132 ( 0.344 2.904 0.344) 2.944 20.156 ( -0.272 2.252 0.335) 2.293 20.188 ( 0.844 1.127 0.948) 1.698 20.245 ( -1.432 0.467 1.937) 2.454 20.395 ( 0.749 -2.374 -2.370) 3.438 20.418 ( -0.247 -1.681 -1.223) 2.093 24.817 ( 10.424 -0.216 0.047) 10.426 24.889 ( 9.729 -3.027 -1.506) 10.300 25.226 ( -7.981 -0.222 -0.032) 7.984 25.252 ( -7.307 -0.950 -0.487) 7.384 31.789 ( 0.251 -2.091 -0.093) 2.108 31.802 ( -0.459 -1.821 -0.344) 1.909 31.838 ( 0.091 -1.806 -0.176) 1.816 31.843 ( -0.168 -1.552 -0.152) 1.569 42.564 ( 15.092 14.856 0.662) 21.187 42.857 ( 10.229 8.531 -3.577) 13.792 43.037 ( 8.437 4.366 6.248) 11.371 43.170 ( -5.868 6.496 -3.987) 9.619 43.473 ( -9.957 10.783 1.409) 14.744 43.772 ( 17.487 -6.665 -1.621) 18.784 43.961 ( -30.325 20.288 16.112) 39.885 44.780 ( -25.354 -15.020 -1.264) 29.496 ======================= Grid point 121 (45/120) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -7.938 6.506 3.841) 10.959 2.418 ( 7.938 6.506 3.841) 10.959 2.504 ( -13.866 11.812 1.474) 18.274 2.504 ( 13.866 11.812 1.474) 18.274 2.869 ( -8.900 5.456 -4.210) 11.256 2.869 ( 8.900 5.456 -4.210) 11.256 3.414 ( -6.764 15.149 -10.094) 19.420 3.414 ( 6.764 15.149 -10.094) 19.420 3.813 ( -20.827 13.597 4.394) 25.258 3.813 ( 20.827 13.597 4.394) 25.258 4.485 ( -1.074 -1.703 -0.515) 2.078 4.485 ( 1.074 -1.703 -0.515) 2.078 4.651 ( -7.556 0.138 -2.260) 7.888 4.651 ( 7.556 0.138 -2.260) 7.888 5.130 ( -2.418 -1.587 1.080) 3.087 5.130 ( 2.418 -1.587 1.080) 3.087 5.225 ( -2.119 1.458 7.860) 8.270 5.225 ( 2.119 1.458 7.860) 8.270 5.579 ( -2.535 -0.422 1.398) 2.926 5.579 ( 2.535 -0.422 1.398) 2.926 5.711 ( -8.875 4.409 -0.251) 9.913 5.711 ( 8.875 4.409 -0.251) 9.913 5.935 ( -6.995 7.906 1.749) 10.701 5.935 ( 6.995 7.906 1.749) 10.701 6.085 ( -3.441 11.213 0.476) 11.739 6.085 ( 3.441 11.213 0.476) 11.739 6.333 ( -11.544 -2.646 -3.930) 12.479 6.333 ( 11.544 -2.646 -3.930) 12.479 6.548 ( -8.892 9.416 3.574) 13.435 6.548 ( 8.892 9.416 3.574) 13.435 6.956 ( -8.898 0.238 0.693) 8.928 6.956 ( 8.898 0.238 0.693) 8.928 7.494 ( -4.489 -4.792 1.216) 6.678 7.494 ( 4.489 -4.792 1.216) 6.678 7.787 ( -3.129 -10.159 -5.909) 12.162 7.787 ( 3.129 -10.159 -5.909) 12.162 20.102 ( -0.786 2.052 -0.683) 2.301 20.102 ( 0.786 2.052 -0.683) 2.301 20.144 ( -0.667 2.386 0.230) 2.488 20.144 ( 0.667 2.386 0.230) 2.488 20.214 ( -1.449 0.817 1.719) 2.392 20.214 ( 1.449 0.817 1.719) 2.392 20.409 ( -0.562 -1.906 -1.818) 2.693 20.409 ( 0.562 -1.906 -1.818) 2.693 25.034 ( -9.927 -0.196 -0.024) 9.929 25.034 ( 9.927 -0.196 -0.024) 9.929 25.084 ( -8.606 -1.898 -0.913) 8.860 25.084 ( 8.606 -1.898 -0.913) 8.860 31.795 ( -0.291 -1.996 -0.305) 2.040 31.795 ( 0.291 -1.996 -0.305) 2.040 31.840 ( -0.092 -1.682 -0.155) 1.692 31.840 ( 0.092 -1.682 -0.155) 1.692 42.869 ( -11.672 12.909 -3.069) 17.672 42.869 ( 11.672 12.909 -3.069) 17.672 43.138 ( -6.648 12.108 -1.861) 13.938 43.138 ( 6.648 12.108 -1.861) 13.938 43.449 ( -16.243 8.693 13.722) 22.972 43.449 ( 16.243 8.693 13.722) 22.972 44.245 ( -24.858 -11.937 -2.301) 27.671 44.245 ( 24.858 -11.937 -2.301) 27.671 ======================= Grid point 126 (46/120) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 22.539 9.799) 24.577 2.007 ( 0.000 25.273 8.566) 26.685 2.792 ( 0.000 3.408 -8.497) 9.155 3.065 ( 0.000 3.437 -10.261) 10.821 3.179 ( 0.000 3.569 -0.814) 3.661 3.442 ( 0.000 31.013 3.501) 31.210 3.632 ( 0.000 -5.498 0.715) 5.544 3.708 ( 0.000 -6.071 -6.518) 8.908 3.745 ( 0.000 9.862 4.166) 10.705 3.783 ( 0.000 3.302 0.077) 3.303 4.196 ( 0.000 -5.136 -7.994) 9.502 4.443 ( 0.000 -2.026 -0.753) 2.162 4.458 ( 0.000 2.963 4.081) 5.044 4.563 ( 0.000 -6.156 0.370) 6.167 4.724 ( 0.000 7.089 -2.159) 7.410 4.939 ( 0.000 -1.192 -3.240) 3.453 4.985 ( 0.000 -1.279 4.563) 4.739 5.054 ( 0.000 0.345 6.972) 6.981 5.145 ( 0.000 2.489 -12.028) 12.283 5.197 ( 0.000 -1.695 5.619) 5.869 5.368 ( 0.000 -0.279 -5.710) 5.717 5.541 ( 0.000 -4.223 2.475) 4.895 5.863 ( 0.000 9.984 0.417) 9.992 6.052 ( 0.000 22.103 3.417) 22.365 6.175 ( 0.000 5.773 -4.671) 7.426 6.268 ( 0.000 14.369 1.191) 14.418 6.552 ( 0.000 1.353 7.559) 7.680 6.585 ( 0.000 13.548 3.262) 13.935 6.768 ( 0.000 -4.789 4.322) 6.451 6.957 ( 0.000 -0.989 5.271) 5.363 7.077 ( 0.000 -4.183 -4.815) 6.378 7.508 ( 0.000 -4.806 0.411) 4.823 7.550 ( 0.000 5.668 0.557) 5.695 7.674 ( 0.000 -0.982 1.599) 1.876 7.829 ( 0.000 0.976 -1.304) 1.629 8.235 ( 0.000 -12.638 -10.258) 16.277 20.078 ( 0.000 0.363 -1.868) 1.903 20.179 ( 0.000 -0.948 -1.079) 1.436 20.189 ( 0.000 3.087 1.770) 3.558 20.206 ( 0.000 2.644 0.921) 2.800 20.234 ( 0.000 1.552 -0.604) 1.666 20.322 ( 0.000 -0.356 -2.187) 2.216 20.322 ( 0.000 1.155 2.630) 2.873 20.383 ( 0.000 -1.450 0.128) 1.455 24.393 ( 0.000 -0.061 0.081) 0.102 24.403 ( 0.000 -0.290 -0.079) 0.301 25.478 ( 0.000 -0.032 0.065) 0.072 25.492 ( 0.000 -0.351 -0.142) 0.378 31.739 ( 0.000 -1.580 0.506) 1.659 31.791 ( 0.000 -2.006 -0.213) 2.018 31.815 ( 0.000 -1.312 0.229) 1.332 31.835 ( 0.000 -1.732 -0.101) 1.735 42.233 ( 0.000 10.124 3.084) 10.584 42.510 ( 0.000 3.620 0.129) 3.622 42.692 ( 0.000 -3.966 1.658) 4.298 42.843 ( 0.000 -5.763 0.917) 5.836 43.596 ( 0.000 7.940 -2.316) 8.271 44.439 ( 0.000 13.549 -15.924) 20.908 45.390 ( 0.000 -13.905 13.390) 19.304 46.032 ( 0.000 -6.054 0.120) 6.056 ======================= Grid point 127 (47/120) ======================= q-point: ( 0.12 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 10.431 20.254 8.053) 24.164 2.072 ( 6.018 23.765 7.686) 25.692 2.770 ( -1.860 3.403 -7.637) 8.565 3.102 ( 1.645 5.390 -7.668) 9.516 3.161 ( 0.094 3.775 -4.439) 5.828 3.456 ( 0.315 22.614 1.545) 22.669 3.537 ( -7.599 -2.366 0.355) 7.967 3.647 ( -6.470 15.391 2.711) 16.914 3.731 ( 0.733 -4.284 -4.914) 6.560 3.840 ( 5.699 -0.742 2.709) 6.353 4.319 ( 9.422 -5.716 -5.503) 12.318 4.442 ( 0.116 -0.729 0.146) 0.753 4.544 ( 4.579 -1.721 1.523) 5.123 4.570 ( 4.546 3.349 0.439) 5.664 4.735 ( 2.336 6.271 1.451) 6.848 4.965 ( 2.224 -1.764 -1.592) 3.254 5.024 ( 2.423 -1.531 2.703) 3.940 5.103 ( -0.564 5.439 -2.915) 6.197 5.159 ( 3.018 -3.172 -5.162) 6.769 5.255 ( 5.250 -2.509 4.458) 7.330 5.442 ( 6.500 -0.726 -4.001) 7.667 5.541 ( 1.854 -6.442 3.357) 7.497 5.887 ( 2.211 9.510 0.636) 9.784 6.066 ( 1.355 21.301 3.200) 21.582 6.188 ( 1.417 4.832 -4.323) 6.637 6.267 ( -0.100 14.656 0.851) 14.681 6.540 ( -1.159 5.894 4.354) 7.418 6.592 ( 0.658 9.728 5.167) 11.035 6.735 ( -3.567 -3.134 2.866) 5.546 6.934 ( -1.736 -2.075 5.672) 6.284 7.020 ( -5.137 -3.676 -4.338) 7.663 7.451 ( -5.028 -3.746 0.636) 6.302 7.513 ( -3.407 5.282 0.347) 6.296 7.663 ( -1.322 -1.863 1.211) 2.586 7.799 ( -2.770 0.225 -1.396) 3.110 8.150 ( -7.642 -11.104 -9.262) 16.355 20.081 ( 0.276 0.350 -1.795) 1.850 20.177 ( -0.125 0.049 -0.597) 0.612 20.194 ( 0.233 2.073 0.976) 2.303 20.198 ( -0.700 2.041 0.676) 2.261 20.231 ( -0.292 2.310 -0.206) 2.338 20.312 ( -0.828 1.355 2.640) 3.081 20.327 ( 0.493 -0.390 -2.087) 2.180 20.386 ( 0.274 -1.347 0.087) 1.378 24.457 ( 5.095 -0.298 -0.056) 5.104 24.460 ( 6.067 -0.728 -0.162) 6.113 25.449 ( -2.801 -0.042 0.066) 2.802 25.464 ( -2.696 -0.370 -0.166) 2.727 31.741 ( 0.206 -1.555 0.488) 1.643 31.793 ( 0.125 -1.934 -0.257) 1.955 31.808 ( -0.610 -1.292 0.242) 1.449 31.828 ( -0.528 -1.628 -0.094) 1.714 42.309 ( 7.188 10.697 2.912) 13.212 42.579 ( 6.418 4.080 -0.111) 7.606 42.727 ( 3.527 -3.154 2.354) 5.285 42.919 ( 7.105 -6.461 0.176) 9.605 43.558 ( -3.526 7.466 -2.096) 8.519 44.359 ( -7.451 13.444 -14.754) 21.306 45.270 ( -11.168 -13.758 11.998) 21.400 45.741 ( -25.742 0.575 2.367) 25.857 ======================= Grid point 128 (48/120) ======================= q-point: ( 0.25 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 13.850 15.576 5.062) 21.450 2.243 ( 9.763 20.009 5.430) 22.917 2.727 ( -2.022 3.095 -5.615) 6.722 3.044 ( -4.734 7.986 -0.953) 9.333 3.268 ( 5.585 5.645 -11.781) 14.207 3.303 ( -11.316 0.881 0.884) 11.385 3.383 ( -7.758 1.226 -5.361) 9.509 3.636 ( 5.274 27.066 3.390) 27.783 3.747 ( 1.247 4.170 -3.613) 5.657 4.000 ( 8.897 -5.400 6.682) 12.368 4.386 ( -2.632 -5.845 0.799) 6.460 4.550 ( 5.295 5.298 -6.178) 9.710 4.604 ( 6.366 4.959 0.982) 8.129 4.790 ( 7.829 -0.812 7.083) 10.589 4.832 ( 9.219 6.561 -0.743) 11.340 4.999 ( -0.093 -0.240 -6.319) 6.324 5.054 ( 2.760 0.116 0.128) 2.765 5.126 ( 3.998 1.798 3.186) 5.419 5.206 ( 1.520 -2.761 1.011) 3.310 5.361 ( 4.761 -5.726 1.042) 7.519 5.489 ( 0.572 -4.567 2.913) 5.447 5.741 ( 12.049 -6.509 -2.793) 13.977 5.951 ( 3.767 9.159 0.399) 9.911 6.105 ( 2.074 17.940 3.430) 18.382 6.249 ( 4.498 2.416 -3.611) 6.253 6.266 ( 0.103 15.274 0.145) 15.275 6.485 ( -5.663 5.333 0.759) 7.815 6.587 ( -2.991 12.224 4.366) 13.320 6.643 ( -2.044 -2.288 2.769) 4.133 6.853 ( -6.894 -2.682 -3.406) 8.143 6.931 ( -1.527 -0.384 4.665) 4.924 7.314 ( -7.607 -2.044 0.885) 7.927 7.423 ( -4.419 3.338 0.134) 5.539 7.611 ( -3.651 -2.852 0.545) 4.665 7.720 ( -4.509 -1.906 -1.956) 5.272 7.946 ( -10.847 -8.370 -6.932) 15.354 20.090 ( 0.625 0.369 -1.673) 1.824 20.173 ( -0.676 0.321 -0.937) 1.199 20.179 ( -0.518 1.929 0.289) 2.019 20.198 ( -0.018 0.801 -0.066) 0.804 20.226 ( -0.019 3.595 1.275) 3.814 20.292 ( -0.987 1.732 2.636) 3.305 20.342 ( 0.897 -0.538 -1.856) 2.131 20.392 ( 0.176 -1.136 -0.111) 1.155 24.606 ( 8.791 -0.252 -0.011) 8.795 24.630 ( 9.523 -1.690 -0.514) 9.685 25.362 ( -5.422 -0.124 0.035) 5.424 25.378 ( -5.489 -0.431 -0.204) 5.510 31.746 ( 0.312 -1.488 0.421) 1.578 31.788 ( -0.820 -1.160 0.045) 1.422 31.799 ( 0.105 -1.885 -0.098) 1.890 31.818 ( -0.383 -1.549 -0.140) 1.602 42.528 ( 13.334 12.113 1.935) 18.118 42.756 ( 9.294 3.032 -0.927) 9.820 42.862 ( 10.407 1.420 4.339) 11.365 43.131 ( 12.557 -7.487 -1.643) 14.712 43.456 ( -5.624 5.640 -1.100) 8.041 44.137 ( -13.340 13.053 -11.490) 21.917 44.941 ( -19.478 -13.236 8.429) 25.012 45.067 ( -35.708 10.629 5.874) 37.716 ======================= Grid point 129 (49/120) ======================= q-point: ( 0.38 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 14.568 10.119 3.525) 18.085 2.454 ( 9.299 14.988 2.956) 17.885 2.694 ( -0.926 4.327 -2.992) 5.341 2.951 ( -4.243 6.229 -1.143) 7.623 2.998 ( -13.575 6.605 1.263) 15.149 3.174 ( -9.887 4.566 -4.658) 11.844 3.467 ( 8.818 5.623 -16.007) 19.121 3.700 ( -1.054 3.090 -11.067) 11.539 3.862 ( 10.209 23.328 6.320) 26.237 4.193 ( 8.189 -5.172 6.706) 11.781 4.294 ( -4.970 1.461 4.736) 7.019 4.581 ( -2.305 8.778 -3.092) 9.588 4.694 ( 0.927 4.381 2.948) 5.362 4.802 ( -4.269 3.158 -0.138) 5.311 4.980 ( 7.504 -0.703 0.550) 7.557 5.093 ( 3.386 -0.776 0.448) 3.503 5.188 ( 4.238 1.221 5.117) 6.756 5.214 ( 1.780 -3.200 5.206) 6.365 5.317 ( 15.968 -0.182 0.021) 15.969 5.462 ( 5.123 -6.598 -0.069) 8.353 5.512 ( 1.240 -4.792 1.956) 5.322 5.940 ( 5.964 -1.256 -3.355) 6.957 6.042 ( 4.320 5.348 -2.978) 7.492 6.121 ( -1.861 8.519 5.216) 10.161 6.243 ( -4.693 9.961 0.191) 11.013 6.298 ( -4.345 6.422 -1.630) 7.923 6.350 ( 1.899 7.600 -1.166) 7.920 6.520 ( -9.183 -1.699 -2.102) 9.572 6.596 ( 3.496 11.164 2.765) 12.021 6.807 ( 2.393 2.909 0.167) 3.771 6.888 ( -2.495 4.013 2.916) 5.552 7.143 ( -8.460 -0.361 0.911) 8.516 7.365 ( -0.325 -0.925 0.542) 1.120 7.516 ( -5.194 -3.339 0.088) 6.176 7.630 ( -3.265 -4.616 -3.079) 6.438 7.735 ( -8.418 -7.065 -4.534) 11.889 20.107 ( 0.900 0.517 -1.620) 1.924 20.150 ( -1.147 0.938 -1.153) 1.878 20.177 ( 0.122 1.138 -0.275) 1.177 20.192 ( -0.457 0.738 -0.608) 1.060 20.233 ( 0.667 3.541 2.336) 4.294 20.271 ( -0.993 2.217 2.599) 3.558 20.362 ( 1.006 -0.706 -1.454) 1.904 20.392 ( -0.241 -0.960 -0.478) 1.099 24.812 ( 10.449 -0.222 -0.004) 10.452 24.842 ( 10.313 -1.787 -0.576) 10.483 25.221 ( -7.964 -0.234 -0.028) 7.968 25.236 ( -7.895 -0.675 -0.262) 7.928 31.753 ( 0.335 -1.396 0.313) 1.470 31.772 ( -0.648 -1.177 0.184) 1.356 31.803 ( 0.206 -1.796 -0.255) 1.825 31.811 ( -0.245 -1.588 -0.206) 1.620 42.829 ( 13.253 10.172 -1.838) 16.807 42.970 ( 12.430 5.404 1.324) 13.618 43.170 ( 16.517 6.604 4.454) 18.337 43.276 ( -2.275 6.140 -3.461) 7.406 43.486 ( 11.772 -7.953 1.031) 14.244 43.834 ( -12.752 10.021 -6.479) 17.465 44.324 ( -33.488 14.816 7.070) 37.295 44.486 ( -23.114 -12.925 4.277) 26.825 ======================= Grid point 130 (50/120) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -5.194 6.483 3.297) 8.938 2.545 ( 5.194 6.483 3.297) 8.938 2.716 ( -6.776 8.945 -0.674) 11.241 2.716 ( 6.776 8.945 -0.674) 11.241 2.990 ( -6.206 7.347 -3.493) 10.232 2.990 ( 6.206 7.347 -3.493) 10.232 3.626 ( -5.812 5.027 -15.195) 17.027 3.626 ( 5.812 5.027 -15.195) 17.027 4.091 ( -10.404 13.506 4.050) 17.523 4.091 ( 10.404 13.506 4.050) 17.523 4.428 ( -10.118 -2.401 6.992) 12.531 4.428 ( 10.118 -2.401 6.992) 12.531 4.730 ( -2.687 7.112 -0.210) 7.605 4.730 ( 2.687 7.112 -0.210) 7.605 5.098 ( -2.884 -1.270 -0.032) 3.151 5.098 ( 2.884 -1.270 -0.032) 3.151 5.228 ( -0.377 -1.029 6.642) 6.731 5.228 ( 0.377 -1.029 6.642) 6.731 5.505 ( -1.915 -6.120 1.496) 6.585 5.505 ( 1.915 -6.120 1.496) 6.585 5.753 ( -18.519 1.467 -1.056) 18.607 5.753 ( 18.519 1.467 -1.056) 18.607 6.144 ( -3.906 5.579 1.442) 6.961 6.144 ( 3.906 5.579 1.442) 6.961 6.210 ( -6.669 1.436 -4.085) 7.951 6.210 ( 6.669 1.436 -4.085) 7.951 6.370 ( -2.026 9.504 -0.234) 9.720 6.370 ( 2.026 9.504 -0.234) 9.720 6.732 ( -7.217 8.791 1.744) 11.507 6.732 ( 7.217 8.791 1.744) 11.507 6.970 ( -7.697 1.181 0.639) 7.813 6.970 ( 7.697 1.181 0.639) 7.813 7.411 ( -4.167 -3.245 0.444) 5.300 7.411 ( 4.167 -3.245 0.444) 5.300 7.617 ( -2.474 -6.552 -3.631) 7.888 7.617 ( 2.474 -6.552 -3.631) 7.888 20.127 ( -1.044 0.767 -1.514) 1.992 20.127 ( 1.044 0.767 -1.514) 1.992 20.183 ( -0.385 0.966 -0.440) 1.129 20.183 ( 0.385 0.966 -0.440) 1.129 20.251 ( -0.944 2.861 2.533) 3.937 20.251 ( 0.944 2.861 2.533) 3.937 20.381 ( -0.728 -0.836 -0.955) 1.463 20.381 ( 0.728 -0.836 -0.955) 1.463 25.030 ( -9.808 -0.216 -0.056) 9.811 25.030 ( 9.808 -0.216 -0.056) 9.811 25.052 ( -9.311 -1.265 -0.395) 9.405 25.052 ( 9.311 -1.265 -0.395) 9.405 31.761 ( -0.408 -1.293 0.228) 1.375 31.761 ( 0.408 -1.293 0.228) 1.375 31.807 ( -0.192 -1.679 -0.254) 1.709 31.807 ( 0.192 -1.679 -0.254) 1.709 43.047 ( -7.879 6.007 -3.013) 10.355 43.047 ( 7.879 6.007 -3.013) 10.355 43.366 ( -16.079 10.058 -0.542) 18.973 43.366 ( 16.079 10.058 -0.542) 18.973 43.665 ( -25.150 10.964 5.882) 28.059 43.665 ( 25.150 10.964 5.882) 28.059 44.014 ( -19.781 -9.920 0.908) 22.148 44.014 ( 19.781 -9.920 0.908) 22.148 ======================= Grid point 135 (51/120) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 21.186 6.984) 22.308 2.474 ( 0.000 20.177 0.364) 20.180 2.741 ( 0.000 -6.620 2.378) 7.034 3.105 ( 0.000 -0.721 -7.051) 7.087 3.305 ( 0.000 8.056 -7.804) 11.216 3.515 ( 0.000 -11.403 -6.718) 13.235 3.562 ( 0.000 -0.385 -3.223) 3.245 3.667 ( 0.000 3.263 -1.313) 3.518 3.784 ( 0.000 -2.380 -2.150) 3.207 3.990 ( 0.000 -14.232 -8.588) 16.623 4.134 ( 0.000 16.254 7.078) 17.728 4.365 ( 0.000 -3.666 6.577) 7.530 4.577 ( 0.000 10.767 5.214) 11.963 4.614 ( 0.000 6.892 -4.389) 8.171 4.856 ( 0.000 5.858 -1.072) 5.955 4.920 ( 0.000 -1.585 -2.491) 2.952 4.923 ( 0.000 -3.810 2.874) 4.773 5.111 ( 0.000 5.253 4.335) 6.811 5.180 ( 0.000 1.641 4.612) 4.895 5.186 ( 0.000 -0.481 -2.941) 2.980 5.307 ( 0.000 -6.256 -1.497) 6.433 5.433 ( 0.000 -6.372 4.060) 7.556 6.033 ( 0.000 7.254 -2.264) 7.599 6.203 ( 0.000 -1.057 -5.770) 5.866 6.407 ( 0.000 12.405 3.473) 12.882 6.493 ( 0.000 5.205 3.295) 6.160 6.576 ( 0.000 1.967 6.437) 6.731 6.652 ( 0.000 -0.697 1.239) 1.422 6.902 ( 0.000 9.704 1.077) 9.763 7.001 ( 0.000 8.172 3.640) 8.946 7.013 ( 0.000 -2.313 -4.365) 4.940 7.403 ( 0.000 -6.055 3.276) 6.885 7.626 ( 0.000 2.884 -2.383) 3.741 7.718 ( 0.000 4.651 1.513) 4.890 7.832 ( 0.000 -0.980 -1.093) 1.468 7.973 ( 0.000 -13.466 -9.245) 16.334 20.090 ( 0.000 0.798 -2.584) 2.705 20.141 ( 0.000 -2.001 -1.782) 2.680 20.226 ( 0.000 0.718 -0.263) 0.764 20.237 ( 0.000 0.385 -0.089) 0.395 20.276 ( 0.000 2.750 1.464) 3.116 20.337 ( 0.000 0.946 -0.328) 1.001 20.347 ( 0.000 1.141 2.300) 2.567 20.360 ( 0.000 -0.814 0.982) 1.275 24.392 ( 0.000 0.028 0.043) 0.052 24.398 ( 0.000 -0.245 -0.041) 0.248 25.479 ( 0.000 0.060 0.026) 0.066 25.485 ( 0.000 -0.288 -0.080) 0.299 31.720 ( 0.000 -0.285 0.519) 0.592 31.754 ( 0.000 -1.721 0.061) 1.722 31.794 ( 0.000 -0.677 0.138) 0.691 31.805 ( 0.000 -1.203 -0.041) 1.204 42.409 ( 0.000 7.378 2.664) 7.844 42.545 ( 0.000 -0.014 0.811) 0.811 42.644 ( 0.000 -0.798 1.964) 2.120 42.739 ( 0.000 -4.689 2.571) 5.347 43.801 ( 0.000 13.069 -7.157) 14.900 44.425 ( 0.000 -13.325 -19.843) 23.902 45.377 ( 0.000 11.128 16.277) 19.717 45.880 ( 0.000 -9.730 3.126) 10.219 ======================= Grid point 136 (52/120) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.891 19.201 5.787) 21.205 2.514 ( 3.669 18.730 -0.394) 19.090 2.742 ( -0.007 -4.063 1.294) 4.264 3.161 ( 5.053 -1.432 -8.605) 10.081 3.268 ( -3.516 6.079 -5.168) 8.719 3.459 ( -4.992 -6.224 -3.430) 8.685 3.557 ( -4.184 -1.124 -5.047) 6.651 3.607 ( -0.694 -0.039 -4.042) 4.102 3.806 ( 2.613 -2.047 0.515) 3.359 4.041 ( 3.731 -4.799 -3.466) 6.997 4.207 ( 5.663 10.071 5.750) 12.906 4.423 ( 6.086 -1.780 4.818) 7.963 4.605 ( 3.342 7.729 -0.100) 8.422 4.691 ( 6.074 9.419 0.951) 11.248 4.865 ( 2.745 3.416 -0.214) 4.387 4.945 ( 2.253 -0.075 -2.298) 3.219 4.985 ( 3.662 -2.110 -0.700) 4.284 5.123 ( 1.192 0.648 2.107) 2.506 5.184 ( 0.708 2.316 1.422) 2.808 5.230 ( 1.931 -0.152 2.955) 3.533 5.362 ( 4.187 -9.727 1.663) 10.720 5.405 ( -0.286 -4.535 1.093) 4.673 6.052 ( 1.833 7.109 -1.920) 7.588 6.211 ( 1.093 -0.765 -5.175) 5.345 6.404 ( -0.354 11.497 3.618) 12.058 6.493 ( -0.012 5.475 2.990) 6.238 6.580 ( 0.101 2.008 4.735) 5.144 6.643 ( -1.315 -0.941 0.934) 1.868 6.885 ( -1.419 8.163 1.097) 8.357 6.951 ( -4.544 2.495 -1.634) 5.435 6.984 ( -2.127 4.944 1.555) 5.603 7.364 ( -3.660 -5.403 3.108) 7.228 7.592 ( -3.149 3.081 -2.619) 5.125 7.685 ( -3.046 3.843 1.664) 5.178 7.793 ( -3.615 -1.210 -0.964) 3.932 7.916 ( -5.187 -12.123 -8.646) 15.768 20.093 ( 0.280 0.824 -2.452) 2.602 20.145 ( 0.317 -1.924 -1.770) 2.634 20.218 ( -0.770 0.516 -0.538) 1.072 20.228 ( -0.708 0.477 -0.221) 0.881 20.282 ( 0.477 2.830 1.643) 3.307 20.340 ( 0.024 1.148 0.532) 1.265 20.343 ( -0.155 1.188 1.584) 1.986 20.365 ( 0.369 -0.916 0.888) 1.328 24.451 ( 5.408 -0.214 -0.021) 5.412 24.453 ( 5.115 -0.221 -0.036) 5.120 25.449 ( -2.808 0.078 0.028) 2.809 25.457 ( -2.733 -0.317 -0.095) 2.753 31.723 ( 0.244 -0.271 0.503) 0.621 31.756 ( 0.222 -1.693 0.036) 1.707 31.789 ( -0.521 -0.624 0.149) 0.826 31.800 ( -0.426 -1.140 -0.031) 1.217 42.493 ( 7.976 7.651 2.542) 11.341 42.620 ( 6.579 0.327 0.382) 6.599 42.695 ( 5.293 -0.306 2.614) 5.911 42.801 ( 5.907 -5.291 2.032) 8.186 43.754 ( -4.412 12.564 -6.810) 14.956 44.354 ( -6.680 -12.663 -18.924) 23.730 45.248 ( -12.082 10.206 15.451) 22.111 45.680 ( -18.264 -6.578 3.685) 19.759 ======================= Grid point 137 (53/120) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 8.954 14.612 3.569) 17.505 2.614 ( 5.436 13.285 -2.195) 14.521 2.742 ( 0.123 2.152 -0.137) 2.160 3.159 ( -6.521 2.091 -1.410) 6.992 3.275 ( -1.157 -2.810 -6.287) 6.983 3.333 ( -0.485 -1.687 -5.084) 5.378 3.434 ( -5.274 5.688 -8.258) 11.329 3.638 ( 1.672 -4.188 -7.436) 8.697 3.914 ( 7.747 -1.721 6.315) 10.142 4.124 ( 4.204 2.161 -0.036) 4.727 4.312 ( 3.632 9.425 7.715) 12.710 4.613 ( 10.233 -0.674 3.641) 10.883 4.712 ( 5.876 7.590 -2.989) 10.054 4.840 ( 7.665 6.111 5.850) 11.416 4.970 ( 2.763 1.773 -1.717) 3.705 4.998 ( 2.551 1.553 -1.899) 3.539 5.045 ( 5.020 -0.657 -4.580) 6.827 5.160 ( 1.779 -0.196 3.135) 3.610 5.194 ( -0.379 4.100 4.386) 6.016 5.243 ( 2.337 -4.876 0.943) 5.489 5.366 ( 0.730 -7.708 4.766) 9.092 5.565 ( 9.885 -10.161 -4.183) 14.781 6.115 ( 4.187 7.197 -0.972) 8.383 6.265 ( 4.233 -0.341 -3.580) 5.554 6.378 ( -3.092 8.282 3.273) 9.427 6.481 ( -2.319 4.530 2.424) 5.637 6.539 ( -4.068 3.452 0.063) 5.335 6.588 ( -3.920 -1.832 0.939) 4.428 6.850 ( -2.969 2.141 -2.124) 4.232 6.856 ( -1.431 8.648 1.241) 8.853 6.953 ( -0.339 5.822 3.795) 6.957 7.259 ( -6.041 -3.922 2.674) 7.683 7.498 ( -5.480 3.744 -2.723) 7.174 7.599 ( -4.973 1.922 1.503) 5.539 7.689 ( -5.925 -1.787 -0.754) 6.234 7.773 ( -7.872 -8.866 -6.967) 13.752 20.102 ( 0.652 0.864 -2.176) 2.431 20.153 ( 0.432 -1.581 -1.731) 2.384 20.196 ( -1.146 0.485 -0.802) 1.480 20.212 ( -0.763 0.080 -0.770) 1.087 20.292 ( 0.460 3.109 1.999) 3.725 20.331 ( -0.534 1.866 2.216) 2.946 20.350 ( 0.496 0.698 0.115) 0.864 20.373 ( 0.340 -0.952 0.711) 1.236 24.602 ( 8.832 -0.152 -0.024) 8.833 24.608 ( 9.109 -0.633 -0.138) 9.132 25.361 ( -5.520 0.056 0.015) 5.520 25.370 ( -5.547 -0.354 -0.117) 5.559 31.729 ( 0.378 -0.231 0.454) 0.634 31.762 ( 0.314 -1.587 -0.030) 1.618 31.774 ( -0.785 -0.440 0.216) 0.926 31.791 ( -0.419 -1.163 -0.047) 1.237 42.728 ( 12.922 7.638 0.995) 15.043 42.783 ( 9.799 1.478 0.466) 9.920 42.905 ( 14.572 1.278 3.744) 15.099 42.985 ( 11.588 -6.656 1.162) 13.414 43.624 ( -7.631 11.194 -5.855) 14.759 44.155 ( -11.869 -10.715 -16.336) 22.860 44.891 ( -21.124 7.747 13.237) 26.105 45.166 ( -29.221 -0.260 4.613) 29.584 ======================= Grid point 138 (54/120) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 9.500 9.392 2.523) 13.595 2.717 ( 4.039 2.527 -2.183) 5.241 2.750 ( -0.103 9.256 -0.314) 9.262 2.992 ( -9.288 -0.490 0.447) 9.312 3.146 ( -3.419 7.189 -0.324) 7.967 3.302 ( -5.813 8.123 -9.342) 13.677 3.483 ( 6.952 -3.954 -16.396) 18.243 3.651 ( -0.685 -5.974 -12.174) 13.578 4.123 ( 11.782 -0.057 11.103) 16.189 4.223 ( 5.157 5.659 3.715) 8.510 4.351 ( 0.105 9.612 8.186) 12.626 4.678 ( -8.428 -1.205 9.367) 12.658 4.815 ( 4.811 9.965 -3.010) 11.468 4.933 ( 0.538 8.169 1.529) 8.328 4.988 ( 4.912 1.664 -0.458) 5.207 5.086 ( 5.175 -0.601 0.827) 5.275 5.154 ( 0.078 -2.691 1.077) 2.900 5.203 ( 1.571 0.491 4.675) 4.956 5.253 ( 6.333 -7.447 -0.378) 9.783 5.378 ( 1.269 -6.981 3.276) 7.815 5.418 ( 14.068 2.754 -2.830) 14.611 5.773 ( 10.432 -11.055 -5.046) 16.016 6.160 ( -10.896 3.941 -1.583) 11.694 6.251 ( 1.657 6.068 2.147) 6.646 6.310 ( -8.408 -2.482 -2.192) 9.037 6.413 ( 3.830 0.907 0.096) 3.937 6.470 ( -3.429 5.649 0.470) 6.625 6.525 ( -0.538 4.219 0.375) 4.270 6.833 ( 0.516 8.705 0.855) 8.763 6.867 ( 2.849 3.476 0.268) 4.503 6.956 ( -0.251 3.542 2.720) 4.473 7.123 ( -6.637 -2.129 1.918) 7.229 7.393 ( -3.449 3.417 -2.079) 5.282 7.486 ( -5.466 0.793 0.494) 5.545 7.570 ( -4.629 -2.426 -0.831) 5.291 7.614 ( -6.529 -5.429 -4.394) 9.561 20.120 ( 0.973 0.873 -1.924) 2.326 20.159 ( -0.181 -0.213 -1.781) 1.803 20.176 ( -0.471 -0.314 -0.985) 1.136 20.196 ( -0.760 -0.382 -1.133) 1.417 20.301 ( 0.424 3.159 2.217) 3.882 20.320 ( -0.477 2.382 2.264) 3.321 20.362 ( 0.571 0.148 0.235) 0.635 20.377 ( -0.018 -0.780 0.551) 0.955 24.809 ( 10.466 -0.115 -0.029) 10.467 24.817 ( 10.464 -0.757 -0.188) 10.493 25.218 ( -8.047 -0.054 -0.021) 8.047 25.225 ( -8.129 -0.401 -0.132) 8.140 31.738 ( 0.408 -0.182 0.384) 0.589 31.758 ( -0.629 -0.218 0.238) 0.707 31.770 ( 0.308 -1.526 -0.035) 1.558 31.783 ( -0.340 -1.289 -0.077) 1.335 42.945 ( 9.759 4.261 -1.403) 10.741 43.099 ( 16.709 3.806 -1.706) 17.222 43.248 ( 12.887 2.298 3.649) 13.589 43.287 ( 16.578 -4.766 2.619) 17.447 43.484 ( -0.016 8.930 -3.241) 9.500 43.879 ( -13.175 -7.169 -12.128) 19.289 44.395 ( -25.188 4.314 10.158) 27.500 44.513 ( -31.631 4.430 4.790) 32.297 ======================= Grid point 139 (55/120) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -7.777 6.175 2.180) 10.167 2.671 ( 7.777 6.175 2.180) 10.167 2.815 ( -6.311 0.945 -0.531) 6.403 2.815 ( 6.311 0.945 -0.531) 6.403 3.178 ( -5.137 11.616 -6.314) 14.184 3.178 ( 5.137 11.616 -6.314) 14.184 3.602 ( -4.048 -6.586 -16.669) 18.375 3.602 ( 4.048 -6.586 -16.669) 18.375 4.308 ( -3.299 8.156 6.530) 10.957 4.308 ( 3.299 8.156 6.530) 10.957 4.415 ( -13.404 0.518 12.302) 18.201 4.415 ( 13.404 0.518 12.302) 18.201 4.901 ( -3.090 9.671 -1.194) 10.223 4.901 ( 3.090 9.671 -1.194) 10.223 5.091 ( -3.567 0.535 -0.814) 3.698 5.091 ( 3.567 0.535 -0.814) 3.698 5.195 ( -2.234 -2.031 4.257) 5.219 5.195 ( 2.234 -2.031 4.257) 5.219 5.353 ( -3.002 -8.952 1.538) 9.567 5.353 ( 3.002 -8.952 1.538) 9.567 5.798 ( -18.946 3.396 -2.079) 19.359 5.798 ( 18.946 3.396 -2.079) 19.359 6.034 ( -13.472 -8.069 -3.929) 16.188 6.034 ( 13.472 -8.069 -3.929) 16.188 6.374 ( -5.488 8.115 1.470) 9.906 6.374 ( 5.488 8.115 1.470) 9.906 6.505 ( -2.257 2.938 -0.007) 3.705 6.505 ( 2.257 2.938 -0.007) 3.705 6.878 ( -3.029 5.812 1.458) 6.714 6.878 ( 3.029 5.812 1.458) 6.714 6.992 ( -5.267 0.396 0.703) 5.328 6.992 ( 5.267 0.396 0.703) 5.328 7.389 ( -2.988 1.558 -0.784) 3.460 7.389 ( 2.988 1.558 -0.784) 3.460 7.528 ( -1.121 -3.305 -1.883) 3.965 7.528 ( 1.121 -3.305 -1.883) 3.965 20.142 ( -1.087 0.836 -1.742) 2.217 20.142 ( 1.087 0.836 -1.742) 2.217 20.181 ( -0.612 -0.811 -1.227) 1.594 20.181 ( 0.612 -0.811 -1.227) 1.594 20.310 ( -0.437 2.862 2.276) 3.683 20.310 ( 0.437 2.862 2.276) 3.683 20.372 ( -0.398 -0.403 0.388) 0.687 20.372 ( 0.398 -0.403 0.388) 0.687 25.027 ( -9.582 -0.106 -0.057) 9.583 25.027 ( 9.582 -0.106 -0.057) 9.583 25.034 ( -9.495 -0.586 -0.145) 9.514 25.034 ( 9.495 -0.586 -0.145) 9.514 31.747 ( -0.463 -0.157 0.316) 0.582 31.747 ( 0.463 -0.157 0.316) 0.582 31.776 ( -0.299 -1.421 -0.081) 1.454 31.776 ( 0.299 -1.421 -0.081) 1.454 43.155 ( -9.616 5.917 -2.495) 11.563 43.155 ( 9.616 5.917 -2.495) 11.563 43.436 ( -10.866 -4.126 -4.124) 12.333 43.436 ( 10.866 -4.126 -4.124) 12.333 43.824 ( -5.165 6.229 3.381) 8.770 43.824 ( 5.165 6.229 3.381) 8.770 43.933 ( -2.280 0.775 4.712) 5.292 43.933 ( 2.280 0.775 4.712) 5.292 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 0.000 -17.041 3.950) 17.492 2.413 ( 0.000 17.041 3.950) 17.492 2.934 ( 0.000 -16.634 -1.926) 16.745 2.934 ( 0.000 16.634 -1.926) 16.745 3.387 ( 0.000 -1.605 -8.156) 8.312 3.387 ( 0.000 1.605 -8.156) 8.312 3.689 ( 0.000 -10.870 -6.212) 12.520 3.689 ( 0.000 10.870 -6.212) 12.520 3.738 ( 0.000 -5.796 -2.064) 6.152 3.738 ( 0.000 5.796 -2.064) 6.152 4.298 ( 0.000 -4.016 5.935) 7.166 4.298 ( 0.000 4.016 5.935) 7.166 4.724 ( 0.000 -0.981 -2.477) 2.664 4.724 ( 0.000 0.981 -2.477) 2.664 4.867 ( 0.000 -0.387 3.021) 3.046 4.867 ( 0.000 0.387 3.021) 3.046 5.051 ( 0.000 -12.173 -0.904) 12.206 5.051 ( 0.000 12.173 -0.904) 12.206 5.196 ( 0.000 -3.880 6.405) 7.489 5.196 ( 0.000 3.880 6.405) 7.489 5.295 ( 0.000 -7.766 1.091) 7.842 5.295 ( 0.000 7.766 1.091) 7.842 6.146 ( 0.000 -4.380 -4.874) 6.553 6.146 ( 0.000 4.380 -4.874) 6.553 6.516 ( 0.000 -1.119 5.411) 5.526 6.516 ( 0.000 1.119 5.411) 5.526 6.639 ( 0.000 -2.504 1.503) 2.921 6.639 ( 0.000 2.504 1.503) 2.921 6.978 ( 0.000 -1.749 -2.916) 3.400 6.978 ( 0.000 1.749 -2.916) 3.400 7.243 ( 0.000 -11.207 4.601) 12.114 7.243 ( 0.000 11.207 4.601) 12.114 7.730 ( 0.000 -8.485 -6.003) 10.394 7.730 ( 0.000 8.485 -6.003) 10.394 7.803 ( 0.000 -3.684 -0.208) 3.690 7.803 ( 0.000 3.684 -0.208) 3.690 20.110 ( 0.000 -1.263 -2.376) 2.691 20.110 ( 0.000 1.263 -2.376) 2.691 20.235 ( 0.000 -0.370 -0.436) 0.572 20.235 ( 0.000 0.370 -0.436) 0.572 20.324 ( 0.000 -1.904 0.728) 2.038 20.324 ( 0.000 1.904 0.728) 2.038 20.359 ( 0.000 -0.002 1.935) 1.935 20.359 ( 0.000 0.002 1.935) 1.935 24.394 ( 0.000 -0.144 0.001) 0.144 24.394 ( 0.000 0.144 0.001) 0.144 25.481 ( 0.000 -0.178 -0.023) 0.180 25.481 ( 0.000 0.178 -0.023) 0.180 31.727 ( 0.000 -0.935 0.346) 0.997 31.727 ( 0.000 0.935 0.346) 0.997 31.790 ( 0.000 -0.282 0.041) 0.285 31.790 ( 0.000 0.282 0.041) 0.285 42.513 ( 0.000 -3.313 1.513) 3.643 42.513 ( 0.000 3.313 1.513) 3.643 42.664 ( 0.000 -2.721 2.820) 3.918 42.664 ( 0.000 2.721 2.820) 3.918 44.101 ( 0.000 -17.061 -12.563) 21.187 44.101 ( 0.000 17.061 -12.563) 21.187 45.647 ( 0.000 -13.807 8.317) 16.119 45.647 ( 0.000 13.807 8.317) 16.119 ======================= Grid point 146 (57/120) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 3.495 -15.086 2.805) 15.738 2.455 ( 3.495 15.086 2.805) 15.738 2.968 ( 2.850 -17.162 -2.876) 17.633 2.968 ( 2.850 17.162 -2.876) 17.633 3.347 ( -3.596 -3.908 -5.564) 7.692 3.347 ( -3.596 3.908 -5.564) 7.692 3.614 ( -3.473 -2.721 -6.825) 8.127 3.614 ( -3.473 2.721 -6.825) 8.127 3.835 ( 5.858 -7.961 -0.437) 9.894 3.835 ( 5.858 7.961 -0.437) 9.894 4.370 ( 6.711 -4.224 5.345) 9.563 4.370 ( 6.711 4.224 5.345) 9.563 4.766 ( 3.848 -6.200 -2.991) 7.886 4.766 ( 3.848 6.200 -2.991) 7.886 4.927 ( 4.784 -4.969 2.129) 7.219 4.927 ( 4.784 4.969 2.129) 7.219 5.042 ( -0.370 -10.572 0.852) 10.613 5.042 ( -0.370 10.572 0.852) 10.613 5.212 ( 0.956 -1.339 6.367) 6.576 5.212 ( 0.956 1.339 6.367) 6.576 5.303 ( 1.174 -5.377 -0.622) 5.539 5.303 ( 1.174 5.377 -0.622) 5.539 6.162 ( 1.647 -4.135 -4.279) 6.174 6.162 ( 1.647 4.135 -4.279) 6.174 6.513 ( -0.453 -1.669 4.913) 5.209 6.513 ( -0.453 1.669 4.913) 5.209 6.633 ( -0.957 -1.790 1.036) 2.279 6.633 ( -0.957 1.790 1.036) 2.279 6.942 ( -2.977 -1.144 -2.553) 4.085 6.942 ( -2.977 1.144 -2.553) 4.085 7.214 ( -2.604 -10.624 4.591) 11.863 7.214 ( -2.604 10.624 4.591) 11.863 7.692 ( -3.507 -7.774 -5.711) 10.264 7.692 ( -3.507 7.774 -5.711) 10.264 7.764 ( -3.608 -3.488 -0.183) 5.021 7.764 ( -3.608 3.488 -0.183) 5.021 20.113 ( 0.344 -1.308 -2.301) 2.669 20.113 ( 0.344 1.308 -2.301) 2.669 20.226 ( -0.783 -0.368 -0.630) 1.070 20.226 ( -0.783 0.368 -0.630) 1.070 20.330 ( 0.543 -1.878 0.877) 2.142 20.330 ( 0.543 1.878 0.877) 2.142 20.358 ( -0.093 -0.216 1.885) 1.899 20.358 ( -0.093 0.216 1.885) 1.899 24.450 ( 5.181 -0.060 -0.013) 5.181 24.450 ( 5.181 0.060 -0.013) 5.181 25.452 ( -2.776 -0.211 -0.028) 2.785 25.452 ( -2.776 0.211 -0.028) 2.785 31.730 ( 0.253 -0.929 0.327) 1.017 31.730 ( 0.253 0.929 0.327) 1.017 31.785 ( -0.424 -0.286 0.054) 0.514 31.785 ( -0.424 0.286 0.054) 0.514 42.597 ( 7.831 -2.953 1.261) 8.464 42.597 ( 7.831 2.953 1.261) 8.464 42.719 ( 5.267 -2.954 2.840) 6.673 42.719 ( 5.267 2.954 2.840) 6.673 44.042 ( -5.452 -16.424 -11.987) 21.052 44.042 ( -5.452 16.424 -11.987) 21.052 45.493 ( -14.315 -12.141 8.132) 20.456 45.493 ( -14.315 12.141 8.132) 20.456 ======================= Grid point 148 (58/120) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 4.363 -10.864 0.886) 11.740 2.540 ( 4.363 10.864 0.886) 11.740 3.017 ( 0.199 -15.281 -4.084) 15.818 3.017 ( 0.199 15.281 -4.084) 15.818 3.269 ( -2.224 -2.456 -3.191) 4.601 3.269 ( -2.224 2.456 -3.191) 4.601 3.560 ( -2.082 -5.408 -8.298) 10.121 3.560 ( -2.082 5.408 -8.298) 10.121 3.978 ( 8.120 -8.109 2.896) 11.836 3.978 ( 8.120 8.109 2.896) 11.836 4.542 ( 7.543 -7.326 6.808) 12.527 4.542 ( 7.543 7.326 6.808) 12.527 4.875 ( 6.254 -8.288 -2.870) 10.772 4.875 ( 6.254 8.288 -2.870) 10.772 4.979 ( 0.272 -4.395 -0.111) 4.405 4.979 ( 0.272 4.395 -0.111) 4.405 5.089 ( 4.081 -4.743 3.136) 6.999 5.089 ( 4.081 4.743 3.136) 6.999 5.226 ( 0.778 -4.722 5.441) 7.247 5.226 ( 0.778 4.722 5.441) 7.247 5.366 ( 5.362 -9.743 -3.506) 11.660 5.366 ( 5.362 9.743 -3.506) 11.660 6.224 ( 4.356 -3.857 -2.797) 6.455 6.224 ( 4.356 3.857 -2.797) 6.455 6.471 ( -5.249 -2.874 2.638) 6.540 6.471 ( -5.249 2.874 2.638) 6.540 6.587 ( -2.603 -0.460 0.783) 2.757 6.587 ( -2.603 0.460 0.783) 2.757 6.891 ( -0.974 -1.312 -1.531) 2.240 6.891 ( -0.974 1.312 -1.531) 2.240 7.142 ( -4.024 -8.524 4.495) 10.443 7.142 ( -4.024 8.524 4.495) 10.443 7.593 ( -5.552 -6.366 -4.687) 9.660 7.593 ( -5.552 6.366 -4.687) 9.660 7.661 ( -5.868 -3.058 -0.313) 6.625 7.661 ( -5.868 3.058 -0.313) 6.625 20.124 ( 0.663 -1.330 -2.114) 2.583 20.124 ( 0.663 1.330 -2.114) 2.583 20.206 ( -1.053 -0.508 -1.013) 1.547 20.206 ( -1.053 0.508 -1.013) 1.547 20.342 ( 0.533 -1.852 1.143) 2.241 20.342 ( 0.533 1.852 1.143) 2.241 20.356 ( -0.075 -0.668 1.765) 1.889 20.356 ( -0.075 0.668 1.765) 1.889 24.601 ( 8.913 -0.108 -0.041) 8.914 24.601 ( 8.913 0.108 -0.041) 8.914 25.364 ( -5.556 -0.233 -0.040) 5.561 25.364 ( -5.556 0.233 -0.040) 5.561 31.737 ( 0.390 -0.912 0.277) 1.030 31.737 ( 0.390 0.912 0.277) 1.030 31.774 ( -0.574 -0.446 0.084) 0.731 31.774 ( -0.574 0.446 0.084) 0.731 42.810 ( 10.913 -1.321 -0.619) 11.010 42.810 ( 10.913 1.321 -0.619) 11.010 42.908 ( 13.867 -0.664 4.083) 14.470 42.908 ( 13.867 0.664 4.083) 14.470 43.881 ( -9.502 -14.612 -10.375) 20.284 43.881 ( -9.502 14.612 -10.375) 20.284 45.076 ( -24.449 -8.273 7.491) 26.876 45.076 ( -24.449 8.273 7.491) 26.876 ======================= Grid point 150 (59/120) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 5.494 -6.760 0.391) 8.719 2.641 ( 5.494 6.760 0.391) 8.719 2.934 ( -7.005 -5.986 -0.177) 9.215 2.934 ( -7.005 5.986 -0.177) 9.215 3.303 ( 4.613 -8.711 -8.811) 13.221 3.303 ( 4.613 8.711 -8.811) 13.221 3.506 ( -3.389 -8.193 -10.647) 13.856 3.506 ( -3.389 8.193 -10.647) 13.856 4.179 ( 10.705 -4.623 7.041) 13.621 4.179 ( 10.705 4.623 7.041) 13.621 4.580 ( -4.571 -8.957 10.128) 14.272 4.580 ( -4.571 8.957 10.128) 14.272 4.993 ( 4.289 -5.400 -3.347) 7.665 4.993 ( 4.289 5.400 -3.347) 7.665 5.047 ( 5.791 -2.361 2.126) 6.605 5.047 ( 5.791 2.361 2.126) 6.605 5.134 ( 0.750 -3.818 -0.660) 3.946 5.134 ( 0.750 3.818 -0.660) 3.946 5.239 ( -0.351 -4.631 4.960) 6.795 5.239 ( -0.351 4.631 4.960) 6.795 5.559 ( 13.194 -9.974 -4.531) 17.149 5.559 ( 13.194 9.974 -4.531) 17.149 6.229 ( -12.999 -3.715 -2.019) 13.670 6.229 ( -12.999 3.715 -2.019) 13.670 6.368 ( 5.240 -4.246 0.293) 6.751 6.368 ( 5.240 4.246 0.293) 6.751 6.553 ( -1.458 -1.601 1.581) 2.681 6.553 ( -1.458 1.601 1.581) 2.681 6.905 ( 1.871 -0.849 -0.739) 2.183 6.905 ( 1.871 0.849 -0.739) 2.183 7.053 ( -4.366 -4.950 3.609) 7.523 7.053 ( -4.366 4.950 3.609) 7.523 7.484 ( -3.983 -5.283 -2.894) 7.221 7.484 ( -3.983 5.283 -2.894) 7.221 7.537 ( -5.399 -2.896 -0.758) 6.174 7.537 ( -5.399 2.896 -0.758) 6.174 20.141 ( 0.902 -1.205 -1.891) 2.417 20.141 ( 0.902 1.205 -1.891) 2.417 20.183 ( -1.083 -0.729 -1.376) 1.896 20.183 ( -1.083 0.729 -1.376) 1.896 20.351 ( 0.279 -1.762 1.360) 2.243 20.351 ( 0.279 1.762 1.360) 2.243 20.355 ( -0.017 -1.175 1.637) 2.015 20.355 ( -0.017 1.175 1.637) 2.015 24.809 ( 10.480 -0.178 -0.063) 10.482 24.809 ( 10.480 0.178 -0.063) 10.482 25.220 ( -8.135 -0.193 -0.055) 8.138 25.220 ( -8.135 0.193 -0.055) 8.138 31.745 ( 0.406 -0.877 0.215) 0.991 31.745 ( 0.406 0.877 0.215) 0.991 31.763 ( -0.497 -0.663 0.119) 0.837 31.763 ( -0.497 0.663 0.119) 0.837 43.044 ( 11.780 -5.808 -2.261) 13.328 43.044 ( 11.780 5.808 -2.261) 13.328 43.271 ( 17.282 -0.490 4.055) 17.758 43.271 ( 17.282 0.490 4.055) 17.758 43.680 ( -6.837 -10.776 -7.222) 14.663 43.680 ( -6.837 10.776 -7.222) 14.663 44.508 ( -28.539 -4.321 6.280) 29.540 44.508 ( -28.539 4.321 6.280) 29.540 ======================= Grid point 152 (60/120) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -7.274 -4.187 0.857) 8.437 2.776 ( 3.637 -2.759 0.857) 4.645 2.776 ( -3.637 2.759 0.857) 4.645 2.776 ( 7.274 4.187 0.857) 8.437 3.414 ( -4.743 -11.568 -11.649) 17.088 3.414 ( 4.120 -11.508 -11.649) 16.885 3.414 ( -4.120 11.508 -11.649) 16.885 3.414 ( 4.743 11.568 -11.649) 17.088 4.407 ( -10.396 -2.206 9.954) 14.562 4.407 ( -10.243 2.019 9.954) 14.425 4.407 ( 10.243 -2.019 9.954) 14.425 4.407 ( 10.396 2.206 9.954) 14.562 5.071 ( -2.516 -5.427 -2.009) 6.310 5.071 ( 2.313 -5.404 -2.009) 6.212 5.071 ( -2.313 5.404 -2.009) 6.212 5.071 ( 2.516 5.427 -2.009) 6.310 5.196 ( -3.618 -4.641 3.082) 6.643 5.196 ( 3.244 -4.572 3.082) 6.397 5.196 ( -3.244 4.572 3.082) 6.397 5.196 ( 3.618 4.641 3.082) 6.643 5.891 ( -17.180 -6.099 -3.186) 18.506 5.891 ( -15.834 5.107 -3.186) 16.939 5.891 ( 15.834 -5.107 -3.186) 16.939 5.891 ( 17.180 6.099 -3.186) 18.506 6.492 ( -4.789 -3.728 0.911) 6.137 6.492 ( 4.704 -3.701 0.911) 6.054 6.492 ( -4.704 3.701 0.911) 6.054 6.492 ( 4.789 3.728 0.911) 6.137 6.964 ( -3.338 -2.987 1.170) 4.629 6.964 ( 0.535 -2.491 1.170) 2.804 6.964 ( -0.535 2.491 1.170) 2.804 6.964 ( 3.338 2.987 1.170) 4.629 7.457 ( -1.550 -4.174 -1.368) 4.658 7.457 ( 1.458 -4.166 -1.368) 4.621 7.457 ( -1.458 4.166 -1.368) 4.621 7.457 ( 1.550 4.174 -1.368) 4.658 20.161 ( -0.978 -1.085 -1.658) 2.210 20.161 ( 0.692 -1.028 -1.658) 2.070 20.161 ( -0.692 1.028 -1.658) 2.070 20.161 ( 0.978 1.085 -1.658) 2.210 20.355 ( -0.069 -1.549 1.512) 2.166 20.355 ( 0.069 -1.549 1.512) 2.166 20.355 ( -0.069 1.550 1.512) 2.166 20.355 ( 0.069 1.550 1.512) 2.166 25.027 ( -10.011 -0.163 -0.066) 10.013 25.027 ( -10.011 0.162 -0.066) 10.013 25.027 ( 10.011 -0.162 -0.066) 10.013 25.027 ( 10.011 0.163 -0.066) 10.013 31.754 ( -0.410 -0.811 0.161) 0.923 31.754 ( 0.407 -0.811 0.161) 0.921 31.754 ( -0.407 0.811 0.161) 0.921 31.754 ( 0.410 0.811 0.161) 0.923 43.293 ( -10.759 -8.066 -3.469) 13.887 43.293 ( 8.874 -7.471 -3.469) 12.107 43.293 ( -8.874 7.471 -3.469) 12.107 43.293 ( 10.759 8.066 -3.469) 13.887 43.924 ( -25.066 -1.778 3.942) 25.436 43.924 ( -24.846 0.652 3.942) 25.166 43.924 ( 24.846 -0.652 3.942) 25.166 43.924 ( 25.066 1.778 3.942) 25.436 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 0.000 25.809) 25.809 1.150 ( 0.000 0.000 28.422) 28.422 2.034 ( 0.000 0.000 -29.570) 29.570 2.178 ( 0.000 0.000 17.302) 17.302 2.255 ( 0.000 0.000 10.651) 10.651 3.488 ( 0.000 0.000 3.964) 3.964 3.512 ( 0.000 0.000 12.449) 12.449 3.519 ( 0.000 0.000 4.367) 4.367 3.639 ( 0.000 0.000 -8.487) 8.487 3.929 ( 0.000 0.000 -1.841) 1.841 3.999 ( 0.000 0.000 -5.580) 5.580 4.181 ( 0.000 0.000 12.693) 12.693 4.272 ( 0.000 0.000 -35.481) 35.481 4.698 ( 0.000 0.000 7.750) 7.750 4.808 ( 0.000 0.000 -15.702) 15.702 4.891 ( 0.000 0.000 -2.091) 2.091 4.934 ( 0.000 0.000 6.169) 6.169 5.063 ( 0.000 0.000 2.582) 2.582 5.131 ( 0.000 0.000 -3.951) 3.951 5.220 ( 0.000 0.000 -4.623) 4.623 5.356 ( 0.000 0.000 1.296) 1.296 5.417 ( 0.000 0.000 -1.607) 1.607 5.510 ( 0.000 0.000 13.836) 13.836 5.606 ( 0.000 0.000 4.073) 4.073 5.705 ( 0.000 0.000 0.927) 0.927 5.812 ( 0.000 0.000 2.001) 2.001 5.847 ( 0.000 0.000 0.402) 0.402 6.066 ( 0.000 0.000 -11.726) 11.726 7.038 ( 0.000 0.000 4.680) 4.680 7.122 ( 0.000 0.000 7.370) 7.370 7.241 ( 0.000 0.000 -4.566) 4.566 7.472 ( 0.000 0.000 -8.846) 8.846 7.731 ( 0.000 0.000 5.466) 5.466 7.797 ( 0.000 0.000 -0.470) 0.470 7.949 ( 0.000 0.000 15.829) 15.829 8.636 ( 0.000 0.000 -13.822) 13.822 19.982 ( 0.000 0.000 0.471) 0.471 19.999 ( 0.000 0.000 -0.342) 0.342 20.111 ( 0.000 0.000 0.990) 0.990 20.155 ( 0.000 0.000 -1.025) 1.025 20.205 ( 0.000 0.000 4.017) 4.017 20.377 ( 0.000 0.000 -3.754) 3.754 20.387 ( 0.000 0.000 1.353) 1.353 20.462 ( 0.000 0.000 -2.157) 2.157 24.400 ( 0.000 0.000 0.235) 0.235 24.411 ( 0.000 0.000 -0.232) 0.232 25.485 ( 0.000 0.000 0.257) 0.257 25.500 ( 0.000 0.000 -0.405) 0.405 31.840 ( 0.000 0.000 0.324) 0.324 31.859 ( 0.000 0.000 -0.580) 0.580 31.883 ( 0.000 0.000 0.520) 0.520 31.902 ( 0.000 0.000 -0.340) 0.340 41.903 ( 0.000 0.000 6.001) 6.001 42.166 ( 0.000 0.000 -6.050) 6.050 43.071 ( 0.000 0.000 1.216) 1.216 43.098 ( 0.000 0.000 -0.059) 0.059 43.210 ( 0.000 0.000 3.032) 3.032 43.340 ( 0.000 0.000 -2.954) 2.954 46.293 ( 0.000 0.000 2.905) 2.905 46.420 ( 0.000 0.000 -2.905) 2.905 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 11.993 0.000 21.586) 24.694 1.295 ( 12.252 0.000 22.706) 25.801 2.074 ( 3.703 0.000 -28.232) 28.474 2.229 ( 1.210 0.000 -22.440) 22.472 2.336 ( 11.569 0.000 47.939) 49.315 3.349 ( -10.574 0.000 4.368) 11.441 3.358 ( -11.722 0.000 11.072) 16.124 3.447 ( -7.123 0.000 1.497) 7.279 3.604 ( -6.109 0.000 -6.533) 8.945 4.025 ( 8.216 0.000 -0.364) 8.225 4.110 ( -1.548 0.000 -12.435) 12.531 4.110 ( 8.858 0.000 -4.659) 10.009 4.376 ( 5.862 0.000 -12.620) 13.915 4.756 ( 5.209 0.000 7.632) 9.240 4.778 ( -3.201 0.000 -11.687) 12.117 4.937 ( 4.217 0.000 -1.402) 4.444 5.005 ( 6.736 0.000 5.816) 8.899 5.089 ( 2.393 0.000 2.367) 3.366 5.185 ( 3.102 0.000 -2.388) 3.914 5.241 ( 2.000 0.000 -4.061) 4.527 5.413 ( 2.101 0.000 1.359) 2.502 5.456 ( 3.871 0.000 -0.736) 3.940 5.524 ( 1.289 0.000 12.544) 12.610 5.725 ( 7.900 0.000 3.249) 8.542 5.806 ( -0.439 0.000 2.130) 2.175 5.842 ( 7.608 0.000 -2.210) 7.923 5.842 ( 8.315 0.000 -2.421) 8.660 6.055 ( -0.872 0.000 -11.431) 11.464 6.971 ( -6.259 0.000 4.642) 7.792 7.076 ( -4.296 0.000 8.076) 9.148 7.172 ( -6.476 0.000 -4.505) 7.889 7.442 ( -2.951 0.000 -8.430) 8.931 7.720 ( -0.808 0.000 4.509) 4.581 7.798 ( -0.202 0.000 0.384) 0.435 7.898 ( -4.389 0.000 12.986) 13.708 8.495 ( -11.838 0.000 -10.046) 15.526 19.986 ( 0.426 0.000 0.506) 0.661 20.006 ( 0.580 0.000 -0.387) 0.698 20.106 ( -0.473 0.000 0.976) 1.085 20.149 ( -0.545 0.000 -1.005) 1.143 20.206 ( 0.079 0.000 4.036) 4.037 20.363 ( -1.897 0.000 1.953) 2.723 20.380 ( 0.228 0.000 -3.800) 3.807 20.453 ( -0.781 0.000 -2.438) 2.560 24.468 ( 5.315 0.000 0.044) 5.315 24.500 ( 8.321 0.000 -2.530) 8.698 25.456 ( -2.724 0.000 0.246) 2.735 25.471 ( -2.681 0.000 -0.450) 2.719 31.838 ( -0.169 0.000 0.165) 0.236 31.852 ( -0.751 0.000 -0.448) 0.875 31.882 ( 0.022 0.000 0.210) 0.211 31.893 ( -0.592 0.000 -0.251) 0.644 41.949 ( 4.292 0.000 5.935) 7.324 42.209 ( 4.026 0.000 -5.993) 7.220 43.095 ( 3.166 0.000 3.082) 4.418 43.155 ( -5.077 0.000 3.257) 6.032 43.196 ( 8.387 0.000 -1.566) 8.532 43.295 ( -4.227 0.000 -3.166) 5.281 45.848 ( -44.271 0.000 19.758) 48.480 46.107 ( -17.805 0.000 -0.263) 17.807 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 17.513 0.000 14.362) 22.649 1.611 ( 17.263 0.000 13.360) 21.828 2.178 ( 5.632 0.000 -24.463) 25.103 2.258 ( 2.609 0.000 -16.499) 16.704 2.701 ( 21.253 0.000 35.853) 41.679 3.078 ( -14.148 0.000 10.229) 17.459 3.091 ( -13.277 0.000 4.976) 14.179 3.258 ( -10.252 0.000 -1.702) 10.393 3.364 ( -15.548 0.000 -6.039) 16.679 4.168 ( 6.102 0.000 -22.407) 23.223 4.223 ( 9.559 0.000 1.106) 9.622 4.310 ( 8.940 0.000 -3.307) 9.532 4.446 ( -1.613 0.000 -3.553) 3.902 4.662 ( -6.367 0.000 -6.615) 9.181 4.902 ( 8.292 0.000 6.983) 10.841 5.053 ( 6.187 0.000 0.685) 6.225 5.160 ( 4.243 0.000 1.586) 4.530 5.183 ( 9.001 0.000 5.320) 10.456 5.248 ( 2.956 0.000 0.895) 3.088 5.299 ( 3.214 0.000 -2.453) 4.043 5.452 ( 2.279 0.000 1.949) 2.999 5.548 ( 5.256 0.000 -1.182) 5.387 5.563 ( 2.336 0.000 8.397) 8.716 5.809 ( 0.951 0.000 2.260) 2.452 5.825 ( -0.751 0.000 -0.516) 0.911 5.929 ( 11.257 0.000 7.714) 13.646 6.043 ( 0.368 0.000 -9.912) 9.919 6.247 ( 18.214 0.000 -9.252) 20.429 6.782 ( -11.536 0.000 4.531) 12.393 6.953 ( -6.913 0.000 9.974) 12.135 6.976 ( -11.995 0.000 -4.322) 12.749 7.343 ( -6.523 0.000 -5.770) 8.709 7.700 ( -1.213 0.000 2.243) 2.550 7.754 ( -4.600 0.000 7.678) 8.951 7.825 ( -0.984 0.000 -1.067) 1.452 8.218 ( -13.012 0.000 -7.279) 14.910 19.999 ( 0.815 0.000 0.588) 1.005 20.023 ( 1.036 0.000 -0.495) 1.148 20.092 ( -0.863 0.000 0.937) 1.274 20.133 ( -1.005 0.000 -0.945) 1.379 20.211 ( 0.497 0.000 3.733) 3.765 20.321 ( -1.896 0.000 2.122) 2.846 20.387 ( 0.389 0.000 -3.674) 3.694 20.433 ( -0.929 0.000 -2.907) 3.052 24.622 ( 8.950 0.000 0.504) 8.965 24.700 ( 10.000 0.000 -4.450) 10.945 25.372 ( -5.320 0.000 0.170) 5.323 25.388 ( -5.211 0.000 -0.575) 5.243 31.831 ( -0.529 0.000 -0.397) 0.662 31.833 ( -0.844 0.000 -0.668) 1.076 31.884 ( 0.034 0.000 0.050) 0.061 31.887 ( 0.085 0.000 -0.158) 0.180 42.080 ( 8.055 0.000 5.726) 9.883 42.331 ( 7.472 0.000 -5.815) 9.468 43.004 ( -9.079 0.000 3.806) 9.845 43.167 ( -7.842 0.000 -3.677) 8.661 43.208 ( 7.561 0.000 6.932) 10.258 43.445 ( 15.330 0.000 -4.086) 15.865 44.917 ( -39.731 0.000 34.999) 52.948 45.613 ( -27.791 0.000 -6.145) 28.463 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 18.395 0.000 7.682) 19.935 2.000 ( 19.180 0.000 6.757) 20.335 2.262 ( 0.067 0.000 -16.225) 16.225 2.368 ( 8.354 0.000 -10.879) 13.716 2.738 ( -15.585 0.000 6.808) 17.007 2.845 ( -7.805 0.000 3.272) 8.463 2.988 ( -17.714 0.000 -4.667) 18.319 3.035 ( -10.521 0.000 -4.463) 11.429 3.229 ( 23.994 0.000 23.342) 33.475 4.190 ( -16.101 0.000 -2.458) 16.287 4.350 ( 5.869 0.000 -13.359) 14.592 4.394 ( 6.271 0.000 1.690) 6.495 4.450 ( 3.985 0.000 -0.983) 4.105 4.587 ( -2.682 0.000 -10.610) 10.944 5.078 ( 7.575 0.000 5.239) 9.210 5.162 ( 3.504 0.000 3.658) 5.066 5.257 ( 4.628 0.000 0.656) 4.674 5.304 ( 2.632 0.000 5.091) 5.731 5.326 ( 3.528 0.000 7.825) 8.584 5.355 ( 1.367 0.000 0.025) 1.367 5.543 ( 6.191 0.000 -1.833) 6.457 5.615 ( 2.799 0.000 1.741) 3.296 5.649 ( 3.279 0.000 -2.749) 4.279 5.771 ( -3.275 0.000 -2.463) 4.098 5.916 ( 8.585 0.000 2.696) 8.998 6.106 ( 6.214 0.000 -6.625) 9.083 6.173 ( 11.543 0.000 12.855) 17.277 6.505 ( -14.071 0.000 4.302) 14.714 6.509 ( 3.808 0.000 -1.009) 3.940 6.685 ( -15.178 0.000 -4.003) 15.697 6.842 ( -0.405 0.000 8.105) 8.115 7.173 ( -9.312 0.000 -1.949) 9.514 7.664 ( -2.203 0.000 -2.356) 3.225 7.673 ( -2.064 0.000 6.154) 6.491 7.827 ( 0.862 0.000 -5.969) 6.031 7.988 ( -8.374 0.000 -8.590) 11.996 20.020 ( 1.091 0.000 0.678) 1.284 20.047 ( 1.182 0.000 -0.573) 1.314 20.071 ( -0.977 0.000 0.821) 1.276 20.108 ( -1.308 0.000 -0.847) 1.558 20.227 ( 0.996 0.000 3.072) 3.230 20.284 ( -1.649 0.000 2.116) 2.683 20.396 ( 0.443 0.000 -3.508) 3.536 20.417 ( -0.653 0.000 -3.195) 3.261 24.828 ( 10.347 0.000 0.643) 10.367 24.905 ( 9.431 0.000 -3.605) 10.096 25.232 ( -7.924 0.000 0.201) 7.927 25.258 ( -7.055 0.000 -1.048) 7.132 31.820 ( -0.424 0.000 -0.991) 1.077 31.820 ( -0.409 0.000 -0.937) 1.022 31.886 ( 0.201 0.000 0.106) 0.227 31.890 ( 0.108 0.000 -0.110) 0.154 42.280 ( 10.739 0.000 5.329) 11.989 42.513 ( 9.324 0.000 -5.383) 10.766 42.788 ( -10.891 0.000 4.344) 11.725 42.975 ( -10.159 0.000 -4.243) 11.009 43.414 ( 12.193 0.000 12.793) 17.673 43.823 ( 18.851 0.000 -5.193) 19.554 44.239 ( -23.726 0.000 28.265) 36.903 44.995 ( -29.948 0.000 -9.531) 31.428 ======================= Grid point 202 (65/120) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -14.351 0.000 -0.858) 14.377 2.100 ( 14.351 0.000 -0.858) 14.377 2.391 ( -17.549 0.000 4.894) 18.219 2.391 ( 17.549 0.000 4.894) 18.219 2.621 ( -15.615 0.000 -7.084) 17.147 2.621 ( 15.615 0.000 -7.084) 17.147 2.843 ( -6.517 0.000 -4.405) 7.867 2.843 ( 6.517 0.000 -4.405) 7.867 3.746 ( -23.864 0.000 13.572) 27.453 3.746 ( 23.864 0.000 13.572) 27.453 4.476 ( -1.408 0.000 1.031) 1.746 4.476 ( 1.408 0.000 1.031) 1.746 4.495 ( -6.127 0.000 -15.822) 16.967 4.495 ( 6.127 0.000 -15.822) 16.967 5.182 ( -1.919 0.000 4.253) 4.666 5.182 ( 1.919 0.000 4.253) 4.666 5.338 ( -2.732 0.000 1.294) 3.023 5.338 ( 2.732 0.000 1.294) 3.023 5.347 ( -1.023 0.000 8.475) 8.537 5.347 ( 1.023 0.000 8.475) 8.537 5.654 ( -3.048 0.000 -3.770) 4.849 5.654 ( 3.048 0.000 -3.770) 4.849 5.690 ( -4.112 0.000 -2.536) 4.831 5.690 ( 4.112 0.000 -2.536) 4.831 6.147 ( -10.892 0.000 1.618) 11.011 6.147 ( 10.892 0.000 1.618) 11.011 6.382 ( -10.934 0.000 -2.557) 11.229 6.382 ( 10.934 0.000 -2.557) 11.229 6.403 ( -9.911 0.000 12.209) 15.726 6.403 ( 9.911 0.000 12.209) 15.726 6.971 ( -9.416 0.000 0.429) 9.426 6.971 ( 9.416 0.000 0.429) 9.426 7.645 ( -0.490 0.000 0.306) 0.578 7.645 ( 0.490 0.000 0.306) 0.578 7.868 ( -3.398 0.000 -8.611) 9.257 7.868 ( 3.398 0.000 -8.611) 9.257 20.044 ( -1.142 0.000 0.715) 1.347 20.044 ( 1.142 0.000 0.715) 1.347 20.080 ( -1.361 0.000 -0.676) 1.520 20.080 ( 1.361 0.000 -0.676) 1.520 20.252 ( -1.377 0.000 2.444) 2.805 20.252 ( 1.377 0.000 2.444) 2.805 20.405 ( -0.479 0.000 -3.354) 3.388 20.405 ( 0.479 0.000 -3.354) 3.388 25.042 ( -9.326 0.000 0.332) 9.332 25.042 ( 9.326 0.000 0.332) 9.332 25.096 ( -7.931 0.000 -2.024) 8.186 25.096 ( 7.931 0.000 -2.024) 8.186 31.815 ( -0.023 0.000 -1.105) 1.106 31.815 ( 0.023 0.000 -1.105) 1.106 31.890 ( -0.101 0.000 0.014) 0.102 31.890 ( 0.101 0.000 0.014) 0.102 42.517 ( -11.117 0.000 4.273) 11.910 42.517 ( 11.117 0.000 4.273) 11.910 42.755 ( -9.997 0.000 -4.247) 10.862 42.755 ( 9.997 0.000 -4.247) 10.862 43.724 ( -17.175 0.000 20.011) 26.371 43.724 ( 17.175 0.000 20.011) 26.371 44.394 ( -26.319 0.000 -8.546) 27.672 44.394 ( 26.319 0.000 -8.546) 27.672 ======================= Grid point 207 (66/120) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 9.965 25.609) 27.480 1.338 ( 0.000 31.585 17.437) 36.078 2.250 ( 0.000 18.621 -25.556) 31.621 2.268 ( 0.000 4.737 -23.017) 23.499 2.372 ( 0.000 18.151 45.788) 49.254 3.365 ( 0.000 -9.253 12.146) 15.269 3.547 ( 0.000 1.017 -0.767) 1.274 3.555 ( 0.000 5.687 3.260) 6.556 3.630 ( 0.000 2.229 -5.260) 5.713 4.005 ( 0.000 -0.418 0.371) 0.559 4.061 ( 0.000 4.020 -4.300) 5.886 4.206 ( 0.000 6.599 10.771) 12.632 4.266 ( 0.000 -0.231 -33.355) 33.356 4.701 ( 0.000 0.389 1.729) 1.772 4.785 ( 0.000 -5.584 2.125) 5.975 4.797 ( 0.000 -1.309 -10.928) 11.007 5.009 ( 0.000 -1.130 0.920) 1.457 5.109 ( 0.000 -1.912 -2.830) 3.415 5.113 ( 0.000 8.253 2.367) 8.586 5.204 ( 0.000 -0.546 -4.306) 4.340 5.387 ( 0.000 -4.944 9.594) 10.793 5.444 ( 0.000 4.865 3.063) 5.749 5.533 ( 0.000 10.615 -1.734) 10.756 5.633 ( 0.000 5.495 9.633) 11.090 5.636 ( 0.000 -3.425 -1.502) 3.740 5.982 ( 0.000 12.065 3.618) 12.595 6.099 ( 0.000 4.539 -9.757) 10.761 6.154 ( 0.000 21.301 -4.505) 21.772 6.983 ( 0.000 -3.677 4.385) 5.723 7.183 ( 0.000 4.021 7.225) 8.269 7.186 ( 0.000 -4.924 -4.787) 6.868 7.495 ( 0.000 1.634 -7.581) 7.756 7.697 ( 0.000 -3.539 7.751) 8.520 7.788 ( 0.000 -0.715 -0.745) 1.033 7.880 ( 0.000 -6.117 12.026) 13.492 8.500 ( 0.000 -12.019 -12.537) 17.367 20.025 ( 0.000 4.131 0.624) 4.178 20.050 ( 0.000 4.578 -0.540) 4.610 20.120 ( 0.000 0.603 0.979) 1.149 20.164 ( 0.000 0.834 -0.984) 1.290 20.180 ( 0.000 -1.951 3.736) 4.215 20.354 ( 0.000 -2.422 -4.094) 4.757 20.373 ( 0.000 -1.086 1.628) 1.956 20.440 ( 0.000 -1.810 -1.671) 2.463 24.400 ( 0.000 -0.084 0.224) 0.239 24.409 ( 0.000 -0.133 -0.221) 0.258 25.484 ( 0.000 -0.078 0.242) 0.254 25.498 ( 0.000 -0.169 -0.376) 0.412 31.824 ( 0.000 -1.491 0.424) 1.550 31.847 ( 0.000 -1.162 -0.632) 1.323 31.874 ( 0.000 -0.917 0.495) 1.042 31.892 ( 0.000 -1.007 -0.329) 1.060 41.964 ( 0.000 5.965 5.892) 8.385 42.221 ( 0.000 5.289 -5.855) 7.891 42.961 ( 0.000 -7.244 1.584) 7.416 43.015 ( 0.000 -4.754 -1.099) 4.879 43.375 ( 0.000 10.886 3.401) 11.405 43.549 ( 0.000 16.623 -4.180) 17.141 46.167 ( 0.000 -12.032 3.393) 12.501 46.293 ( 0.000 -10.426 -1.680) 10.560 ======================= Grid point 208 (67/120) ======================= q-point: ( 0.12 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 9.550 13.299 21.356) 26.910 1.449 ( 10.170 25.051 15.779) 31.305 2.263 ( 1.013 7.336 -20.923) 22.195 2.298 ( 2.895 15.350 -23.241) 28.003 2.486 ( 10.910 17.054 40.228) 45.035 3.243 ( -9.468 -6.094 10.804) 15.605 3.417 ( -10.021 3.944 1.557) 10.881 3.539 ( -4.880 4.528 2.403) 7.077 3.573 ( -5.602 0.893 -6.136) 8.356 4.045 ( 3.413 -1.182 -1.124) 3.783 4.130 ( 3.415 4.558 -8.035) 9.849 4.202 ( 6.830 5.982 -5.974) 10.868 4.373 ( 5.686 0.794 -12.535) 13.787 4.704 ( -1.781 -3.525 -4.293) 5.833 4.796 ( 1.908 -0.358 -1.144) 2.253 4.845 ( 5.920 -4.922 2.465) 8.084 5.054 ( 3.980 -0.795 1.136) 4.214 5.104 ( 2.638 3.695 0.741) 4.600 5.233 ( 4.754 2.999 -0.212) 5.625 5.251 ( 5.576 0.166 -3.508) 6.590 5.397 ( 0.087 1.203 7.342) 7.440 5.517 ( 0.374 8.089 1.412) 8.220 5.603 ( 11.804 -2.414 1.284) 12.116 5.633 ( 1.229 4.393 4.176) 6.185 5.729 ( 7.359 -0.640 0.959) 7.449 5.985 ( 0.548 12.433 4.562) 13.254 6.077 ( -1.903 4.650 -9.718) 10.940 6.184 ( 3.343 18.527 -5.924) 19.736 6.921 ( -5.874 -3.616 4.470) 8.220 7.109 ( -6.178 -1.746 -0.090) 6.421 7.149 ( -4.288 1.372 2.968) 5.392 7.454 ( -3.778 0.877 -6.994) 7.997 7.687 ( -0.879 -3.710 7.415) 8.338 7.781 ( -1.109 -1.559 0.899) 2.114 7.837 ( -3.473 -5.162 7.907) 10.061 8.381 ( -10.271 -10.305 -10.065) 17.691 20.028 ( 0.260 3.912 0.645) 3.974 20.052 ( 0.204 4.306 -0.411) 4.330 20.117 ( -0.359 0.842 0.834) 1.238 20.157 ( -0.617 0.546 -0.618) 1.030 20.183 ( 0.314 -1.636 3.426) 3.809 20.353 ( -1.432 -1.030 0.967) 2.011 20.357 ( 0.132 -2.067 -3.098) 3.726 20.434 ( -0.560 -1.585 -1.928) 2.558 24.466 ( 5.277 -0.177 0.015) 5.280 24.488 ( 7.638 -0.971 -1.645) 7.873 25.455 ( -2.739 -0.093 0.235) 2.750 25.470 ( -2.693 -0.179 -0.420) 2.732 31.824 ( -0.077 -1.421 0.308) 1.456 31.842 ( -0.556 -0.939 -0.537) 1.216 31.871 ( -0.159 -1.108 0.269) 1.151 31.882 ( -0.665 -1.027 -0.254) 1.249 42.014 ( 4.687 6.372 5.784) 9.800 42.267 ( 4.314 5.613 -5.789) 9.145 42.988 ( 2.733 -6.775 2.715) 7.794 43.078 ( 4.742 -4.090 -1.852) 6.530 43.351 ( -1.340 10.259 2.906) 10.747 43.505 ( -3.984 16.066 -3.819) 16.988 45.809 ( -38.647 -3.131 14.039) 41.237 45.990 ( -17.123 -11.109 0.536) 20.418 ======================= Grid point 209 (68/120) ======================= q-point: ( 0.25 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 14.310 15.822 14.471) 25.778 1.730 ( 15.635 16.040 11.400) 25.134 2.297 ( 2.739 4.070 -15.366) 16.130 2.389 ( 5.268 18.610 -21.585) 28.982 2.792 ( 14.631 9.365 27.137) 32.221 3.034 ( -7.302 0.016 13.194) 15.080 3.161 ( -13.475 4.732 2.291) 14.464 3.352 ( -13.307 0.758 -2.299) 13.526 3.392 ( -9.687 9.389 -3.327) 13.895 4.133 ( 5.521 -0.918 -15.451) 16.433 4.256 ( 6.719 1.616 -0.997) 6.982 4.398 ( 9.201 6.094 -2.180) 11.249 4.449 ( 0.317 2.158 -8.405) 8.683 4.600 ( -6.013 -5.107 -4.928) 9.302 4.904 ( 7.635 -0.584 4.947) 9.116 5.017 ( 9.346 -3.734 0.937) 10.108 5.162 ( 5.740 0.268 1.976) 6.076 5.196 ( 5.757 2.902 2.385) 6.874 5.327 ( 4.504 4.966 1.416) 6.852 5.396 ( 6.695 -5.642 1.480) 8.880 5.397 ( 1.336 8.589 3.770) 9.475 5.530 ( 1.470 6.634 0.939) 6.859 5.671 ( 2.635 3.202 3.574) 5.474 5.825 ( 6.177 1.879 2.368) 6.877 5.890 ( 5.752 3.393 -1.240) 6.792 6.005 ( 0.249 8.794 -0.091) 8.798 6.061 ( 3.654 3.548 -2.514) 5.680 6.330 ( 10.013 7.897 -7.380) 14.734 6.747 ( -10.065 -2.838 4.237) 11.283 6.926 ( -11.170 -3.006 -2.219) 11.779 7.016 ( -7.899 3.538 6.658) 10.920 7.340 ( -7.047 -0.319 -4.763) 8.511 7.660 ( -1.674 -4.895 8.074) 9.589 7.712 ( -4.545 -2.975 2.660) 6.048 7.790 ( -1.006 -3.197 -2.520) 4.194 8.131 ( -12.148 -7.983 -7.871) 16.530 20.035 ( 0.449 3.294 0.697) 3.397 20.060 ( 0.513 3.482 -0.325) 3.534 20.105 ( -0.722 1.234 0.717) 1.599 20.141 ( -0.880 0.677 -0.649) 1.286 20.195 ( 0.848 -1.233 3.215) 3.547 20.317 ( -1.749 -0.333 1.972) 2.657 20.365 ( 0.498 -2.142 -3.786) 4.378 20.419 ( -0.742 -1.188 -2.420) 2.796 24.619 ( 8.929 -0.243 0.412) 8.942 24.681 ( 9.954 -1.724 -3.302) 10.628 25.370 ( -5.340 -0.135 0.162) 5.344 25.385 ( -5.282 -0.246 -0.525) 5.314 31.819 ( -0.364 -1.157 -0.145) 1.221 31.826 ( -0.809 -0.691 -0.581) 1.212 31.870 ( 0.106 -1.401 -0.015) 1.405 31.872 ( -0.230 -1.230 -0.113) 1.257 42.157 ( 8.779 7.514 5.406) 12.758 42.398 ( 7.967 6.475 -5.637) 11.712 43.060 ( 1.551 -2.946 3.776) 5.034 43.098 ( -3.217 4.377 0.515) 5.457 43.386 ( -1.936 10.526 -0.384) 10.709 43.458 ( 9.311 3.378 -2.823) 10.299 44.943 ( -39.275 2.889 28.172) 48.420 45.516 ( -26.812 -9.374 -4.980) 28.837 ======================= Grid point 210 (69/120) ======================= q-point: ( 0.38 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 16.524 14.918 8.247) 23.740 2.073 ( 16.191 9.772 6.659) 20.050 2.404 ( 8.198 4.051 -10.563) 13.971 2.468 ( -0.151 17.513 -12.701) 21.634 2.715 ( -12.756 -0.668 5.496) 13.905 2.915 ( -6.598 5.695 -0.557) 8.734 3.016 ( -16.839 3.305 -2.116) 17.291 3.153 ( -7.891 9.522 -3.352) 12.813 3.329 ( 19.080 10.726 19.073) 29.032 4.179 ( -13.867 -0.039 -1.032) 13.906 4.277 ( 5.775 -3.551 -11.916) 13.710 4.451 ( 1.701 3.923 -1.602) 4.567 4.526 ( 2.501 0.582 0.603) 2.638 4.563 ( 1.902 3.109 -9.067) 9.772 5.081 ( 7.917 -0.624 4.021) 8.902 5.174 ( 4.276 -1.057 1.292) 4.590 5.277 ( 5.012 2.111 4.927) 7.338 5.316 ( 4.475 0.979 5.970) 7.525 5.413 ( 2.953 10.049 2.704) 10.818 5.424 ( 2.594 5.670 1.985) 6.543 5.566 ( 7.350 -4.257 -0.527) 8.510 5.583 ( 3.671 5.626 -1.429) 6.868 5.728 ( 2.410 5.091 1.060) 5.731 5.880 ( -3.978 9.890 -1.847) 10.819 5.920 ( 5.310 1.946 3.039) 6.420 6.081 ( 6.938 -1.738 -6.179) 9.452 6.235 ( 10.406 5.349 8.586) 14.512 6.390 ( -9.941 -5.007 3.382) 11.633 6.625 ( 0.403 5.399 -1.228) 5.552 6.654 ( -13.678 -2.700 -2.990) 14.259 6.864 ( -3.472 1.996 7.631) 8.618 7.165 ( -9.314 -0.770 -1.855) 9.528 7.620 ( -1.703 -4.965 5.491) 7.596 7.639 ( -2.248 -2.527 -1.547) 3.719 7.777 ( -0.092 -4.770 -5.410) 7.213 7.912 ( -8.100 -7.083 -8.591) 13.769 20.047 ( 0.665 2.433 0.671) 2.610 20.072 ( 0.357 2.138 -0.394) 2.203 20.090 ( -0.439 1.908 0.649) 2.062 20.121 ( -1.011 1.215 -0.660) 1.712 20.218 ( 1.312 -0.659 2.825) 3.184 20.282 ( -1.637 -0.137 2.109) 2.673 20.377 ( 0.620 -1.788 -3.568) 4.039 20.404 ( -0.677 -1.084 -2.875) 3.146 24.826 ( 10.363 -0.246 0.538) 10.380 24.889 ( 9.714 -1.484 -2.897) 10.244 25.231 ( -7.941 -0.163 0.164) 7.944 25.252 ( -7.238 -0.499 -0.904) 7.311 31.811 ( -0.313 -0.884 -0.665) 1.150 31.813 ( -0.435 -0.676 -0.807) 1.139 31.871 ( 0.095 -1.420 0.025) 1.424 31.873 ( 0.092 -1.576 -0.059) 1.580 42.373 ( 11.557 9.035 4.586) 15.370 42.589 ( 9.709 7.411 -5.366) 13.341 42.907 ( -10.258 10.608 2.612) 14.986 43.044 ( -7.160 6.094 -2.681) 9.777 43.429 ( 9.122 1.989 10.609) 14.132 43.797 ( 19.483 -2.798 -5.779) 20.514 44.239 ( -26.753 0.788 26.139) 37.411 44.916 ( -29.161 -7.620 -8.428) 31.297 ======================= Grid point 211 (70/120) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -9.734 13.347 0.944) 16.546 2.264 ( 9.734 13.347 0.944) 16.546 2.434 ( -10.483 4.582 4.811) 12.411 2.434 ( 10.483 4.582 4.811) 12.411 2.659 ( -15.660 4.529 -5.714) 17.274 2.659 ( 15.660 4.529 -5.714) 17.274 2.958 ( -7.958 10.242 -6.887) 14.685 2.958 ( 7.958 10.242 -6.887) 14.685 3.785 ( -21.453 4.613 12.045) 25.032 3.785 ( 21.453 4.613 12.045) 25.032 4.404 ( -5.080 -3.634 -11.117) 12.751 4.404 ( 5.080 -3.634 -11.117) 12.751 4.576 ( -1.391 4.989 -1.482) 5.387 4.576 ( 1.391 4.989 -1.482) 5.387 5.192 ( -2.275 -0.606 2.863) 3.707 5.192 ( 2.275 -0.606 2.863) 3.707 5.349 ( -1.283 1.860 8.031) 8.343 5.349 ( 1.283 1.860 8.031) 8.343 5.454 ( -0.833 9.976 0.976) 10.058 5.454 ( 0.833 9.976 0.976) 10.058 5.641 ( -1.697 0.310 -2.937) 3.407 5.641 ( 1.697 0.310 -2.937) 3.407 5.793 ( -4.056 8.396 -1.549) 9.452 5.793 ( 4.056 8.396 -1.549) 9.452 6.105 ( -11.902 -3.392 4.355) 13.120 6.105 ( 11.902 -3.392 4.355) 13.120 6.302 ( -9.892 -3.439 -2.263) 10.715 6.302 ( 9.892 -3.439 -2.263) 10.715 6.515 ( -7.413 6.462 7.661) 12.466 6.515 ( 7.413 6.462 7.661) 12.466 6.965 ( -9.165 -0.504 -0.090) 9.179 6.965 ( 9.165 -0.504 -0.090) 9.179 7.608 ( -0.592 -3.542 0.517) 3.628 7.608 ( 0.592 -3.542 0.517) 3.628 7.800 ( -2.747 -6.422 -8.066) 10.670 7.800 ( 2.747 -6.422 -8.066) 10.670 20.063 ( -0.799 1.674 0.471) 1.914 20.063 ( 0.799 1.674 0.471) 1.914 20.099 ( -0.934 1.961 -0.382) 2.205 20.099 ( 0.934 1.961 -0.382) 2.205 20.248 ( -1.528 -0.232 2.411) 2.864 20.248 ( 1.528 -0.232 2.411) 2.864 20.391 ( -0.646 -1.356 -3.256) 3.586 20.391 ( 0.646 -1.356 -3.256) 3.586 25.040 ( -9.268 -0.198 0.257) 9.274 25.040 ( 9.268 -0.198 0.257) 9.274 25.085 ( -8.121 -0.948 -1.681) 8.347 25.085 ( 8.121 -0.948 -1.681) 8.347 31.808 ( -0.023 -0.737 -0.874) 1.143 31.808 ( 0.023 -0.737 -0.874) 1.143 31.873 ( -0.056 -1.560 0.003) 1.561 31.873 ( 0.056 -1.560 0.003) 1.561 42.622 ( -10.841 9.658 2.530) 14.738 42.622 ( 10.841 9.658 2.530) 14.738 42.851 ( -9.182 9.402 -3.659) 13.642 42.851 ( 9.182 9.402 -3.659) 13.642 43.723 ( -17.991 0.184 18.859) 26.065 43.723 ( 17.991 0.184 18.859) 26.065 44.329 ( -25.901 -6.366 -7.972) 27.837 44.329 ( 25.901 -6.366 -7.972) 27.837 ======================= Grid point 216 (71/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 16.265 20.531) 26.193 1.855 ( 0.000 20.976 16.249) 26.533 2.382 ( 0.000 7.510 -17.497) 19.041 2.602 ( 0.000 14.473 -19.440) 24.236 2.953 ( 0.000 36.499 24.468) 43.942 3.237 ( 0.000 -3.674 9.251) 9.954 3.575 ( 0.000 1.612 -8.626) 8.776 3.674 ( 0.000 6.294 3.240) 7.079 3.711 ( 0.000 4.260 -0.460) 4.285 3.891 ( 0.000 -8.833 6.289) 10.843 4.098 ( 0.000 -0.451 -5.947) 5.964 4.278 ( 0.000 1.679 -22.836) 22.898 4.399 ( 0.000 10.135 4.764) 11.199 4.681 ( 0.000 -4.203 -6.888) 8.069 4.699 ( 0.000 -2.548 2.972) 3.915 4.793 ( 0.000 3.425 -3.774) 5.097 4.960 ( 0.000 -2.944 0.435) 2.976 5.077 ( 0.000 -1.468 -2.342) 2.764 5.213 ( 0.000 1.678 -2.971) 3.412 5.220 ( 0.000 -0.402 3.486) 3.509 5.303 ( 0.000 -0.396 6.720) 6.732 5.566 ( 0.000 -2.485 -4.055) 4.756 5.676 ( 0.000 15.242 4.142) 15.794 5.784 ( 0.000 10.910 7.168) 13.054 5.832 ( 0.000 17.329 -2.296) 17.481 6.096 ( 0.000 2.689 -5.728) 6.328 6.362 ( 0.000 18.106 4.510) 18.660 6.518 ( 0.000 14.460 -0.861) 14.486 6.912 ( 0.000 -3.665 3.077) 4.785 7.074 ( 0.000 -6.001 -4.866) 7.726 7.226 ( 0.000 -1.230 9.459) 9.538 7.511 ( 0.000 -0.261 -5.211) 5.218 7.606 ( 0.000 -4.104 9.875) 10.694 7.765 ( 0.000 -4.611 4.029) 6.123 7.779 ( 0.000 0.084 -1.734) 1.736 8.237 ( 0.000 -13.770 -13.425) 19.232 20.101 ( 0.000 -2.212 1.846) 2.882 20.124 ( 0.000 5.048 0.629) 5.087 20.151 ( 0.000 4.970 0.797) 5.033 20.177 ( 0.000 1.685 0.502) 1.758 20.182 ( 0.000 0.930 -0.801) 1.227 20.292 ( 0.000 -3.143 -4.096) 5.163 20.357 ( 0.000 -0.310 1.709) 1.737 20.406 ( 0.000 -1.500 -0.874) 1.736 24.397 ( 0.000 -0.128 0.192) 0.230 24.406 ( 0.000 -0.223 -0.189) 0.292 25.482 ( 0.000 -0.112 0.201) 0.230 25.493 ( 0.000 -0.261 -0.307) 0.403 31.788 ( 0.000 -2.015 0.657) 2.120 31.818 ( 0.000 -1.722 -0.703) 1.860 31.850 ( 0.000 -1.457 0.429) 1.519 31.865 ( 0.000 -1.624 -0.286) 1.649 42.121 ( 0.000 9.587 5.589) 11.097 42.354 ( 0.000 7.615 -4.658) 8.927 42.832 ( 0.000 -5.805 2.314) 6.249 42.925 ( 0.000 -4.491 -1.996) 4.914 43.542 ( 0.000 5.481 6.196) 8.272 43.890 ( 0.000 16.160 -9.175) 18.583 45.880 ( 0.000 -15.259 6.607) 16.628 46.106 ( 0.000 -7.481 -3.357) 8.199 ======================= Grid point 217 (72/120) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 9.133 15.071 17.471) 24.815 1.927 ( 6.592 19.929 15.388) 26.027 2.385 ( 0.491 7.692 -16.135) 17.881 2.647 ( 4.089 14.680 -19.186) 24.501 3.007 ( 4.128 30.930 20.019) 37.074 3.176 ( -4.116 1.225 12.065) 12.806 3.471 ( -9.051 2.286 -6.339) 11.283 3.586 ( -7.696 2.905 3.055) 8.775 3.662 ( -3.528 3.174 -2.633) 5.427 4.000 ( 8.536 -4.072 6.442) 11.443 4.181 ( 3.923 2.566 -11.361) 12.290 4.305 ( 6.055 2.602 -13.571) 15.086 4.457 ( 3.753 7.522 -0.959) 8.461 4.622 ( -2.816 -4.534 -4.354) 6.888 4.760 ( 3.705 -0.102 1.312) 3.931 4.822 ( 3.578 0.982 -0.344) 3.726 5.024 ( 5.451 -1.993 0.964) 5.883 5.117 ( 2.888 -2.372 -0.694) 3.801 5.229 ( 2.173 -1.249 1.739) 3.051 5.274 ( 4.248 2.349 -0.244) 4.860 5.443 ( 11.419 -2.340 2.856) 12.001 5.578 ( 1.466 0.570 -1.685) 2.305 5.738 ( 3.645 15.259 2.380) 15.868 5.778 ( 1.635 9.060 4.343) 10.179 5.867 ( 3.108 15.010 -0.351) 15.333 6.094 ( 0.018 2.343 -5.931) 6.377 6.342 ( -1.731 18.019 5.076) 18.800 6.517 ( -0.052 13.796 -1.406) 13.868 6.851 ( -5.730 -3.518 3.112) 7.409 7.013 ( -5.760 -5.935 -4.805) 9.565 7.190 ( -3.408 -0.223 8.974) 9.602 7.461 ( -4.532 -0.363 -4.326) 6.276 7.580 ( -2.343 -5.391 9.710) 11.351 7.736 ( -2.611 -3.359 2.561) 4.966 7.763 ( -1.566 -1.134 -2.116) 2.866 8.150 ( -7.724 -12.265 -11.938) 18.778 20.095 ( -0.361 -0.567 1.529) 1.670 20.132 ( 0.510 3.269 0.814) 3.408 20.151 ( -0.162 5.163 0.003) 5.166 20.168 ( -0.502 1.486 0.919) 1.818 20.182 ( -0.081 0.852 -0.318) 0.913 20.297 ( 0.463 -2.915 -4.033) 4.998 20.345 ( -1.051 -0.056 1.918) 2.188 20.404 ( -0.211 -1.317 -1.101) 1.729 24.462 ( 5.199 -0.273 -0.038) 5.207 24.470 ( 6.464 -0.831 -0.572) 6.542 25.453 ( -2.773 -0.129 0.204) 2.784 25.465 ( -2.719 -0.272 -0.347) 2.755 31.789 ( 0.065 -1.958 0.601) 2.049 31.817 ( -0.168 -1.561 -0.672) 1.708 31.843 ( -0.500 -1.542 0.345) 1.657 31.856 ( -0.663 -1.555 -0.250) 1.709 42.182 ( 5.649 10.194 5.400) 12.845 42.409 ( 5.166 8.219 -4.654) 10.765 42.868 ( 3.571 -5.308 3.137) 7.125 42.992 ( 6.128 -4.635 -2.879) 8.205 43.512 ( -2.587 5.321 5.909) 8.361 43.835 ( -5.106 15.774 -8.409) 18.590 45.709 ( -16.833 -12.653 4.648) 21.564 45.776 ( -27.420 -2.843 3.284) 27.762 ======================= Grid point 218 (73/120) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 13.262 12.737 11.590) 21.735 2.117 ( 11.083 17.163 13.558) 24.521 2.413 ( 2.418 7.486 -13.381) 15.522 2.761 ( 6.301 15.934 -17.945) 24.812 2.949 ( -8.543 4.904 5.622) 11.342 3.213 ( -7.817 4.491 0.239) 9.019 3.279 ( 5.536 21.681 15.724) 27.349 3.377 ( -11.629 1.589 2.554) 12.011 3.570 ( -4.988 7.037 -3.783) 9.419 4.176 ( 6.549 2.983 0.716) 7.232 4.240 ( 3.430 -0.065 -12.084) 12.562 4.465 ( -2.745 -3.859 -6.012) 7.653 4.519 ( 9.665 5.775 -0.508) 11.271 4.595 ( 0.823 7.677 -5.640) 9.562 4.875 ( 7.271 -1.347 3.278) 8.089 4.962 ( 9.355 -1.548 1.596) 9.616 5.158 ( 6.516 -1.504 3.390) 7.497 5.200 ( 5.862 -3.511 1.780) 7.061 5.298 ( 4.382 -2.123 4.372) 6.544 5.387 ( 6.171 2.245 -0.864) 6.624 5.613 ( 2.523 -3.277 1.596) 4.432 5.671 ( 6.911 9.315 0.969) 11.639 5.748 ( 0.851 13.321 0.462) 13.356 5.922 ( 7.782 4.430 -2.097) 9.197 5.956 ( 4.792 10.491 1.634) 11.649 6.111 ( 1.888 3.454 -5.835) 7.039 6.305 ( -0.865 16.590 6.737) 17.926 6.512 ( -1.725 8.772 -1.440) 9.055 6.698 ( -6.634 -1.227 2.040) 7.049 6.839 ( -10.477 -5.541 -4.653) 12.733 7.081 ( -6.912 2.192 8.137) 10.899 7.331 ( -7.691 -0.584 -2.573) 8.131 7.524 ( -2.379 -7.106 7.858) 10.858 7.664 ( -4.025 -2.285 0.230) 4.634 7.716 ( -2.774 -3.792 -2.953) 5.549 7.950 ( -10.290 -9.537 -9.487) 16.936 20.088 ( -0.249 0.471 1.024) 1.154 20.133 ( -1.032 1.976 -0.905) 2.406 20.139 ( 0.014 3.378 1.053) 3.539 20.166 ( -0.213 2.675 0.109) 2.686 20.189 ( 1.024 1.052 1.429) 2.049 20.309 ( 0.300 -1.339 -2.384) 2.751 20.321 ( -0.687 -0.593 0.788) 1.202 20.396 ( -0.487 -0.983 -1.604) 1.943 24.613 ( 8.885 -0.348 0.223) 8.894 24.645 ( 9.653 -1.692 -1.539) 9.920 25.367 ( -5.400 -0.196 0.147) 5.405 25.379 ( -5.425 -0.343 -0.414) 5.451 31.789 ( -0.033 -1.730 0.374) 1.770 31.808 ( -0.646 -1.102 -0.438) 1.350 31.835 ( -0.163 -1.950 0.050) 1.958 31.844 ( -0.424 -1.568 -0.272) 1.647 42.352 ( 10.339 11.718 4.649) 16.304 42.563 ( 9.161 9.563 -4.738) 14.065 42.985 ( 7.448 -3.375 4.953) 9.560 43.144 ( 5.870 -1.349 -3.522) 6.977 43.470 ( 0.879 2.049 3.907) 4.499 43.689 ( -8.035 13.989 -6.000) 17.212 45.038 ( -36.790 6.533 13.437) 39.708 45.288 ( -24.860 -12.302 -0.614) 27.745 ======================= Grid point 219 (74/120) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 15.424 10.195 6.030) 19.447 2.360 ( 10.791 13.356 9.791) 19.766 2.506 ( 7.123 5.825 -6.727) 11.398 2.745 ( -9.106 7.587 1.384) 11.933 2.834 ( -7.450 13.331 -5.703) 16.301 3.021 ( 0.998 5.357 -12.221) 13.381 3.096 ( -14.066 3.664 2.854) 14.813 3.364 ( -6.638 10.258 -6.753) 13.960 3.625 ( 13.881 18.696 13.889) 27.113 4.209 ( -8.553 2.764 2.203) 9.255 4.283 ( 4.319 5.436 -11.743) 13.642 4.418 ( -0.542 -3.799 -5.048) 6.341 4.613 ( 2.724 7.697 2.819) 8.638 4.677 ( 2.970 6.031 -1.710) 6.937 5.043 ( 7.568 -2.853 2.215) 8.386 5.124 ( 4.130 -2.700 -0.421) 4.952 5.307 ( 6.860 0.260 6.644) 9.554 5.347 ( 5.584 0.969 4.371) 7.157 5.436 ( 10.503 -4.360 4.702) 12.306 5.518 ( 5.997 0.991 -1.453) 6.250 5.648 ( 0.919 -0.869 3.067) 3.318 5.731 ( 1.397 14.151 2.516) 14.440 5.837 ( 5.246 10.762 -2.975) 12.337 6.018 ( 2.590 1.317 -6.587) 7.199 6.051 ( 3.176 6.858 1.963) 7.809 6.127 ( -0.560 11.761 -0.815) 11.802 6.310 ( -9.120 -2.078 3.834) 10.109 6.384 ( 0.306 8.165 3.149) 8.757 6.595 ( -9.258 -2.552 -1.209) 9.679 6.717 ( 4.514 4.168 -3.042) 6.856 6.916 ( -7.399 3.146 7.189) 10.786 7.150 ( -9.205 -0.498 -1.449) 9.332 7.498 ( 0.015 -6.779 4.217) 7.984 7.580 ( -3.622 -3.204 -0.545) 4.867 7.658 ( -2.258 -6.775 -4.120) 8.244 7.755 ( -7.583 -7.774 -8.259) 13.644 20.086 ( 0.084 0.877 0.372) 0.956 20.110 ( -1.016 1.426 -0.568) 1.841 20.142 ( 0.196 2.819 0.556) 2.880 20.157 ( -0.479 2.341 -0.182) 2.397 20.219 ( 1.664 1.299 2.122) 2.993 20.287 ( -1.460 0.950 2.225) 2.825 20.337 ( 1.205 -1.774 -3.231) 3.878 20.383 ( -0.813 -0.872 -2.177) 2.482 24.820 ( 10.399 -0.350 0.311) 10.409 24.856 ( 10.153 -1.679 -1.592) 10.414 25.226 ( -7.971 -0.253 0.091) 7.976 25.241 ( -7.641 -0.636 -0.596) 7.690 31.788 ( -0.056 -1.386 0.006) 1.387 31.795 ( -0.477 -1.025 -0.325) 1.176 31.835 ( 0.061 -2.064 -0.120) 2.069 31.839 ( -0.135 -1.801 -0.235) 1.822 42.598 ( 12.492 12.780 2.899) 18.105 42.772 ( 9.847 10.143 -4.878) 14.954 43.121 ( -3.983 9.372 1.718) 10.328 43.159 ( 3.733 4.893 1.758) 6.400 43.510 ( -0.970 5.482 3.416) 6.532 43.712 ( 16.627 -5.207 -4.234) 17.931 44.308 ( -31.540 6.640 16.731) 36.315 44.727 ( -27.574 -10.602 -4.590) 29.896 ======================= Grid point 220 (75/120) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -12.102 8.280 2.407) 14.860 2.482 ( 12.102 8.280 2.407) 14.860 2.566 ( -8.790 7.745 3.187) 12.141 2.566 ( 8.790 7.745 3.187) 12.141 2.796 ( -12.848 8.158 -0.893) 15.246 2.796 ( 12.848 8.158 -0.893) 15.246 3.179 ( -9.454 10.618 -12.526) 18.948 3.179 ( 9.454 10.618 -12.526) 18.948 3.946 ( -14.955 11.538 8.969) 20.910 3.946 ( 14.955 11.538 8.968) 20.910 4.373 ( -3.709 1.464 -9.535) 10.335 4.373 ( 3.709 1.464 -9.535) 10.335 4.677 ( -2.331 5.108 3.046) 6.388 4.677 ( 2.331 5.108 3.046) 6.388 5.146 ( -1.884 -3.335 0.548) 3.869 5.146 ( 1.884 -3.335 0.548) 3.869 5.392 ( -1.062 1.305 7.868) 8.045 5.392 ( 1.062 1.305 7.868) 8.045 5.591 ( -2.277 0.262 -1.185) 2.580 5.591 ( 2.277 0.262 -1.185) 2.580 5.722 ( -4.923 6.905 2.352) 8.800 5.722 ( 4.923 6.905 2.352) 8.800 5.951 ( -7.550 7.387 -0.720) 10.587 5.951 ( 7.550 7.387 -0.720) 10.587 6.107 ( -4.033 5.088 1.473) 6.658 6.107 ( 4.033 5.088 1.473) 6.658 6.248 ( -10.439 -1.066 -3.789) 11.156 6.248 ( 10.439 -1.066 -3.789) 11.156 6.646 ( -9.018 6.960 5.964) 12.858 6.646 ( 9.018 6.960 5.964) 12.858 6.957 ( -8.673 -0.118 -1.085) 8.741 6.957 ( 8.673 -0.118 -1.085) 8.741 7.521 ( -1.997 -5.056 1.205) 5.568 7.521 ( 1.997 -5.056 1.205) 5.568 7.650 ( -2.161 -7.766 -6.700) 10.482 7.650 ( 2.161 -7.766 -6.700) 10.482 20.093 ( -0.570 1.075 -0.198) 1.232 20.093 ( 0.570 1.075 -0.198) 1.232 20.148 ( -0.373 2.514 0.115) 2.544 20.148 ( 0.373 2.514 0.115) 2.544 20.255 ( -1.664 1.157 2.304) 3.068 20.255 ( 1.664 1.157 2.304) 3.068 20.362 ( -1.131 -1.149 -2.753) 3.190 20.362 ( 1.131 -1.149 -2.753) 3.190 25.035 ( -8.990 -0.291 0.097) 8.996 25.035 ( 8.990 -0.291 0.097) 8.996 25.063 ( -8.335 -1.170 -0.978) 8.474 25.063 ( 8.335 -1.170 -0.978) 8.474 31.789 ( -0.156 -1.143 -0.244) 1.179 31.789 ( 0.156 -1.143 -0.244) 1.179 31.837 ( -0.082 -1.997 -0.175) 2.007 31.837 ( 0.082 -1.997 -0.175) 2.007 42.834 ( -7.699 10.505 -0.503) 13.034 42.834 ( 7.699 10.505 -0.503) 13.034 43.093 ( -6.343 14.099 -2.207) 15.617 43.093 ( 6.343 14.099 -2.207) 15.617 43.744 ( -21.236 2.211 14.746) 25.948 43.744 ( 21.236 2.211 14.746) 25.948 44.167 ( -24.961 -9.219 -5.855) 27.246 44.167 ( 24.961 -9.219 -5.855) 27.246 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 18.575 15.972) 24.498 2.220 ( 0.000 17.164 12.280) 21.105 2.556 ( 0.000 9.639 -15.149) 17.955 2.806 ( 0.000 7.410 -15.022) 16.750 3.187 ( 0.000 -1.374 3.596) 3.850 3.536 ( 0.000 -6.358 -10.291) 12.097 3.542 ( 0.000 14.332 6.495) 15.735 3.700 ( 0.000 -9.651 5.967) 11.346 3.761 ( 0.000 0.299 -2.624) 2.641 3.897 ( 0.000 21.604 10.602) 24.066 4.020 ( 0.000 -8.105 -9.268) 12.312 4.367 ( 0.000 7.726 -7.790) 10.972 4.546 ( 0.000 4.753 3.986) 6.203 4.575 ( 0.000 -5.280 0.979) 5.370 4.729 ( 0.000 6.255 1.934) 6.547 4.903 ( 0.000 -2.872 0.280) 2.886 4.920 ( 0.000 7.100 -9.247) 11.658 5.046 ( 0.000 -0.862 -0.955) 1.287 5.192 ( 0.000 -0.427 6.526) 6.540 5.266 ( 0.000 3.167 -2.268) 3.896 5.298 ( 0.000 -1.031 4.575) 4.690 5.521 ( 0.000 -2.195 -4.198) 4.737 5.877 ( 0.000 6.959 1.386) 7.096 6.057 ( 0.000 2.697 -6.703) 7.226 6.131 ( 0.000 20.359 4.349) 20.818 6.266 ( 0.000 16.250 -1.498) 16.319 6.698 ( 0.000 14.460 6.531) 15.867 6.706 ( 0.000 4.654 6.631) 8.101 6.830 ( 0.000 -4.456 2.144) 4.945 6.971 ( 0.000 -3.871 -5.377) 6.626 7.129 ( 0.000 -6.060 11.467) 12.969 7.488 ( 0.000 -1.734 -3.029) 3.491 7.586 ( 0.000 0.788 3.389) 3.480 7.712 ( 0.000 -0.471 2.110) 2.162 7.793 ( 0.000 1.094 -2.281) 2.530 7.975 ( 0.000 -13.005 -14.644) 19.585 20.064 ( 0.000 -1.308 0.507) 1.403 20.146 ( 0.000 -2.302 -2.320) 3.269 20.204 ( 0.000 1.198 0.191) 1.213 20.220 ( 0.000 1.511 0.155) 1.519 20.244 ( 0.000 3.779 1.082) 3.930 20.279 ( 0.000 2.554 -1.589) 3.008 20.366 ( 0.000 1.147 1.604) 1.973 20.385 ( 0.000 -0.546 0.072) 0.550 24.395 ( 0.000 -0.110 0.140) 0.178 24.401 ( 0.000 -0.242 -0.138) 0.278 25.480 ( 0.000 -0.084 0.140) 0.163 25.488 ( 0.000 -0.268 -0.217) 0.345 31.752 ( 0.000 -1.486 0.823) 1.699 31.783 ( 0.000 -1.728 -0.566) 1.818 31.820 ( 0.000 -1.418 0.327) 1.456 31.832 ( 0.000 -1.659 -0.208) 1.672 42.316 ( 0.000 9.632 5.019) 10.861 42.491 ( 0.000 5.590 -2.340) 6.060 42.738 ( 0.000 -3.629 2.808) 4.588 42.845 ( 0.000 -3.437 -1.221) 3.648 43.609 ( 0.000 2.433 4.889) 5.461 44.102 ( 0.000 3.775 -17.040) 17.453 45.657 ( 0.000 -5.585 12.707) 13.880 46.000 ( 0.000 -4.031 -3.818) 5.552 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.12 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 6.942 17.133 13.679) 22.997 2.269 ( 4.496 15.961 11.643) 20.262 2.557 ( 0.128 9.114 -13.765) 16.509 2.846 ( 3.781 6.801 -15.256) 17.126 3.149 ( -3.455 0.472 3.090) 4.659 3.439 ( -6.930 -0.169 -5.539) 8.873 3.549 ( -2.410 2.853 1.748) 4.124 3.621 ( -4.552 -3.572 -1.233) 5.916 3.823 ( -1.485 22.935 10.368) 25.214 3.896 ( 9.189 -4.699 3.024) 10.754 4.192 ( 11.146 -3.526 -6.239) 13.251 4.381 ( 1.371 8.258 -7.266) 11.085 4.545 ( -0.586 -1.695 1.232) 2.176 4.612 ( 5.920 5.401 0.485) 8.029 4.794 ( 4.897 3.889 3.358) 7.098 4.896 ( 0.380 4.616 -3.442) 5.770 4.982 ( 4.767 -1.151 -2.264) 5.402 5.067 ( 1.636 -1.731 -0.535) 2.441 5.224 ( 2.116 1.216 5.192) 5.737 5.320 ( 3.262 1.562 0.423) 3.642 5.373 ( 8.175 -3.597 0.566) 8.950 5.538 ( 1.989 -3.643 -3.357) 5.338 5.915 ( 3.262 6.206 1.985) 7.286 6.079 ( 2.207 2.799 -5.977) 6.959 6.135 ( 0.550 19.921 3.556) 20.244 6.259 ( -0.542 16.595 -1.643) 16.685 6.655 ( -3.304 8.998 6.519) 11.592 6.716 ( -0.016 9.118 5.447) 10.621 6.782 ( -4.310 -2.880 1.948) 5.537 6.909 ( -5.659 -3.499 -5.240) 8.469 7.114 ( -1.325 -5.611 10.897) 12.328 7.441 ( -4.269 -1.431 -2.278) 5.046 7.542 ( -3.915 0.646 2.936) 4.936 7.687 ( -2.403 -1.008 1.041) 2.806 7.762 ( -2.945 0.647 -2.217) 3.743 7.915 ( -5.339 -11.664 -13.041) 18.292 20.067 ( 0.307 -1.183 0.493) 1.318 20.147 ( 0.017 -2.022 -2.247) 3.023 20.197 ( -0.657 0.795 -0.036) 1.032 20.209 ( -0.810 1.362 0.084) 1.587 20.249 ( 0.389 4.173 1.255) 4.375 20.287 ( 0.659 2.368 -1.504) 2.881 20.357 ( -0.701 1.323 1.755) 2.307 20.386 ( 0.065 -0.417 -0.117) 0.438 24.456 ( 5.222 -0.301 -0.062) 5.231 24.457 ( 5.593 -0.430 -0.124) 5.610 25.451 ( -2.802 -0.089 0.151) 2.808 25.459 ( -2.741 -0.278 -0.250) 2.767 31.754 ( 0.157 -1.452 0.793) 1.662 31.784 ( 0.079 -1.655 -0.573) 1.753 31.814 ( -0.586 -1.374 0.318) 1.527 31.825 ( -0.542 -1.557 -0.193) 1.660 42.388 ( 6.741 10.236 4.820) 13.170 42.558 ( 6.193 6.122 -2.297) 9.006 42.784 ( 4.576 -3.102 3.158) 6.367 42.905 ( 5.667 -3.988 -1.949) 7.198 43.575 ( -3.131 2.140 4.933) 6.223 44.045 ( -5.353 3.897 -15.994) 17.310 45.506 ( -13.935 -5.121 10.995) 18.474 45.761 ( -21.542 -0.361 -1.103) 21.573 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.25 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 10.357 13.858 9.053) 19.526 2.399 ( 7.543 12.735 10.204) 17.977 2.567 ( 1.075 7.466 -10.484) 12.916 2.958 ( 6.526 5.469 -15.312) 17.520 3.051 ( -5.509 4.830 1.012) 7.396 3.255 ( -10.576 1.516 -5.688) 12.104 3.382 ( -11.155 -0.629 3.795) 11.800 3.564 ( -2.743 -0.628 -6.071) 6.692 3.871 ( 5.643 25.506 11.675) 28.613 4.108 ( 10.218 -4.829 3.853) 11.940 4.370 ( 3.242 -3.774 -3.518) 6.093 4.415 ( 2.283 11.722 -6.530) 13.611 4.632 ( 9.097 4.396 1.552) 10.222 4.758 ( 5.162 8.006 -6.638) 11.611 4.904 ( 4.114 4.731 3.357) 7.111 4.945 ( 7.310 -0.307 3.698) 8.198 5.098 ( 4.856 -3.402 1.997) 6.256 5.129 ( 6.273 -3.093 -1.668) 7.190 5.282 ( 3.315 0.101 5.870) 6.742 5.404 ( 4.593 -1.632 1.989) 5.264 5.499 ( 2.309 -5.503 -0.528) 5.991 5.655 ( 8.709 -7.071 -5.559) 12.519 5.992 ( 3.333 7.462 3.313) 8.818 6.150 ( 3.737 9.648 -2.704) 10.694 6.173 ( 3.746 10.042 0.098) 10.719 6.251 ( 0.228 16.707 -1.689) 16.794 6.534 ( -9.143 1.824 3.651) 10.012 6.662 ( -5.832 6.541 1.470) 8.886 6.702 ( -4.209 1.441 2.682) 5.195 6.776 ( -3.239 3.330 -2.306) 5.186 7.073 ( -2.858 -2.652 8.816) 9.639 7.319 ( -7.130 -0.640 -1.084) 7.241 7.443 ( -4.674 -0.851 2.154) 5.217 7.611 ( -4.741 -2.606 -1.267) 5.557 7.674 ( -5.222 -0.515 -2.250) 5.709 7.775 ( -7.404 -8.348 -8.875) 14.257 20.076 ( 0.521 -0.782 0.324) 0.994 20.142 ( -0.552 -0.938 -1.970) 2.251 20.180 ( -0.715 0.304 -0.041) 0.778 20.194 ( -0.626 0.668 -0.328) 0.972 20.259 ( 0.634 4.302 1.557) 4.619 20.305 ( 1.063 1.896 -1.438) 2.607 20.340 ( -0.879 1.751 1.982) 2.787 20.385 ( -0.169 -0.103 -0.527) 0.563 24.607 ( 8.851 -0.310 0.072) 8.856 24.618 ( 9.259 -0.997 -0.542) 9.328 25.363 ( -5.485 -0.141 0.124) 5.489 25.373 ( -5.524 -0.317 -0.292) 5.541 31.758 ( 0.198 -1.329 0.695) 1.513 31.785 ( -0.174 -1.260 -0.451) 1.349 31.800 ( -0.522 -1.515 0.262) 1.624 31.814 ( -0.480 -1.469 -0.286) 1.572 42.585 ( 11.369 11.271 3.725) 16.436 42.731 ( 9.706 6.371 -2.091) 11.797 42.946 ( 11.377 0.018 3.836) 12.006 43.079 ( 10.563 -4.255 -3.264) 11.846 43.489 ( -4.282 0.517 5.023) 6.621 43.886 ( -9.411 4.158 -12.942) 16.534 45.102 ( -23.689 -4.121 6.926) 25.022 45.174 ( -32.272 5.587 3.802) 32.972 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.38 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 12.800 10.256 4.831) 17.099 2.562 ( 6.877 8.777 7.747) 13.578 2.615 ( 3.790 5.096 -4.708) 7.905 2.924 ( -4.888 9.169 -0.528) 10.404 2.994 ( -13.858 4.045 -2.883) 14.722 3.116 ( 2.407 2.520 -10.412) 10.980 3.154 ( -4.967 3.237 -3.403) 6.836 3.469 ( -6.300 0.118 -11.655) 13.249 4.031 ( 8.738 20.752 10.368) 24.789 4.281 ( 2.986 3.991 3.920) 6.342 4.376 ( 2.012 0.389 0.161) 2.055 4.478 ( 2.231 12.801 -6.181) 14.389 4.770 ( 1.701 7.382 2.771) 8.066 4.792 ( -0.507 6.164 0.718) 6.227 4.992 ( 5.601 -1.815 1.063) 5.982 5.089 ( 2.281 -0.717 -1.336) 2.739 5.283 ( 8.909 -2.959 3.100) 9.886 5.338 ( 13.842 -2.171 1.014) 14.048 5.353 ( 5.955 -2.408 8.350) 10.535 5.491 ( 3.156 -6.626 3.837) 8.282 5.531 ( 1.429 -5.238 -0.005) 5.429 5.831 ( 8.199 -7.748 -7.714) 13.666 6.018 ( -2.650 10.082 1.183) 10.491 6.195 ( -0.979 11.342 -4.815) 12.361 6.229 ( 0.592 7.616 4.350) 8.791 6.288 ( -5.387 2.524 1.739) 6.198 6.325 ( -0.634 9.478 -1.337) 9.593 6.460 ( -9.988 -1.742 -3.897) 10.862 6.671 ( 2.427 10.985 4.603) 12.155 6.803 ( 3.942 4.594 -0.872) 6.116 6.976 ( -6.287 2.656 5.714) 8.901 7.150 ( -8.727 0.406 -0.828) 8.776 7.385 ( -0.283 -4.014 1.579) 4.322 7.503 ( -4.900 -4.382 -1.930) 6.851 7.567 ( -4.129 -1.684 -2.411) 5.070 7.627 ( -6.244 -5.422 -5.283) 9.813 20.088 ( 0.656 -0.187 -0.128) 0.694 20.124 ( -1.021 0.153 -1.318) 1.675 20.172 ( -0.084 -0.128 -0.274) 0.314 20.182 ( -0.477 0.129 -0.537) 0.730 20.276 ( 0.917 3.760 1.842) 4.286 20.317 ( -0.778 1.969 1.702) 2.717 20.334 ( 1.092 1.597 -1.001) 2.178 20.377 ( -0.633 0.311 -0.928) 1.166 24.813 ( 10.432 -0.306 0.116) 10.437 24.828 ( 10.382 -1.101 -0.660) 10.462 25.221 ( -8.012 -0.234 0.049) 8.016 25.230 ( -7.993 -0.471 -0.334) 8.014 31.762 ( 0.198 -1.126 0.530) 1.260 31.776 ( -0.505 -0.885 0.130) 1.027 31.797 ( 0.095 -1.732 -0.237) 1.750 31.805 ( -0.303 -1.531 -0.379) 1.606 42.823 ( 10.308 8.812 1.263) 13.620 42.948 ( 9.924 7.421 -3.205) 12.799 43.245 ( 1.210 3.941 1.251) 4.308 43.268 ( 18.331 6.825 3.451) 19.863 43.502 ( 7.638 -6.445 1.270) 10.074 43.692 ( -4.775 1.864 -7.214) 8.850 44.472 ( -32.786 8.757 6.826) 34.616 44.561 ( -27.097 -4.651 2.481) 27.605 ======================= Grid point 229 (80/120) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -6.315 6.307 3.718) 9.669 2.622 ( 6.315 6.307 3.718) 9.669 2.708 ( -9.914 6.572 -0.216) 11.896 2.708 ( 9.914 6.572 -0.216) 11.896 2.937 ( -7.031 6.297 -0.073) 9.439 2.937 ( 7.031 6.297 -0.073) 9.439 3.311 ( -8.444 2.135 -15.481) 17.763 3.311 ( 8.444 2.135 -15.481) 17.763 4.204 ( -7.022 13.867 6.989) 17.042 4.204 ( 7.022 13.867 6.989) 17.042 4.473 ( -3.319 7.770 -2.833) 8.911 4.473 ( 3.319 7.770 -2.833) 8.911 4.774 ( -0.371 4.919 4.361) 6.585 4.774 ( 0.371 4.919 4.361) 6.585 5.085 ( -2.418 -2.469 -1.473) 3.756 5.085 ( 2.418 -2.469 -1.473) 3.756 5.379 ( -0.706 -2.698 7.500) 8.002 5.379 ( 0.706 -2.698 7.500) 8.002 5.533 ( -1.263 -5.621 0.496) 5.782 5.533 ( 1.263 -5.621 0.496) 5.782 5.754 ( -18.206 -0.658 2.482) 18.386 5.754 ( 18.206 -0.658 2.482) 18.386 6.055 ( -11.074 -4.817 -8.370) 14.693 6.055 ( 11.074 -4.817 -8.370) 14.693 6.214 ( -1.248 11.956 2.334) 12.245 6.214 ( 1.248 11.956 2.334) 12.245 6.363 ( -1.824 9.181 -0.354) 9.367 6.363 ( 1.824 9.181 -0.354) 9.367 6.788 ( -7.182 7.283 3.683) 10.871 6.788 ( 7.182 7.283 3.683) 10.871 6.968 ( -7.691 1.419 -1.144) 7.904 6.968 ( 7.691 1.419 -1.144) 7.904 7.420 ( -3.024 -4.746 0.417) 5.643 7.420 ( 3.024 -4.746 0.417) 5.643 7.536 ( -1.691 -3.565 -3.811) 5.486 7.536 ( 1.691 -3.565 -3.811) 5.486 20.104 ( -0.860 0.254 -0.716) 1.147 20.104 ( 0.860 0.254 -0.716) 1.147 20.174 ( -0.265 -0.094 -0.470) 0.548 20.174 ( 0.265 -0.094 -0.470) 0.548 20.297 ( -1.047 2.914 2.036) 3.706 20.297 ( 1.047 2.914 2.036) 3.706 20.359 ( -1.104 0.811 -1.218) 1.834 20.359 ( 1.104 0.811 -1.218) 1.834 25.029 ( -8.223 -0.258 -0.025) 8.227 25.029 ( 8.223 -0.258 -0.025) 8.227 25.043 ( -7.970 -0.833 -0.411) 8.024 25.043 ( 7.970 -0.833 -0.411) 8.024 31.767 ( -0.311 -0.952 0.353) 1.062 31.767 ( 0.311 -0.952 0.353) 1.062 31.800 ( -0.198 -1.642 -0.373) 1.695 31.800 ( 0.198 -1.642 -0.373) 1.695 43.001 ( -5.700 6.479 -1.452) 8.750 43.001 ( 5.700 6.479 -1.452) 8.750 43.334 ( -9.427 8.163 -1.950) 12.622 43.334 ( 9.427 8.163 -1.950) 12.622 43.803 ( -22.477 3.364 6.785) 23.719 43.803 ( 22.477 3.364 6.785) 23.719 44.024 ( -19.618 -3.608 -0.233) 19.949 44.024 ( 19.618 -3.608 -0.233) 19.949 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 17.727 11.943) 21.375 2.525 ( 0.000 12.323 5.205) 13.378 2.714 ( 0.000 5.436 -6.988) 8.854 2.916 ( 0.000 3.371 -11.360) 11.849 3.172 ( 0.000 0.500 -2.748) 2.793 3.354 ( 0.000 -10.644 -8.559) 13.658 3.530 ( 0.000 -4.826 0.978) 4.924 3.665 ( 0.000 2.201 1.182) 2.498 3.725 ( 0.000 -4.557 -4.185) 6.187 3.815 ( 0.000 -10.441 -8.034) 13.174 4.294 ( 0.000 12.346 8.117) 14.776 4.488 ( 0.000 -3.468 3.261) 4.760 4.541 ( 0.000 8.866 -0.535) 8.883 4.668 ( 0.000 8.531 2.664) 8.937 4.846 ( 0.000 -2.634 -1.049) 2.835 4.894 ( 0.000 8.504 1.772) 8.687 4.954 ( 0.000 -1.905 0.018) 1.906 5.072 ( 0.000 -0.093 -8.029) 8.029 5.224 ( 0.000 4.530 7.415) 8.689 5.289 ( 0.000 0.826 5.378) 5.441 5.320 ( 0.000 1.903 2.400) 3.063 5.479 ( 0.000 -2.480 -0.662) 2.567 5.984 ( 0.000 4.021 -2.212) 4.589 6.071 ( 0.000 -0.462 -6.701) 6.717 6.469 ( 0.000 12.785 2.870) 13.103 6.537 ( 0.000 9.018 0.505) 9.032 6.696 ( 0.000 -4.833 3.026) 5.702 6.712 ( 0.000 -2.731 5.329) 5.988 6.934 ( 0.000 4.565 1.539) 4.818 6.940 ( 0.000 0.293 -2.036) 2.057 7.114 ( 0.000 7.511 8.495) 11.339 7.454 ( 0.000 -2.119 0.810) 2.269 7.584 ( 0.000 -0.789 -1.623) 1.805 7.725 ( 0.000 -11.655 -13.069) 17.511 7.746 ( 0.000 3.006 1.364) 3.301 7.812 ( 0.000 0.128 -2.118) 2.122 20.051 ( 0.000 -0.010 -1.025) 1.025 20.096 ( 0.000 -2.282 -2.541) 3.415 20.218 ( 0.000 0.394 -0.284) 0.486 20.229 ( 0.000 -0.098 -0.642) 0.650 20.303 ( 0.000 2.318 1.170) 2.596 20.331 ( 0.000 1.484 -0.335) 1.522 20.388 ( 0.000 0.882 1.558) 1.790 20.393 ( 0.000 1.243 1.814) 2.199 24.393 ( 0.000 -0.030 0.074) 0.080 24.397 ( 0.000 -0.187 -0.072) 0.201 25.479 ( 0.000 -0.004 0.064) 0.065 25.483 ( 0.000 -0.205 -0.119) 0.237 31.733 ( 0.000 -0.451 0.721) 0.851 31.753 ( 0.000 -1.308 -0.171) 1.319 31.798 ( 0.000 -0.807 0.188) 0.829 31.804 ( 0.000 -1.103 -0.099) 1.108 42.473 ( 0.000 5.809 3.445) 6.754 42.553 ( 0.000 0.817 -0.283) 0.865 42.702 ( 0.000 0.302 3.787) 3.799 42.793 ( 0.000 -2.218 1.834) 2.878 43.680 ( 0.000 5.673 -2.833) 6.341 44.037 ( 0.000 -8.715 -18.150) 20.133 45.671 ( 0.000 5.521 12.581) 13.740 45.920 ( 0.000 -4.687 0.031) 4.687 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 4.175 15.954 10.029) 19.301 2.549 ( 2.145 10.580 4.289) 11.616 2.703 ( -0.763 5.926 -6.333) 8.707 2.943 ( 2.463 2.580 -12.394) 12.897 3.163 ( -1.031 1.219 -2.901) 3.311 3.326 ( -2.732 -8.789 -8.064) 12.237 3.526 ( -2.139 -3.236 0.813) 3.963 3.560 ( -4.569 -0.652 -0.682) 4.666 3.813 ( 7.096 -2.774 0.556) 7.640 3.949 ( 8.878 -8.330 -5.491) 13.355 4.345 ( 4.844 12.930 7.355) 15.645 4.518 ( 3.883 -1.227 2.686) 4.878 4.567 ( 2.555 9.457 -0.496) 9.808 4.721 ( 4.933 7.586 -0.235) 9.052 4.873 ( 2.765 -3.906 -0.044) 4.785 4.927 ( 2.702 7.705 2.221) 8.462 4.992 ( 2.958 -0.559 0.705) 3.092 5.077 ( 1.167 0.983 -5.419) 5.630 5.279 ( 1.499 3.703 5.772) 7.019 5.298 ( 3.177 -1.701 3.378) 4.940 5.349 ( 2.696 0.094 1.338) 3.011 5.457 ( -1.751 -4.493 0.188) 4.826 6.013 ( 2.773 3.846 -1.606) 5.006 6.094 ( 2.401 -0.245 -5.907) 6.381 6.468 ( -0.164 12.369 2.781) 12.679 6.532 ( -0.453 9.100 0.411) 9.121 6.655 ( -3.768 -2.804 2.488) 5.315 6.696 ( -2.399 -4.043 2.774) 5.458 6.900 ( -3.228 1.394 -0.553) 3.559 6.919 ( -1.327 4.002 1.426) 4.451 7.096 ( -1.477 7.262 8.601) 11.353 7.412 ( -3.792 -1.833 0.943) 4.316 7.547 ( -3.453 -0.418 -1.822) 3.926 7.679 ( -4.047 -7.562 -10.902) 13.872 7.720 ( -2.617 -0.647 -0.278) 2.710 7.774 ( -3.498 0.112 -1.736) 3.907 20.056 ( 0.452 0.036 -0.957) 1.059 20.100 ( 0.402 -2.186 -2.480) 3.331 20.206 ( -1.009 0.276 -0.403) 1.121 20.217 ( -0.978 -0.140 -0.726) 1.226 20.312 ( 0.710 2.415 1.252) 2.811 20.338 ( 0.594 1.681 -0.160) 1.790 20.386 ( -0.336 1.200 1.697) 2.105 20.390 ( -0.075 0.858 1.456) 1.692 24.451 ( 5.291 -0.172 -0.005) 5.294 24.452 ( 5.127 -0.187 -0.048) 5.131 25.450 ( -2.805 0.007 0.073) 2.806 25.455 ( -2.761 -0.220 -0.140) 2.773 31.735 ( 0.206 -0.436 0.699) 0.849 31.755 ( 0.180 -1.275 -0.187) 1.301 31.793 ( -0.481 -0.748 0.200) 0.912 31.799 ( -0.424 -1.037 -0.087) 1.123 42.556 ( 7.662 6.139 3.344) 10.372 42.626 ( 6.489 1.061 -0.030) 6.575 42.755 ( 5.566 0.335 3.490) 6.578 42.845 ( 5.032 -2.305 1.403) 5.710 43.640 ( -3.745 5.372 -2.540) 7.024 43.984 ( -4.899 -8.389 -17.251) 19.798 45.523 ( -13.737 5.344 11.630) 18.776 45.735 ( -17.046 -2.743 0.899) 17.288 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 6.462 11.863 6.327) 14.917 2.607 ( 3.143 5.083 1.173) 6.090 2.700 ( 0.977 8.699 -3.450) 9.409 3.009 ( 3.359 -0.622 -13.736) 14.155 3.123 ( -2.717 2.508 -2.424) 4.422 3.242 ( -4.986 -3.403 -6.736) 9.046 3.388 ( -8.806 2.249 2.561) 9.442 3.509 ( -3.183 -2.849 -4.745) 6.385 4.019 ( 11.957 -2.429 4.318) 12.942 4.129 ( 8.542 -3.619 -0.507) 9.291 4.465 ( 5.035 15.182 7.463) 17.650 4.646 ( 4.751 10.926 -2.215) 12.118 4.687 ( 11.318 1.455 2.849) 11.762 4.879 ( 9.360 3.766 -5.243) 11.370 4.957 ( 3.829 -2.501 1.080) 4.699 4.987 ( 3.906 3.840 3.539) 6.522 5.044 ( 2.092 0.642 2.683) 3.462 5.133 ( 4.121 3.238 -3.838) 6.496 5.294 ( -0.001 -0.035 5.478) 5.479 5.321 ( -0.639 -3.851 4.597) 6.030 5.417 ( 1.245 -3.847 0.024) 4.044 5.481 ( 6.058 -9.811 -3.549) 12.064 6.101 ( 5.339 4.227 -0.249) 6.814 6.181 ( 5.723 0.187 -4.355) 7.194 6.443 ( -4.240 7.552 3.004) 9.167 6.514 ( -1.935 8.231 0.648) 8.480 6.542 ( -5.186 2.808 0.106) 5.899 6.582 ( -7.995 -4.039 -1.772) 9.130 6.847 ( -0.872 3.256 2.177) 4.012 6.890 ( -1.293 4.460 1.493) 4.877 7.068 ( -1.060 5.591 7.781) 9.640 7.303 ( -6.445 -1.251 1.070) 6.652 7.449 ( -5.406 0.498 -2.010) 5.789 7.571 ( -5.771 -3.889 -8.844) 11.253 7.639 ( -4.827 -2.753 -0.506) 5.580 7.673 ( -5.772 -0.176 -1.162) 5.891 20.069 ( 0.830 0.172 -0.845) 1.197 20.111 ( 0.566 -1.766 -2.302) 2.956 20.181 ( -1.308 0.044 -0.539) 1.415 20.194 ( -1.125 -0.420 -0.977) 1.548 20.328 ( 0.716 2.641 1.455) 3.100 20.352 ( 0.658 1.890 0.145) 2.006 20.376 ( -0.530 1.596 1.813) 2.473 20.390 ( -0.002 0.416 0.825) 0.924 24.602 ( 8.846 -0.174 0.000) 8.848 24.605 ( 9.001 -0.421 -0.155) 9.012 25.362 ( -5.549 -0.005 0.065) 5.550 25.367 ( -5.564 -0.243 -0.166) 5.572 31.741 ( 0.308 -0.386 0.639) 0.807 31.760 ( 0.254 -1.165 -0.225) 1.213 31.779 ( -0.684 -0.590 0.296) 0.951 31.789 ( -0.470 -1.000 -0.137) 1.114 42.760 ( 9.286 5.484 2.079) 10.983 42.799 ( 10.918 1.830 0.748) 11.096 42.970 ( 15.105 0.781 2.487) 15.328 43.015 ( 11.875 -1.276 1.338) 12.019 43.529 ( -6.553 4.403 -1.778) 8.092 43.839 ( -8.620 -7.456 -14.734) 18.628 45.120 ( -23.817 4.716 9.230) 25.974 45.247 ( -28.160 1.226 2.604) 28.307 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 9.092 7.443 4.089) 12.441 2.681 ( 4.205 1.467 -1.453) 4.684 2.744 ( 2.354 9.315 0.571) 9.625 2.990 ( -6.851 -1.677 -2.208) 7.391 3.093 ( -1.220 4.486 -8.016) 9.266 3.140 ( -4.605 0.629 -4.135) 6.221 3.218 ( -3.186 3.998 -5.943) 7.839 3.410 ( -5.810 -4.717 -10.865) 13.193 4.277 ( 11.130 3.263 5.670) 12.911 4.335 ( 11.773 0.198 4.966) 12.779 4.518 ( -0.205 15.259 8.032) 17.245 4.739 ( 2.412 12.513 -3.403) 13.190 4.856 ( -0.137 1.661 6.630) 6.836 4.932 ( -0.495 5.535 -0.956) 5.638 4.989 ( 1.852 2.529 -0.317) 3.151 5.093 ( 0.983 0.549 -1.151) 1.610 5.190 ( 8.871 -5.597 2.532) 10.790 5.286 ( 3.557 -7.860 6.451) 10.772 5.314 ( 6.884 -0.929 1.186) 7.047 5.356 ( 9.892 -0.332 0.137) 9.899 5.431 ( -0.117 -5.750 1.449) 5.931 5.642 ( 9.777 -10.515 -7.769) 16.325 6.131 ( -10.744 2.864 -0.735) 11.143 6.230 ( -9.126 -2.381 -4.739) 10.555 6.310 ( 1.620 3.598 3.103) 5.020 6.408 ( 1.620 -0.755 -1.110) 2.104 6.487 ( -1.580 8.844 1.162) 9.059 6.524 ( -0.385 6.943 -0.450) 6.969 6.860 ( 1.342 5.589 1.788) 6.019 6.885 ( 1.954 3.637 1.086) 4.269 7.032 ( -3.159 4.137 4.790) 7.074 7.152 ( -7.627 -0.563 0.556) 7.668 7.355 ( -2.342 0.836 -1.298) 2.805 7.456 ( -4.860 -0.497 -4.866) 6.896 7.535 ( -4.494 -3.841 -1.205) 6.034 7.553 ( -5.010 -0.636 -1.072) 5.162 20.089 ( 1.037 0.395 -0.852) 1.399 20.121 ( 0.165 -0.550 -1.946) 2.029 20.157 ( -0.787 -0.733 -0.685) 1.275 20.172 ( -0.955 -0.893 -1.208) 1.780 20.342 ( 0.569 2.686 1.643) 3.200 20.361 ( -0.139 2.043 1.313) 2.433 20.370 ( 0.281 1.488 0.754) 1.691 20.388 ( -0.216 0.484 0.434) 0.685 24.808 ( 10.454 -0.157 0.011) 10.455 24.813 ( 10.457 -0.499 -0.222) 10.471 25.218 ( -8.091 -0.080 0.020) 8.091 25.222 ( -8.141 -0.279 -0.171) 8.148 31.747 ( 0.326 -0.311 0.554) 0.715 31.763 ( -0.222 -0.506 0.069) 0.557 31.769 ( -0.055 -1.003 0.083) 1.007 31.780 ( -0.373 -1.047 -0.208) 1.130 42.937 ( 8.485 3.998 0.818) 9.415 43.046 ( 10.769 1.502 -3.411) 11.396 43.309 ( 7.312 2.809 2.688) 8.282 43.370 ( 17.030 -1.077 5.346) 17.882 43.425 ( 8.797 4.208 -2.593) 10.091 43.654 ( -6.045 -5.311 -10.152) 12.954 44.562 ( -28.285 3.455 6.305) 29.184 44.606 ( -31.670 4.161 3.691) 32.155 ======================= Grid point 238 (85/120) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -5.283 4.690 3.523) 7.894 2.730 ( 5.283 4.690 3.523) 7.894 2.802 ( -8.396 2.448 -0.621) 8.768 2.802 ( 8.396 2.448 -0.621) 8.768 3.060 ( -1.185 6.464 -4.213) 7.806 3.060 ( 1.185 6.464 -4.213) 7.806 3.285 ( -5.710 -3.811 -14.145) 15.723 3.285 ( 5.710 -3.811 -14.145) 15.723 4.454 ( -5.819 10.811 7.527) 14.401 4.454 ( 5.819 10.811 7.527) 14.401 4.603 ( -12.252 3.805 5.142) 13.821 4.603 ( 12.252 3.805 5.142) 13.821 4.888 ( -3.578 7.224 0.694) 8.092 4.888 ( 3.578 7.224 0.694) 8.092 5.058 ( -3.199 -0.401 -2.678) 4.191 5.058 ( 3.199 -0.401 -2.678) 4.191 5.300 ( -2.357 -4.562 5.777) 7.729 5.300 ( 2.357 -4.562 5.777) 7.729 5.391 ( -3.698 -8.222 1.773) 9.189 5.391 ( 3.698 -8.222 1.773) 9.189 5.760 ( -19.895 1.482 -0.984) 19.975 5.760 ( 19.895 1.482 -0.984) 19.975 5.923 ( -15.290 -6.844 -6.782) 18.072 5.923 ( 15.290 -6.844 -6.782) 18.072 6.417 ( -4.711 7.634 2.542) 9.324 6.417 ( 4.711 7.634 2.542) 9.324 6.499 ( -2.712 3.943 -0.676) 4.833 6.499 ( 2.712 3.943 -0.676) 4.833 6.915 ( -3.459 5.199 2.047) 6.572 6.915 ( 3.459 5.199 2.047) 6.572 7.001 ( -5.360 1.155 0.012) 5.483 7.001 ( 5.360 1.155 0.012) 5.483 7.370 ( -3.089 0.468 -0.988) 3.276 7.370 ( 3.089 0.468 -0.988) 3.276 7.488 ( -0.617 -2.207 -1.760) 2.889 7.488 ( 0.617 -2.207 -1.760) 2.889 20.111 ( -0.933 0.585 -1.136) 1.582 20.111 ( 0.933 0.585 -1.136) 1.582 20.155 ( -0.540 -1.418 -1.211) 1.942 20.155 ( 0.540 -1.418 -1.211) 1.942 20.353 ( -0.485 2.425 1.749) 3.029 20.353 ( 0.485 2.425 1.749) 3.029 20.380 ( -0.487 0.929 0.296) 1.090 20.380 ( 0.487 0.929 0.296) 1.090 25.026 ( -7.186 -0.103 -0.054) 7.187 25.026 ( 7.186 -0.103 -0.054) 7.187 25.031 ( -7.145 -0.426 -0.145) 7.159 25.031 ( 7.145 -0.426 -0.145) 7.159 31.755 ( -0.375 -0.265 0.448) 0.642 31.755 ( 0.375 -0.265 0.448) 0.642 31.773 ( -0.279 -1.121 -0.217) 1.176 31.773 ( 0.279 -1.121 -0.217) 1.176 43.109 ( -6.637 5.297 -1.742) 8.668 43.109 ( 6.637 5.297 -1.742) 8.668 43.354 ( -8.612 -4.959 -3.470) 10.527 43.354 ( 8.612 -4.959 -3.470) 10.527 43.898 ( -5.482 6.315 3.232) 8.965 43.898 ( 5.482 6.315 3.232) 8.965 44.019 ( -3.037 0.947 3.436) 4.683 44.019 ( 3.037 0.947 3.436) 4.683 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 -11.277 6.857) 13.198 2.523 ( 0.000 11.277 6.857) 13.198 2.871 ( 0.000 -8.791 -5.001) 10.114 2.871 ( 0.000 8.791 -5.001) 10.114 3.208 ( 0.000 -3.149 -7.738) 8.354 3.208 ( 0.000 3.149 -7.738) 8.354 3.558 ( 0.000 -7.860 -5.935) 9.849 3.558 ( 0.000 7.860 -5.935) 9.849 3.709 ( 0.000 -2.711 -0.795) 2.825 3.709 ( 0.000 2.711 -0.795) 2.825 4.423 ( 0.000 -3.643 5.402) 6.516 4.423 ( 0.000 3.643 5.402) 6.516 4.696 ( 0.000 -6.093 0.835) 6.150 4.696 ( 0.000 6.093 0.835) 6.150 4.888 ( 0.000 -5.281 -2.296) 5.759 4.888 ( 0.000 5.281 -2.296) 5.759 5.010 ( 0.000 -4.451 -1.981) 4.872 5.010 ( 0.000 4.451 -1.981) 4.872 5.321 ( 0.000 -1.546 5.074) 5.304 5.321 ( 0.000 1.546 5.074) 5.304 5.378 ( 0.000 -8.448 6.465) 10.638 5.378 ( 0.000 8.448 6.465) 10.638 6.043 ( 0.000 -2.228 -5.031) 5.502 6.043 ( 0.000 2.228 -5.031) 5.502 6.602 ( 0.000 -0.901 2.902) 3.038 6.602 ( 0.000 0.901 2.902) 3.038 6.667 ( 0.000 -0.624 0.770) 0.991 6.667 ( 0.000 0.624 0.770) 0.991 6.953 ( 0.000 -0.526 0.429) 0.678 6.953 ( 0.000 0.526 0.429) 0.678 7.335 ( 0.000 -11.055 4.629) 11.985 7.335 ( 0.000 11.055 4.629) 11.985 7.582 ( 0.000 -1.857 -8.123) 8.332 7.582 ( 0.000 1.857 -8.123) 8.332 7.797 ( 0.000 -1.776 -0.338) 1.808 7.797 ( 0.000 1.776 -0.338) 1.808 20.062 ( 0.000 -1.145 -2.031) 2.332 20.062 ( 0.000 1.145 -2.031) 2.332 20.224 ( 0.000 -0.303 -0.518) 0.600 20.224 ( 0.000 0.303 -0.518) 0.600 20.335 ( 0.000 -0.820 0.362) 0.897 20.335 ( 0.000 0.820 0.362) 0.897 20.404 ( 0.000 -0.237 2.049) 2.062 20.404 ( 0.000 0.237 2.049) 2.062 24.394 ( 0.000 -0.083 0.001) 0.083 24.394 ( 0.000 0.083 0.001) 0.083 25.480 ( 0.000 -0.103 -0.023) 0.105 25.480 ( 0.000 0.103 -0.023) 0.105 31.734 ( 0.000 -0.560 0.335) 0.652 31.734 ( 0.000 0.560 0.335) 0.652 31.791 ( 0.000 -0.157 0.037) 0.161 31.791 ( 0.000 0.157 0.037) 0.161 42.541 ( 0.000 -1.711 1.098) 2.032 42.541 ( 0.000 1.711 1.098) 2.032 42.742 ( 0.000 -2.950 4.434) 5.326 42.742 ( 0.000 2.950 4.434) 5.326 43.838 ( 0.000 -10.027 -11.836) 15.512 43.838 ( 0.000 10.027 -11.836) 15.512 45.805 ( 0.000 -6.955 6.390) 9.444 45.805 ( 0.000 6.955 6.390) 9.444 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 1.075 -9.712 5.171) 11.055 2.535 ( 1.075 9.712 5.171) 11.055 2.883 ( 0.961 -9.295 -5.933) 11.069 2.883 ( 0.961 9.295 -5.933) 11.069 3.199 ( -0.906 -3.025 -7.110) 7.780 3.199 ( -0.906 3.025 -7.110) 7.780 3.528 ( -2.042 -2.473 -2.149) 3.861 3.528 ( -2.042 2.473 -2.149) 3.861 3.812 ( 8.160 -3.644 -1.430) 9.051 3.812 ( 8.160 3.644 -1.430) 9.051 4.478 ( 5.849 -3.122 4.621) 8.082 4.478 ( 5.849 3.122 4.621) 8.082 4.736 ( 3.568 -7.097 0.684) 7.973 4.736 ( 3.568 7.097 0.684) 7.973 4.915 ( 2.087 -6.417 -3.410) 7.560 4.915 ( 2.087 6.417 -3.410) 7.560 5.049 ( 3.744 -3.074 -0.576) 4.878 5.049 ( 3.744 3.074 -0.576) 4.878 5.332 ( 0.663 -2.756 4.456) 5.281 5.332 ( 0.663 2.757 4.456) 5.281 5.353 ( -2.137 -5.301 5.760) 8.114 5.353 ( -2.137 5.301 5.760) 8.114 6.070 ( 2.745 -2.114 -4.481) 5.664 6.070 ( 2.745 2.114 -4.481) 5.664 6.594 ( -1.071 -1.439 2.915) 3.423 6.594 ( -1.071 1.439 2.915) 3.423 6.647 ( -2.148 -0.969 -0.008) 2.356 6.647 ( -2.148 0.969 -0.008) 2.356 6.927 ( -2.071 -1.062 0.897) 2.494 6.927 ( -2.071 1.062 0.897) 2.494 7.307 ( -2.591 -10.170 4.664) 11.485 7.307 ( -2.591 10.170 4.664) 11.485 7.550 ( -2.891 -2.081 -7.843) 8.614 7.550 ( -2.891 2.081 -7.843) 8.614 7.759 ( -3.543 -1.718 -0.285) 3.948 7.759 ( -3.543 1.718 -0.285) 3.948 20.068 ( 0.494 -1.145 -1.954) 2.318 20.068 ( 0.494 1.145 -1.954) 2.318 20.212 ( -1.068 -0.307 -0.655) 1.290 20.212 ( -1.068 0.307 -0.655) 1.290 20.344 ( 0.792 -0.792 0.495) 1.225 20.344 ( 0.792 0.792 0.495) 1.225 20.401 ( -0.246 -0.144 1.954) 1.975 20.401 ( -0.246 0.144 1.954) 1.975 24.450 ( 5.155 -0.036 -0.012) 5.155 24.450 ( 5.155 0.036 -0.012) 5.155 25.451 ( -2.785 -0.122 -0.027) 2.788 25.451 ( -2.785 0.122 -0.027) 2.788 31.737 ( 0.215 -0.553 0.316) 0.673 31.737 ( 0.215 0.553 0.316) 0.673 31.787 ( -0.398 -0.159 0.050) 0.432 31.787 ( -0.398 0.159 0.050) 0.432 42.622 ( 7.319 -1.342 0.996) 7.507 42.622 ( 7.319 1.342 0.996) 7.507 42.795 ( 5.282 -2.927 4.274) 7.398 42.795 ( 5.282 2.927 4.274) 7.398 43.792 ( -4.291 -9.711 -11.269) 15.482 43.792 ( -4.291 9.711 -11.269) 15.482 45.647 ( -14.678 -6.052 6.242) 17.060 45.647 ( -14.678 6.052 6.242) 17.060 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 2.630 -6.646 2.318) 7.514 2.571 ( 2.630 6.646 2.318) 7.514 2.906 ( 1.153 -9.539 -6.526) 11.615 2.906 ( 1.153 9.539 -6.526) 11.615 3.168 ( -1.949 -2.917 -5.710) 6.702 3.168 ( -1.949 2.917 -5.710) 6.702 3.456 ( -5.356 -3.406 -1.851) 6.612 3.456 ( -5.356 3.406 -1.851) 6.612 4.027 ( 12.292 -3.734 1.747) 12.965 4.027 ( 12.292 3.734 1.747) 12.965 4.671 ( 10.898 -4.345 5.272) 12.862 4.671 ( 10.898 4.345 5.272) 12.862 4.834 ( 5.333 -8.054 -0.477) 9.672 4.834 ( 5.333 8.054 -0.477) 9.672 4.968 ( 3.371 -5.046 -1.652) 6.289 4.968 ( 3.371 5.046 -1.652) 6.289 5.139 ( 2.872 -5.168 0.504) 5.933 5.139 ( 2.872 5.168 0.504) 5.933 5.300 ( -0.495 -5.451 0.730) 5.522 5.300 ( -0.495 5.451 0.730) 5.522 5.351 ( 0.452 -1.940 3.940) 4.415 5.351 ( 0.452 1.940 3.940) 4.415 6.163 ( 5.873 -2.072 -3.078) 6.947 6.163 ( 5.873 2.072 -3.078) 6.947 6.501 ( -8.731 -2.287 0.408) 9.035 6.501 ( -8.731 2.287 0.408) 9.035 6.607 ( -0.962 -0.264 1.053) 1.451 6.607 ( -0.962 0.264 1.053) 1.451 6.894 ( -0.478 -1.638 1.433) 2.228 6.894 ( -0.478 1.638 1.433) 2.228 7.232 ( -4.460 -7.169 4.418) 9.529 7.232 ( -4.460 7.169 4.418) 9.529 7.473 ( -3.969 -3.056 -6.684) 8.353 7.473 ( -3.969 3.056 -6.684) 8.353 7.655 ( -5.999 -1.637 -0.228) 6.223 7.655 ( -5.999 1.637 -0.228) 6.223 20.082 ( 0.884 -1.102 -1.765) 2.261 20.082 ( 0.884 1.102 -1.765) 2.261 20.185 ( -1.378 -0.393 -0.915) 1.700 20.185 ( -1.378 0.393 -0.915) 1.700 20.362 ( 0.806 -0.760 0.749) 1.337 20.362 ( 0.806 0.760 0.749) 1.337 20.395 ( -0.304 -0.228 1.719) 1.761 20.395 ( -0.304 0.228 1.719) 1.761 24.600 ( 8.884 -0.058 -0.040) 8.884 24.600 ( 8.884 0.058 -0.040) 8.884 25.363 ( -5.571 -0.135 -0.039) 5.573 25.363 ( -5.571 0.135 -0.039) 5.573 31.743 ( 0.330 -0.537 0.268) 0.685 31.743 ( 0.330 0.537 0.268) 0.685 31.776 ( -0.538 -0.255 0.082) 0.601 31.776 ( -0.538 0.255 0.082) 0.601 42.810 ( 9.485 -1.136 0.439) 9.563 42.810 ( 9.485 1.136 0.439) 9.563 42.994 ( 14.493 -1.770 4.210) 15.196 42.994 ( 14.493 1.770 4.210) 15.196 43.665 ( -7.503 -8.871 -9.805) 15.203 43.665 ( -7.503 8.871 -9.805) 15.203 45.218 ( -25.299 -3.953 5.729) 26.239 45.218 ( -25.299 3.953 5.729) 26.239 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 5.769 -3.700 1.413) 6.998 2.658 ( 5.769 3.700 1.413) 6.998 2.908 ( -2.127 -6.660 -2.909) 7.572 2.908 ( -2.127 6.660 -2.909) 7.572 3.135 ( -0.165 -1.001 -6.508) 6.587 3.135 ( -0.165 1.001 -6.508) 6.587 3.315 ( -7.208 -5.041 -7.139) 11.328 3.315 ( -7.208 5.041 -7.139) 11.328 4.314 ( 14.350 -1.615 5.570) 15.478 4.314 ( 14.350 1.615 5.570) 15.478 4.783 ( -3.034 -9.323 9.067) 13.354 4.783 ( -3.034 9.323 9.067) 13.354 4.933 ( 4.630 -4.952 -1.914) 7.044 4.933 ( 4.630 4.952 -1.914) 7.044 5.084 ( 1.605 -1.864 -2.396) 3.434 5.084 ( 1.605 1.864 -2.396) 3.434 5.135 ( 3.806 -4.974 4.174) 7.527 5.135 ( 3.806 4.974 4.174) 7.527 5.327 ( -1.473 -3.034 2.761) 4.358 5.327 ( -1.473 3.034 2.761) 4.358 5.452 ( 13.180 -7.938 -5.034) 16.188 5.452 ( 13.180 7.938 -5.034) 16.188 6.178 ( -12.805 -2.443 -2.724) 13.317 6.178 ( -12.805 2.443 -2.724) 13.317 6.374 ( 5.036 -2.597 0.341) 5.677 6.374 ( 5.036 2.597 0.341) 5.677 6.584 ( -1.680 -0.953 1.287) 2.321 6.584 ( -1.680 0.953 1.287) 2.321 6.911 ( 2.071 -0.806 1.037) 2.452 6.911 ( 2.071 0.806 1.037) 2.452 7.119 ( -6.257 -3.192 2.763) 7.548 7.119 ( -6.257 3.192 2.763) 7.548 7.409 ( -1.433 -4.121 -3.915) 5.862 7.409 ( -1.433 4.121 -3.915) 5.862 7.525 ( -5.913 -2.009 -0.442) 6.261 7.525 ( -5.913 2.009 -0.442) 6.261 20.104 ( 1.121 -0.967 -1.551) 2.144 20.104 ( 1.121 0.967 -1.551) 2.144 20.156 ( -1.352 -0.558 -1.156) 1.864 20.156 ( -1.352 0.558 -1.156) 1.864 20.376 ( 0.508 -0.723 0.994) 1.330 20.376 ( 0.508 0.723 0.994) 1.330 20.389 ( -0.241 -0.502 1.448) 1.552 20.389 ( -0.241 0.502 1.448) 1.552 24.808 ( 10.467 -0.098 -0.061) 10.467 24.808 ( 10.467 0.098 -0.061) 10.467 25.218 ( -8.150 -0.112 -0.055) 8.151 25.218 ( -8.150 0.112 -0.055) 8.151 31.750 ( 0.345 -0.512 0.210) 0.652 31.750 ( 0.345 0.512 0.210) 0.652 31.766 ( -0.459 -0.383 0.118) 0.609 31.766 ( -0.459 0.383 0.118) 0.609 43.012 ( 9.930 -3.636 -0.946) 10.617 43.012 ( 9.930 3.636 -0.946) 10.617 43.348 ( 10.134 -1.066 3.328) 10.719 43.348 ( 10.134 1.066 3.328) 10.719 43.536 ( 3.758 -5.940 -6.312) 9.447 43.536 ( 3.758 5.940 -6.312) 9.447 44.627 ( -29.937 -1.814 4.776) 30.369 44.627 ( -29.937 1.814 4.776) 30.369 ======================= Grid point 251 (90/120) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -6.976 -2.170 1.568) 7.472 2.801 ( -6.036 1.286 1.568) 6.367 2.801 ( 6.036 -1.286 1.568) 6.367 2.801 ( 6.976 2.171 1.568) 7.472 3.185 ( -3.689 -5.859 -9.844) 12.035 3.185 ( 1.399 -5.605 -9.844) 11.413 3.185 ( -1.399 5.605 -9.844) 11.413 3.185 ( 3.689 5.859 -9.844) 12.035 4.601 ( -12.297 -3.892 8.388) 15.386 4.601 ( -12.279 3.878 8.388) 15.368 4.601 ( 12.279 -3.878 8.388) 15.368 4.601 ( 12.297 3.892 8.388) 15.386 5.026 ( -3.435 -4.707 -2.410) 6.306 5.026 ( 2.029 -4.498 -2.410) 5.491 5.026 ( -2.029 4.498 -2.410) 5.491 5.026 ( 3.435 4.707 -2.410) 6.306 5.262 ( -4.697 -2.784 3.240) 6.349 5.262 ( 3.316 -2.233 3.240) 5.146 5.262 ( -3.316 2.233 3.240) 5.146 5.262 ( 4.697 2.784 3.240) 6.349 5.814 ( -19.009 -4.071 -3.942) 19.836 5.814 ( -18.748 3.755 -3.942) 19.522 5.814 ( 18.748 -3.755 -3.942) 19.522 5.814 ( 19.009 4.071 -3.942) 19.836 6.513 ( -5.475 -2.255 1.046) 6.013 6.513 ( -4.530 1.649 1.046) 4.933 6.513 ( 4.530 -1.649 1.046) 4.933 6.513 ( 5.475 2.255 1.046) 6.013 6.988 ( -4.837 -2.102 1.043) 5.377 6.988 ( -2.952 -0.865 1.043) 3.248 6.988 ( 2.952 0.865 1.043) 3.248 6.988 ( 4.837 2.102 1.043) 5.377 7.427 ( -2.721 -3.900 -1.390) 4.954 7.427 ( 1.775 -3.761 -1.390) 4.385 7.427 ( -1.775 3.761 -1.390) 4.385 7.427 ( 2.721 3.900 -1.390) 4.954 20.129 ( -1.046 -1.142 -1.357) 2.059 20.129 ( 0.187 -1.020 -1.357) 1.707 20.129 ( -0.187 1.020 -1.357) 1.707 20.129 ( 1.046 1.142 -1.357) 2.059 20.384 ( -0.269 -0.685 1.213) 1.419 20.384 ( 0.261 -0.685 1.213) 1.417 20.384 ( -0.261 0.685 1.213) 1.417 20.384 ( 0.269 0.685 1.213) 1.419 25.026 ( -10.015 -0.094 -0.065) 10.016 25.026 ( -10.015 0.090 -0.065) 10.016 25.026 ( 10.015 -0.090 -0.065) 10.016 25.026 ( 10.015 0.094 -0.065) 10.016 31.757 ( -0.353 -0.493 0.158) 0.627 31.757 ( 0.317 -0.487 0.158) 0.602 31.757 ( -0.317 0.487 0.158) 0.602 31.757 ( 0.353 0.493 0.158) 0.627 43.226 ( -9.320 -6.404 -2.770) 11.642 43.226 ( -0.086 -4.393 -2.770) 5.194 43.226 ( 0.086 4.393 -2.770) 5.194 43.226 ( 9.320 6.404 -2.770) 11.642 44.001 ( -27.931 -1.021 3.241) 28.137 44.001 ( -27.871 -0.462 3.241) 28.063 44.001 ( 27.871 0.462 3.241) 28.063 44.001 ( 27.931 1.021 3.241) 28.137 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 0.000 -28.981) 28.981 1.448 ( 0.000 0.000 28.981) 28.981 1.701 ( 0.000 0.000 -27.144) 27.144 1.701 ( 0.000 0.000 27.144) 27.144 3.175 ( 0.000 0.000 -41.272) 41.272 3.175 ( 0.000 0.000 41.272) 41.272 3.546 ( 0.000 0.000 -1.276) 1.276 3.546 ( 0.000 0.000 1.276) 1.276 3.749 ( 0.000 0.000 -13.991) 13.991 3.749 ( 0.000 0.000 13.991) 13.991 3.925 ( 0.000 0.000 -1.748) 1.748 3.925 ( 0.000 0.000 1.748) 1.748 4.478 ( 0.000 0.000 -16.728) 16.728 4.478 ( 0.000 0.000 16.728) 16.728 4.823 ( 0.000 0.000 -4.844) 4.844 4.823 ( 0.000 0.000 4.844) 4.844 5.046 ( 0.000 0.000 -4.960) 4.960 5.046 ( 0.000 0.000 4.960) 4.960 5.131 ( 0.000 0.000 -4.111) 4.111 5.131 ( 0.000 0.000 4.111) 4.111 5.385 ( 0.000 0.000 -1.580) 1.580 5.385 ( 0.000 0.000 1.580) 1.580 5.681 ( 0.000 0.000 -2.978) 2.978 5.681 ( 0.000 0.000 2.978) 2.978 5.789 ( 0.000 0.000 -12.249) 12.249 5.789 ( 0.000 0.000 12.249) 12.249 5.852 ( 0.000 0.000 -1.486) 1.486 5.852 ( 0.000 0.000 1.486) 1.486 7.140 ( 0.000 0.000 -5.398) 5.398 7.140 ( 0.000 0.000 5.398) 5.398 7.289 ( 0.000 0.000 -9.195) 9.195 7.289 ( 0.000 0.000 9.195) 9.195 7.778 ( 0.000 0.000 -1.296) 1.296 7.778 ( 0.000 0.000 1.296) 1.296 8.313 ( 0.000 0.000 -18.293) 18.293 8.313 ( 0.000 0.000 18.293) 18.293 19.991 ( 0.000 0.000 -0.467) 0.467 19.991 ( 0.000 0.000 0.467) 0.467 20.133 ( 0.000 0.000 -1.162) 1.162 20.133 ( 0.000 0.000 1.162) 1.162 20.293 ( 0.000 0.000 -4.569) 4.569 20.293 ( 0.000 0.000 4.569) 4.569 20.420 ( 0.000 0.000 -1.937) 1.937 20.420 ( 0.000 0.000 1.937) 1.937 24.406 ( 0.000 0.000 -0.270) 0.270 24.406 ( 0.000 0.000 0.270) 0.270 25.492 ( 0.000 0.000 -0.381) 0.381 25.492 ( 0.000 0.000 0.381) 0.381 31.848 ( 0.000 0.000 -0.522) 0.522 31.848 ( 0.000 0.000 0.522) 0.522 31.893 ( 0.000 0.000 -0.497) 0.497 31.893 ( 0.000 0.000 0.497) 0.497 42.034 ( 0.000 0.000 -6.942) 6.942 42.034 ( 0.000 0.000 6.942) 6.942 43.091 ( 0.000 0.000 -0.727) 0.727 43.091 ( 0.000 0.000 0.727) 0.727 43.275 ( 0.000 0.000 -3.440) 3.440 43.275 ( 0.000 0.000 3.440) 3.440 46.357 ( 0.000 0.000 -3.355) 3.355 46.357 ( 0.000 0.000 3.355) 3.355 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 6.824 0.000 -26.746) 27.603 1.523 ( 6.824 0.000 26.746) 27.603 1.762 ( 5.353 0.000 -24.004) 24.594 1.762 ( 5.353 0.000 24.004) 24.594 3.221 ( 4.322 0.000 -36.313) 36.570 3.221 ( 4.322 0.000 36.313) 36.570 3.426 ( -9.622 0.000 -2.969) 10.070 3.426 ( -9.622 0.000 2.969) 10.070 3.619 ( -10.549 0.000 -15.156) 18.466 3.619 ( -10.549 0.000 15.156) 18.466 4.043 ( 9.298 0.000 -2.162) 9.546 4.043 ( 9.298 0.000 2.162) 9.546 4.520 ( 2.660 0.000 -13.119) 13.386 4.520 ( 2.660 0.000 13.119) 13.386 4.878 ( 4.964 0.000 -4.591) 6.761 4.878 ( 4.964 0.000 4.591) 6.761 5.117 ( 5.734 0.000 -4.710) 7.420 5.117 ( 5.734 0.000 4.710) 7.420 5.156 ( 2.284 0.000 -4.131) 4.720 5.156 ( 2.284 0.000 4.131) 4.720 5.437 ( 3.469 0.000 -1.130) 3.648 5.437 ( 3.469 0.000 1.130) 3.648 5.778 ( 10.094 0.000 -2.473) 10.392 5.778 ( 10.094 0.000 2.473) 10.392 5.787 ( -0.417 0.000 -11.890) 11.898 5.787 ( -0.417 0.000 11.890) 11.898 5.845 ( -0.270 0.000 -2.139) 2.156 5.845 ( -0.270 0.000 2.139) 2.156 7.073 ( -6.356 0.000 -5.336) 8.299 7.073 ( -6.356 0.000 5.336) 8.299 7.256 ( -3.044 0.000 -9.752) 10.216 7.256 ( -3.044 0.000 9.752) 10.216 7.768 ( -0.980 0.000 -2.039) 2.262 7.768 ( -0.980 0.000 2.039) 2.262 8.225 ( -7.856 0.000 -16.316) 18.109 8.225 ( -7.856 0.000 16.316) 18.109 19.997 ( 0.498 0.000 -0.513) 0.715 19.997 ( 0.498 0.000 0.513) 0.715 20.128 ( -0.505 0.000 -1.142) 1.249 20.128 ( -0.505 0.000 1.142) 1.249 20.294 ( 0.109 0.000 -4.640) 4.641 20.294 ( 0.109 0.000 4.640) 4.641 20.405 ( -1.273 0.000 -2.309) 2.637 20.405 ( -1.273 0.000 2.309) 2.637 24.473 ( 6.115 0.000 -0.576) 6.142 24.473 ( 6.115 0.000 0.576) 6.142 25.463 ( -2.733 0.000 -0.402) 2.762 25.463 ( -2.733 0.000 0.402) 2.762 31.844 ( -0.515 0.000 -0.344) 0.620 31.844 ( -0.515 0.000 0.344) 0.620 31.888 ( -0.361 0.000 -0.297) 0.468 31.888 ( -0.361 0.000 0.297) 0.468 42.079 ( 4.154 0.000 -6.868) 8.027 42.079 ( 4.154 0.000 6.868) 8.027 43.153 ( 5.972 0.000 -2.650) 6.534 43.153 ( 5.972 0.000 2.650) 6.534 43.226 ( -4.646 0.000 -3.689) 5.933 43.226 ( -4.646 0.000 3.689) 5.933 46.063 ( -25.726 0.000 -4.976) 26.203 46.063 ( -25.726 0.000 4.976) 26.203 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 11.028 0.000 -21.302) 23.988 1.716 ( 11.028 0.000 21.302) 23.988 1.914 ( 9.260 0.000 -16.951) 19.316 1.914 ( 9.260 0.000 16.951) 19.316 3.190 ( -12.331 0.000 -4.632) 13.172 3.190 ( -12.331 0.000 4.632) 13.172 3.211 ( -11.812 0.000 -9.520) 15.171 3.211 ( -11.812 0.000 9.520) 15.171 3.511 ( 7.179 0.000 -36.076) 36.783 3.511 ( 7.179 0.000 36.076) 36.783 4.255 ( 9.912 0.000 -2.195) 10.152 4.255 ( 9.912 0.000 2.195) 10.152 4.531 ( -2.541 0.000 -6.742) 7.205 4.531 ( -2.541 0.000 6.742) 7.205 5.015 ( 7.536 0.000 -4.115) 8.586 5.015 ( 7.536 0.000 4.115) 8.586 5.224 ( 4.020 0.000 -4.161) 5.785 5.224 ( 4.020 0.000 4.161) 5.785 5.253 ( 6.900 0.000 -1.330) 7.027 5.253 ( 6.900 0.000 1.330) 7.027 5.503 ( 3.075 0.000 -3.053) 4.333 5.503 ( 3.075 0.000 3.053) 4.333 5.756 ( -2.547 0.000 -8.238) 8.622 5.756 ( -2.547 0.000 8.238) 8.622 5.869 ( 3.029 0.000 -5.015) 5.859 5.869 ( 3.029 0.000 5.015) 5.859 6.078 ( 16.427 0.000 -7.778) 18.175 6.078 ( 16.427 0.000 7.778) 18.175 6.880 ( -11.741 0.000 -5.143) 12.818 6.880 ( -11.741 0.000 5.143) 12.818 7.168 ( -5.192 0.000 -10.885) 12.059 7.168 ( -5.192 0.000 10.885) 12.059 7.736 ( -2.185 0.000 -3.216) 3.887 7.736 ( -2.185 0.000 3.216) 3.887 8.021 ( -10.377 0.000 -12.004) 15.868 8.021 ( -10.377 0.000 12.004) 15.868 20.012 ( 0.918 0.000 -0.622) 1.108 20.012 ( 0.918 0.000 0.622) 1.108 20.112 ( -0.928 0.000 -1.083) 1.426 20.112 ( -0.928 0.000 1.083) 1.426 20.296 ( 0.034 0.000 -4.477) 4.477 20.296 ( 0.034 0.000 4.477) 4.477 20.377 ( -1.205 0.000 -2.670) 2.930 20.377 ( -1.205 0.000 2.670) 2.930 24.642 ( 9.441 0.000 -1.720) 9.596 24.642 ( 9.441 0.000 1.720) 9.596 25.378 ( -5.343 0.000 -0.422) 5.360 25.378 ( -5.343 0.000 0.422) 5.360 31.827 ( -0.945 0.000 -0.039) 0.945 31.827 ( -0.945 0.000 0.039) 0.945 31.885 ( 0.080 0.000 -0.065) 0.103 31.885 ( 0.080 0.000 0.065) 0.103 42.205 ( 7.755 0.000 -6.634) 10.205 42.205 ( 7.755 0.000 6.634) 10.205 43.086 ( -8.449 0.000 -4.291) 9.477 43.086 ( -8.449 0.000 4.291) 9.477 43.342 ( 11.976 0.000 -6.247) 13.507 43.342 ( 11.976 0.000 6.247) 13.507 45.406 ( -33.953 0.000 -16.010) 37.539 45.406 ( -33.953 0.000 16.010) 37.539 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 10.592 0.000 -13.640) 17.270 1.955 ( 10.592 0.000 13.640) 17.270 2.158 ( 13.892 0.000 -9.527) 16.845 2.158 ( 13.892 0.000 9.527) 16.845 2.871 ( -17.929 0.000 -6.460) 19.058 2.871 ( -17.929 0.000 6.460) 19.058 2.935 ( -10.965 0.000 -5.206) 12.138 2.935 ( -10.965 0.000 5.206) 12.138 3.765 ( 13.867 0.000 -28.303) 31.517 3.765 ( 13.867 0.000 28.303) 31.517 4.404 ( -9.028 0.000 -8.609) 12.475 4.404 ( -9.028 0.000 8.609) 12.475 4.425 ( 5.722 0.000 -1.434) 5.899 4.425 ( 5.722 0.000 1.434) 5.899 5.164 ( 5.832 0.000 -2.856) 6.494 5.164 ( 5.832 0.000 2.856) 6.494 5.311 ( 3.760 0.000 -3.708) 5.281 5.311 ( 3.760 0.000 3.708) 5.281 5.396 ( 6.200 0.000 -2.598) 6.722 5.396 ( 6.200 0.000 2.598) 6.722 5.561 ( 1.988 0.000 -4.846) 5.238 5.561 ( 1.988 0.000 4.846) 5.238 5.694 ( -2.874 0.000 -5.004) 5.770 5.694 ( -2.874 0.000 5.004) 5.770 5.988 ( 8.533 0.000 -4.814) 9.797 5.988 ( 8.533 0.000 4.814) 9.797 6.396 ( 12.549 0.000 -9.240) 15.583 6.396 ( 12.549 0.000 9.240) 15.583 6.596 ( -14.644 0.000 -4.736) 15.391 6.596 ( -14.644 0.000 4.736) 15.391 7.049 ( -5.675 0.000 -10.282) 11.744 7.049 ( -5.675 0.000 10.282) 11.744 7.674 ( -3.496 0.000 -3.874) 5.218 7.674 ( -3.496 0.000 3.874) 5.218 7.842 ( -5.683 0.000 -6.164) 8.384 7.842 ( -5.683 0.000 6.164) 8.384 20.034 ( 1.174 0.000 -0.735) 1.386 20.034 ( 1.174 0.000 0.735) 1.386 20.090 ( -1.182 0.000 -0.976) 1.533 20.090 ( -1.182 0.000 0.976) 1.533 20.295 ( -0.108 0.000 -2.908) 2.910 20.295 ( -0.108 0.000 2.908) 2.910 20.359 ( -0.479 0.000 -1.861) 1.922 20.359 ( -0.479 0.000 1.861) 1.922 24.852 ( 10.184 0.000 -1.844) 10.350 24.852 ( 10.184 0.000 1.844) 10.350 25.240 ( -7.643 0.000 -0.651) 7.671 25.240 ( -7.643 0.000 0.651) 7.671 31.810 ( -0.568 0.000 -0.055) 0.571 31.810 ( -0.568 0.000 0.055) 0.571 31.888 ( 0.163 0.000 -0.077) 0.180 31.888 ( 0.163 0.000 0.077) 0.180 42.396 ( 10.139 0.000 -6.150) 11.858 42.396 ( 10.139 0.000 6.150) 11.858 42.882 ( -10.630 0.000 -4.923) 11.715 42.882 ( -10.630 0.000 4.923) 11.715 43.655 ( 17.757 0.000 -10.874) 20.822 43.655 ( 17.757 0.000 10.874) 20.822 44.718 ( -30.336 0.000 -18.969) 35.778 44.718 ( -30.336 0.000 18.969) 35.778 ======================= Grid point 305 (95/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.000 0.000 -0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.459 ( -0.000 0.000 -0.000) 0.000 2.459 ( -0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 -0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 -0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 3.978 ( -0.000 0.000 -0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 -0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.356 ( -0.000 0.000 -0.000) 0.000 5.356 ( -0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 -0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 -0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 6.166 ( -0.000 0.000 -0.000) 0.000 6.166 ( -0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 -0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 -0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 -0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 -0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 20.055 ( 0.000 0.000 -0.000) 0.000 20.055 ( -0.000 0.000 0.000) 0.000 20.069 ( 0.000 0.000 -0.000) 0.000 20.069 ( 0.000 0.000 0.000) 0.000 20.293 ( 0.000 0.000 -0.000) 0.000 20.293 ( 0.000 0.000 0.000) 0.000 20.354 ( 0.000 0.000 -0.000) 0.000 20.354 ( 0.000 0.000 0.000) 0.000 25.049 ( -0.000 0.000 -0.000) 0.000 25.049 ( -0.000 0.000 0.000) 0.000 25.070 ( 0.000 0.000 -0.000) 0.000 25.070 ( 0.000 0.000 0.000) 0.000 31.804 ( 0.000 0.000 0.000) 0.000 31.804 ( 0.000 0.000 0.000) 0.000 31.890 ( 0.000 0.000 -0.000) 0.000 31.890 ( 0.000 0.000 0.000) 0.000 42.580 ( 0.000 0.000 -0.000) 0.000 42.580 ( 0.000 0.000 0.000) 0.000 42.692 ( -0.000 0.000 -0.000) 0.000 42.692 ( 0.000 0.000 0.000) 0.000 44.005 ( 0.000 0.000 -0.000) 0.000 44.005 ( 0.000 0.000 0.000) 0.000 44.235 ( -0.000 0.000 -0.000) 0.000 44.235 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 315 (96/120) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 14.586 -2.112) 14.738 1.688 ( 0.000 14.586 2.112) 14.738 1.835 ( 0.000 17.479 -4.610) 18.077 1.835 ( 0.000 17.479 4.610) 18.077 3.211 ( 0.000 4.847 -34.069) 34.412 3.211 ( 0.000 4.847 34.069) 34.412 3.592 ( 0.000 2.171 -3.370) 4.009 3.592 ( 0.000 2.171 3.370) 4.009 3.674 ( 0.000 -2.030 -18.672) 18.782 3.674 ( 0.000 -2.030 18.672) 18.782 4.008 ( 0.000 4.020 -1.054) 4.156 4.008 ( 0.000 4.020 1.054) 4.156 4.479 ( 0.000 1.002 -15.286) 15.319 4.479 ( 0.000 1.002 15.286) 15.319 4.792 ( 0.000 -2.609 -1.665) 3.095 4.792 ( 0.000 -2.609 1.665) 3.095 5.050 ( 0.000 -1.913 -2.919) 3.491 5.050 ( 0.000 -1.913 2.919) 3.491 5.151 ( 0.000 3.885 -1.782) 4.274 5.151 ( 0.000 3.885 1.782) 4.274 5.490 ( 0.000 9.906 -2.562) 10.232 5.490 ( 0.000 9.906 2.562) 10.232 5.559 ( 0.000 -6.656 -6.252) 9.132 5.559 ( 0.000 -6.656 6.252) 9.132 5.851 ( 0.000 3.993 -11.877) 12.530 5.851 ( 0.000 3.993 11.877) 12.530 6.078 ( 0.000 18.283 -3.530) 18.621 6.078 ( 0.000 18.283 3.530) 18.621 7.083 ( 0.000 -4.608 -5.386) 7.088 7.083 ( 0.000 -4.608 5.386) 7.088 7.336 ( 0.000 3.448 -8.110) 8.812 7.336 ( 0.000 3.448 8.110) 8.812 7.764 ( 0.000 -1.354 -1.680) 2.158 7.764 ( 0.000 -1.354 1.680) 2.158 8.202 ( 0.000 -10.503 -16.989) 19.974 8.202 ( 0.000 -10.503 16.989) 19.974 20.038 ( 0.000 4.380 -0.662) 4.430 20.038 ( 0.000 4.380 0.662) 4.430 20.142 ( 0.000 0.859 -1.150) 1.435 20.142 ( 0.000 0.859 1.150) 1.435 20.265 ( 0.000 -2.591 -4.626) 5.302 20.265 ( 0.000 -2.591 4.626) 5.302 20.406 ( 0.000 -1.178 -1.723) 2.087 20.406 ( 0.000 -1.178 1.723) 2.087 24.404 ( 0.000 -0.108 -0.257) 0.279 24.404 ( 0.000 -0.108 0.257) 0.279 25.490 ( 0.000 -0.117 -0.357) 0.376 25.490 ( 0.000 -0.117 0.357) 0.376 31.835 ( 0.000 -1.301 -0.613) 1.439 31.835 ( 0.000 -1.301 0.613) 1.439 31.884 ( 0.000 -0.968 -0.472) 1.077 31.884 ( 0.000 -0.968 0.472) 1.077 42.093 ( 0.000 5.705 -6.806) 8.881 42.093 ( 0.000 5.705 6.806) 8.881 42.991 ( 0.000 -6.204 -1.385) 6.356 42.991 ( 0.000 -6.204 1.385) 6.356 43.459 ( 0.000 13.536 -4.694) 14.327 43.459 ( 0.000 13.536 4.694) 14.327 46.238 ( 0.000 -10.804 -3.497) 11.355 46.238 ( 0.000 -10.804 3.497) 11.355 ======================= Grid point 317 (97/120) ======================= q-point: ( 0.12 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.737 14.215 -3.236) 16.060 1.762 ( 6.737 14.215 3.236) 16.060 1.881 ( 4.111 16.771 -2.852) 17.501 1.881 ( 4.111 16.771 2.852) 17.501 3.228 ( 0.453 1.801 -25.911) 25.978 3.228 ( 0.453 1.801 25.911) 25.978 3.481 ( -6.765 4.151 -7.417) 10.863 3.481 ( -6.765 4.151 7.417) 10.863 3.617 ( -6.555 1.547 -15.401) 16.809 3.617 ( -6.555 1.547 15.401) 16.809 4.101 ( 8.219 3.943 -2.311) 9.404 4.101 ( 8.219 3.943 2.311) 9.404 4.502 ( 1.428 -0.735 -11.745) 11.855 4.502 ( 1.428 -0.735 11.745) 11.855 4.847 ( 5.118 -2.791 -2.212) 6.235 4.847 ( 5.118 -2.791 2.212) 6.235 5.090 ( 3.658 -1.003 -1.923) 4.253 5.090 ( 3.658 -1.003 1.923) 4.253 5.223 ( 5.961 3.744 -0.743) 7.078 5.223 ( 5.961 3.744 0.743) 7.078 5.504 ( 0.318 7.239 -3.024) 7.851 5.504 ( 0.318 7.239 3.024) 7.851 5.642 ( 8.096 -5.449 -2.424) 10.056 5.642 ( 8.096 -5.449 2.424) 10.056 5.855 ( 0.465 4.491 -10.506) 11.436 5.855 ( 0.465 4.491 10.506) 11.436 6.085 ( 1.157 17.376 -4.509) 17.989 6.085 ( 1.157 17.376 4.509) 17.989 7.020 ( -5.886 -4.405 -5.303) 9.065 7.020 ( -5.886 -4.405 5.303) 9.065 7.297 ( -3.644 3.139 -8.381) 9.663 7.297 ( -3.644 3.139 8.381) 9.663 7.753 ( -1.122 -1.552 -2.131) 2.865 7.753 ( -1.122 -1.552 2.131) 2.865 8.121 ( -7.191 -9.770 -15.349) 19.564 8.121 ( -7.191 -9.770 15.349) 19.564 20.041 ( 0.283 4.172 -0.657) 4.233 20.041 ( 0.283 4.172 0.657) 4.233 20.137 ( -0.481 0.883 -1.099) 1.489 20.137 ( -0.481 0.883 1.099) 1.489 20.267 ( 0.199 -2.496 -4.641) 5.274 20.267 ( 0.199 -2.496 4.641) 5.274 20.394 ( -1.028 -0.923 -2.051) 2.473 20.394 ( -1.028 -0.923 2.051) 2.473 24.470 ( 5.944 -0.310 -0.420) 5.967 24.470 ( 5.944 -0.310 0.420) 5.967 25.461 ( -2.744 -0.126 -0.378) 2.772 25.461 ( -2.744 -0.126 0.378) 2.772 31.832 ( -0.339 -1.155 -0.485) 1.298 31.832 ( -0.339 -1.155 0.485) 1.298 31.877 ( -0.485 -1.047 -0.317) 1.197 31.877 ( -0.485 -1.047 0.317) 1.197 42.140 ( 4.476 6.047 -6.702) 10.075 42.140 ( 4.476 6.047 6.702) 10.075 43.038 ( 4.150 -5.947 -2.290) 7.605 43.038 ( 4.150 -5.947 2.290) 7.605 43.424 ( -2.921 13.221 -4.148) 14.161 43.424 ( -2.921 13.221 4.148) 14.161 45.967 ( -23.956 -8.766 -3.555) 25.756 45.967 ( -23.956 -8.766 3.555) 25.756 ======================= Grid point 319 (98/120) ======================= q-point: ( 0.25 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 10.099 11.542 -13.488) 20.424 1.948 ( 10.099 11.542 13.488) 20.424 2.005 ( 8.290 16.942 -10.798) 21.733 2.005 ( 8.290 16.942 10.798) 21.733 3.111 ( -11.296 -3.225 -7.816) 14.110 3.111 ( -11.296 -3.225 7.816) 14.110 3.334 ( -11.444 7.370 -2.729) 13.883 3.334 ( -11.444 7.370 2.729) 13.883 3.569 ( 7.079 6.469 -33.136) 34.495 3.569 ( 7.079 6.469 33.136) 34.495 4.294 ( 8.332 2.565 -3.464) 9.381 4.294 ( 8.332 2.565 3.464) 9.381 4.506 ( -1.206 -0.932 -4.956) 5.185 4.506 ( -1.206 -0.932 4.956) 5.185 4.992 ( 8.142 -2.587 -3.363) 9.181 4.992 ( 8.142 -2.587 3.363) 9.181 5.199 ( 6.577 0.926 -1.556) 6.822 5.199 ( 6.577 0.926 1.556) 6.822 5.363 ( 6.738 4.680 -2.634) 8.616 5.363 ( 6.738 4.680 2.634) 8.616 5.509 ( 0.541 3.875 -3.900) 5.524 5.509 ( 0.541 3.875 3.900) 5.524 5.799 ( 3.915 -1.835 -8.141) 9.218 5.799 ( 3.915 -1.835 8.141) 9.218 5.878 ( 2.212 6.366 -1.665) 6.942 5.878 ( 2.212 6.366 1.665) 6.942 6.181 ( 9.165 9.831 -7.473) 15.379 6.181 ( 9.165 9.831 7.473) 15.379 6.841 ( -10.927 -3.623 -4.964) 12.537 6.841 ( -10.927 -3.623 4.964) 12.537 7.192 ( -6.113 2.109 -9.250) 11.286 7.192 ( -6.113 2.109 9.250) 11.286 7.717 ( -2.319 -1.900 -2.914) 4.181 7.717 ( -2.319 -1.900 2.914) 4.181 7.933 ( -9.666 -8.309 -11.559) 17.207 7.933 ( -9.666 -8.309 11.559) 17.207 20.049 ( 0.487 3.493 -0.666) 3.589 20.049 ( 0.487 3.493 0.666) 3.589 20.123 ( -0.809 1.039 -0.984) 1.644 20.123 ( -0.809 1.039 0.984) 1.644 20.274 ( 0.418 -2.004 -4.413) 4.865 20.274 ( 0.418 -2.004 4.413) 4.865 20.369 ( -1.154 -0.606 -2.496) 2.816 20.369 ( -1.154 -0.606 2.496) 2.816 24.636 ( 9.363 -0.583 -1.383) 9.482 24.636 ( 9.363 -0.583 1.383) 9.482 25.376 ( -5.379 -0.169 -0.391) 5.396 25.376 ( -5.379 -0.169 0.391) 5.396 31.819 ( -0.786 -0.769 -0.157) 1.111 31.819 ( -0.786 -0.769 0.157) 1.111 31.871 ( -0.054 -1.339 -0.042) 1.341 31.871 ( -0.054 -1.339 0.042) 1.341 42.276 ( 8.282 6.939 -6.372) 12.544 42.276 ( 8.282 6.939 6.372) 12.544 43.105 ( -0.898 0.353 -0.672) 1.176 43.105 ( -0.898 0.353 0.672) 1.176 43.403 ( 4.244 6.771 -2.203) 8.289 43.403 ( 4.244 6.771 2.203) 8.289 45.344 ( -32.740 -5.655 -13.362) 35.811 45.344 ( -32.740 -5.655 13.362) 35.811 ======================= Grid point 321 (99/120) ======================= q-point: ( 0.38 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 9.127 11.712 -9.378) 17.562 2.148 ( 9.127 11.712 9.378) 17.562 2.246 ( 13.391 13.596 -6.339) 20.109 2.246 ( 13.391 13.596 6.339) 20.109 2.837 ( -13.746 -1.126 -6.099) 15.081 2.837 ( -13.746 -1.126 6.099) 15.081 3.057 ( -13.160 8.868 -4.813) 16.583 3.057 ( -13.160 8.868 4.813) 16.583 3.799 ( 12.600 4.227 -25.335) 28.609 3.799 ( 12.600 4.227 25.335) 28.609 4.326 ( -6.174 -3.638 -7.236) 10.184 4.326 ( -6.174 -3.638 7.236) 10.184 4.527 ( 3.754 6.438 -0.950) 7.513 4.527 ( 3.754 6.438 0.950) 7.513 5.155 ( 6.380 -2.058 -2.942) 7.321 5.155 ( 6.380 -2.058 2.942) 7.321 5.348 ( 6.877 3.696 -2.077) 8.079 5.348 ( 6.877 3.696 2.077) 8.079 5.472 ( 2.424 6.418 -2.381) 7.262 5.472 ( 2.424 6.418 2.381) 7.262 5.544 ( 3.107 0.706 -2.871) 4.289 5.544 ( 3.107 0.706 2.871) 4.289 5.801 ( -1.850 7.925 -5.601) 9.880 5.801 ( -1.850 7.925 5.601) 9.880 5.978 ( 7.453 0.122 -3.571) 8.265 5.978 ( 7.453 0.122 3.571) 8.265 6.391 ( 5.401 -0.214 -4.958) 7.335 6.391 ( 5.401 -0.214 4.958) 7.335 6.601 ( -8.246 0.435 -1.141) 8.336 6.601 ( -8.246 0.435 1.141) 8.336 7.052 ( -6.796 0.342 -9.218) 11.458 7.052 ( -6.796 0.342 9.218) 11.458 7.650 ( -3.961 -2.274 -3.372) 5.677 7.650 ( -3.961 -2.274 3.372) 5.677 7.768 ( -4.900 -6.994 -5.514) 10.165 7.768 ( -4.900 -6.994 5.514) 10.165 20.061 ( 0.580 2.352 -0.667) 2.513 20.061 ( 0.580 2.352 0.667) 2.513 20.105 ( -0.825 1.581 -0.822) 1.963 20.105 ( -0.825 1.581 0.822) 1.963 20.284 ( 0.468 -0.963 -3.251) 3.422 20.284 ( 0.468 -0.963 3.251) 3.422 20.349 ( -0.763 -0.867 -2.226) 2.508 20.349 ( -0.763 -0.867 2.226) 2.508 24.845 ( 10.242 -0.600 -1.535) 10.373 24.845 ( 10.242 -0.600 1.535) 10.373 25.237 ( -7.718 -0.277 -0.561) 7.743 25.237 ( -7.718 -0.277 0.561) 7.743 31.804 ( -0.515 -0.552 -0.039) 0.756 31.804 ( -0.515 -0.552 0.039) 0.756 31.872 ( 0.107 -1.531 -0.039) 1.535 31.872 ( 0.107 -1.531 0.039) 1.535 42.478 ( 10.549 7.898 -5.703) 14.359 42.478 ( 10.549 7.898 5.703) 14.359 42.975 ( -9.454 8.539 -3.867) 13.313 42.975 ( -9.454 8.539 3.867) 13.313 43.639 ( 16.551 -1.435 -9.791) 19.284 43.639 ( 16.551 -1.435 9.791) 19.284 44.671 ( -30.135 -4.396 -16.897) 34.827 44.671 ( -30.135 -4.396 16.897) 34.827 ======================= Grid point 323 (100/120) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 15.237 -0.000) 15.237 2.277 ( 0.000 15.237 0.000) 15.237 2.485 ( -0.000 2.838 -0.000) 2.838 2.485 ( -0.000 2.838 0.000) 2.838 2.599 ( 0.000 8.291 -0.000) 8.291 2.599 ( 0.000 8.291 0.000) 8.291 2.881 ( 0.000 6.804 0.000) 6.804 2.881 ( 0.000 6.804 0.000) 6.804 4.001 ( -0.000 3.216 -0.000) 3.216 4.001 ( -0.000 3.216 0.000) 3.216 4.186 ( 0.000 -3.412 -0.000) 3.412 4.186 ( 0.000 -3.412 0.000) 3.412 4.574 ( 0.000 6.892 0.000) 6.892 4.574 ( 0.000 6.892 0.000) 6.892 5.226 ( 0.000 -1.858 -0.000) 1.858 5.226 ( 0.000 -1.858 0.000) 1.858 5.455 ( -0.000 8.746 -0.000) 8.746 5.455 ( -0.000 8.746 0.000) 8.746 5.464 ( 0.000 1.193 -0.000) 1.193 5.464 ( 0.000 1.193 0.000) 1.193 5.591 ( 0.000 2.198 0.000) 2.198 5.591 ( 0.000 2.198 0.000) 2.198 5.774 ( 0.000 9.527 -0.000) 9.527 5.774 ( 0.000 9.527 0.000) 9.527 6.153 ( 0.000 -1.294 -0.000) 1.294 6.153 ( 0.000 -1.294 0.000) 1.294 6.267 ( 0.000 -6.109 -0.000) 6.109 6.267 ( 0.000 -6.109 0.000) 6.109 6.620 ( 0.000 5.491 -0.000) 5.491 6.620 ( 0.000 5.491 0.000) 5.491 6.957 ( 0.000 -1.468 -0.000) 1.468 6.957 ( 0.000 -1.468 0.000) 1.468 7.596 ( 0.000 -2.838 -0.000) 2.838 7.596 ( 0.000 -2.838 0.000) 2.838 7.723 ( 0.000 -6.086 0.000) 6.086 7.723 ( 0.000 -6.086 0.000) 6.086 20.069 ( -0.000 1.257 -0.000) 1.257 20.069 ( -0.000 1.257 0.000) 1.257 20.094 ( 0.000 2.415 -0.000) 2.415 20.094 ( 0.000 2.415 0.000) 2.415 20.290 ( 0.000 -0.173 -0.000) 0.173 20.290 ( 0.000 -0.173 0.000) 0.173 20.340 ( 0.000 -1.341 0.000) 1.341 20.340 ( 0.000 -1.341 0.000) 1.341 25.046 ( -0.000 -0.358 -0.000) 0.358 25.046 ( -0.000 -0.358 0.000) 0.358 25.064 ( 0.000 -0.530 -0.000) 0.530 25.064 ( 0.000 -0.530 0.000) 0.530 31.799 ( 0.000 -0.498 0.000) 0.498 31.799 ( 0.000 -0.498 0.000) 0.498 31.873 ( 0.000 -1.587 0.000) 1.587 31.873 ( 0.000 -1.587 0.000) 1.587 42.659 ( 0.000 7.443 -0.000) 7.443 42.659 ( 0.000 7.443 0.000) 7.443 42.802 ( -0.000 10.672 -0.000) 10.672 42.802 ( -0.000 10.672 0.000) 10.672 43.994 ( 0.000 -0.928 -0.000) 0.928 43.994 ( 0.000 -0.928 0.000) 0.928 44.173 ( -0.000 -5.996 -0.000) 5.996 44.173 ( -0.000 -5.996 0.000) 5.996 ======================= Grid point 333 (101/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 12.911 -18.965) 22.942 1.929 ( 0.000 12.911 18.965) 22.942 2.239 ( 0.000 17.561 -15.112) 23.168 2.239 ( 0.000 17.561 15.112) 23.168 3.356 ( 0.000 5.080 -13.403) 14.333 3.356 ( 0.000 5.080 13.403) 14.333 3.597 ( 0.000 3.655 -19.799) 20.134 3.597 ( 0.000 3.655 19.799) 20.134 3.780 ( 0.000 11.512 -13.050) 17.402 3.780 ( 0.000 11.512 13.050) 17.402 4.002 ( 0.000 -4.756 -5.280) 7.106 4.002 ( 0.000 -4.756 5.280) 7.106 4.535 ( 0.000 3.904 -8.020) 8.920 4.535 ( 0.000 3.904 8.020) 8.920 4.747 ( 0.000 -1.141 -1.847) 2.171 4.747 ( 0.000 -1.141 1.847) 2.171 5.000 ( 0.000 -2.268 -3.600) 4.255 5.000 ( 0.000 -2.268 3.600) 4.255 5.226 ( 0.000 2.618 -1.680) 3.110 5.226 ( 0.000 2.618 1.680) 3.110 5.452 ( 0.000 -3.597 -7.157) 8.010 5.452 ( 0.000 -3.597 7.157) 8.010 5.763 ( 0.000 15.545 -4.381) 16.151 5.763 ( 0.000 15.545 4.381) 16.151 5.943 ( 0.000 6.426 -8.489) 10.647 5.943 ( 0.000 6.426 8.489) 10.647 6.462 ( 0.000 19.111 -4.506) 19.636 6.462 ( 0.000 19.111 4.506) 19.636 6.984 ( 0.000 -5.261 -4.140) 6.694 6.984 ( 0.000 -5.261 4.140) 6.694 7.388 ( 0.000 1.066 -7.149) 7.228 7.388 ( 0.000 1.066 7.149) 7.228 7.734 ( 0.000 -1.351 -3.140) 3.418 7.734 ( 0.000 -1.351 3.140) 3.418 7.955 ( 0.000 -13.085 -14.036) 19.189 7.955 ( 0.000 -13.085 14.036) 19.189 20.128 ( 0.000 1.910 -0.436) 1.959 20.128 ( 0.000 1.910 0.436) 1.959 20.165 ( 0.000 2.846 -0.894) 2.983 20.165 ( 0.000 2.846 0.894) 2.983 20.216 ( 0.000 -1.303 -3.206) 3.461 20.216 ( 0.000 -1.303 3.206) 3.461 20.385 ( 0.000 -0.720 -1.191) 1.391 20.385 ( 0.000 -0.720 1.191) 1.391 24.402 ( 0.000 -0.176 -0.220) 0.281 24.402 ( 0.000 -0.176 0.220) 0.281 25.487 ( 0.000 -0.178 -0.293) 0.343 25.487 ( 0.000 -0.178 0.293) 0.343 31.803 ( 0.000 -1.803 -0.803) 1.974 31.803 ( 0.000 -1.803 0.803) 1.974 31.858 ( 0.000 -1.546 -0.402) 1.598 31.858 ( 0.000 -1.546 0.402) 1.598 42.242 ( 0.000 8.971 -6.236) 10.925 42.242 ( 0.000 8.971 6.236) 10.925 42.880 ( 0.000 -5.094 -2.440) 5.648 42.880 ( 0.000 -5.094 2.440) 5.648 43.702 ( 0.000 9.479 -9.342) 13.309 43.702 ( 0.000 9.479 9.342) 13.309 46.010 ( 0.000 -10.514 -6.089) 12.150 46.010 ( 0.000 -10.514 6.089) 12.150 ======================= Grid point 335 (102/120) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 5.008 12.004 -17.657) 21.931 1.985 ( 5.008 12.004 17.657) 21.931 2.285 ( 4.321 17.566 -15.846) 24.049 2.285 ( 4.321 17.566 15.846) 24.049 3.288 ( -6.663 2.196 -10.888) 12.952 3.288 ( -6.663 2.196 10.888) 12.952 3.573 ( -2.329 4.529 -11.820) 12.870 3.573 ( -2.329 4.529 11.820) 12.870 3.736 ( -1.970 12.416 -21.057) 24.524 3.736 ( -1.970 12.416 21.057) 24.524 4.124 ( 9.288 -1.935 -6.223) 11.346 4.124 ( 9.288 -1.935 6.223) 11.346 4.528 ( -0.172 3.013 -5.123) 5.946 4.528 ( -0.172 3.013 5.123) 5.946 4.804 ( 5.092 -0.590 -2.085) 5.533 4.804 ( 5.092 -0.590 2.085) 5.533 5.063 ( 5.240 -2.120 -3.100) 6.447 5.063 ( 5.240 -2.120 3.100) 6.447 5.269 ( 3.869 1.342 -1.989) 4.553 5.269 ( 3.869 1.342 1.989) 4.553 5.519 ( 5.716 -3.897 -4.057) 8.020 5.519 ( 5.716 -3.897 4.057) 8.020 5.786 ( 2.063 16.288 -2.444) 16.599 5.786 ( 2.063 16.288 2.444) 16.599 5.949 ( 0.957 5.536 -7.459) 9.338 5.949 ( 0.957 5.536 7.459) 9.338 6.451 ( -0.882 18.471 -4.910) 19.133 6.451 ( -0.882 18.471 4.910) 19.133 6.923 ( -5.719 -5.265 -4.161) 8.817 6.923 ( -5.719 -5.265 4.161) 8.817 7.348 ( -3.770 1.364 -6.949) 8.023 7.348 ( -3.770 1.364 6.949) 8.023 7.712 ( -2.022 -2.448 -3.286) 4.569 7.712 ( -2.022 -2.448 3.286) 4.569 7.895 ( -5.433 -11.652 -12.728) 18.091 7.895 ( -5.433 -11.652 12.728) 18.091 20.125 ( -0.354 1.723 -1.195) 2.126 20.125 ( -0.354 1.723 1.195) 2.126 20.162 ( -0.213 2.858 -0.880) 2.998 20.162 ( -0.213 2.858 0.880) 2.998 20.220 ( 0.505 -1.140 -3.363) 3.587 20.220 ( 0.505 -1.140 3.363) 3.587 20.378 ( -0.647 -0.499 -1.478) 1.689 20.378 ( -0.647 -0.499 1.478) 1.689 24.463 ( 5.603 -0.389 -0.158) 5.618 24.463 ( 5.603 -0.389 0.158) 5.618 25.458 ( -2.766 -0.188 -0.318) 2.791 25.458 ( -2.766 -0.188 0.318) 2.791 31.802 ( -0.058 -1.698 -0.745) 1.855 31.802 ( -0.058 -1.698 0.745) 1.855 31.850 ( -0.619 -1.533 -0.335) 1.687 31.850 ( -0.619 -1.533 0.335) 1.687 42.299 ( 5.306 9.537 -6.099) 12.503 42.299 ( 5.306 9.537 6.099) 12.503 42.932 ( 4.882 -4.985 -3.180) 7.668 42.932 ( 4.882 -4.985 3.180) 7.668 43.662 ( -3.648 9.390 -8.644) 13.274 43.662 ( -3.648 9.390 8.644) 13.274 45.783 ( -20.419 -8.287 -2.237) 22.150 45.783 ( -20.419 -8.287 2.237) 22.150 ======================= Grid point 337 (103/120) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 7.875 10.041 -14.281) 19.152 2.123 ( 7.875 10.041 14.281) 19.152 2.417 ( 8.218 17.395 -16.164) 25.128 2.417 ( 8.218 17.395 16.164) 25.128 3.091 ( -11.397 1.333 -7.849) 13.902 3.091 ( -11.397 1.333 7.849) 13.902 3.448 ( -9.445 3.422 -3.603) 10.673 3.448 ( -9.445 3.422 3.603) 10.673 3.786 ( 6.491 15.636 -24.969) 30.167 3.786 ( 6.491 15.636 24.969) 30.167 4.298 ( 4.905 -1.665 -6.626) 8.410 4.298 ( 4.905 -1.665 6.626) 8.410 4.557 ( 3.798 5.536 -1.713) 6.929 4.557 ( 3.798 5.536 1.713) 6.929 4.944 ( 7.712 -1.288 -3.008) 8.377 4.944 ( 7.712 -1.288 3.008) 8.377 5.201 ( 7.957 -2.431 -1.233) 8.411 5.201 ( 7.957 -2.431 1.233) 8.411 5.373 ( 5.605 -0.154 -2.313) 6.065 5.373 ( 5.605 -0.154 2.313) 6.065 5.644 ( 5.317 -0.474 -2.269) 5.800 5.644 ( 5.317 -0.474 2.269) 5.800 5.826 ( 1.218 12.671 -5.783) 13.981 5.826 ( 1.218 12.671 5.783) 13.981 6.014 ( 5.173 6.017 -3.668) 8.742 6.014 ( 5.173 6.017 3.668) 8.742 6.437 ( -0.068 14.719 -5.807) 15.823 6.437 ( -0.068 14.719 5.807) 15.823 6.755 ( -9.659 -4.605 -3.680) 11.315 6.755 ( -9.659 -4.605 3.680) 11.315 7.234 ( -6.925 1.725 -6.804) 9.860 7.234 ( -6.925 1.725 6.804) 9.860 7.656 ( -3.152 -5.217 -3.602) 7.080 7.656 ( -3.152 -5.217 3.602) 7.080 7.750 ( -7.653 -7.992 -9.424) 14.535 7.750 ( -7.653 -7.992 9.424) 14.535 20.113 ( -0.741 1.282 -1.219) 1.918 20.113 ( -0.741 1.282 1.219) 1.918 20.157 ( -0.285 2.745 -0.705) 2.848 20.157 ( -0.285 2.745 0.705) 2.848 20.239 ( 1.257 -0.575 -3.313) 3.590 20.239 ( 1.257 -0.575 3.313) 3.590 20.360 ( -0.990 -0.113 -1.985) 2.221 20.360 ( -0.990 -0.113 1.985) 2.221 24.622 ( 9.179 -0.709 -0.749) 9.237 24.622 ( 9.179 -0.709 0.749) 9.237 25.372 ( -5.458 -0.240 -0.323) 5.472 25.372 ( -5.458 -0.240 0.323) 5.472 31.798 ( -0.355 -1.279 -0.504) 1.420 31.798 ( -0.355 -1.279 0.504) 1.420 31.839 ( -0.380 -1.749 -0.249) 1.807 31.839 ( -0.380 -1.749 0.249) 1.807 42.457 ( 9.423 10.793 -5.625) 15.392 42.457 ( 9.423 10.793 5.625) 15.392 43.074 ( 7.813 -2.998 -3.931) 9.246 43.074 ( 7.813 -2.998 3.931) 9.246 43.568 ( -4.125 7.843 -5.854) 10.621 43.568 ( -4.125 7.843 5.854) 10.621 45.229 ( -30.301 -4.726 -5.915) 31.232 45.229 ( -30.301 -4.726 5.915) 31.232 ======================= Grid point 339 (104/120) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 10.056 8.342 -8.465) 15.568 2.312 ( 10.056 8.342 8.465) 15.568 2.619 ( 9.897 17.020 -12.332) 23.232 2.619 ( 9.897 17.020 12.332) 23.232 2.840 ( -11.266 1.893 -6.069) 12.936 2.840 ( -11.266 1.893 6.069) 12.936 3.211 ( -12.461 5.661 -7.547) 15.630 3.211 ( -12.461 5.661 7.547) 15.630 3.962 ( 9.389 12.511 -18.319) 24.089 3.962 ( 9.389 12.511 18.319) 24.089 4.295 ( -4.169 1.015 -5.725) 7.154 4.295 ( -4.169 1.015 5.725) 7.154 4.663 ( 4.549 7.266 -1.397) 8.686 4.663 ( 4.549 7.266 1.397) 8.686 5.093 ( 5.471 -3.542 -2.495) 6.979 5.093 ( 5.471 -3.542 2.495) 6.979 5.392 ( 9.210 -1.044 -1.451) 9.382 5.392 ( 9.210 -1.044 1.451) 9.382 5.486 ( 4.597 -0.136 -1.814) 4.943 5.486 ( 4.597 -0.136 1.814) 4.943 5.736 ( 3.408 8.213 -4.909) 10.157 5.736 ( 3.408 8.213 4.909) 10.157 5.854 ( 2.499 3.493 -7.644) 8.768 5.854 ( 2.499 3.493 7.644) 8.768 6.099 ( 1.888 9.877 -1.886) 10.231 6.099 ( 1.888 9.877 1.886) 10.231 6.389 ( -8.634 -0.368 -3.035) 9.159 6.389 ( -8.634 -0.368 3.035) 9.159 6.630 ( 2.561 3.628 -4.584) 6.383 6.630 ( 2.561 3.628 4.584) 6.383 7.066 ( -8.700 1.094 -6.859) 11.132 7.066 ( -8.700 1.094 6.859) 11.132 7.588 ( -3.653 -6.444 -3.272) 8.098 7.588 ( -3.653 -6.444 3.272) 8.098 7.610 ( -4.286 -5.513 -3.746) 7.924 7.610 ( -4.286 -5.513 3.746) 7.924 20.098 ( -0.559 0.912 -0.662) 1.258 20.098 ( -0.559 0.912 0.662) 1.258 20.151 ( -0.210 2.597 -0.381) 2.633 20.151 ( -0.210 2.597 0.381) 2.633 20.270 ( 1.620 0.102 -2.985) 3.398 20.270 ( 1.620 0.102 2.985) 3.398 20.337 ( -1.247 0.010 -2.363) 2.672 20.337 ( -1.247 0.010 2.363) 2.672 24.831 ( 10.345 -0.760 -0.904) 10.412 24.831 ( 10.345 -0.760 0.904) 10.412 25.231 ( -7.883 -0.377 -0.370) 7.901 25.231 ( -7.883 -0.377 0.370) 7.901 31.790 ( -0.343 -0.865 -0.196) 0.951 31.790 ( -0.343 -0.865 0.196) 0.951 31.835 ( -0.042 -2.052 -0.111) 2.056 31.835 ( -0.042 -2.052 0.111) 2.056 42.675 ( 10.705 11.222 -4.639) 16.188 42.675 ( 10.705 11.222 4.639) 16.188 43.156 ( -2.625 8.433 -1.660) 8.987 43.156 ( -2.625 8.433 1.660) 8.987 43.610 ( 11.283 -1.524 -5.816) 12.784 43.610 ( 11.283 -1.524 5.816) 12.784 44.581 ( -30.131 -3.614 -10.486) 32.108 44.581 ( -30.131 -3.614 10.486) 32.108 ======================= Grid point 341 (105/120) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.000 9.103 -0.000) 9.103 2.520 ( -0.000 9.103 0.000) 9.103 2.570 ( 0.000 5.673 -0.000) 5.673 2.570 ( 0.000 5.673 0.000) 5.673 2.856 ( 0.000 14.789 -0.000) 14.789 2.856 ( 0.000 14.789 0.000) 14.789 2.994 ( -0.000 3.708 -0.000) 3.708 2.994 ( 0.000 3.708 0.000) 3.708 4.137 ( -0.000 10.673 -0.000) 10.673 4.137 ( -0.000 10.673 0.000) 10.673 4.175 ( 0.000 3.347 -0.000) 3.347 4.175 ( 0.000 3.347 0.000) 3.347 4.712 ( 0.000 6.864 0.000) 6.864 4.712 ( 0.000 6.864 0.000) 6.864 5.152 ( 0.000 -4.868 0.000) 4.868 5.152 ( 0.000 -4.868 0.000) 4.868 5.505 ( 0.000 1.396 -0.000) 1.396 5.505 ( 0.000 1.396 0.000) 1.396 5.540 ( 0.000 -0.102 -0.000) 0.102 5.540 ( 0.000 -0.102 0.000) 0.102 5.772 ( 0.000 13.666 -0.000) 13.666 5.772 ( -0.000 13.666 0.000) 13.666 5.926 ( -0.000 2.063 -0.000) 2.063 5.926 ( -0.000 2.063 0.000) 2.063 6.121 ( 0.000 -0.982 -0.000) 0.982 6.121 ( 0.000 -0.982 0.000) 0.982 6.210 ( 0.000 3.463 -0.000) 3.463 6.210 ( -0.000 3.463 0.000) 3.463 6.730 ( -0.000 5.744 -0.000) 5.744 6.730 ( -0.000 5.744 0.000) 5.744 6.928 ( 0.000 -0.926 -0.000) 0.926 6.928 ( 0.000 -0.926 0.000) 0.926 7.534 ( 0.000 -2.932 -0.000) 2.932 7.534 ( 0.000 -2.932 0.000) 2.932 7.574 ( 0.000 -8.335 -0.000) 8.335 7.574 ( 0.000 -8.335 0.000) 8.335 20.092 ( 0.000 0.773 0.000) 0.773 20.092 ( 0.000 0.773 0.000) 0.773 20.149 ( 0.000 2.549 -0.000) 2.549 20.149 ( 0.000 2.549 0.000) 2.549 20.298 ( 0.000 1.258 -0.000) 1.258 20.298 ( 0.000 1.258 0.000) 1.258 20.313 ( -0.000 -0.867 -0.000) 0.867 20.313 ( -0.000 -0.867 0.000) 0.867 25.037 ( -0.000 -0.460 -0.000) 0.460 25.037 ( -0.000 -0.460 0.000) 0.460 25.052 ( 0.000 -0.711 -0.000) 0.711 25.052 ( 0.000 -0.711 0.000) 0.711 31.786 ( 0.000 -0.746 -0.000) 0.746 31.786 ( 0.000 -0.746 0.000) 0.746 31.835 ( 0.000 -2.147 -0.000) 2.147 31.835 ( 0.000 -2.147 0.000) 2.147 42.833 ( 0.000 9.171 -0.000) 9.171 42.833 ( 0.000 9.171 0.000) 9.171 43.068 ( 0.000 14.931 -0.000) 14.931 43.068 ( 0.000 14.931 0.000) 14.931 43.984 ( 0.000 0.313 -0.000) 0.313 43.984 ( 0.000 0.313 0.000) 0.313 44.020 ( -0.000 -8.772 -0.000) 8.772 44.020 ( 0.000 -8.772 0.000) 8.772 ======================= Grid point 351 (106/120) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 14.712 -17.660) 22.985 2.204 ( 0.000 14.712 17.660) 22.985 2.504 ( 0.000 10.916 -14.501) 18.150 2.504 ( 0.000 10.916 14.501) 18.150 3.329 ( 0.000 -5.011 -9.793) 11.000 3.329 ( 0.000 -5.011 9.793) 11.000 3.674 ( 0.000 1.710 -5.996) 6.235 3.674 ( 0.000 1.710 5.996) 6.235 3.844 ( 0.000 -10.071 -8.269) 13.031 3.844 ( 0.000 -10.071 8.269) 13.031 4.144 ( 0.000 20.651 -13.339) 24.584 4.144 ( 0.000 20.651 13.339) 24.584 4.590 ( 0.000 1.433 -0.231) 1.451 4.590 ( 0.000 1.433 0.231) 1.451 4.787 ( 0.000 6.106 -4.420) 7.538 4.787 ( 0.000 6.106 4.420) 7.538 4.962 ( 0.000 -2.131 -5.101) 5.528 4.962 ( 0.000 -2.131 5.101) 5.528 5.268 ( 0.000 2.626 -0.309) 2.644 5.268 ( 0.000 2.626 0.309) 2.644 5.404 ( 0.000 -1.712 -6.560) 6.779 5.404 ( 0.000 -1.712 6.560) 6.779 5.937 ( 0.000 3.414 -4.820) 5.907 5.937 ( 0.000 3.414 4.820) 5.907 6.213 ( 0.000 18.239 -3.639) 18.599 6.213 ( 0.000 18.239 3.639) 18.599 6.777 ( 0.000 11.805 -0.160) 11.806 6.777 ( 0.000 11.805 0.160) 11.806 6.878 ( 0.000 -5.225 -3.574) 6.330 6.878 ( 0.000 -5.225 3.574) 6.330 7.361 ( 0.000 -3.132 -10.132) 10.605 7.361 ( 0.000 -3.132 10.132) 10.605 7.703 ( 0.000 -5.060 -8.602) 9.980 7.703 ( 0.000 -5.060 8.602) 9.980 7.761 ( 0.000 -2.947 -3.513) 4.585 7.761 ( 0.000 -2.947 3.513) 4.585 20.095 ( 0.000 -2.602 -2.430) 3.561 20.095 ( 0.000 -2.602 2.430) 3.561 20.212 ( 0.000 0.626 -0.641) 0.895 20.212 ( 0.000 0.626 0.641) 0.895 20.261 ( 0.000 4.311 -0.651) 4.360 20.261 ( 0.000 4.311 0.651) 4.360 20.384 ( 0.000 0.684 -0.327) 0.759 20.384 ( 0.000 0.684 0.327) 0.759 24.398 ( 0.000 -0.176 -0.160) 0.238 24.398 ( 0.000 -0.176 0.160) 0.238 25.484 ( 0.000 -0.168 -0.206) 0.266 25.484 ( 0.000 -0.168 0.206) 0.266 31.769 ( 0.000 -1.515 -0.837) 1.731 31.769 ( 0.000 -1.515 0.837) 1.731 31.827 ( 0.000 -1.546 -0.296) 1.574 31.827 ( 0.000 -1.546 0.296) 1.574 42.417 ( 0.000 8.150 -4.800) 9.458 42.417 ( 0.000 8.150 4.800) 9.458 42.798 ( 0.000 -2.950 -3.074) 4.261 42.798 ( 0.000 -2.950 3.074) 4.261 43.795 ( 0.000 0.173 -13.244) 13.245 43.795 ( 0.000 0.173 13.244) 13.245 45.874 ( 0.000 -3.172 -8.863) 9.413 45.874 ( 0.000 -3.172 8.863) 9.413 ======================= Grid point 353 (107/120) ======================= q-point: ( 0.12 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 3.302 13.589 -15.857) 21.143 2.241 ( 3.302 13.589 15.857) 21.143 2.543 ( 3.573 10.129 -14.558) 18.091 2.543 ( 3.573 10.129 14.558) 18.091 3.276 ( -4.891 -2.984 -8.730) 10.442 3.276 ( -4.891 -2.984 8.730) 10.442 3.600 ( -5.109 -1.300 -2.143) 5.691 3.600 ( -5.109 -1.300 2.143) 5.691 3.954 ( 7.035 -1.724 -0.982) 7.309 3.954 ( 7.035 -1.724 0.982) 7.309 4.187 ( 4.712 16.230 -8.878) 19.090 4.187 ( 4.712 16.230 8.878) 19.090 4.585 ( 0.775 2.566 -2.287) 3.524 4.585 ( 0.775 2.566 2.287) 3.524 4.850 ( 5.133 5.368 -2.633) 7.880 4.850 ( 5.133 5.368 2.633) 7.880 5.009 ( 3.876 -3.162 -3.971) 6.386 5.009 ( 3.876 -3.162 3.971) 6.386 5.302 ( 3.023 2.352 -2.144) 4.389 5.302 ( 3.023 2.352 2.144) 4.389 5.445 ( 3.755 -3.622 -5.019) 7.240 5.445 ( 3.755 -3.622 5.019) 7.240 5.973 ( 3.394 3.271 -4.202) 6.315 5.973 ( 3.394 3.271 4.202) 6.315 6.207 ( -0.450 18.450 -3.404) 18.766 6.207 ( -0.450 18.450 3.404) 18.766 6.754 ( -2.654 9.743 -2.372) 10.373 6.754 ( -2.654 9.743 2.372) 10.373 6.824 ( -4.525 -3.001 -2.868) 6.141 6.824 ( -4.525 -3.001 2.868) 6.141 7.331 ( -2.846 -2.665 -9.266) 10.052 7.331 ( -2.846 -2.665 9.266) 10.052 7.642 ( -5.044 -5.343 -6.973) 10.130 7.642 ( -5.044 -5.343 6.973) 10.130 7.743 ( -2.129 -2.455 -2.403) 4.042 7.743 ( -2.129 -2.455 2.403) 4.042 20.098 ( 0.189 -2.364 -2.358) 3.344 20.098 ( 0.189 -2.364 2.358) 3.344 20.202 ( -0.801 0.512 -0.504) 1.076 20.202 ( -0.801 0.512 0.504) 1.076 20.268 ( 0.575 4.260 -0.730) 4.361 20.268 ( 0.575 4.260 0.730) 4.361 20.380 ( -0.343 0.787 -0.608) 1.052 20.380 ( -0.343 0.787 0.608) 1.052 24.456 ( 5.328 -0.306 -0.018) 5.337 24.456 ( 5.328 -0.306 0.018) 5.337 25.455 ( -2.783 -0.172 -0.232) 2.798 25.455 ( -2.783 -0.172 0.232) 2.798 31.770 ( 0.102 -1.464 -0.812) 1.677 31.770 ( 0.102 -1.464 0.812) 1.677 31.820 ( -0.565 -1.464 -0.281) 1.595 31.820 ( -0.565 -1.464 0.281) 1.595 42.486 ( 6.381 8.820 -4.685) 11.852 42.486 ( 6.381 8.820 4.685) 11.852 42.849 ( 4.941 -3.146 -3.295) 6.721 42.849 ( 4.941 -3.146 3.295) 6.721 43.755 ( -3.708 0.212 -12.600) 13.136 43.755 ( -3.708 0.212 12.600) 13.136 45.684 ( -17.344 -1.620 -6.633) 18.640 45.684 ( -17.344 -1.620 6.633) 18.640 ======================= Grid point 355 (108/120) ======================= q-point: ( 0.25 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.685 11.004 -11.695) 17.035 2.335 ( 5.685 11.004 11.695) 17.035 2.649 ( 6.421 7.757 -14.579) 17.719 2.649 ( 6.421 7.757 14.579) 17.719 3.135 ( -8.266 1.879 -6.056) 10.418 3.135 ( -8.266 1.879 6.056) 10.418 3.463 ( -8.205 -1.222 -4.342) 9.363 3.463 ( -8.205 -1.222 4.342) 9.363 4.096 ( 7.018 9.113 -7.911) 13.960 4.096 ( 7.018 9.113 7.911) 13.960 4.310 ( 5.070 7.898 -1.120) 9.452 4.310 ( 5.070 7.898 1.120) 9.452 4.670 ( 7.220 5.403 -2.575) 9.378 4.670 ( 7.220 5.403 2.575) 9.378 4.967 ( 5.125 3.756 -2.126) 6.701 4.967 ( 5.125 3.756 2.126) 6.701 5.113 ( 6.776 -5.430 -0.132) 8.684 5.113 ( 6.776 -5.430 0.132) 8.684 5.386 ( 4.756 0.853 -3.657) 6.060 5.386 ( 4.756 0.853 3.657) 6.060 5.543 ( 4.992 -7.168 -4.900) 10.015 5.543 ( 4.992 -7.168 4.900) 10.015 6.065 ( 4.307 4.628 -4.049) 7.507 6.065 ( 4.307 4.628 4.049) 7.507 6.210 ( 1.530 17.000 -2.196) 17.210 6.210 ( 1.530 17.000 2.196) 17.210 6.612 ( -10.548 -1.851 -4.098) 11.466 6.612 ( -10.548 -1.851 4.098) 11.466 6.756 ( -1.623 8.718 -1.702) 9.030 6.756 ( -1.623 8.718 1.702) 9.030 7.243 ( -5.648 -0.877 -6.976) 9.018 7.243 ( -5.648 -0.877 6.976) 9.018 7.521 ( -5.661 -5.999 -5.865) 10.121 7.521 ( -5.661 -5.999 5.865) 10.121 7.669 ( -4.771 -1.802 -1.975) 5.469 7.669 ( -4.771 -1.802 1.975) 5.469 20.101 ( 0.057 -1.539 -1.965) 2.496 20.101 ( 0.057 -1.539 1.965) 2.496 20.184 ( -0.774 0.048 -0.476) 0.910 20.184 ( -0.774 0.048 0.476) 0.910 20.284 ( 0.900 3.952 -0.969) 4.167 20.284 ( 0.900 3.952 0.969) 4.167 20.370 ( -0.593 1.097 -1.084) 1.652 20.370 ( -0.593 1.097 1.084) 1.652 24.610 ( 9.003 -0.517 -0.289) 9.022 24.610 ( 9.003 -0.517 0.289) 9.022 25.367 ( -5.529 -0.205 -0.241) 5.538 25.367 ( -5.529 -0.205 0.241) 5.538 31.772 ( 0.064 -1.254 -0.723) 1.449 31.772 ( 0.064 -1.254 0.723) 1.449 31.807 ( -0.596 -1.411 -0.375) 1.577 31.807 ( -0.596 -1.411 0.375) 1.577 42.667 ( 10.055 9.716 -4.132) 14.580 42.667 ( 10.055 9.716 4.132) 14.580 43.015 ( 11.108 -2.349 -3.247) 11.809 43.015 ( 11.108 -2.349 3.247) 11.809 43.648 ( -5.992 0.017 -10.533) 12.118 43.648 ( -5.992 0.017 10.533) 12.118 45.193 ( -28.000 1.141 -1.964) 28.092 45.193 ( -28.000 1.141 1.964) 28.092 ======================= Grid point 357 (109/120) ======================= q-point: ( 0.38 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 8.385 8.620 -6.498) 13.669 2.483 ( 8.385 8.620 6.498) 13.669 2.794 ( 5.264 2.951 -13.789) 15.052 2.794 ( 5.264 2.951 13.789) 15.052 2.953 ( -6.836 7.700 -2.943) 10.709 2.953 ( -6.836 7.700 2.943) 10.709 3.263 ( -10.353 0.015 -8.672) 13.505 3.263 ( -10.353 0.015 8.672) 13.505 4.246 ( 6.478 13.015 -10.113) 17.709 4.246 ( 6.478 13.015 10.113) 17.709 4.376 ( 1.533 8.504 -4.307) 9.655 4.376 ( 1.533 8.504 4.307) 9.655 4.803 ( 3.731 6.791 -1.059) 7.821 4.803 ( 3.731 6.791 1.059) 7.821 5.039 ( 1.990 -1.569 -3.223) 4.100 5.039 ( 1.990 -1.569 3.223) 4.100 5.328 ( 12.289 -4.215 -1.632) 13.094 5.328 ( 12.289 -4.215 1.632) 13.094 5.478 ( 3.304 -1.671 -4.050) 5.487 5.478 ( 3.304 -1.671 4.050) 5.487 5.652 ( 6.384 -8.756 -9.623) 14.492 5.652 ( 6.384 -8.756 9.623) 14.492 6.085 ( -3.405 9.036 -5.166) 10.952 6.085 ( -3.405 9.036 5.166) 10.952 6.285 ( 2.764 10.724 -1.929) 11.241 6.285 ( 2.764 10.724 1.929) 11.241 6.371 ( -9.092 -0.687 -4.834) 10.320 6.371 ( -9.092 -0.687 4.834) 10.320 6.759 ( 2.534 8.256 -3.688) 9.391 6.759 ( 2.534 8.256 3.688) 9.391 7.091 ( -8.557 1.406 -5.068) 10.044 7.091 ( -8.557 1.406 5.068) 10.044 7.436 ( -2.047 -6.281 -3.638) 7.541 7.436 ( -2.047 -6.281 3.638) 7.541 7.560 ( -5.015 -1.568 -1.474) 5.457 7.560 ( -5.015 -1.568 1.474) 5.457 20.099 ( -0.129 -0.458 -1.088) 1.188 20.099 ( -0.129 -0.458 1.088) 1.188 20.172 ( -0.371 -0.478 -0.343) 0.696 20.172 ( -0.371 -0.478 0.343) 0.696 20.306 ( 1.164 3.146 -1.250) 3.580 20.306 ( 1.164 3.146 1.250) 3.580 20.355 ( -0.875 1.635 -1.380) 2.312 20.355 ( -0.875 1.635 1.380) 2.312 24.818 ( 10.416 -0.566 -0.391) 10.438 24.818 ( 10.416 -0.566 0.391) 10.438 25.224 ( -8.038 -0.302 -0.215) 8.046 25.224 ( -8.038 -0.302 0.215) 8.046 31.772 ( -0.047 -0.872 -0.448) 0.982 31.772 ( -0.047 -0.872 0.448) 0.982 31.798 ( -0.249 -1.601 -0.311) 1.650 31.798 ( -0.249 -1.601 0.311) 1.650 42.874 ( 8.856 8.066 -3.598) 12.507 42.874 ( 8.856 8.066 3.598) 12.507 43.284 ( 9.919 5.075 -1.714) 11.272 43.284 ( 9.919 5.075 1.714) 11.272 43.566 ( 3.251 -3.430 -5.179) 7.011 43.566 ( 3.251 -3.430 5.179) 7.011 44.566 ( -30.519 2.198 -2.257) 30.681 44.566 ( -30.519 2.198 2.257) 30.681 ======================= Grid point 359 (110/120) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.000 6.738 -0.000) 6.738 2.672 ( -0.000 6.738 0.000) 6.738 2.691 ( 0.000 6.166 -0.000) 6.166 2.691 ( 0.000 6.166 0.000) 6.166 3.030 ( -0.000 0.745 -0.000) 0.745 3.030 ( 0.000 0.745 0.000) 0.745 3.059 ( -0.000 5.383 -0.000) 5.383 3.059 ( -0.000 5.383 0.000) 5.383 4.327 ( 0.000 11.352 -0.000) 11.352 4.327 ( 0.000 11.352 0.000) 11.352 4.386 ( 0.000 13.484 -0.000) 13.484 4.386 ( 0.000 13.484 0.000) 13.484 4.834 ( 0.000 5.375 -0.000) 5.375 4.834 ( 0.000 5.375 0.000) 5.375 5.060 ( 0.000 -4.017 0.000) 4.017 5.060 ( 0.000 -4.017 0.000) 4.017 5.488 ( 0.000 -3.334 -0.000) 3.334 5.488 ( 0.000 -3.334 0.000) 3.334 5.504 ( -0.000 -3.560 -0.000) 3.560 5.504 ( -0.000 -3.560 0.000) 3.560 5.866 ( -0.000 -5.056 -0.000) 5.056 5.866 ( -0.000 -5.056 0.000) 5.056 5.886 ( 0.000 -2.877 -0.000) 2.877 5.886 ( 0.000 -2.877 0.000) 2.877 6.240 ( -0.000 12.683 0.000) 12.683 6.240 ( -0.000 12.683 0.000) 12.683 6.359 ( 0.000 8.216 -0.000) 8.216 6.359 ( 0.000 8.216 0.000) 8.216 6.845 ( -0.000 5.725 -0.000) 5.725 6.845 ( -0.000 5.725 0.000) 5.725 6.939 ( 0.000 2.231 -0.000) 2.231 6.939 ( 0.000 2.231 0.000) 2.231 7.425 ( -0.000 -6.189 0.000) 6.189 7.425 ( 0.000 -6.189 0.000) 6.189 7.493 ( 0.000 -1.277 -0.000) 1.277 7.493 ( 0.000 -1.277 0.000) 1.277 20.098 ( 0.000 -0.001 0.000) 0.001 20.098 ( 0.000 -0.001 0.000) 0.001 20.168 ( 0.000 -0.663 0.000) 0.663 20.168 ( 0.000 -0.663 0.000) 0.663 20.326 ( 0.000 2.146 -0.000) 2.146 20.326 ( 0.000 2.146 0.000) 2.146 20.337 ( -0.000 2.464 -0.000) 2.464 20.337 ( -0.000 2.464 0.000) 2.464 25.029 ( -0.000 -0.325 -0.000) 0.325 25.029 ( -0.000 -0.325 0.000) 0.325 25.039 ( 0.000 -0.579 -0.000) 0.579 25.039 ( 0.000 -0.579 0.000) 0.579 31.772 ( 0.000 -0.685 -0.000) 0.685 31.772 ( 0.000 -0.685 0.000) 0.685 31.796 ( 0.000 -1.728 -0.000) 1.728 31.796 ( 0.000 -1.728 0.000) 1.728 42.987 ( 0.000 6.327 0.000) 6.327 42.987 ( 0.000 6.327 0.000) 6.327 43.312 ( 0.000 7.476 0.000) 7.476 43.312 ( 0.000 7.476 0.000) 7.476 43.884 ( 0.000 -3.125 -0.000) 3.125 43.884 ( 0.000 -3.125 0.000) 3.125 44.013 ( -0.000 2.414 -0.000) 2.414 44.013 ( 0.000 2.414 0.000) 2.414 ======================= Grid point 369 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 0.000 12.836 -13.370) 18.535 2.482 ( 0.000 12.836 13.370) 18.535 2.691 ( 0.000 7.726 -10.242) 12.829 2.691 ( 0.000 7.726 10.242) 12.829 3.210 ( 0.000 -6.324 -5.366) 8.294 3.210 ( 0.000 -6.324 5.366) 8.294 3.607 ( 0.000 -9.296 -6.250) 11.202 3.607 ( 0.000 -9.296 6.250) 11.202 3.710 ( 0.000 -1.088 -3.245) 3.423 3.710 ( 0.000 -1.088 3.245) 3.423 4.428 ( 0.000 6.936 -5.246) 8.696 4.428 ( 0.000 6.936 5.246) 8.696 4.637 ( 0.000 5.185 -5.113) 7.283 4.637 ( 0.000 5.185 5.113) 7.283 4.900 ( 0.000 -4.203 -6.173) 7.468 4.900 ( 0.000 -4.203 6.173) 7.468 4.943 ( 0.000 6.392 -2.779) 6.970 4.943 ( 0.000 6.392 2.779) 6.970 5.346 ( 0.000 4.374 -1.219) 4.540 5.346 ( 0.000 4.374 1.219) 4.540 5.394 ( 0.000 2.005 -6.969) 7.252 5.394 ( 0.000 2.005 6.969) 7.252 5.976 ( 0.000 0.963 -2.144) 2.350 5.976 ( 0.000 0.963 2.144) 2.350 6.519 ( 0.000 11.409 -1.947) 11.574 6.519 ( 0.000 11.409 1.947) 11.574 6.745 ( 0.000 -6.292 -1.311) 6.427 6.745 ( 0.000 -6.292 1.311) 6.427 6.941 ( 0.000 3.493 -0.869) 3.599 6.941 ( 0.000 3.493 0.869) 3.599 7.338 ( 0.000 2.283 -12.468) 12.676 7.338 ( 0.000 2.283 12.468) 12.676 7.570 ( 0.000 -6.795 -1.003) 6.869 7.570 ( 0.000 -6.795 1.003) 6.869 7.776 ( 0.000 1.537 -1.660) 2.262 7.776 ( 0.000 1.537 1.660) 2.262 20.054 ( 0.000 -1.423 -1.331) 1.948 20.054 ( 0.000 -1.423 1.331) 1.948 20.218 ( 0.000 0.090 -0.329) 0.341 20.218 ( 0.000 0.090 0.329) 0.341 20.321 ( 0.000 1.808 -0.663) 1.926 20.321 ( 0.000 1.808 0.663) 1.926 20.409 ( 0.000 1.496 -0.242) 1.515 20.409 ( 0.000 1.496 0.242) 1.515 24.395 ( 0.000 -0.109 -0.085) 0.138 24.395 ( 0.000 -0.109 0.085) 0.138 25.481 ( 0.000 -0.100 -0.106) 0.146 25.481 ( 0.000 -0.100 0.106) 0.146 31.746 ( 0.000 -0.815 -0.543) 0.979 31.746 ( 0.000 -0.815 0.543) 0.979 31.801 ( 0.000 -0.963 -0.156) 0.976 31.801 ( 0.000 -0.963 0.156) 0.976 42.530 ( 0.000 2.955 -2.061) 3.602 42.530 ( 0.000 2.955 2.061) 3.602 42.778 ( 0.000 0.894 -3.140) 3.265 42.778 ( 0.000 0.894 3.140) 3.265 43.748 ( 0.000 -3.481 -9.847) 10.444 43.748 ( 0.000 -3.481 9.847) 10.444 45.860 ( 0.000 0.756 -6.315) 6.360 45.860 ( 0.000 0.756 6.315) 6.360 ======================= Grid point 371 (112/120) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.885 11.133 -11.493) 16.025 2.492 ( 0.885 11.133 11.493) 16.025 2.711 ( 1.886 6.828 -10.002) 12.256 2.711 ( 1.886 6.828 10.002) 12.256 3.190 ( -1.852 -5.058 -4.942) 7.311 3.190 ( -1.852 -5.058 4.942) 7.311 3.550 ( -3.404 -3.179 -0.966) 4.757 3.550 ( -3.404 -3.179 0.966) 4.757 3.851 ( 10.154 -5.305 -3.700) 12.039 3.851 ( 10.154 -5.305 3.700) 12.039 4.467 ( 4.150 7.974 -4.703) 10.145 4.467 ( 4.150 7.974 4.703) 10.145 4.654 ( 2.122 6.053 -5.466) 8.427 4.654 ( 2.122 6.053 5.466) 8.427 4.932 ( 2.827 -4.128 -5.169) 7.194 4.932 ( 2.827 -4.128 5.169) 7.194 4.989 ( 3.862 5.712 -1.618) 7.082 4.989 ( 3.862 5.712 1.618) 7.082 5.360 ( 1.283 3.147 -1.412) 3.680 5.360 ( 1.283 3.147 1.412) 3.680 5.396 ( 0.059 -0.398 -5.325) 5.341 5.396 ( 0.059 -0.398 5.325) 5.341 6.010 ( 3.346 0.931 -1.952) 3.984 6.010 ( 3.346 0.931 1.952) 3.984 6.514 ( -0.381 11.450 -1.809) 11.599 6.514 ( -0.381 11.450 1.809) 11.599 6.698 ( -4.696 -5.235 -1.642) 7.222 6.698 ( -4.696 -5.235 1.642) 7.222 6.922 ( -1.473 3.283 -1.307) 3.828 6.922 ( -1.473 3.283 1.307) 3.828 7.312 ( -2.378 2.322 -11.559) 12.027 7.312 ( -2.378 2.322 11.559) 12.027 7.530 ( -3.596 -5.885 -1.072) 6.980 7.530 ( -3.596 -5.885 1.072) 6.980 7.743 ( -3.062 0.985 -1.431) 3.521 7.743 ( -3.062 0.985 1.431) 3.521 20.060 ( 0.489 -1.337 -1.316) 1.939 20.060 ( 0.489 -1.337 1.316) 1.939 20.205 ( -1.080 -0.030 -0.325) 1.128 20.205 ( -1.080 -0.030 0.325) 1.128 20.331 ( 0.766 1.975 -0.621) 2.207 20.331 ( 0.766 1.975 0.621) 2.207 20.405 ( -0.314 1.464 -0.138) 1.503 20.405 ( -0.314 1.464 0.138) 1.503 24.451 ( 5.184 -0.162 -0.029) 5.187 24.451 ( 5.184 -0.162 0.029) 5.187 25.452 ( -2.789 -0.100 -0.123) 2.794 25.452 ( -2.789 -0.100 0.123) 2.794 31.748 ( 0.174 -0.792 -0.533) 0.970 31.748 ( 0.174 -0.792 0.533) 0.970 31.796 ( -0.442 -0.898 -0.157) 1.013 31.796 ( -0.442 -0.898 0.157) 1.013 42.609 ( 7.235 3.169 -1.812) 8.104 42.609 ( 7.235 3.169 1.812) 8.104 42.826 ( 4.811 0.963 -3.058) 5.781 42.826 ( 4.811 0.963 3.058) 5.781 43.709 ( -3.695 -3.487 -9.524) 10.795 43.709 ( -3.695 -3.487 9.524) 10.795 45.693 ( -15.446 1.500 -5.354) 16.417 45.693 ( -15.446 1.500 5.354) 16.417 ======================= Grid point 373 (113/120) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 2.868 7.774 -7.671) 11.291 2.527 ( 2.868 7.774 7.671) 11.291 2.767 ( 3.331 4.596 -9.593) 11.147 2.767 ( 3.331 4.596 9.593) 11.147 3.135 ( -3.365 -1.763 -3.519) 5.179 3.135 ( -3.365 -1.763 3.519) 5.179 3.442 ( -7.531 -0.230 -2.710) 8.007 3.442 ( -7.531 -0.230 2.710) 8.007 4.091 ( 12.456 -3.760 -3.006) 13.354 4.091 ( 12.456 -3.760 3.006) 13.354 4.586 ( 5.289 13.425 -4.280) 15.051 4.586 ( 5.289 13.425 4.280) 15.051 4.766 ( 9.127 4.666 -5.133) 11.463 4.766 ( 9.127 4.666 5.133) 11.463 5.011 ( 4.461 -4.902 -3.210) 7.364 5.011 ( 4.461 -4.902 3.210) 7.364 5.069 ( 3.428 5.399 -1.781) 6.639 5.069 ( 3.428 5.399 1.781) 6.639 5.393 ( 0.963 -3.304 -0.926) 3.564 5.393 ( 0.963 -3.304 0.926) 3.564 5.402 ( 1.533 -3.242 -3.718) 5.166 5.402 ( 1.533 -3.242 3.718) 5.166 6.115 ( 6.197 1.303 -1.966) 6.630 6.115 ( 6.197 1.303 1.966) 6.630 6.496 ( -3.117 8.671 -2.273) 9.491 6.496 ( -3.117 8.671 2.273) 9.491 6.550 ( -7.395 -0.920 -1.018) 7.522 6.550 ( -7.395 -0.920 1.018) 7.522 6.893 ( -1.032 3.385 -1.402) 3.807 6.893 ( -1.032 3.385 1.402) 3.807 7.243 ( -4.214 2.313 -8.197) 9.502 7.243 ( -4.214 2.313 8.197) 9.502 7.435 ( -4.824 -3.714 -1.789) 6.345 7.435 ( -4.824 -3.714 1.789) 6.345 7.652 ( -5.339 -0.132 -0.927) 5.420 7.652 ( -5.339 -0.132 0.927) 5.420 20.074 ( 0.781 -1.019 -1.220) 1.771 20.074 ( 0.781 -1.019 1.220) 1.771 20.179 ( -1.305 -0.350 -0.397) 1.408 20.179 ( -1.305 -0.350 0.397) 1.408 20.348 ( 0.810 2.254 -0.574) 2.463 20.348 ( 0.810 2.254 0.574) 2.463 20.397 ( -0.416 1.404 -0.268) 1.489 20.397 ( -0.416 1.404 0.268) 1.489 24.602 ( 8.900 -0.253 -0.078) 8.904 24.602 ( 8.900 -0.253 0.078) 8.904 25.364 ( -5.568 -0.112 -0.134) 5.571 25.364 ( -5.568 -0.112 0.134) 5.571 31.753 ( 0.254 -0.714 -0.509) 0.913 31.753 ( 0.254 -0.714 0.509) 0.913 31.785 ( -0.568 -0.787 -0.247) 1.001 31.785 ( -0.568 -0.787 0.247) 1.001 42.797 ( 9.267 3.001 -1.165) 9.810 42.797 ( 9.267 3.001 1.165) 9.810 43.011 ( 13.747 2.093 -1.607) 13.998 43.011 ( 13.747 2.093 1.607) 13.998 43.599 ( -6.469 -3.671 -8.653) 11.410 43.599 ( -6.469 -3.671 8.653) 11.410 45.244 ( -26.279 2.952 -3.166) 26.633 45.244 ( -26.279 2.952 3.166) 26.633 ======================= Grid point 375 (114/120) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 6.681 5.490 -3.824) 9.455 2.627 ( 6.681 5.490 3.824) 9.455 2.836 ( 2.260 1.766 -8.632) 9.096 2.836 ( 2.260 1.766 8.632) 9.096 3.056 ( -3.438 2.580 -2.235) 4.845 3.056 ( -3.438 2.580 2.235) 4.845 3.247 ( -9.885 -0.664 -5.411) 11.288 3.247 ( -9.885 -0.664 5.411) 11.288 4.361 ( 12.650 1.729 -2.198) 12.955 4.361 ( 12.650 1.729 2.198) 12.955 4.654 ( 1.064 15.620 -5.520) 16.601 4.654 ( 1.064 15.620 5.520) 16.601 4.919 ( 2.789 4.831 -0.921) 5.653 4.919 ( 2.789 4.831 0.921) 5.653 5.031 ( -1.948 -0.075 -4.546) 4.946 5.031 ( -1.948 -0.075 4.546) 4.946 5.249 ( 12.014 -3.410 -3.669) 13.016 5.249 ( 12.014 -3.410 3.669) 13.016 5.409 ( 0.533 -5.816 -1.824) 6.119 5.409 ( 0.533 -5.816 1.824) 6.119 5.478 ( 7.654 -7.003 -7.899) 13.039 5.478 ( 7.654 -7.003 7.899) 13.039 6.149 ( -10.445 0.121 -2.735) 10.798 6.149 ( -10.445 0.121 2.735) 10.798 6.369 ( 1.882 0.753 -2.643) 3.330 6.369 ( 1.882 0.753 2.643) 3.330 6.509 ( -0.623 8.894 -0.990) 8.971 6.509 ( -0.623 8.894 0.990) 8.971 6.890 ( 1.139 4.157 -0.785) 4.381 6.890 ( 1.139 4.157 0.785) 4.381 7.125 ( -7.076 2.046 -3.609) 8.203 7.125 ( -7.076 2.046 3.609) 8.203 7.363 ( -1.471 -1.207 -2.726) 3.324 7.363 ( -1.471 -1.207 2.726) 3.324 7.536 ( -5.183 -1.106 -0.631) 5.337 7.536 ( -5.183 -1.106 0.631) 5.337 20.090 ( 0.744 -0.345 -0.913) 1.227 20.090 ( 0.744 -0.345 0.913) 1.227 20.154 ( -1.009 -0.945 -0.449) 1.454 20.154 ( -1.009 -0.945 0.449) 1.454 20.364 ( 0.645 2.271 -0.559) 2.426 20.364 ( 0.645 2.271 0.559) 2.426 20.388 ( -0.429 1.491 -0.498) 1.630 20.388 ( -0.429 1.491 0.498) 1.630 24.810 ( 10.450 -0.276 -0.122) 10.454 24.810 ( 10.450 -0.276 0.122) 10.454 25.219 ( -8.129 -0.155 -0.111) 8.132 25.219 ( -8.129 -0.155 0.111) 8.132 31.758 ( 0.232 -0.566 -0.445) 0.756 31.758 ( 0.232 -0.566 0.445) 0.756 31.774 ( -0.411 -0.782 -0.331) 0.943 31.774 ( -0.411 -0.782 0.331) 0.943 42.977 ( 7.997 2.875 -3.081) 9.039 42.977 ( 7.997 2.875 3.081) 9.039 43.369 ( 10.271 3.163 -3.169) 11.205 43.369 ( 10.271 3.163 3.169) 11.205 43.487 ( 5.613 -3.466 -6.796) 9.471 43.487 ( 5.613 -3.466 6.796) 9.471 44.635 ( -30.564 3.726 -1.009) 30.807 44.635 ( -30.564 3.726 1.009) 30.807 ======================= Grid point 377 (115/120) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -0.000 4.055 0.000) 4.055 2.780 ( -0.000 4.055 0.000) 4.055 2.791 ( 0.000 3.578 -0.000) 3.578 2.791 ( 0.000 3.578 0.000) 3.578 3.047 ( 0.000 1.216 -0.000) 1.216 3.047 ( 0.000 1.216 0.000) 1.216 3.099 ( 0.000 -0.297 -0.000) 0.297 3.099 ( 0.000 -0.297 0.000) 0.297 4.563 ( 0.000 11.031 -0.000) 11.031 4.563 ( 0.000 11.031 0.000) 11.031 4.617 ( -0.000 8.909 -0.000) 8.909 4.617 ( -0.000 8.909 0.000) 8.909 4.923 ( -0.000 3.983 -0.000) 3.983 4.923 ( 0.000 3.983 0.000) 3.983 5.009 ( 0.000 -0.990 -0.000) 0.990 5.009 ( 0.000 -0.990 0.000) 0.990 5.382 ( 0.000 -6.667 -0.000) 6.667 5.382 ( 0.000 -6.667 0.000) 6.667 5.398 ( -0.000 -6.750 -0.000) 6.750 5.398 ( 0.000 -6.750 0.000) 6.750 5.786 ( -0.000 -2.563 -0.000) 2.563 5.786 ( -0.000 -2.563 0.000) 2.563 5.806 ( 0.000 -3.465 -0.000) 3.465 5.806 ( 0.000 -3.465 0.000) 3.465 6.453 ( 0.000 7.392 0.000) 7.392 6.453 ( 0.000 7.392 0.000) 7.392 6.484 ( -0.000 4.362 -0.000) 4.362 6.484 ( 0.000 4.362 0.000) 4.362 6.942 ( -0.000 3.976 -0.000) 3.976 6.942 ( 0.000 3.976 0.000) 3.976 6.997 ( 0.000 2.366 -0.000) 2.366 6.997 ( 0.000 2.366 0.000) 2.366 7.359 ( -0.000 0.018 -0.000) 0.018 7.359 ( 0.000 0.018 0.000) 0.018 7.469 ( 0.000 -1.747 0.000) 1.747 7.469 ( 0.000 -1.747 0.000) 1.747 20.100 ( 0.000 0.362 0.000) 0.362 20.100 ( 0.000 0.362 0.000) 0.362 20.142 ( 0.000 -1.599 -0.000) 1.599 20.142 ( 0.000 -1.599 0.000) 1.599 20.373 ( 0.000 2.079 -0.000) 2.079 20.373 ( 0.000 2.079 0.000) 2.079 20.381 ( -0.000 1.696 -0.000) 1.696 20.381 ( -0.000 1.696 0.000) 1.696 25.025 ( -0.000 -0.106 0.000) 0.106 25.025 ( -0.000 -0.106 -0.000) 0.106 25.030 ( 0.000 -0.344 0.000) 0.344 25.030 ( 0.000 -0.344 -0.000) 0.344 31.761 ( 0.000 -0.366 -0.000) 0.366 31.761 ( 0.000 -0.366 0.000) 0.366 31.769 ( 0.000 -0.927 -0.000) 0.927 31.769 ( 0.000 -0.927 0.000) 0.927 43.092 ( -0.000 4.888 0.000) 4.888 43.092 ( 0.000 4.888 0.000) 4.888 43.317 ( -0.000 -5.080 0.000) 5.080 43.317 ( 0.000 -5.080 -0.000) 5.080 43.932 ( 0.000 6.060 0.000) 6.060 43.932 ( 0.000 6.060 0.000) 6.060 44.055 ( -0.000 1.146 -0.000) 1.146 44.055 ( 0.000 1.146 0.000) 1.146 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 0.000 -0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 -0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 -0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 -0.000 -0.000) 0.000 4.762 ( 0.000 -0.000 0.000) 0.000 4.798 ( 0.000 0.000 -0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 -0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 -0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 -0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 -0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 -0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 -0.000 -0.000) 0.000 7.430 ( 0.000 0.000 -0.000) 0.000 7.444 ( 0.000 -0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 20.041 ( 0.000 0.000 0.000) 0.000 20.041 ( 0.000 0.000 0.000) 0.000 20.219 ( 0.000 0.000 0.000) 0.000 20.219 ( 0.000 0.000 0.000) 0.000 20.338 ( 0.000 0.000 -0.000) 0.000 20.338 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 24.394 ( 0.000 0.000 0.000) 0.000 24.394 ( 0.000 0.000 0.000) 0.000 25.480 ( 0.000 0.000 0.000) 0.000 25.480 ( 0.000 0.000 0.000) 0.000 31.738 ( 0.000 0.000 0.000) 0.000 31.738 ( 0.000 0.000 0.000) 0.000 31.791 ( 0.000 0.000 0.000) 0.000 31.791 ( 0.000 0.000 0.000) 0.000 42.552 ( 0.000 0.000 0.000) 0.000 42.552 ( 0.000 0.000 0.000) 0.000 42.797 ( 0.000 0.000 -0.000) 0.000 42.797 ( 0.000 0.000 0.000) 0.000 43.707 ( 0.000 0.000 -0.000) 0.000 43.707 ( 0.000 0.000 0.000) 0.000 45.872 ( 0.000 0.000 -0.000) 0.000 45.872 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 391 (117/120) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -1.346 -0.000 0.000) 1.346 2.620 ( -1.346 0.000 0.000) 1.346 2.782 ( 1.259 -0.000 0.000) 1.259 2.782 ( 1.259 -0.000 0.000) 1.259 3.127 ( -0.648 0.000 -0.000) 0.648 3.127 ( -0.648 0.000 0.000) 0.648 3.509 ( 0.320 0.000 0.000) 0.320 3.509 ( 0.320 0.000 0.000) 0.320 3.795 ( 8.597 0.000 -0.000) 8.597 3.795 ( 8.597 0.000 0.000) 8.597 4.524 ( 5.355 0.000 0.000) 5.355 4.524 ( 5.355 0.000 0.000) 5.355 4.805 ( 3.873 -0.000 -0.000) 3.873 4.805 ( 3.873 -0.000 0.000) 3.873 4.814 ( 1.631 0.000 -0.000) 1.631 4.814 ( 1.631 0.000 0.000) 1.631 5.043 ( 3.811 0.000 -0.000) 3.811 5.043 ( 3.811 0.000 0.000) 3.811 5.382 ( 0.299 0.000 0.000) 0.299 5.382 ( 0.299 0.000 0.000) 0.299 5.426 ( -3.046 0.000 -0.000) 3.046 5.426 ( -3.046 0.000 0.000) 3.046 6.017 ( 3.372 0.000 0.000) 3.372 6.017 ( 3.372 0.000 0.000) 3.372 6.629 ( -0.324 0.000 -0.000) 0.324 6.629 ( -0.324 0.000 0.000) 0.324 6.637 ( -3.501 -0.000 -0.000) 3.501 6.637 ( -3.501 -0.000 0.000) 3.501 6.943 ( -1.729 0.000 -0.000) 1.729 6.943 ( -1.729 0.000 0.000) 1.729 7.406 ( -3.487 -0.000 -0.000) 3.487 7.406 ( -3.487 0.000 -0.000) 3.487 7.411 ( -1.656 -0.000 0.000) 1.656 7.411 ( -1.656 0.000 0.000) 1.656 7.755 ( -3.493 0.000 0.000) 3.493 7.755 ( -3.493 0.000 0.000) 3.493 20.047 ( 0.571 0.000 0.000) 0.571 20.047 ( 0.571 0.000 0.000) 0.571 20.205 ( -1.184 0.000 0.000) 1.184 20.205 ( -1.184 0.000 0.000) 1.184 20.349 ( 0.907 0.000 -0.000) 0.907 20.349 ( 0.907 0.000 0.000) 0.907 20.422 ( -0.344 0.000 0.000) 0.344 20.422 ( -0.344 0.000 0.000) 0.344 24.449 ( 5.143 0.000 0.000) 5.143 24.449 ( 5.143 0.000 0.000) 5.143 25.451 ( -2.790 0.000 -0.000) 2.790 25.451 ( -2.790 0.000 0.000) 2.790 31.740 ( 0.197 0.000 0.000) 0.197 31.740 ( 0.197 0.000 0.000) 0.197 31.787 ( -0.384 0.000 -0.000) 0.384 31.787 ( -0.384 -0.000 0.000) 0.384 42.632 ( 7.224 0.000 -0.000) 7.224 42.632 ( 7.224 0.000 0.000) 7.224 42.848 ( 5.118 0.000 0.000) 5.118 42.848 ( 5.118 0.000 0.000) 5.118 43.667 ( -3.732 0.000 -0.000) 3.732 43.667 ( -3.732 0.000 0.000) 3.732 45.712 ( -14.831 0.000 0.000) 14.831 45.712 ( -14.831 0.000 0.000) 14.831 ======================= Grid point 395 (118/120) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 1.025 0.000 0.000) 1.025 2.609 ( 1.025 0.000 0.000) 1.025 2.818 ( 2.006 0.000 -0.000) 2.006 2.818 ( 2.006 -0.000 0.000) 2.006 3.105 ( -1.398 0.000 -0.000) 1.398 3.105 ( -1.398 0.000 0.000) 1.398 3.445 ( -6.905 0.000 0.000) 6.905 3.445 ( -6.905 0.000 0.000) 6.905 4.044 ( 14.458 0.000 -0.000) 14.458 4.044 ( 14.458 0.000 0.000) 14.458 4.719 ( 11.824 0.000 0.000) 11.824 4.719 ( 11.824 0.000 0.000) 11.824 4.876 ( 4.911 -0.000 -0.000) 4.911 4.876 ( 4.911 -0.000 0.000) 4.911 4.906 ( 5.143 0.000 -0.000) 5.143 4.906 ( 5.143 0.000 0.000) 5.143 5.133 ( 4.264 -0.000 -0.000) 4.264 5.133 ( 4.264 0.000 0.000) 4.264 5.319 ( -5.305 0.000 0.000) 5.305 5.319 ( -5.305 0.000 -0.000) 5.305 5.401 ( 0.097 0.000 0.000) 0.097 5.401 ( 0.097 0.000 0.000) 0.097 6.126 ( 6.659 0.000 0.000) 6.659 6.126 ( 6.659 0.000 0.000) 6.659 6.502 ( -9.435 0.000 -0.000) 9.435 6.502 ( -9.435 0.000 0.000) 9.435 6.619 ( -0.627 0.000 0.000) 0.627 6.619 ( -0.627 0.000 0.000) 0.627 6.915 ( -0.591 0.000 -0.000) 0.591 6.915 ( -0.591 0.000 0.000) 0.591 7.302 ( -6.282 0.000 -0.000) 6.282 7.302 ( -6.282 0.000 -0.000) 6.282 7.374 ( -1.529 0.000 0.000) 1.529 7.374 ( -1.529 0.000 0.000) 1.529 7.653 ( -5.997 0.000 0.000) 5.997 7.653 ( -5.997 0.000 0.000) 5.997 20.063 ( 0.997 0.000 0.000) 0.997 20.063 ( 0.997 0.000 0.000) 0.997 20.175 ( -1.507 0.000 -0.000) 1.507 20.175 ( -1.507 0.000 0.000) 1.507 20.370 ( 0.937 0.000 0.000) 0.937 20.370 ( 0.937 0.000 -0.000) 0.937 20.413 ( -0.450 -0.000 0.000) 0.450 20.413 ( -0.450 0.000 0.000) 0.450 24.600 ( 8.870 0.000 0.000) 8.870 24.600 ( 8.870 0.000 0.000) 8.870 25.363 ( -5.579 0.000 -0.000) 5.579 25.363 ( -5.579 0.000 0.000) 5.579 31.745 ( 0.300 0.000 0.000) 0.300 31.745 ( 0.300 0.000 0.000) 0.300 31.777 ( -0.520 0.000 -0.000) 0.520 31.777 ( -0.520 -0.000 0.000) 0.520 42.816 ( 9.126 0.000 -0.000) 9.126 42.816 ( 9.126 0.000 0.000) 9.126 43.045 ( 14.687 0.000 0.000) 14.687 43.045 ( 14.687 0.000 0.000) 14.687 43.555 ( -6.805 0.000 -0.000) 6.805 43.555 ( -6.805 0.000 0.000) 6.805 45.277 ( -25.658 0.000 0.000) 25.658 45.277 ( -25.658 0.000 0.000) 25.658 ======================= Grid point 399 (119/120) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 5.920 0.000 -0.000) 5.920 2.682 ( 5.920 0.000 0.000) 5.920 2.856 ( 1.226 0.000 0.000) 1.226 2.856 ( 1.226 0.000 0.000) 1.226 3.073 ( -1.422 0.000 -0.000) 1.422 3.073 ( -1.422 0.000 0.000) 1.422 3.245 ( -10.770 -0.000 -0.000) 10.770 3.245 ( -10.770 -0.000 0.000) 10.770 4.373 ( 16.152 0.000 -0.000) 16.152 4.373 ( 16.152 0.000 0.000) 16.152 4.865 ( 0.597 -0.000 -0.000) 0.597 4.865 ( 0.597 0.000 0.000) 0.597 4.983 ( -0.356 -0.000 -0.000) 0.356 4.983 ( -0.356 -0.000 0.000) 0.356 4.990 ( 2.195 0.000 -0.000) 2.195 4.990 ( 2.195 0.000 0.000) 2.195 5.218 ( 4.034 0.000 -0.000) 4.034 5.218 ( 4.034 -0.000 0.000) 4.034 5.310 ( 5.862 0.000 -0.000) 5.862 5.310 ( 5.862 0.000 0.000) 5.862 5.418 ( 5.683 0.000 0.000) 5.683 5.418 ( 5.683 0.000 0.000) 5.683 6.146 ( -12.698 0.000 -0.000) 12.698 6.146 ( -12.698 0.000 0.000) 12.698 6.378 ( 5.158 0.000 -0.000) 5.158 6.378 ( 5.158 0.000 0.000) 5.158 6.598 ( -1.699 0.000 0.000) 1.699 6.598 ( -1.699 0.000 0.000) 1.699 6.925 ( 1.696 0.000 -0.000) 1.696 6.925 ( 1.696 0.000 0.000) 1.696 7.150 ( -7.874 0.000 -0.000) 7.874 7.150 ( -7.874 0.000 0.000) 7.874 7.362 ( 0.751 0.000 -0.000) 0.751 7.362 ( 0.751 0.000 0.000) 0.751 7.520 ( -6.149 -0.000 0.000) 6.149 7.520 ( -6.149 0.000 0.000) 6.149 20.087 ( 1.228 0.000 0.000) 1.228 20.087 ( 1.228 0.000 0.000) 1.228 20.144 ( -1.459 0.000 -0.000) 1.459 20.144 ( -1.459 0.000 0.000) 1.459 20.386 ( 0.625 0.000 0.000) 0.625 20.386 ( 0.625 0.000 0.000) 0.625 20.404 ( -0.379 -0.000 0.000) 0.379 20.404 ( -0.379 0.000 0.000) 0.379 24.807 ( 10.460 -0.000 0.000) 10.460 24.807 ( 10.460 0.000 0.000) 10.460 25.218 ( -8.158 0.000 -0.000) 8.158 25.218 ( -8.158 0.000 0.000) 8.158 31.752 ( 0.316 0.000 0.000) 0.316 31.752 ( 0.316 0.000 0.000) 0.316 31.767 ( -0.440 -0.000 0.000) 0.440 31.767 ( -0.440 0.000 0.000) 0.440 43.004 ( 8.976 0.000 0.000) 8.976 43.004 ( 8.976 0.000 0.000) 8.976 43.389 ( -8.735 0.000 -0.000) 8.735 43.389 ( -8.735 0.000 0.000) 8.735 43.462 ( 24.259 0.000 -0.000) 24.259 43.462 ( 24.259 0.000 0.000) 24.259 44.676 ( -30.516 0.000 0.000) 30.516 44.676 ( -30.516 0.000 0.000) 30.516 ======================= Grid point 403 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -5.465 -0.033 0.000) 5.465 2.824 ( -5.465 -0.033 0.000) 5.466 2.824 ( 5.465 0.033 -0.000) 5.466 2.824 ( 5.465 0.033 0.000) 5.466 3.076 ( -2.431 -1.093 0.000) 2.666 3.076 ( -2.431 -1.093 0.000) 2.666 3.076 ( 2.431 1.093 0.000) 2.666 3.076 ( 2.431 1.093 0.000) 2.666 4.695 ( -13.455 -0.303 0.000) 13.459 4.695 ( -13.455 -0.303 0.000) 13.459 4.695 ( 13.455 0.303 -0.000) 13.459 4.695 ( 13.455 0.303 0.000) 13.459 4.994 ( -0.391 -2.214 -0.000) 2.249 4.994 ( -0.391 -2.214 0.000) 2.249 4.994 ( 0.391 2.214 0.000) 2.249 4.994 ( 0.391 2.214 0.000) 2.249 5.300 ( -3.092 -0.341 -0.000) 3.110 5.300 ( -3.092 -0.341 0.000) 3.110 5.300 ( 3.092 0.341 -0.000) 3.110 5.300 ( 3.092 0.341 0.000) 3.110 5.768 ( -20.273 -0.028 -0.000) 20.273 5.768 ( -20.273 -0.028 0.000) 20.273 5.768 ( 20.273 0.028 -0.000) 20.273 5.768 ( 20.273 0.028 0.000) 20.273 6.525 ( -5.699 -0.054 -0.000) 5.699 6.525 ( -5.699 -0.054 0.000) 5.699 6.525 ( 5.699 0.054 0.000) 5.699 6.525 ( 5.699 0.054 0.000) 5.699 6.999 ( -4.797 -0.953 0.000) 4.891 6.999 ( -4.797 -0.953 0.000) 4.891 6.999 ( 4.797 0.953 -0.000) 4.891 6.999 ( 4.797 0.953 0.000) 4.891 7.412 ( -1.752 -3.503 -0.000) 3.916 7.412 ( -1.752 -3.503 0.000) 3.916 7.412 ( 1.752 3.503 -0.000) 3.916 7.412 ( 1.752 3.503 0.000) 3.917 20.114 ( -0.700 -0.950 0.000) 1.180 20.114 ( -0.700 -0.950 0.000) 1.180 20.114 ( 0.700 0.950 -0.000) 1.180 20.114 ( 0.700 0.950 0.000) 1.180 20.397 ( -0.271 -0.144 0.000) 0.307 20.397 ( -0.271 -0.144 0.000) 0.307 20.397 ( 0.271 0.144 0.000) 0.307 20.397 ( 0.271 0.144 0.000) 0.307 25.025 ( -10.017 -0.003 -0.000) 10.017 25.025 ( -10.017 -0.003 0.000) 10.017 25.025 ( 10.017 0.003 -0.000) 10.017 25.025 ( 10.017 0.003 0.000) 10.017 31.759 ( -0.234 -0.130 -0.000) 0.268 31.759 ( -0.234 -0.130 0.000) 0.268 31.759 ( 0.234 0.130 -0.000) 0.268 31.759 ( 0.234 0.130 0.000) 0.268 43.197 ( -5.715 -4.790 -0.000) 7.457 43.197 ( -5.715 -4.790 0.000) 7.457 43.197 ( 5.715 4.790 0.000) 7.457 43.197 ( 5.715 4.790 0.000) 7.457 44.035 ( -28.898 -0.764 0.000) 28.908 44.035 ( -28.898 -0.764 0.000) 28.908 44.035 ( 28.898 0.764 -0.000) 28.908 44.035 ( 28.898 0.764 0.000) 28.908 =================== 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 3/28800 10.0 1676.061 2113.289 1085.578 0.000 0.000 0.000 3/28800 20.0 388.081 480.927 359.910 0.000 0.000 0.000 3/28800 30.0 117.134 141.635 110.824 0.000 0.000 0.000 3/28800 40.0 51.190 60.973 48.165 0.000 0.000 0.000 3/28800 50.0 29.364 34.748 27.538 0.000 0.000 0.000 3/28800 60.0 19.938 23.506 18.601 0.000 0.000 0.000 3/28800 70.0 15.023 17.672 13.916 0.000 0.000 0.000 3/28800 80.0 12.095 14.209 11.114 0.000 0.000 0.000 3/28800 90.0 10.171 11.943 9.273 0.000 0.000 0.000 3/28800 100.0 8.813 10.348 7.976 0.000 0.000 0.000 3/28800 110.0 7.802 9.161 7.015 0.000 0.000 0.000 3/28800 120.0 7.016 8.241 6.273 0.000 0.000 0.000 3/28800 130.0 6.387 7.504 5.682 0.000 0.000 0.000 3/28800 140.0 5.870 6.898 5.199 0.000 0.000 0.000 3/28800 150.0 5.438 6.391 4.797 0.000 0.000 0.000 3/28800 160.0 5.070 5.958 4.456 0.000 0.000 0.000 3/28800 170.0 4.754 5.584 4.164 0.000 0.000 0.000 3/28800 180.0 4.478 5.258 3.910 0.000 0.000 0.000 3/28800 190.0 4.237 4.970 3.687 0.000 0.000 0.000 3/28800 200.0 4.025 4.715 3.490 0.000 0.000 0.000 3/28800 210.0 3.836 4.487 3.315 0.000 0.000 0.000 3/28800 220.0 3.668 4.281 3.158 0.000 0.000 0.000 3/28800 230.0 3.517 4.095 3.016 0.000 0.000 0.000 3/28800 240.0 3.382 3.927 2.888 0.000 0.000 0.000 3/28800 250.0 3.261 3.773 2.771 0.000 0.000 0.000 3/28800 260.0 3.151 3.632 2.665 0.000 0.000 -0.000 3/28800 270.0 3.052 3.503 2.567 0.000 0.000 -0.000 3/28800 280.0 2.963 3.384 2.478 0.000 0.000 -0.000 3/28800 290.0 2.882 3.274 2.395 0.000 0.000 -0.000 3/28800 300.0 2.809 3.173 2.319 0.000 0.000 -0.000 3/28800 310.0 2.742 3.079 2.249 0.000 0.000 -0.000 3/28800 320.0 2.681 2.991 2.183 0.000 0.000 -0.000 3/28800 330.0 2.626 2.909 2.122 0.000 0.000 -0.000 3/28800 340.0 2.576 2.833 2.066 0.000 0.000 -0.000 3/28800 350.0 2.530 2.762 2.013 0.000 0.000 -0.000 3/28800 360.0 2.488 2.696 1.963 0.000 0.000 -0.000 3/28800 370.0 2.449 2.633 1.916 0.000 0.000 -0.000 3/28800 380.0 2.414 2.574 1.873 0.000 0.000 -0.000 3/28800 390.0 2.381 2.519 1.832 0.000 0.000 -0.000 3/28800 400.0 2.351 2.466 1.793 0.000 0.000 -0.000 3/28800 410.0 2.323 2.417 1.756 0.000 0.000 -0.000 3/28800 420.0 2.297 2.370 1.722 0.000 0.000 -0.000 3/28800 430.0 2.273 2.326 1.689 0.000 0.000 -0.000 3/28800 440.0 2.251 2.283 1.658 0.000 0.000 -0.000 3/28800 450.0 2.229 2.243 1.628 0.000 0.000 -0.000 3/28800 460.0 2.209 2.205 1.600 0.000 0.000 -0.000 3/28800 470.0 2.191 2.168 1.573 0.000 0.000 -0.000 3/28800 480.0 2.173 2.133 1.547 0.000 0.000 -0.000 3/28800 490.0 2.156 2.100 1.522 0.000 0.000 -0.000 3/28800 500.0 2.140 2.068 1.499 0.000 0.000 -0.000 3/28800 510.0 2.124 2.037 1.476 0.000 0.000 -0.000 3/28800 520.0 2.109 2.007 1.454 0.000 0.000 -0.000 3/28800 530.0 2.095 1.979 1.434 0.000 0.000 -0.000 3/28800 540.0 2.081 1.951 1.413 0.000 0.000 -0.000 3/28800 550.0 2.068 1.925 1.394 0.000 0.000 -0.000 3/28800 560.0 2.055 1.899 1.375 0.000 0.000 -0.000 3/28800 570.0 2.042 1.875 1.357 0.000 0.000 -0.000 3/28800 580.0 2.030 1.851 1.340 0.000 0.000 -0.000 3/28800 590.0 2.018 1.828 1.323 0.000 0.000 -0.000 3/28800 600.0 2.006 1.805 1.307 0.000 0.000 -0.000 3/28800 610.0 1.994 1.783 1.291 0.000 0.000 -0.000 3/28800 620.0 1.983 1.762 1.275 0.000 0.000 -0.000 3/28800 630.0 1.971 1.742 1.260 0.000 0.000 -0.000 3/28800 640.0 1.960 1.722 1.246 0.000 0.000 -0.000 3/28800 650.0 1.949 1.702 1.232 0.000 0.000 -0.000 3/28800 660.0 1.938 1.684 1.218 0.000 0.000 -0.000 3/28800 670.0 1.927 1.665 1.205 0.000 0.000 -0.000 3/28800 680.0 1.916 1.647 1.192 0.000 0.000 -0.000 3/28800 690.0 1.906 1.630 1.179 0.000 0.000 -0.000 3/28800 700.0 1.895 1.613 1.166 0.000 0.000 -0.000 3/28800 710.0 1.885 1.596 1.154 0.000 0.000 -0.000 3/28800 720.0 1.874 1.580 1.143 0.000 0.000 -0.000 3/28800 730.0 1.864 1.564 1.131 0.000 0.000 -0.000 3/28800 740.0 1.854 1.548 1.120 0.000 0.000 -0.000 3/28800 750.0 1.844 1.533 1.109 0.000 0.000 -0.000 3/28800 760.0 1.834 1.518 1.098 0.000 0.000 -0.000 3/28800 770.0 1.824 1.504 1.087 0.000 0.000 -0.000 3/28800 780.0 1.814 1.489 1.077 0.000 0.000 -0.000 3/28800 790.0 1.804 1.475 1.067 0.000 0.000 -0.000 3/28800 800.0 1.794 1.462 1.057 0.000 0.000 -0.000 3/28800 810.0 1.784 1.448 1.047 0.000 0.000 -0.000 3/28800 820.0 1.774 1.435 1.038 0.000 0.000 -0.000 3/28800 830.0 1.764 1.422 1.028 0.000 0.000 -0.000 3/28800 840.0 1.755 1.409 1.019 0.000 0.000 -0.000 3/28800 850.0 1.745 1.397 1.010 0.000 0.000 -0.000 3/28800 860.0 1.736 1.385 1.001 0.000 0.000 -0.000 3/28800 870.0 1.726 1.373 0.993 0.000 0.000 -0.000 3/28800 880.0 1.717 1.361 0.984 0.000 0.000 -0.000 3/28800 890.0 1.707 1.349 0.976 0.000 0.000 -0.000 3/28800 900.0 1.698 1.338 0.968 0.000 0.000 -0.000 3/28800 910.0 1.689 1.327 0.959 0.000 0.000 -0.000 3/28800 920.0 1.679 1.316 0.952 0.000 0.000 -0.000 3/28800 930.0 1.670 1.305 0.944 0.000 0.000 -0.000 3/28800 940.0 1.661 1.294 0.936 0.000 0.000 -0.000 3/28800 950.0 1.652 1.284 0.928 0.000 0.000 -0.000 3/28800 960.0 1.643 1.274 0.921 0.000 0.000 -0.000 3/28800 970.0 1.634 1.264 0.914 0.000 0.000 -0.000 3/28800 980.0 1.625 1.254 0.907 0.000 0.000 -0.000 3/28800 990.0 1.617 1.244 0.899 0.000 0.000 -0.000 3/28800 1000.0 1.608 1.234 0.893 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m8106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|